| 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 | 30.8 | Very low | 48.3 | Very low | 244 Ų | 244 | 115.5 Ų | 115.5 | 100% | 1.202 | 64% | 0.642 | S | S | * | * | 0 | 121.4 | 0 | -81.7 | 170.9 | 160.5 | 0 | 0 | 106.7 | |||||
| 2 | E | 20.7 | Very low | 50.4 | Low | 175 Ų | 175 | 115.3 Ų | 115.3 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | trans | -78.5 | 164.1 | 165 | -65.6 | 174.3 | 136.7 | 0 | 0 | 109.1 | I4 | E2-I4 PolarHBondContact O-N 3.38Š| ||
| 3 | P | 24.6 | Very low | 52.9 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 84% | 0.844 | 63% | 0.625 | S | S | * | * | trans | -65.6 | 116.3 | 174.3 | -15.7 | 30.5 | 0 | 0 | 0 | 109.8 | G5 | P3-G5 PolarHBondContact O-N 3.4Š| ||
| 4 | I | 30.7 | Very low | 54.7 | Low | 139 Ų | 139 | 112.4 Ų | 112.4 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | trans | -67.7 | 114.6 | 168.6 | -61.8 | 171.1 | 0 | 0 | 0 | 106.8 | E2 L7 | E2-I4 PolarHBondContact O-N 3.38Å; I4-L7 HydrophobicContact CG2-CD1 3.91Å | ||
| 5 | G | 31.6 | Very low | 56 | Low | 55 Ų | 55 | 111.7 Ų | 111.7 | 57% | 0.567 | 61% | 0.607 | S | S | * | * | trans | -60.3 | 160.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P3 L7 | P3-G5 PolarHBondContact O-N 3.4Å; G5-L7 PolarHBondContact O-N 2.86Å; G5-L7 VanDerWaalsContact O-N 3.17Å | ||
| 6 | D | 41.7 | Very low | 56.4 | Low | 101 Ų | 101 | 109.4 Ų | 109.4 | 54% | 0.54 | 60% | 0.602 | S | S | . | * | trans | -54.7 | 120.3 | -178.7 | -84.8 | -21 | 0 | 0 | 0 | 111.7 | Q8 H38 K42 | D6-Q8 PolarHBondContact O-N 3.12Å; D6-H38 IonicContact OD1-CE1 3.24Å; D6-H38 PolarHBondContact OD1-CE1 3.41Å; D6-H38 VanDerWaalsContact OD1-CE1 3.25Å; D6-H38 IonicContact OD1-NE2 3.93Å; D6-H38 PolarHBondContact OD1-NE2 3.21Å; D6-K42 IonicContact OD1-NZ 2.96Å; D6-K42 PolarHBondContact OD1-NZ 3.42Å; D6-K42 IonicContact OD2-NZ 3.03Å; D6-K42 PolarHBondContact OD2-NZ 3.33Å | ||
| 7 | L | 54.9 | Low | 56.7 | Low | 59 Ų | 59 | 107.9 Ų | 107.9 | 31% | 0.309 | 62% | 0.618 | S | S | . | * | trans | -68.6 | 93.6 | 175.2 | -87.4 | 80.9 | 0 | 0 | 0 | 109.5 | I4 G5 V9 D34 | I4-L7 HydrophobicContact CG2-CD1 3.91Å; G5-L7 PolarHBondContact O-N 2.86Å; G5-L7 VanDerWaalsContact O-N 3.17Å; L7-V9 PolarHBondContact O-N 3.44Å; L7-V9 VanDerWaalsContact O-N 3.16Å; L7-D34 HydrophobicContact CD2-CB 4.09Å | ||
| 8 | Q | 60.2 | Low | 57.1 | Low | 189 Ų | 189 | 105.9 Ų | 105.9 | 88% | 0.883 | 63% | 0.625 | S | S | * | * | trans | -69.5 | 108.3 | 169.9 | -68.6 | -167.6 | -1.6 | 0 | 0 | 109.9 | D6 | D6-Q8 PolarHBondContact O-N 3.12Š| ||
| 9 | V | 76.2 | Confident | 57.9 | Low | 23 Ų | 23 | 103 Ų | 103 | 14% | 0.139 | 61% | 0.608 | C | S | . | * | trans | -105.7 | 133.3 | 173 | 170.2 | 0 | 0 | 0 | 0 | 108.7 | L7 S11 A24 P26 F35 | L7-V9 PolarHBondContact O-N 3.44Å; L7-V9 VanDerWaalsContact O-N 3.16Å; V9-S11 PolarHBondContact O-N 3.39Å; V9-S11 PolarHBondContact O-OG 2.95Å; V9-A24 HydrophobicContact CG1-CB 4.01Å; V9-P26 HydrophobicContact CG1-CB 4.19Å; V9-P26 HydrophobicContact CG1-CG 3.93Å; V9-P26 HydrophobicContact CG2-CB 4.31Å; V9-F35 HydrophobicContact CB-CD2 3.97Å; V9-F35 HydrophobicContact CB-CE2 4Å; V9-F35 HydrophobicContact CB-CG 4.45Å; V9-F35 HydrophobicContact CG2-CB 4Å; V9-F35 HydrophobicContact CG2-CD2 3.45Å; V9-F35 VanDerWaalsContact CG2-CD2 3.45Å; V9-F35 HydrophobicContact CG2-CE2 4.02Å; V9-F35 HydrophobicContact CG2-CG 3.76Å | ||
| 10 | P | 79.1 | Confident | 58.8 | Low | 78 Ų | 78 | 100.8 Ų | 100.8 | 51% | 0.506 | 60% | 0.595 | S | S | . | * | trans | -51.8 | 123.8 | 172.2 | -26.5 | 34.7 | 0 | 0 | 0 | 110.8 | A24 S25 | P10-A24 WeakPolarHBondContact O-CA 3.49Å; P10-S25 PolarHBondContact O-N 3.29Å | ||
| 11 | S | 81.1 | Confident | 59.9 | Low | 78 Ų | 78 | 96.5 Ų | 96.5 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -148.4 | 149.5 | -177.2 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | V9 Y23 | V9-S11 PolarHBondContact O-N 3.39Å; V9-S11 PolarHBondContact O-OG 2.95Å; S11-Y23 CarbonylContact C-O 3.55Å; S11-Y23 WeakPolarHBondContact CA-O 3.34Å; S11-Y23 WeakPolarHBondContact CB-O 3.16Å |
| 12 | F | 73.7 | Confident | 62.5 | Low | 113 Ų | 113 | 85.6 Ų | 85.6 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156 | 178.3 | 64.1 | -86.5 | 0 | 0 | 0 | 110.1 | V14 T22 Y23 | F12-V14 HydrophobicContact CD2-CG2 3.77Å; F12-V14 HydrophobicContact CE2-CG2 3.65Å; F12-T22 WeakPolarHBondContact O-CA 3.38Å; F12-Y23 HydrophobicContact CD2-CD2 4.32Å; F12-Y23 HydrophobicContact CE1-CG 4.26Å; F12-Y23 AromaticContact CE2-CD2 3.73Å; F12-Y23 HydrophobicContact CE2-CD2 3.73Å; F12-Y23 AromaticContact CE2-CG 3.87Å; F12-Y23 HydrophobicContact CE2-CG 3.87Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.29Å; F12-Y23 HydrophobicContact CZ-CD2 4.05Å; F12-Y23 AromaticContact CZ-CG 3.68Å; F12-Y23 HydrophobicContact CZ-CG 3.68Å; F12-Y23 PolarHBondContact N-O 2.94Å; F12-Y23 PolarHBondContact O-N 3.1Å |
| 13 | K | 82.2 | Confident | 65.5 | Low | 129 Ų | 129 | 79.6 Ų | 79.6 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 135.3 | 179.5 | -60.7 | -153.9 | 179.2 | -149.3 | 0 | 111.5 | T20 F21 T22 E144 | K13-T20 HydrophobicContact CB-CG2 4.22Å; K13-T20 HydrophobicContact CD-CG2 3.91Å; K13-F21 CarbonylContact C-O 3.6Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.35Å; K13-T22 WeakPolarHBondContact CD-OG1 3.49Å; K13-T22 WeakPolarHBondContact CE-OG1 3.43Å; K13-T22 HydrophobicContact CG-CG2 4.19Å; K13-T22 PolarHBondContact NZ-OG1 2.83Å; K13-E144 IonicContact NZ-OE1 3.06Å; K13-E144 PolarHBondContact NZ-OE1 3.38Å |
| 14 | V | 78.5 | Confident | 68.4 | Low | 60 Ų | 60 | 73.5 Ų | 73.5 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.5 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | F12 F21 Y23 | F12-V14 HydrophobicContact CD2-CG2 3.77Å; F12-V14 HydrophobicContact CE2-CG2 3.65Å; V14-F21 PolarHBondContact N-O 3.03Å; V14-F21 PolarHBondContact O-N 2.85Å; V14-Y23 HydrophobicContact CB-CE2 4.16Å; V14-Y23 HydrophobicContact CG2-CD2 4.06Å; V14-Y23 HydrophobicContact CG2-CE2 3.99Å |
| 15 | V | 73.4 | Confident | 70.9 | Confident | 103 Ų | 103 | 68.6 Ų | 68.6 | 62% | 0.624 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122 | 173 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | T19 T20 | V15-T19 WeakPolarHBondContact CA-O 3.34Å; V15-T20 HydrophobicContact CG2-CG2 4.45Å |
| 16 | S | 63.3 | Low | 73.4 | Confident | 75 Ų | 75 | 66 Ų | 66 | 52% | 0.524 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 133.7 | 177.3 | -173.1 | 0 | 0 | 0 | 0 | 110.1 | G18 T19 | S16-G18 PolarHBondContact O-N 3.49Å; S16-G18 VanDerWaalsContact O-N 3.11Å; S16-T19 PolarHBondContact N-O 2.68Å; S16-T19 PolarHBondContact O-N 3.17Å |
| 17 | G | 61.6 | Low | 75 | Confident | 84 Ų | 84 | 68.9 Ų | 68.9 | 87% | 0.866 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 25.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T19 | G17-T19 VanDerWaalsContact C-N 3.26Å; G17-T19 PolarHBondContact O-N 2.82Å |
| 18 | G | 64.2 | Low | 76.1 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 74% | 0.742 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -1.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S16 | S16-G18 PolarHBondContact O-N 3.49Å; S16-G18 VanDerWaalsContact O-N 3.11Å |
| 19 | T | 71.7 | Confident | 76.9 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 31% | 0.307 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 138.6 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | V15 S16 G17 F21 M145 | V15-T19 WeakPolarHBondContact CA-O 3.34Å; S16-T19 PolarHBondContact N-O 2.68Å; S16-T19 PolarHBondContact O-N 3.17Å; G17-T19 VanDerWaalsContact C-N 3.26Å; G17-T19 PolarHBondContact O-N 2.82Å; T19-F21 HydrophobicContact CG2-CD2 4.47Å; T19-F21 HydrophobicContact CG2-CE2 3.93Å; T19-F21 HydrophobicContact CG2-CZ 4.09Å; T19-M145 HydrophobicContact CG2-CB 4.41Å; T19-M145 HydrophobicContact CG2-CE 4.27Å; T19-M145 HydrophobicContact CG2-CG 3.46Å; T19-M145 VanDerWaalsContact CG2-CG 3.46Å |
| 20 | T | 75.6 | Confident | 77 | Confident | 58 Ų | 58 | 61.9 Ų | 61.9 | 36% | 0.356 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.3 | 175.2 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | K13 V15 M145 | K13-T20 HydrophobicContact CB-CG2 4.22Å; K13-T20 HydrophobicContact CD-CG2 3.91Å; V15-T20 HydrophobicContact CG2-CG2 4.45Å; T20-M145 PolarHBondContact O-N 2.81Å |
| 21 | F | 82.3 | Confident | 77 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 5% | 0.053 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.3 | 173 | -65.3 | -92.6 | 0 | 0 | 0 | 109.6 | K13 V14 T19 Y23 F129 L133 M145 V147 | K13-F21 CarbonylContact C-O 3.6Å; K13-F21 VanDerWaalsContact CA-O 3.29Å; K13-F21 WeakPolarHBondContact CA-O 3.35Å; V14-F21 PolarHBondContact N-O 3.03Å; V14-F21 PolarHBondContact O-N 2.85Å; T19-F21 HydrophobicContact CG2-CD2 4.47Å; T19-F21 HydrophobicContact CG2-CE2 3.93Å; T19-F21 HydrophobicContact CG2-CZ 4.09Å; F21-Y23 HydrophobicContact CB-CD2 4.15Å; F21-Y23 HydrophobicContact CB-CE2 3.58Å; F21-Y23 HydrophobicContact CG-CE2 4.44Å; F21-F129 HydrophobicContact CE1-CZ 4.4Å; F21-L133 HydrophobicContact CE1-CD1 4.4Å; F21-L133 HydrophobicContact CE1-CD2 3.71Å; F21-L133 HydrophobicContact CZ-CD1 3.96Å; F21-L133 HydrophobicContact CZ-CD2 3.7Å; F21-M145 CarbonylContact C-O 3.54Å; F21-M145 WeakPolarHBondContact CA-O 3.26Å; F21-M145 HydrophobicContact CD1-CB 3.37Å; F21-M145 HydrophobicContact CD1-CG 3.94Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.61Å; F21-M145 HydrophobicContact CE1-SD 4.36Å; F21-M145 HydrophobicContact CG-CB 4.02Å; F21-M145 HydrophobicContact CZ-CB 4.39Å; F21-M145 HydrophobicContact CZ-CG 4.05Å; F21-V147 HydrophobicContact CD1-CG2 4.2Å |
| 22 | T | 86.3 | Confident | 77.2 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 9% | 0.086 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116 | 165.3 | -50.8 | 0 | 0 | 0 | 0 | 107.7 | F12 K13 M145 L146 V147 | F12-T22 WeakPolarHBondContact O-CA 3.38Å; K13-T22 WeakPolarHBondContact CD-OG1 3.49Å; K13-T22 WeakPolarHBondContact CE-OG1 3.43Å; K13-T22 HydrophobicContact CG-CG2 4.19Å; K13-T22 PolarHBondContact NZ-OG1 2.83Å; T22-M145 PolarHBondContact N-O 3.24Å; T22-L146 HydrophobicContact CG2-CD1 4.13Å; T22-L146 CarbonylContact O-C 3.5Å; T22-L146 WeakPolarHBondContact O-CA 3.1Å; T22-V147 PolarHBondContact O-N 3.27Å |
| 23 | Y | 82.6 | Confident | 77.8 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.1 | 169.9 | -70.6 | -98 | 0 | 0 | 0 | 108.3 | S11 F12 V14 F21 V147 T149 | S11-Y23 CarbonylContact C-O 3.55Å; S11-Y23 WeakPolarHBondContact CA-O 3.34Å; S11-Y23 WeakPolarHBondContact CB-O 3.16Å; F12-Y23 HydrophobicContact CD2-CD2 4.32Å; F12-Y23 HydrophobicContact CE1-CG 4.26Å; F12-Y23 AromaticContact CE2-CD2 3.73Å; F12-Y23 HydrophobicContact CE2-CD2 3.73Å; F12-Y23 AromaticContact CE2-CG 3.87Å; F12-Y23 HydrophobicContact CE2-CG 3.87Å; F12-Y23 VanDerWaalsContact CZ-CB 3.46Å; F12-Y23 HydrophobicContact CZ-CD1 4.29Å; F12-Y23 HydrophobicContact CZ-CD2 4.05Å; F12-Y23 AromaticContact CZ-CG 3.68Å; F12-Y23 HydrophobicContact CZ-CG 3.68Å; F12-Y23 PolarHBondContact N-O 2.94Å; F12-Y23 PolarHBondContact O-N 3.1Å; V14-Y23 HydrophobicContact CB-CE2 4.16Å; V14-Y23 HydrophobicContact CG2-CD2 4.06Å; V14-Y23 HydrophobicContact CG2-CE2 3.99Å; F21-Y23 HydrophobicContact CB-CD2 4.15Å; F21-Y23 HydrophobicContact CB-CE2 3.58Å; F21-Y23 HydrophobicContact CG-CE2 4.44Å; Y23-V147 WeakPolarHBondContact CA-O 3.37Å; Y23-V147 HydrophobicContact CD1-CB 3.64Å; Y23-V147 HydrophobicContact CD1-CG1 3.59Å; Y23-V147 HydrophobicContact CD1-CG2 4.23Å; Y23-V147 HydrophobicContact CE1-CB 3.8Å; Y23-V147 HydrophobicContact CE1-CG1 3.62Å; Y23-V147 HydrophobicContact CE1-CG2 3.91Å; Y23-V147 HydrophobicContact CG-CB 4.19Å; Y23-T149 HydrophobicContact CD1-CG2 4.35Å |
| 24 | A | 85.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V9 P10 P26 F35 L146 V147 T149 | V9-A24 HydrophobicContact CG1-CB 4.01Å; P10-A24 WeakPolarHBondContact O-CA 3.49Å; A24-P26 WeakPolarHBondContact O-CD 3.4Å; A24-F35 HydrophobicContact CB-CE1 3.82Å; A24-F35 HydrophobicContact CB-CZ 4.01Å; A24-L146 HydrophobicContact CB-CD1 4.16Å; A24-V147 PolarHBondContact N-O 3.37Å; A24-T149 PolarHBondContact O-N 2.89Å; A24-T149 PolarHBondContact O-OG1 2.86Å; A24-T149 VanDerWaalsContact O-OG1 3.09Å |
| 25 | S | 83.6 | Confident | 78.3 | Confident | 37 Ų | 37 | 47.9 Ų | 47.9 | 26% | 0.259 | 32% | 0.322 | S | S | . | . | trans | -118.9 | 83.3 | -176.2 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | P10 T149 | P10-S25 PolarHBondContact O-N 3.29Å; S25-T149 WeakPolarHBondContact CA-OG1 3.49Å; S25-T149 PolarHBondContact OG-OG1 2.98Å | ||
| 26 | P | 83.3 | Confident | 79 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | trans | -72.9 | 141.3 | 177.4 | -10.4 | 28.1 | 0 | 0 | 0 | 110.4 | V9 A24 S28 A31 S32 F35 I148 C151 | V9-P26 HydrophobicContact CG1-CB 4.19Å; V9-P26 HydrophobicContact CG1-CG 3.93Å; V9-P26 HydrophobicContact CG2-CB 4.31Å; A24-P26 WeakPolarHBondContact O-CD 3.4Å; P26-S28 PolarHBondContact O-N 3Å; P26-A31 HydrophobicContact CB-CB 4.1Å; P26-S32 WeakPolarHBondContact CB-OG 3.49Å; P26-S32 WeakPolarHBondContact CG-OG 3.27Å; P26-F35 HydrophobicContact CG-CD1 4.35Å; P26-I148 HydrophobicContact CG-CG2 4.07Å; P26-C151 VanDerWaalsContact O-CB 3.29Å; P26-C151 WeakPolarHBondContact O-CB 3.37Å; P26-C151 PolarHBondContact O-SG 3.26Å | ||
| 27 | K | 75.5 | Confident | 80.1 | Confident | 161 Ų | 161 | 39.6 Ų | 39.6 | 70% | 0.7 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -64.8 | -12.9 | -168.7 | -64.6 | -167 | 174.1 | -162.8 | 0 | 116.6 | C151 | K27-C151 WeakPolarHBondContact O-CB 3.22Š|
| 28 | S | 78.3 | Confident | 81.2 | Confident | 26 Ų | 26 | 37.2 Ų | 37.2 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -160.2 | 163.2 | 178.6 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | P26 A30 A31 S32 E153 | P26-S28 PolarHBondContact O-N 3Å; S28-A30 PolarHBondContact O-N 3.21Å; S28-A31 PolarHBondContact O-N 3.11Å; S28-A31 PolarHBondContact OG-N 3.25Å; S28-S32 PolarHBondContact O-N 2.84Å; S28-S32 PolarHBondContact O-OG 2.95Å; S28-E153 WeakPolarHBondContact CB-OE1 3.44Å |
| 29 | G | 77.5 | Confident | 82.2 | Confident | 46 Ų | 46 | 34.6 Ų | 34.6 | 47% | 0.474 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58 | -30.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L33 | G29-L33 WeakPolarHBondContact O-CG 3.37Å; G29-L33 PolarHBondContact O-N 3.48Å |
| 30 | A | 78.4 | Confident | 82.8 | Confident | 52 Ų | 52 | 33.2 Ų | 33.2 | 43% | 0.43 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.1 | -48.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S28 S32 L33 D34 | S28-A30 PolarHBondContact O-N 3.21Å; A30-S32 PolarHBondContact O-N 3.06Å; A30-L33 PolarHBondContact O-N 3.1Å; A30-L33 VanDerWaalsContact O-N 3.09Å; A30-D34 PolarHBondContact O-N 2.84Å |
| 31 | A | 79.5 | Confident | 83.1 | Confident | 27 Ų | 27 | 37 Ų | 37 | 22% | 0.223 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -33.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P26 S28 D34 F35 | P26-A31 HydrophobicContact CB-CB 4.1Å; S28-A31 PolarHBondContact O-N 3.11Å; S28-A31 PolarHBondContact OG-N 3.25Å; A31-D34 PolarHBondContact O-N 3.45Å; A31-F35 WeakPolarHBondContact O-CB 3.46Å; A31-F35 PolarHBondContact O-N 3.3Å |
| 32 | S | 83.9 | Confident | 82.7 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 173.6 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | P26 S28 A30 L36 | P26-S32 WeakPolarHBondContact CB-OG 3.49Å; P26-S32 WeakPolarHBondContact CG-OG 3.27Å; S28-S32 PolarHBondContact O-N 2.84Å; S28-S32 PolarHBondContact O-OG 2.95Å; A30-S32 PolarHBondContact O-N 3.06Å; S32-L36 WeakPolarHBondContact O-CB 3.48Å; S32-L36 PolarHBondContact O-N 3.1Å |
| 33 | L | 87.9 | Confident | 81.9 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.4 | -33.7 | 179 | -67.1 | 164.8 | 0 | 0 | 0 | 112 | G29 A30 A37 L63 E66 R70 | G29-L33 WeakPolarHBondContact O-CG 3.37Å; G29-L33 PolarHBondContact O-N 3.48Å; A30-L33 PolarHBondContact O-N 3.1Å; A30-L33 VanDerWaalsContact O-N 3.09Å; L33-A37 VanDerWaalsContact O-CB 3.26Å; L33-A37 WeakPolarHBondContact O-CB 3.1Å; L33-A37 PolarHBondContact O-N 3.25Å; L33-L63 HydrophobicContact CD2-CD1 3.76Å; L33-E66 HydrophobicContact CD1-CB 3.99Å; L33-E66 HydrophobicContact CD1-CG 3.99Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.49Å; L33-E66 HydrophobicContact CD2-CB 3.89Å; L33-E66 HydrophobicContact CD2-CG 4.46Å; L33-R70 VanDerWaalsContact CB-CZ 3.46Å |
| 34 | D | 84.1 | Confident | 80.5 | Confident | 69 Ų | 69 | 49 Ų | 49 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -72.4 | -41.6 | 176 | -64.4 | -23.6 | 0 | 0 | 0 | 111.8 | L7 A30 A31 A37 H38 R70 | L7-D34 HydrophobicContact CD2-CB 4.09Å; A30-D34 PolarHBondContact O-N 2.84Å; A31-D34 PolarHBondContact O-N 3.45Å; D34-A37 PolarHBondContact O-N 2.77Å; D34-H38 WeakPolarHBondContact O-CB 3.33Å; D34-H38 PolarHBondContact O-N 3.4Å; D34-R70 IonicContact OD1-CZ 3.21Å; D34-R70 IonicContact OD1-NE 3.76Å; D34-R70 PolarHBondContact OD1-NE 3.07Å; D34-R70 IonicContact OD1-NH2 3.72Å |
| 35 | F | 85.9 | Confident | 79.1 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 170.2 | 172.3 | -108.4 | 0 | 0 | 0 | 111 | V9 A24 P26 A31 A37 H38 T39 L146 I148 | V9-F35 HydrophobicContact CB-CD2 3.97Å; V9-F35 HydrophobicContact CB-CE2 4Å; V9-F35 HydrophobicContact CB-CG 4.45Å; V9-F35 HydrophobicContact CG2-CB 4Å; V9-F35 HydrophobicContact CG2-CD2 3.45Å; V9-F35 VanDerWaalsContact CG2-CD2 3.45Å; V9-F35 HydrophobicContact CG2-CE2 4.02Å; V9-F35 HydrophobicContact CG2-CG 3.76Å; A24-F35 HydrophobicContact CB-CE1 3.82Å; A24-F35 HydrophobicContact CB-CZ 4.01Å; P26-F35 HydrophobicContact CG-CD1 4.35Å; A31-F35 WeakPolarHBondContact O-CB 3.46Å; A31-F35 PolarHBondContact O-N 3.3Å; F35-A37 PolarHBondContact O-N 3.28Å; F35-H38 WeakPolarHBondContact O-CB 3.05Å; F35-H38 PolarHBondContact O-N 2.79Å; F35-H38 VanDerWaalsContact O-N 3.14Å; F35-T39 PolarHBondContact O-N 3.29Å; F35-T39 PolarHBondContact O-OG1 3.38Å; F35-L146 HydrophobicContact CE1-CD2 4.35Å; F35-I148 HydrophobicContact CD1-CD1 4.24Å; F35-I148 HydrophobicContact CE1-CD1 4.5Å |
| 36 | L | 88.3 | Confident | 77.6 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 178.1 | -175.9 | 60.1 | 0 | 0 | 0 | 112.1 | S32 T39 L40 L52 L63 L67 I119 T121 I148 | S32-L36 WeakPolarHBondContact O-CB 3.48Å; S32-L36 PolarHBondContact O-N 3.1Å; L36-T39 PolarHBondContact O-N 2.96Å; L36-L40 HydrophobicContact CD1-CD1 4.18Å; L36-L40 HydrophobicContact CD1-CG 4.43Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 VanDerWaalsContact O-CG 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.44Å; L36-L40 PolarHBondContact O-N 3.11Å; L36-L52 HydrophobicContact CD1-CD2 3.78Å; L36-L52 HydrophobicContact CD2-CD2 4.04Å; L36-L52 HydrophobicContact CG-CD2 4.3Å; L36-L63 HydrophobicContact CD2-CD1 3.75Å; L36-L67 HydrophobicContact CD2-CD1 4.23Å; L36-L67 HydrophobicContact CD2-CD2 4.18Å; L36-L67 HydrophobicContact CG-CD2 4.12Å; L36-I119 HydrophobicContact CD1-CD1 3.55Å; L36-I119 HydrophobicContact CD1-CG2 3.9Å; L36-T121 HydrophobicContact CD2-CG2 3.9Å; L36-I148 HydrophobicContact CB-CD1 4.15Å; L36-I148 HydrophobicContact CD1-CD1 4.02Å; L36-I148 HydrophobicContact CG-CD1 4.47Å |
| 37 | A | 87.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L33 D34 F35 R41 L67 R70 V72 | L33-A37 VanDerWaalsContact O-CB 3.26Å; L33-A37 WeakPolarHBondContact O-CB 3.1Å; L33-A37 PolarHBondContact O-N 3.25Å; D34-A37 PolarHBondContact O-N 2.77Å; F35-A37 PolarHBondContact O-N 3.28Å; A37-R41 WeakPolarHBondContact O-CB 3.28Å; A37-R41 VanDerWaalsContact O-CG 3.28Å; A37-R41 WeakPolarHBondContact O-CG 3.43Å; A37-R41 PolarHBondContact O-N 3.04Å; A37-L67 HydrophobicContact CB-CD2 4.1Å; A37-R70 HydrophobicContact CB-CB 3.81Å; A37-R70 HydrophobicContact CB-CG 4.46Å; A37-V72 HydrophobicContact CB-CG2 3.9Å |
| 38 | H | 84.3 | Confident | 76.2 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 173 | 177.8 | 99.7 | 0 | 0 | 0 | 111.6 | D6 D34 F35 L40 R41 K42 | D6-H38 IonicContact OD1-CE1 3.24Å; D6-H38 PolarHBondContact OD1-CE1 3.41Å; D6-H38 VanDerWaalsContact OD1-CE1 3.25Å; D6-H38 IonicContact OD1-NE2 3.93Å; D6-H38 PolarHBondContact OD1-NE2 3.21Å; D34-H38 WeakPolarHBondContact O-CB 3.33Å; D34-H38 PolarHBondContact O-N 3.4Å; F35-H38 WeakPolarHBondContact O-CB 3.05Å; F35-H38 PolarHBondContact O-N 2.79Å; F35-H38 VanDerWaalsContact O-N 3.14Å; H38-L40 VanDerWaalsContact C-N 3.32Å; H38-L40 PolarHBondContact O-N 3.43Å; H38-R41 PolarHBondContact O-N 3.26Å; H38-R41 VanDerWaalsContact O-N 3.12Å; H38-K42 WeakPolarHBondContact NE2-CD 3.24Å; H38-K42 WeakPolarHBondContact O-CB 3.34Å; H38-K42 PolarHBondContact O-N 3.24Å |
| 39 | T | 84.4 | Confident | 76.4 | Confident | 17 Ų | 17 | 57 Ų | 57 | 10% | 0.104 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.1 | -44.4 | 176.3 | -54.9 | 0 | 0 | 0 | 0 | 112 | F35 L36 R41 K42 R43 L117 L146 | F35-T39 PolarHBondContact O-N 3.29Å; F35-T39 PolarHBondContact O-OG1 3.38Å; L36-T39 PolarHBondContact O-N 2.96Å; T39-R41 VanDerWaalsContact C-N 3.34Å; T39-R41 PolarHBondContact O-N 2.76Å; T39-K42 PolarHBondContact O-N 2.73Å; T39-R43 PolarHBondContact O-N 3.03Å; T39-L117 HydrophobicContact CG2-CD2 4.4Å; T39-L146 HydrophobicContact CG2-CD2 4.29Å |
| 40 | L | 85.6 | Confident | 76.9 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -74.7 | -18.2 | 179.7 | -66.9 | 170.7 | 0 | 0 | 0 | 114 | L36 H38 T50 L52 L67 V72 A99 I119 | L36-L40 HydrophobicContact CD1-CD1 4.18Å; L36-L40 HydrophobicContact CD1-CG 4.43Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 VanDerWaalsContact O-CG 3.26Å; L36-L40 WeakPolarHBondContact O-CG 3.44Å; L36-L40 PolarHBondContact O-N 3.11Å; H38-L40 VanDerWaalsContact C-N 3.32Å; H38-L40 PolarHBondContact O-N 3.43Å; L40-T50 HydrophobicContact CD2-CG2 3.75Å; L40-L52 HydrophobicContact CD1-CD1 4.01Å; L40-L52 HydrophobicContact CD1-CD2 4.23Å; L40-L67 HydrophobicContact CD1-CD1 3.9Å; L40-L67 HydrophobicContact CD1-CD2 4.19Å; L40-V72 HydrophobicContact CB-CG1 3.82Å; L40-V72 HydrophobicContact CD1-CG1 3.87Å; L40-V72 HydrophobicContact CG-CG1 4.48Å; L40-A99 HydrophobicContact CD2-CB 3.89Å; L40-I119 HydrophobicContact CD2-CD1 4.23Å |
| 41 | R | 80.9 | Confident | 77.5 | Confident | 138 Ų | 138 | 52.7 Ų | 52.7 | 52% | 0.521 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -91.1 | -27.3 | 171.8 | -70.5 | -172.1 | -138.4 | 114.2 | -11.6 | 113.4 | A37 H38 T39 R70 V72 | A37-R41 WeakPolarHBondContact O-CB 3.28Å; A37-R41 VanDerWaalsContact O-CG 3.28Å; A37-R41 WeakPolarHBondContact O-CG 3.43Å; A37-R41 PolarHBondContact O-N 3.04Å; H38-R41 PolarHBondContact O-N 3.26Å; H38-R41 VanDerWaalsContact O-N 3.12Å; T39-R41 VanDerWaalsContact C-N 3.34Å; T39-R41 PolarHBondContact O-N 2.76Å; R41-R70 PolarHBondContact NE-O 3.26Å; R41-R70 PolarHBondContact NH2-O 2.91Å; R41-V72 HydrophobicContact CG-CG2 3.9Å |
| 42 | K | 75 | Confident | 78.1 | Confident | 126 Ų | 126 | 51.4 Ų | 51.4 | 55% | 0.548 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -80.8 | -25.6 | -177.2 | -170.3 | 165.3 | -174.3 | 170.5 | 0 | 113 | D6 H38 T39 | D6-K42 IonicContact OD1-NZ 2.96Å; D6-K42 PolarHBondContact OD1-NZ 3.42Å; D6-K42 IonicContact OD2-NZ 3.03Å; D6-K42 PolarHBondContact OD2-NZ 3.33Å; H38-K42 WeakPolarHBondContact NE2-CD 3.24Å; H38-K42 WeakPolarHBondContact O-CB 3.34Å; H38-K42 PolarHBondContact O-N 3.24Å; T39-K42 PolarHBondContact O-N 2.73Å |
| 43 | R | 68 | Low | 78.4 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -83.9 | 139.8 | 169.7 | -71.3 | 167.2 | 179 | -104.7 | 8.7 | 109.8 | T39 A45 E48 E144 | T39-R43 PolarHBondContact O-N 3.03Å; R43-A45 PolarHBondContact O-N 3.4Å; R43-A45 VanDerWaalsContact O-N 3.17Å; R43-E48 WeakPolarHBondContact CD-OE2 3.41Å; R43-E48 VanDerWaalsContact CG-OE2 3.28Å; R43-E48 WeakPolarHBondContact CG-OE2 3.17Å; R43-E48 IonicContact CZ-OE2 2.68Å; R43-E48 IonicContact NE-OE2 2.77Å; R43-E48 IonicContact NH1-OE1 3.24Å; R43-E48 IonicContact NH1-OE2 3.65Å; R43-E48 PolarHBondContact NH1-OE2 2.91Å; R43-E144 IonicContact CZ-OE2 3.07Å; R43-E144 IonicContact NH1-OE2 2.7Å; R43-E144 IonicContact NH2-OE2 2.68Å; R43-E144 PolarHBondContact NH2-OE2 3.06Å |
| 44 | E | 54.5 | Low | 78.6 | Confident | 138 Ų | 138 | 49.6 Ų | 49.6 | 65% | 0.645 | 25% | 0.246 | S | C | * | . | trans | -68.8 | 112.1 | -177 | -79.1 | -171.1 | 162.1 | 0 | 0 | 111.5 | N46 T47 E48 | E44-N46 PolarHBondContact O-N 2.92Å; E44-T47 WeakPolarHBondContact CB-OG1 3.28Å; E44-T47 PolarHBondContact O-N 3.1Å; E44-T47 VanDerWaalsContact O-N 3.1Å; E44-T47 PolarHBondContact O-OG1 2.78Å; E44-T47 PolarHBondContact OE2-OG1 2.97Å; E44-E48 PolarHBondContact O-N 2.79Å | ||
| 45 | A | 54.5 | Low | 78.8 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 55% | 0.554 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 29.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | R43 N97 | R43-A45 PolarHBondContact O-N 3.4Å; R43-A45 VanDerWaalsContact O-N 3.17Å; A45-N97 WeakPolarHBondContact O-CB 3.31Å |
| 46 | N | 52.8 | Low | 78.8 | Confident | 130 Ų | 130 | 52.4 Ų | 52.4 | 70% | 0.695 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.1 | -9.5 | 172.5 | -78.9 | -37.9 | 0 | 0 | 0 | 113.5 | E44 N97 | E44-N46 PolarHBondContact O-N 2.92Å; N46-N97 PolarHBondContact OD1-ND2 3.41Å |
| 47 | T | 57.6 | Low | 78.6 | Confident | 89 Ų | 89 | 54.2 Ų | 54.2 | 55% | 0.546 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -29.5 | -173.4 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | E44 | E44-T47 WeakPolarHBondContact CB-OG1 3.28Å; E44-T47 PolarHBondContact O-N 3.1Å; E44-T47 VanDerWaalsContact O-N 3.1Å; E44-T47 PolarHBondContact O-OG1 2.78Å; E44-T47 PolarHBondContact OE2-OG1 2.97Å |
| 48 | E | 70.6 | Confident | 78.4 | Confident | 66 Ų | 66 | 60.1 Ų | 60.1 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | trans | -107.9 | 122 | 179.5 | -67.1 | -170 | -173.8 | 0 | 0 | 114 | R43 E44 T50 N116 | R43-E48 WeakPolarHBondContact CD-OE2 3.41Å; R43-E48 VanDerWaalsContact CG-OE2 3.28Å; R43-E48 WeakPolarHBondContact CG-OE2 3.17Å; R43-E48 IonicContact CZ-OE2 2.68Å; R43-E48 IonicContact NE-OE2 2.77Å; R43-E48 IonicContact NH1-OE1 3.24Å; R43-E48 IonicContact NH1-OE2 3.65Å; R43-E48 PolarHBondContact NH1-OE2 2.91Å; E44-E48 PolarHBondContact O-N 2.79Å; E48-T50 PolarHBondContact O-N 3.06Å; E48-N116 HydrophobicContact CB-CB 4.22Å; E48-N116 HydrophobicContact CG-CB 4.36Å | ||
| 49 | K | 83.3 | Confident | 78.6 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 19% | 0.187 | 29% | 0.292 | C | S | . | . | trans | -84.6 | 106.8 | 174 | -68.9 | 171.1 | -169.4 | 165.6 | 0 | 110.1 | W91 S92 E114 N116 L117 | K49-W91 HydrophobicContact CB-CH2 3.74Å; K49-W91 HydrophobicContact CB-CZ2 3.82Å; K49-W91 HydrophobicContact CB-CZ3 4.46Å; K49-W91 HydrophobicContact CG-CH2 4.47Å; K49-W91 HydrophobicContact CG-CZ2 4.44Å; K49-S92 PolarHBondContact NZ-O 3.13Å; K49-E114 WeakPolarHBondContact CD-O 3.5Å; K49-E114 IonicContact NZ-OE2 3.09Å; K49-N116 PolarHBondContact N-OD1 3.13Å; K49-N116 PolarHBondContact O-N 3.38Å; K49-L117 PolarHBondContact O-N 3.38Å | ||
| 50 | T | 88.1 | Confident | 78.7 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 133.3 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | L40 E48 A99 L100 L117 I119 | L40-T50 HydrophobicContact CD2-CG2 3.75Å; E48-T50 PolarHBondContact O-N 3.06Å; T50-A99 HydrophobicContact CG2-CB 4.4Å; T50-A99 WeakPolarHBondContact O-CA 3.48Å; T50-L100 PolarHBondContact O-N 2.85Å; T50-L117 WeakPolarHBondContact CA-O 3.47Å; T50-L117 HydrophobicContact CG2-CB 4.19Å; T50-L117 HydrophobicContact CG2-CD2 3.87Å; T50-L117 HydrophobicContact CG2-CG 4.14Å; T50-I119 HydrophobicContact CG2-CD1 3.86Å; T50-I119 HydrophobicContact CG2-CG1 4.04Å |
| 51 | I | 90.5 | Very high | 78.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 139.6 | 170.7 | -58.2 | -179.8 | 0 | 0 | 0 | 109.6 | I53 W91 L100 L102 L110 V113 A115 L117 V118 I119 | I51-I53 HydrophobicContact CG2-CD1 4.33Å; I51-I53 HydrophobicContact CG2-CG1 3.82Å; I51-W91 HydrophobicContact CD1-CH2 4.02Å; I51-W91 HydrophobicContact CD1-CZ3 4.33Å; I51-W91 HydrophobicContact CG1-CH2 3.54Å; I51-W91 HydrophobicContact CG1-CZ2 4.14Å; I51-W91 HydrophobicContact CG1-CZ3 4.29Å; I51-L100 CarbonylContact C-O 3.59Å; I51-L100 WeakPolarHBondContact CA-O 3.41Å; I51-L102 HydrophobicContact CG2-CD2 3.73Å; I51-L102 HydrophobicContact CG2-CG 4.15Å; I51-L110 HydrophobicContact CD1-CD2 4.1Å; I51-V113 HydrophobicContact CD1-CG2 4.2Å; I51-A115 HydrophobicContact CD1-CB 3.72Å; I51-A115 HydrophobicContact CG1-CB 3.98Å; I51-L117 PolarHBondContact N-O 3.15Å; I51-V118 HydrophobicContact CB-CG2 4.34Å; I51-I119 PolarHBondContact O-N 3.34Å |
| 52 | L | 92.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.5 | 177.8 | -71.9 | 151.5 | 0 | 0 | 0 | 108.1 | L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121 | L36-L52 HydrophobicContact CD1-CD2 3.78Å; L36-L52 HydrophobicContact CD2-CD2 4.04Å; L36-L52 HydrophobicContact CG-CD2 4.3Å; L40-L52 HydrophobicContact CD1-CD1 4.01Å; L40-L52 HydrophobicContact CD1-CD2 4.23Å; L52-L63 HydrophobicContact CB-CD2 4.36Å; L52-L63 HydrophobicContact CD2-CD2 4.47Å; L52-L67 HydrophobicContact CD1-CD1 4.19Å; L52-T74 HydrophobicContact CD1-CG2 4.1Å; L52-A99 HydrophobicContact CD1-CB 3.64Å; L52-L100 PolarHBondContact N-O 3.1Å; L52-I101 HydrophobicContact CB-CB 4.27Å; L52-I101 HydrophobicContact CB-CG1 3.77Å; L52-I101 HydrophobicContact CB-CG2 4.48Å; L52-I101 HydrophobicContact CD1-CD1 4.33Å; L52-I101 HydrophobicContact CD1-CG1 3.56Å; L52-I101 HydrophobicContact CG-CG1 4.29Å; L52-I101 WeakPolarHBondContact O-CA 3.35Å; L52-L102 PolarHBondContact O-N 3.12Å; L52-I119 HydrophobicContact CD2-CB 4.06Å; L52-I119 HydrophobicContact CD2-CD1 4Å; L52-I119 HydrophobicContact CD2-CG1 4.46Å; L52-I119 HydrophobicContact CD2-CG2 4.45Å; L52-T121 HydrophobicContact CD2-CG2 3.94Å |
| 53 | I | 91.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.5 | -174.7 | -52 | -179.7 | 0 | 0 | 0 | 110.1 | I51 L102 L107 V118 I119 T121 L136 | I51-I53 HydrophobicContact CG2-CD1 4.33Å; I51-I53 HydrophobicContact CG2-CG1 3.82Å; I53-L102 WeakPolarHBondContact CA-O 3.45Å; I53-L102 HydrophobicContact CG1-CD1 4.11Å; I53-L102 HydrophobicContact CG2-CD1 4.31Å; I53-L107 HydrophobicContact CD1-CD2 4.21Å; I53-V118 HydrophobicContact CD1-CG1 3.46Å; I53-V118 VanDerWaalsContact CD1-CG1 3.46Å; I53-V118 HydrophobicContact CG1-CG1 4.11Å; I53-I119 PolarHBondContact N-O 3.46Å; I53-T121 PolarHBondContact O-N 2.9Å; I53-T121 PolarHBondContact O-OG1 3.44Å; I53-L136 HydrophobicContact CD1-CD1 3.72Å; I53-L136 HydrophobicContact CD1-CD2 3.87Å; I53-L136 HydrophobicContact CD1-CG 4.32Å |
| 54 | C | 90.8 | Very high | 80.8 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 165.6 | 167.3 | -52.4 | 0 | 0 | 0 | 0 | 110 | E59 A60 L102 C103 D104 T121 T122 | C54-E59 HydrophobicContact CB-CB 3.75Å; C54-A60 HydrophobicContact CB-CB 4.16Å; C54-L102 PolarHBondContact N-O 2.84Å; C54-C103 CarbonylContact O-C 3.5Å; C54-C103 VanDerWaalsContact O-CA 3.27Å; C54-C103 WeakPolarHBondContact O-CA 3.27Å; C54-D104 PolarHBondContact O-N 3.48Å; C54-T121 PolarHBondContact SG-OG1 3.08Å; C54-T122 WeakPolarHBondContact CA-OG1 3.07Å |
| 55 | Q | 88.4 | Confident | 82.4 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -77.3 | -47.6 | 173.3 | -170.3 | 178.4 | 17.3 | 0 | 0 | 110.4 | E59 D104 T122 P124 | Q55-E59 WeakPolarHBondContact CB-OE2 3.18Å; Q55-E59 PolarHBondContact N-OE2 3.03Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.27Å; Q55-D104 PolarHBondContact O-N 2.86Å; Q55-T122 PolarHBondContact N-OG1 3.42Å; Q55-P124 HydrophobicContact CG-CB 4.18Å |
| 56 | Q | 86.3 | Confident | 84 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 46% | 0.458 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -119.1 | 155.7 | -174.5 | -55.6 | -171.3 | 53.2 | 0 | 0 | 113.6 | F58 E59 A60 | Q56-F58 VanDerWaalsContact C-N 3.29Å; Q56-F58 HydrophobicContact CB-CD1 3.76Å; Q56-F58 HydrophobicContact CB-CE1 3.77Å; Q56-F58 HydrophobicContact CG-CE1 4.21Å; Q56-F58 PolarHBondContact O-N 3.37Å; Q56-E59 HydrophobicContact CB-CG 4.38Å; Q56-E59 VanDerWaalsContact CB-OE1 3.3Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.24Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.18Å; Q56-E59 PolarHBondContact N-OE1 3.38Å; Q56-E59 PolarHBondContact N-OE2 2.91Å; Q56-E59 WeakPolarHBondContact O-CB 3.48Å; Q56-E59 PolarHBondContact O-N 2.89Å; Q56-A60 PolarHBondContact O-N 3.15Å; Q56-A60 VanDerWaalsContact O-N 3.16Å |
| 57 | N | 84.8 | Confident | 85.6 | Confident | 40 Ų | 40 | 51.4 Ų | 51.4 | 21% | 0.214 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -31.6 | -179.7 | 179.1 | 75.7 | 0 | 0 | 0 | 113.2 | E59 A60 E61 P79 | N57-E59 VanDerWaalsContact C-N 3.33Å; N57-A60 WeakPolarHBondContact O-CB 3.32Å; N57-A60 PolarHBondContact O-N 2.98Å; N57-E61 PolarHBondContact ND2-OE1 3.03Å; N57-E61 WeakPolarHBondContact O-CG 3.3Å; N57-E61 PolarHBondContact O-N 2.87Å; N57-P79 HydrophobicContact CB-CG 4.16Å; N57-P79 WeakPolarHBondContact OD1-CD 3.46Å |
| 58 | F | 82.6 | Confident | 86.8 | Confident | 124 Ų | 124 | 50 Ų | 50 | 54% | 0.544 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.1 | -33.3 | 177.8 | 82 | -98.2 | 0 | 0 | 0 | 112.1 | Q56 R62 | Q56-F58 VanDerWaalsContact C-N 3.29Å; Q56-F58 HydrophobicContact CB-CD1 3.76Å; Q56-F58 HydrophobicContact CB-CE1 3.77Å; Q56-F58 HydrophobicContact CG-CE1 4.21Å; Q56-F58 PolarHBondContact O-N 3.37Å; F58-R62 WeakPolarHBondContact O-CB 3.5Å; F58-R62 PolarHBondContact O-N 2.88Å |
| 59 | E | 87.4 | Confident | 87.4 | Confident | 30 Ų | 30 | 52.8 Ų | 52.8 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 171.7 | -62.6 | 158 | -141.5 | 0 | 0 | 109.8 | C54 Q55 Q56 N57 R62 L63 T122 | C54-E59 HydrophobicContact CB-CB 3.75Å; Q55-E59 WeakPolarHBondContact CB-OE2 3.18Å; Q55-E59 PolarHBondContact N-OE2 3.03Å; Q56-E59 HydrophobicContact CB-CG 4.38Å; Q56-E59 VanDerWaalsContact CB-OE1 3.3Å; Q56-E59 WeakPolarHBondContact CB-OE1 3.24Å; Q56-E59 WeakPolarHBondContact CG-OE1 3.18Å; Q56-E59 PolarHBondContact N-OE1 3.38Å; Q56-E59 PolarHBondContact N-OE2 2.91Å; Q56-E59 WeakPolarHBondContact O-CB 3.48Å; Q56-E59 PolarHBondContact O-N 2.89Å; N57-E59 VanDerWaalsContact C-N 3.33Å; E59-R62 PolarHBondContact O-N 3.31Å; E59-L63 VanDerWaalsContact O-CB 3.23Å; E59-L63 WeakPolarHBondContact O-CB 3.46Å; E59-L63 PolarHBondContact O-N 2.91Å; E59-T122 WeakPolarHBondContact OE2-CB 3.26Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.36Å; E59-T122 PolarHBondContact OE2-OG1 2.62Å |
| 60 | A | 87.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.4 | -39.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C54 Q56 N57 K64 L76 I101 | C54-A60 HydrophobicContact CB-CB 4.16Å; Q56-A60 PolarHBondContact O-N 3.15Å; Q56-A60 VanDerWaalsContact O-N 3.16Å; N57-A60 WeakPolarHBondContact O-CB 3.32Å; N57-A60 PolarHBondContact O-N 2.98Å; A60-K64 WeakPolarHBondContact O-CB 3.41Å; A60-K64 PolarHBondContact O-N 3.5Å; A60-K64 VanDerWaalsContact O-N 3.15Å; A60-L76 HydrophobicContact CB-CD1 3.54Å; A60-I101 HydrophobicContact CB-CG2 3.76Å |
| 61 | E | 86.8 | Confident | 87.2 | Confident | 107 Ų | 107 | 58.7 Ų | 58.7 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 171.6 | -75.8 | 178.4 | -168.7 | 0 | 0 | 112.2 | N57 F65 L76 | N57-E61 PolarHBondContact ND2-OE1 3.03Å; N57-E61 WeakPolarHBondContact O-CG 3.3Å; N57-E61 PolarHBondContact O-N 2.87Å; E61-F65 PolarHBondContact O-N 2.78Å; E61-L76 HydrophobicContact CB-CD2 4.37Å; E61-L76 HydrophobicContact CG-CD2 3.51Å |
| 62 | R | 87.7 | Confident | 86.8 | Confident | 161 Ų | 161 | 59.2 Ų | 59.2 | 61% | 0.608 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.5 | -47.3 | 175.6 | -178.8 | 179.5 | 174.8 | -171.3 | -3.2 | 111.6 | F58 E59 K64 F65 E66 | F58-R62 WeakPolarHBondContact O-CB 3.5Å; F58-R62 PolarHBondContact O-N 2.88Å; E59-R62 PolarHBondContact O-N 3.31Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 3.43Å; R62-F65 WeakPolarHBondContact O-CA 3.49Å; R62-F65 WeakPolarHBondContact O-CB 3.23Å; R62-F65 PolarHBondContact O-N 3.37Å; R62-E66 HydrophobicContact CG-CG 3.94Å; R62-E66 IonicContact CZ-OE1 2.78Å; R62-E66 IonicContact NE-OE1 2.79Å; R62-E66 PolarHBondContact NE-OE1 3.06Å; R62-E66 IonicContact NH2-OE1 2.68Å; R62-E66 PolarHBondContact NH2-OE1 3.46Å; R62-E66 VanDerWaalsContact O-CG 3.28Å; R62-E66 WeakPolarHBondContact O-CG 3.36Å; R62-E66 PolarHBondContact O-N 3.15Å |
| 63 | L | 88.4 | Confident | 86.2 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | -179.7 | -178.7 | 65.4 | 0 | 0 | 0 | 111.3 | L33 L36 L52 E59 F65 E66 L67 I101 T121 | L33-L63 HydrophobicContact CD2-CD1 3.76Å; L36-L63 HydrophobicContact CD2-CD1 3.75Å; L52-L63 HydrophobicContact CB-CD2 4.36Å; L52-L63 HydrophobicContact CD2-CD2 4.47Å; E59-L63 VanDerWaalsContact O-CB 3.23Å; E59-L63 WeakPolarHBondContact O-CB 3.46Å; E59-L63 PolarHBondContact O-N 2.91Å; L63-F65 VanDerWaalsContact C-N 3.3Å; L63-F65 PolarHBondContact O-N 2.89Å; L63-E66 PolarHBondContact O-N 3.1Å; L63-L67 HydrophobicContact CD1-CD1 4.04Å; L63-L67 HydrophobicContact CD1-CG 4.18Å; L63-L67 HydrophobicContact CG-CD1 3.97Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CB 3.36Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 3.05Å; L63-I101 HydrophobicContact CD2-CD1 4.31Å; L63-I101 HydrophobicContact CD2-CG1 4.38Å; L63-I101 HydrophobicContact CD2-CG2 4.15Å; L63-I101 HydrophobicContact CG-CD1 4.24Å; L63-T121 HydrophobicContact CD2-CG2 3.87Å |
| 64 | K | 91.3 | Very high | 86.1 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 173.8 | 178.1 | 166.5 | 174.5 | -175.1 | 0 | 112.6 | A60 R62 A68 T74 L76 I101 | A60-K64 WeakPolarHBondContact O-CB 3.41Å; A60-K64 PolarHBondContact O-N 3.5Å; A60-K64 VanDerWaalsContact O-N 3.15Å; R62-K64 VanDerWaalsContact C-N 3.28Å; R62-K64 PolarHBondContact O-N 3.43Å; K64-A68 VanDerWaalsContact O-CB 3.26Å; K64-A68 WeakPolarHBondContact O-CB 3.34Å; K64-A68 PolarHBondContact O-N 3.04Å; K64-A68 VanDerWaalsContact O-N 3.12Å; K64-T74 WeakPolarHBondContact CE-O 3.33Å; K64-L76 HydrophobicContact CD-CB 3.53Å; K64-I101 HydrophobicContact CB-CD1 3.75Å; K64-I101 HydrophobicContact CG-CD1 4.49Å |
| 65 | F | 86.4 | Confident | 86.1 | Confident | 127 Ų | 127 | 67 Ų | 67 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.3 | -49.8 | 176.5 | -175.6 | -88.3 | 0 | 0 | 0 | 111.4 | E61 R62 L63 L67 A68 E69 | E61-F65 PolarHBondContact O-N 2.78Å; R62-F65 WeakPolarHBondContact O-CA 3.49Å; R62-F65 WeakPolarHBondContact O-CB 3.23Å; R62-F65 PolarHBondContact O-N 3.37Å; L63-F65 VanDerWaalsContact C-N 3.3Å; L63-F65 PolarHBondContact O-N 2.89Å; F65-L67 VanDerWaalsContact C-N 3.3Å; F65-L67 PolarHBondContact O-N 3.36Å; F65-A68 PolarHBondContact O-N 3.15Å; F65-A68 VanDerWaalsContact O-N 3.07Å; F65-E69 HydrophobicContact CD1-CG 4.21Å; F65-E69 VanDerWaalsContact CE1-CD 3.45Å; F65-E69 HydrophobicContact CE1-CG 3.73Å; F65-E69 HydrophobicContact CZ-CG 4.06Å; F65-E69 PolarHBondContact O-N 2.92Å |
| 66 | E | 89.1 | Confident | 86.1 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -35.6 | -179.8 | -66.2 | -88.1 | -166.4 | 0 | 0 | 112.8 | L33 R62 L63 R70 | L33-E66 HydrophobicContact CD1-CB 3.99Å; L33-E66 HydrophobicContact CD1-CG 3.99Å; L33-E66 WeakPolarHBondContact CD1-OE2 3.49Å; L33-E66 HydrophobicContact CD2-CB 3.89Å; L33-E66 HydrophobicContact CD2-CG 4.46Å; R62-E66 HydrophobicContact CG-CG 3.94Å; R62-E66 IonicContact CZ-OE1 2.78Å; R62-E66 IonicContact NE-OE1 2.79Å; R62-E66 PolarHBondContact NE-OE1 3.06Å; R62-E66 IonicContact NH2-OE1 2.68Å; R62-E66 PolarHBondContact NH2-OE1 3.46Å; R62-E66 VanDerWaalsContact O-CG 3.28Å; R62-E66 WeakPolarHBondContact O-CG 3.36Å; R62-E66 PolarHBondContact O-N 3.15Å; L63-E66 PolarHBondContact O-N 3.1Å; E66-R70 WeakPolarHBondContact O-CD 3.39Å; E66-R70 WeakPolarHBondContact O-CG 3.45Å; E66-R70 PolarHBondContact O-NH1 3.38Å; E66-R70 IonicContact OE2-CZ 3.32Å; E66-R70 IonicContact OE2-NH1 3.41Å; E66-R70 PolarHBondContact OE2-NH1 2.88Å |
| 67 | L | 86.3 | Confident | 86 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.2 | -33.4 | 173.8 | -73.3 | 176.1 | 0 | 0 | 0 | 112.6 | L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101 | L36-L67 HydrophobicContact CD2-CD1 4.23Å; L36-L67 HydrophobicContact CD2-CD2 4.18Å; L36-L67 HydrophobicContact CG-CD2 4.12Å; A37-L67 HydrophobicContact CB-CD2 4.1Å; L40-L67 HydrophobicContact CD1-CD1 3.9Å; L40-L67 HydrophobicContact CD1-CD2 4.19Å; L52-L67 HydrophobicContact CD1-CD1 4.19Å; L63-L67 HydrophobicContact CD1-CD1 4.04Å; L63-L67 HydrophobicContact CD1-CG 4.18Å; L63-L67 HydrophobicContact CG-CD1 3.97Å; L63-L67 HydrophobicContact CG-CG 4.46Å; L63-L67 WeakPolarHBondContact O-CB 3.36Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 3.05Å; F65-L67 VanDerWaalsContact C-N 3.3Å; F65-L67 PolarHBondContact O-N 3.36Å; L67-R70 CarbonylContact O-C 3.53Å; L67-R70 VanDerWaalsContact O-C 3.29Å; L67-R70 WeakPolarHBondContact O-CA 3.45Å; L67-R70 PolarHBondContact O-N 2.95Å; L67-D71 PolarHBondContact O-N 3.47Å; L67-V72 CarbonylContact C-O 3.56Å; L67-V72 HydrophobicContact CB-CB 4.22Å; L67-V72 HydrophobicContact CD2-CB 4.49Å; L67-V72 PolarHBondContact O-N 2.87Å; L67-T74 HydrophobicContact CB-CG2 4.41Å; L67-T74 HydrophobicContact CD1-CG2 3.87Å; L67-I101 HydrophobicContact CD1-CD1 4.39Å |
| 68 | A | 83 | Confident | 85.4 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 50% | 0.496 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.4 | -33.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K64 F65 R70 D71 | K64-A68 VanDerWaalsContact O-CB 3.26Å; K64-A68 WeakPolarHBondContact O-CB 3.34Å; K64-A68 PolarHBondContact O-N 3.04Å; K64-A68 VanDerWaalsContact O-N 3.12Å; F65-A68 PolarHBondContact O-N 3.15Å; F65-A68 VanDerWaalsContact O-N 3.07Å; A68-R70 PolarHBondContact O-N 3.19Å; A68-D71 PolarHBondContact O-N 3.23Å |
| 69 | E | 83.3 | Confident | 84.7 | Confident | 123 Ų | 123 | 58.1 Ų | 58.1 | 58% | 0.575 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14 | 168.5 | -67.1 | -150.5 | 124.8 | 0 | 0 | 112.9 | F65 | F65-E69 HydrophobicContact CD1-CG 4.21Å; F65-E69 VanDerWaalsContact CE1-CD 3.45Å; F65-E69 HydrophobicContact CE1-CG 3.73Å; F65-E69 HydrophobicContact CZ-CG 4.06Å; F65-E69 PolarHBondContact O-N 2.92Å |
| 70 | R | 85.3 | Confident | 83.7 | Confident | 41 Ų | 41 | 65 Ų | 65 | 16% | 0.155 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 23.3 | 176 | -65.1 | 169.3 | 173.8 | 86.3 | -3.5 | 112.4 | L33 D34 A37 R41 E66 L67 A68 V72 | L33-R70 VanDerWaalsContact CB-CZ 3.46Å; D34-R70 IonicContact OD1-CZ 3.21Å; D34-R70 IonicContact OD1-NE 3.76Å; D34-R70 PolarHBondContact OD1-NE 3.07Å; D34-R70 IonicContact OD1-NH2 3.72Å; A37-R70 HydrophobicContact CB-CB 3.81Å; A37-R70 HydrophobicContact CB-CG 4.46Å; R41-R70 PolarHBondContact NE-O 3.26Å; R41-R70 PolarHBondContact NH2-O 2.91Å; E66-R70 WeakPolarHBondContact O-CD 3.39Å; E66-R70 WeakPolarHBondContact O-CG 3.45Å; E66-R70 PolarHBondContact O-NH1 3.38Å; E66-R70 IonicContact OE2-CZ 3.32Å; E66-R70 IonicContact OE2-NH1 3.41Å; E66-R70 PolarHBondContact OE2-NH1 2.88Å; L67-R70 CarbonylContact O-C 3.53Å; L67-R70 VanDerWaalsContact O-C 3.29Å; L67-R70 WeakPolarHBondContact O-CA 3.45Å; L67-R70 PolarHBondContact O-N 2.95Å; A68-R70 PolarHBondContact O-N 3.19Å; R70-V72 PolarHBondContact O-N 3.33Å; R70-V72 VanDerWaalsContact O-N 3.11Å |
| 71 | D | 81.3 | Confident | 82.6 | Confident | 135 Ų | 135 | 66.1 Ų | 66.1 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 14.7 | 179.2 | -68.9 | -51.9 | 0 | 0 | 0 | 115.8 | L67 A68 | L67-D71 PolarHBondContact O-N 3.47Å; A68-D71 PolarHBondContact O-N 3.23Å |
| 72 | V | 81.9 | Confident | 81.5 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | trans | -95.2 | 113.1 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | A37 L40 R41 L67 R70 T74 | A37-V72 HydrophobicContact CB-CG2 3.9Å; L40-V72 HydrophobicContact CB-CG1 3.82Å; L40-V72 HydrophobicContact CD1-CG1 3.87Å; L40-V72 HydrophobicContact CG-CG1 4.48Å; R41-V72 HydrophobicContact CG-CG2 3.9Å; L67-V72 CarbonylContact C-O 3.56Å; L67-V72 HydrophobicContact CB-CB 4.22Å; L67-V72 HydrophobicContact CD2-CB 4.49Å; L67-V72 PolarHBondContact O-N 2.87Å; R70-V72 PolarHBondContact O-N 3.33Å; R70-V72 VanDerWaalsContact O-N 3.11Å; V72-T74 HydrophobicContact CG1-CG2 3.97Å; V72-T74 PolarHBondContact O-N 3.34Å | ||
| 73 | N | 81.1 | Confident | 80.7 | Confident | 115 Ų | 115 | 63.7 Ų | 63.7 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | trans | -82.1 | 113.8 | -179.9 | -73.3 | -86.3 | 0 | 0 | 0 | 110.8 | Q98 | N73-Q98 HydrophobicContact CB-CG 4.31Å; N73-Q98 WeakPolarHBondContact O-CB 3.47Å; N73-Q98 WeakPolarHBondContact O-CG 3.37Å | ||
| 74 | T | 89.3 | Confident | 80.3 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 6% | 0.055 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147.3 | -178.8 | 58.1 | 0 | 0 | 0 | 0 | 112 | L52 K64 L67 V72 A99 I101 | L52-T74 HydrophobicContact CD1-CG2 4.1Å; K64-T74 WeakPolarHBondContact CE-O 3.33Å; L67-T74 HydrophobicContact CB-CG2 4.41Å; L67-T74 HydrophobicContact CD1-CG2 3.87Å; V72-T74 HydrophobicContact CG1-CG2 3.97Å; V72-T74 PolarHBondContact O-N 3.34Å; T74-A99 WeakPolarHBondContact CA-O 3.48Å; T74-A99 HydrophobicContact CG2-CB 4.3Å; T74-I101 HydrophobicContact CG2-CD1 4.09Å; T74-I101 HydrophobicContact CG2-CG1 4.47Å; T74-I101 VanDerWaalsContact OG1-CD1 3.27Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.31Å |
| 75 | I | 89.2 | Confident | 79.6 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.7 | 171.2 | -81.4 | 159.1 | 0 | 0 | 0 | 109 | V87 I96 Q98 A99 L100 I101 | I75-V87 HydrophobicContact CG2-CG1 3.94Å; I75-I96 HydrophobicContact CD1-CD1 4.49Å; I75-I96 HydrophobicContact CD1-CG2 3.3Å; I75-Q98 HydrophobicContact CD1-CB 4.27Å; I75-A99 PolarHBondContact N-O 3.19Å; I75-L100 HydrophobicContact CG2-CD1 4.07Å; I75-L100 CarbonylContact O-C 3.53Å; I75-L100 WeakPolarHBondContact O-CA 3.49Å; I75-I101 PolarHBondContact O-N 2.87Å |
| 76 | L | 89.3 | Confident | 79.3 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 13% | 0.131 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131.8 | 166.2 | 172.1 | 65 | 0 | 0 | 0 | 108.8 | A60 E61 K64 P78 I101 | A60-L76 HydrophobicContact CB-CD1 3.54Å; E61-L76 HydrophobicContact CB-CD2 4.37Å; E61-L76 HydrophobicContact CG-CD2 3.51Å; K64-L76 HydrophobicContact CD-CB 3.53Å; L76-P78 WeakPolarHBondContact O-CD 3.19Å; L76-I101 WeakPolarHBondContact CA-O 3.36Å; L76-I101 HydrophobicContact CD1-CB 4.2Å; L76-I101 HydrophobicContact CD1-CG2 3.98Å |
| 77 | L | 83.1 | Confident | 79 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | trans | -90.4 | 103.5 | 171.1 | -165.2 | 75.5 | 0 | 0 | 0 | 109.3 | V84 V87 L88 L100 I101 L102 M106 | L77-V84 HydrophobicContact CD1-CB 4.37Å; L77-V84 HydrophobicContact CD1-CG1 4.13Å; L77-V84 HydrophobicContact CD1-CG2 4.14Å; L77-V84 HydrophobicContact CD2-CG1 4.23Å; L77-V84 HydrophobicContact CG-CG1 4.28Å; L77-V84 HydrophobicContact CG-CG2 4.18Å; L77-V87 HydrophobicContact CD1-CB 4.29Å; L77-V87 HydrophobicContact CD1-CG1 4.12Å; L77-L88 HydrophobicContact CD1-CD2 4.3Å; L77-L88 HydrophobicContact CD1-CG 3.98Å; L77-L88 HydrophobicContact CD2-CD1 4.07Å; L77-L88 HydrophobicContact CD2-CD2 3.98Å; L77-L88 HydrophobicContact CD2-CG 4.11Å; L77-L100 HydrophobicContact CB-CD1 4.14Å; L77-L100 HydrophobicContact CD1-CD1 4.48Å; L77-I101 PolarHBondContact N-O 2.88Å; L77-L102 HydrophobicContact CB-CB 4.31Å; L77-M106 HydrophobicContact CD2-CB 4.34Å; L77-M106 HydrophobicContact CD2-CE 3.74Å; L77-M106 HydrophobicContact CG-CE 3.99Å | ||
| 78 | P | 72.4 | Confident | 78.9 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 41% | 0.409 | 36% | 0.364 | S | S | . | . | trans | -77.7 | 139.5 | -172.1 | 31.3 | -34.9 | 0 | 0 | 0 | 111.8 | L76 H80 G81 V84 | L76-P78 WeakPolarHBondContact O-CD 3.19Å; P78-H80 PolarHBondContact O-N 2.87Å; P78-G81 PolarHBondContact O-N 2.79Å; P78-V84 WeakPolarHBondContact O-CG2 3.39Å | ||
| 79 | P | 69.2 | Low | 78.9 | Confident | 46 Ų | 46 | 64 Ų | 64 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 134.1 | 175.8 | 24.4 | -33.1 | 0 | 0 | 0 | 111.8 | N57 G81 M106 | N57-P79 HydrophobicContact CB-CG 4.16Å; N57-P79 WeakPolarHBondContact OD1-CD 3.46Å; P79-G81 PolarHBondContact O-N 2.82Å; P79-M106 VanDerWaalsContact CA-SD 3.58Å; P79-M106 HydrophobicContact CB-SD 4.07Å |
| 80 | H | 65.9 | Low | 78.8 | Confident | 174 Ų | 174 | 61.9 Ų | 61.9 | 81% | 0.806 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 20 | -178.8 | -39 | -63.5 | 0 | 0 | 0 | 115.5 | P78 A82 | P78-H80 PolarHBondContact O-N 2.87Å; H80-A82 PolarHBondContact O-N 3.35Å |
| 81 | G | 65.3 | Low | 78.9 | Confident | 25 Ų | 25 | 60 Ų | 60 | 26% | 0.258 | 35% | 0.349 | S | S | . | . | trans | -68.7 | 124.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P78 P79 M83 V84 | P78-G81 PolarHBondContact O-N 2.79Å; P79-G81 PolarHBondContact O-N 2.82Å; G81-M83 PolarHBondContact O-N 3.35Å; G81-V84 VanDerWaalsContact O-CB 3.31Å; G81-V84 WeakPolarHBondContact O-CB 3.29Å; G81-V84 WeakPolarHBondContact O-CG2 3.31Å; G81-V84 PolarHBondContact O-N 2.95Å | ||
| 82 | A | 63.3 | Low | 78.8 | Confident | 106 Ų | 106 | 55.1 Ų | 55.1 | 88% | 0.876 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -12.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | H80 | H80-A82 PolarHBondContact O-N 3.35Š|
| 83 | M | 69.7 | Low | 78.7 | Confident | 110 Ų | 110 | 61.2 Ų | 61.2 | 54% | 0.542 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -2.5 | 177 | -58.8 | -65.9 | -72 | 0 | 0 | 113.6 | G81 G85 Q86 V87 | G81-M83 PolarHBondContact O-N 3.35Å; M83-G85 PolarHBondContact O-N 2.91Å; M83-Q86 WeakPolarHBondContact O-CA 3.23Å; M83-Q86 WeakPolarHBondContact O-CB 3.26Å; M83-Q86 PolarHBondContact O-N 3.4Å; M83-V87 HydrophobicContact CB-CG2 4.43Å; M83-V87 PolarHBondContact O-N 3.43Å |
| 84 | V | 79.9 | Confident | 78.4 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -50.8 | -52 | -173.1 | 158.6 | 0 | 0 | 0 | 0 | 112.2 | L77 P78 G81 Q86 V87 L88 M106 H109 | L77-V84 HydrophobicContact CD1-CB 4.37Å; L77-V84 HydrophobicContact CD1-CG1 4.13Å; L77-V84 HydrophobicContact CD1-CG2 4.14Å; L77-V84 HydrophobicContact CD2-CG1 4.23Å; L77-V84 HydrophobicContact CG-CG1 4.28Å; L77-V84 HydrophobicContact CG-CG2 4.18Å; P78-V84 WeakPolarHBondContact O-CG2 3.39Å; G81-V84 VanDerWaalsContact O-CB 3.31Å; G81-V84 WeakPolarHBondContact O-CB 3.29Å; G81-V84 WeakPolarHBondContact O-CG2 3.31Å; G81-V84 PolarHBondContact O-N 2.95Å; V84-Q86 VanDerWaalsContact C-N 3.27Å; V84-Q86 PolarHBondContact O-N 3.18Å; V84-V87 PolarHBondContact O-N 3.47Å; V84-L88 HydrophobicContact CG1-CD1 3.87Å; V84-L88 WeakPolarHBondContact O-CB 3.21Å; V84-L88 WeakPolarHBondContact O-CG 3.3Å; V84-L88 PolarHBondContact O-N 3.46Å; V84-M106 HydrophobicContact CB-CE 4.47Å; V84-M106 HydrophobicContact CG1-CE 3.75Å; V84-M106 HydrophobicContact CG2-CE 3.85Å; V84-H109 HydrophobicContact CG1-CB 4.36Å |
| 85 | G | 78 | Confident | 77.9 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 54% | 0.536 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.6 | -28.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | M83 L89 | M83-G85 PolarHBondContact O-N 2.91Å; G85-L89 WeakPolarHBondContact O-CB 3.44Å; G85-L89 PolarHBondContact O-N 3.12Å |
| 86 | Q | 80.4 | Confident | 77.5 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 52% | 0.523 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -76.9 | -40.3 | 175.6 | -62.1 | -173.1 | 8.5 | 0 | 0 | 111.8 | M83 V84 L89 L90 | M83-Q86 WeakPolarHBondContact O-CA 3.23Å; M83-Q86 WeakPolarHBondContact O-CB 3.26Å; M83-Q86 PolarHBondContact O-N 3.4Å; V84-Q86 VanDerWaalsContact C-N 3.27Å; V84-Q86 PolarHBondContact O-N 3.18Å; Q86-L89 PolarHBondContact O-N 3.26Å; Q86-L90 WeakPolarHBondContact O-CB 3.45Å; Q86-L90 VanDerWaalsContact O-CG 3.29Å; Q86-L90 WeakPolarHBondContact O-CG 3.48Å; Q86-L90 PolarHBondContact O-N 2.9Å |
| 87 | V | 82.5 | Confident | 77 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 175.5 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | I75 L77 M83 V84 L89 L90 W91 | I75-V87 HydrophobicContact CG2-CG1 3.94Å; L77-V87 HydrophobicContact CD1-CB 4.29Å; L77-V87 HydrophobicContact CD1-CG1 4.12Å; M83-V87 HydrophobicContact CB-CG2 4.43Å; M83-V87 PolarHBondContact O-N 3.43Å; V84-V87 PolarHBondContact O-N 3.47Å; V87-L89 PolarHBondContact O-N 3.01Å; V87-L90 PolarHBondContact O-N 3.25Å; V87-W91 VanDerWaalsContact O-CB 3.31Å; V87-W91 WeakPolarHBondContact O-CB 3.49Å; V87-W91 PolarHBondContact O-N 3Å |
| 88 | L | 84.4 | Confident | 77.1 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.063 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 175.1 | -74.4 | 171.1 | 0 | 0 | 0 | 112.5 | L77 V84 L90 W91 S92 L100 H109 L110 | L77-L88 HydrophobicContact CD1-CD2 4.3Å; L77-L88 HydrophobicContact CD1-CG 3.98Å; L77-L88 HydrophobicContact CD2-CD1 4.07Å; L77-L88 HydrophobicContact CD2-CD2 3.98Å; L77-L88 HydrophobicContact CD2-CG 4.11Å; V84-L88 HydrophobicContact CG1-CD1 3.87Å; V84-L88 WeakPolarHBondContact O-CB 3.21Å; V84-L88 WeakPolarHBondContact O-CG 3.3Å; V84-L88 PolarHBondContact O-N 3.46Å; L88-L90 PolarHBondContact O-N 3.11Å; L88-W91 PolarHBondContact O-N 2.89Å; L88-S92 VanDerWaalsContact O-CB 3.31Å; L88-S92 WeakPolarHBondContact O-CB 3.43Å; L88-S92 PolarHBondContact O-N 3.12Å; L88-S92 PolarHBondContact O-OG 3.21Å; L88-S92 VanDerWaalsContact O-OG 3.06Å; L88-L100 HydrophobicContact CD2-CD2 3.83Å; L88-H109 WeakPolarHBondContact CD1-O 3.26Å; L88-L110 HydrophobicContact CD2-CD2 4.08Å |
| 89 | L | 81.1 | Confident | 77.8 | Confident | 95 Ų | 95 | 67.8 Ų | 67.8 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.8 | -33.7 | 178 | -178.3 | 63.3 | 0 | 0 | 0 | 113.3 | G85 Q86 V87 S92 K93 | G85-L89 WeakPolarHBondContact O-CB 3.44Å; G85-L89 PolarHBondContact O-N 3.12Å; Q86-L89 PolarHBondContact O-N 3.26Å; V87-L89 PolarHBondContact O-N 3.01Å; L89-S92 PolarHBondContact O-OG 2.89Å; L89-K93 HydrophobicContact CD1-CD 4.19Å; L89-K93 WeakPolarHBondContact O-CB 3.2Å; L89-K93 WeakPolarHBondContact O-CG 3.06Å; L89-K93 PolarHBondContact O-N 2.87Å |
| 90 | L | 81.9 | Confident | 78.9 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 41% | 0.408 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -75.7 | -37.9 | 175.6 | -71.7 | 170 | 0 | 0 | 0 | 111.6 | Q86 V87 L88 G94 Y95 I96 | Q86-L90 WeakPolarHBondContact O-CB 3.45Å; Q86-L90 VanDerWaalsContact O-CG 3.29Å; Q86-L90 WeakPolarHBondContact O-CG 3.48Å; Q86-L90 PolarHBondContact O-N 2.9Å; V87-L90 PolarHBondContact O-N 3.25Å; L88-L90 PolarHBondContact O-N 3.11Å; L90-G94 PolarHBondContact O-N 2.79Å; L90-Y95 HydrophobicContact CD2-CD2 3.93Å; L90-Y95 HydrophobicContact CD2-CG 4.16Å; L90-Y95 WeakPolarHBondContact O-CB 3.33Å; L90-Y95 PolarHBondContact O-N 2.71Å; L90-I96 HydrophobicContact CB-CD1 3.59Å; L90-I96 HydrophobicContact CB-CG1 3.98Å; L90-I96 HydrophobicContact CD1-CD1 4.39Å |
| 91 | W | 87.1 | Confident | 80.1 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.7 | -48.9 | 176.4 | -171.4 | 86.3 | 0 | 0 | 0 | 112.4 | K49 I51 V87 L88 K93 G94 I96 Q98 L100 V113 A115 | K49-W91 HydrophobicContact CB-CH2 3.74Å; K49-W91 HydrophobicContact CB-CZ2 3.82Å; K49-W91 HydrophobicContact CB-CZ3 4.46Å; K49-W91 HydrophobicContact CG-CH2 4.47Å; K49-W91 HydrophobicContact CG-CZ2 4.44Å; I51-W91 HydrophobicContact CD1-CH2 4.02Å; I51-W91 HydrophobicContact CD1-CZ3 4.33Å; I51-W91 HydrophobicContact CG1-CH2 3.54Å; I51-W91 HydrophobicContact CG1-CZ2 4.14Å; I51-W91 HydrophobicContact CG1-CZ3 4.29Å; V87-W91 VanDerWaalsContact O-CB 3.31Å; V87-W91 WeakPolarHBondContact O-CB 3.49Å; V87-W91 PolarHBondContact O-N 3Å; L88-W91 PolarHBondContact O-N 2.89Å; W91-K93 PolarHBondContact O-N 3.34Å; W91-G94 PolarHBondContact O-N 3.35Å; W91-I96 HydrophobicContact CB-CB 4.31Å; W91-Q98 PolarHBondContact NE1-O 2.94Å; W91-L100 HydrophobicContact CD2-CB 4.3Å; W91-L100 HydrophobicContact CD2-CD2 4.06Å; W91-L100 HydrophobicContact CE3-CD2 4.08Å; W91-L100 HydrophobicContact CZ2-CB 3.84Å; W91-L100 HydrophobicContact CZ2-CD2 4.48Å; W91-L100 HydrophobicContact CZ3-CD2 4.32Å; W91-V113 HydrophobicContact CZ3-CB 4.26Å; W91-V113 HydrophobicContact CZ3-CG2 4.26Å; W91-A115 HydrophobicContact CH2-CB 4.35Å |
| 92 | S | 80.1 | Confident | 81.3 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -31.7 | 178.7 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | K49 L88 L89 | K49-S92 PolarHBondContact NZ-O 3.13Å; L88-S92 VanDerWaalsContact O-CB 3.31Å; L88-S92 WeakPolarHBondContact O-CB 3.43Å; L88-S92 PolarHBondContact O-N 3.12Å; L88-S92 PolarHBondContact O-OG 3.21Å; L88-S92 VanDerWaalsContact O-OG 3.06Å; L89-S92 PolarHBondContact O-OG 2.89Å |
| 93 | K | 80.3 | Confident | 82.6 | Confident | 138 Ų | 138 | 51.4 Ų | 51.4 | 60% | 0.6 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 2.2 | 174.1 | -69.9 | -173.4 | 175 | -173 | 0 | 115.5 | L89 W91 Y95 | L89-K93 HydrophobicContact CD1-CD 4.19Å; L89-K93 WeakPolarHBondContact O-CB 3.2Å; L89-K93 WeakPolarHBondContact O-CG 3.06Å; L89-K93 PolarHBondContact O-N 2.87Å; W91-K93 PolarHBondContact O-N 3.34Å; K93-Y95 HydrophobicContact CB-CD2 3.7Å; K93-Y95 HydrophobicContact CB-CE2 3.7Å; K93-Y95 HydrophobicContact CD-CE2 4.23Å; K93-Y95 PolarHBondContact O-N 2.97Å |
| 94 | G | 73.9 | Confident | 83.4 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 23.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L90 W91 I96 N97 | L90-G94 PolarHBondContact O-N 2.79Å; W91-G94 PolarHBondContact O-N 3.35Å; G94-I96 VanDerWaalsContact C-N 3.28Å; G94-N97 PolarHBondContact O-OD1 2.88Å |
| 95 | Y | 78.2 | Confident | 83.5 | Confident | 176 Ų | 176 | 49.9 Ų | 49.9 | 69% | 0.69 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -83.3 | -9.3 | 165.8 | -63.7 | -76.2 | 0 | 0 | 0 | 112.3 | L90 K93 | L90-Y95 HydrophobicContact CD2-CD2 3.93Å; L90-Y95 HydrophobicContact CD2-CG 4.16Å; L90-Y95 WeakPolarHBondContact O-CB 3.33Å; L90-Y95 PolarHBondContact O-N 2.71Å; K93-Y95 HydrophobicContact CB-CD2 3.7Å; K93-Y95 HydrophobicContact CB-CE2 3.7Å; K93-Y95 HydrophobicContact CD-CE2 4.23Å; K93-Y95 PolarHBondContact O-N 2.97Å |
| 96 | I | 81.6 | Confident | 83.9 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 17% | 0.169 | 25% | 0.253 | C | S | . | . | trans | -137.2 | 110.1 | 179.8 | -58 | 176.7 | 0 | 0 | 0 | 107.5 | I75 L90 W91 G94 Q98 | I75-I96 HydrophobicContact CD1-CD1 4.49Å; I75-I96 HydrophobicContact CD1-CG2 3.3Å; L90-I96 HydrophobicContact CB-CD1 3.59Å; L90-I96 HydrophobicContact CB-CG1 3.98Å; L90-I96 HydrophobicContact CD1-CD1 4.39Å; W91-I96 HydrophobicContact CB-CB 4.31Å; G94-I96 VanDerWaalsContact C-N 3.28Å; I96-Q98 HydrophobicContact CG2-CB 4.44Å | ||
| 97 | N | 77.8 | Confident | 84 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | trans | -101.8 | 6.6 | -174.6 | -53.4 | -14.3 | 0 | 0 | 0 | 113 | A45 N46 G94 | A45-N97 WeakPolarHBondContact O-CB 3.31Å; N46-N97 PolarHBondContact OD1-ND2 3.41Å; G94-N97 PolarHBondContact O-OD1 2.88Å | ||
| 98 | Q | 86.1 | Confident | 83.8 | Confident | 76 Ų | 76 | 46.4 Ų | 46.4 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -76.2 | 145.8 | 176.1 | -66.9 | -177.9 | 8.8 | 0 | 0 | 110.5 | N73 I75 W91 I96 | N73-Q98 HydrophobicContact CB-CG 4.31Å; N73-Q98 WeakPolarHBondContact O-CB 3.47Å; N73-Q98 WeakPolarHBondContact O-CG 3.37Å; I75-Q98 HydrophobicContact CD1-CB 4.27Å; W91-Q98 PolarHBondContact NE1-O 2.94Å; I96-Q98 HydrophobicContact CG2-CB 4.44Å |
| 99 | A | 88.1 | Confident | 83.4 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 138.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L40 T50 L52 T74 I75 | L40-A99 HydrophobicContact CD2-CB 3.89Å; T50-A99 HydrophobicContact CG2-CB 4.4Å; T50-A99 WeakPolarHBondContact O-CA 3.48Å; L52-A99 HydrophobicContact CD1-CB 3.64Å; T74-A99 WeakPolarHBondContact CA-O 3.48Å; T74-A99 HydrophobicContact CG2-CB 4.3Å; I75-A99 PolarHBondContact N-O 3.19Å |
| 100 | L | 90.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 109.1 | -172.1 | -177.8 | 67.8 | 0 | 0 | 0 | 110.5 | T50 I51 L52 I75 L77 L88 W91 L102 L110 | T50-L100 PolarHBondContact O-N 2.85Å; I51-L100 CarbonylContact C-O 3.59Å; I51-L100 WeakPolarHBondContact CA-O 3.41Å; L52-L100 PolarHBondContact N-O 3.1Å; I75-L100 HydrophobicContact CG2-CD1 4.07Å; I75-L100 CarbonylContact O-C 3.53Å; I75-L100 WeakPolarHBondContact O-CA 3.49Å; L77-L100 HydrophobicContact CB-CD1 4.14Å; L77-L100 HydrophobicContact CD1-CD1 4.48Å; L88-L100 HydrophobicContact CD2-CD2 3.83Å; W91-L100 HydrophobicContact CD2-CB 4.3Å; W91-L100 HydrophobicContact CD2-CD2 4.06Å; W91-L100 HydrophobicContact CE3-CD2 4.08Å; W91-L100 HydrophobicContact CZ2-CB 3.84Å; W91-L100 HydrophobicContact CZ2-CD2 4.48Å; W91-L100 HydrophobicContact CZ3-CD2 4.32Å; L100-L102 HydrophobicContact CD2-CD2 4.2Å; L100-L102 HydrophobicContact CG-CD2 4.39Å; L100-L110 HydrophobicContact CD2-CD2 4.31Å |
| 101 | I | 92.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 133 | 173 | -54.7 | 168 | 0 | 0 | 0 | 109.6 | L52 A60 L63 K64 L67 T74 I75 L76 L77 | L52-I101 HydrophobicContact CB-CB 4.27Å; L52-I101 HydrophobicContact CB-CG1 3.77Å; L52-I101 HydrophobicContact CB-CG2 4.48Å; L52-I101 HydrophobicContact CD1-CD1 4.33Å; L52-I101 HydrophobicContact CD1-CG1 3.56Å; L52-I101 HydrophobicContact CG-CG1 4.29Å; L52-I101 WeakPolarHBondContact O-CA 3.35Å; A60-I101 HydrophobicContact CB-CG2 3.76Å; L63-I101 HydrophobicContact CD2-CD1 4.31Å; L63-I101 HydrophobicContact CD2-CG1 4.38Å; L63-I101 HydrophobicContact CD2-CG2 4.15Å; L63-I101 HydrophobicContact CG-CD1 4.24Å; K64-I101 HydrophobicContact CB-CD1 3.75Å; K64-I101 HydrophobicContact CG-CD1 4.49Å; L67-I101 HydrophobicContact CD1-CD1 4.39Å; T74-I101 HydrophobicContact CG2-CD1 4.09Å; T74-I101 HydrophobicContact CG2-CG1 4.47Å; T74-I101 VanDerWaalsContact OG1-CD1 3.27Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.31Å; I75-I101 PolarHBondContact O-N 2.87Å; L76-I101 WeakPolarHBondContact CA-O 3.36Å; L76-I101 HydrophobicContact CD1-CB 4.2Å; L76-I101 HydrophobicContact CD1-CG2 3.98Å; L77-I101 PolarHBondContact N-O 2.88Å |
| 102 | L | 91.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162.1 | 174.6 | 61.5 | 90.2 | 0 | 0 | 0 | 111.5 | I51 L52 I53 C54 L77 L100 M106 L107 L110 | I51-L102 HydrophobicContact CG2-CD2 3.73Å; I51-L102 HydrophobicContact CG2-CG 4.15Å; L52-L102 PolarHBondContact O-N 3.12Å; I53-L102 WeakPolarHBondContact CA-O 3.45Å; I53-L102 HydrophobicContact CG1-CD1 4.11Å; I53-L102 HydrophobicContact CG2-CD1 4.31Å; C54-L102 PolarHBondContact N-O 2.84Å; L77-L102 HydrophobicContact CB-CB 4.31Å; L100-L102 HydrophobicContact CD2-CD2 4.2Å; L100-L102 HydrophobicContact CG-CD2 4.39Å; L102-M106 HydrophobicContact CB-CB 4.16Å; L102-L107 HydrophobicContact CD1-CD2 3.8Å; L102-L107 HydrophobicContact CD1-CG 4.42Å; L102-L110 HydrophobicContact CD1-CD1 4.48Å; L102-L110 HydrophobicContact CD2-CD1 3.85Å; L102-L110 HydrophobicContact CD2-CD2 3.84Å; L102-L110 HydrophobicContact CD2-CG 4Å |
| 103 | C | 90.4 | Very high | 81.6 | Confident | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.054 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 167 | 172.9 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | C54 G105 M106 | C54-C103 CarbonylContact O-C 3.5Å; C54-C103 VanDerWaalsContact O-CA 3.27Å; C54-C103 WeakPolarHBondContact O-CA 3.27Å; C103-G105 PolarHBondContact O-N 3.28Å; C103-G105 VanDerWaalsContact O-N 3.14Å; C103-M106 WeakPolarHBondContact O-CB 3.38Å; C103-M106 PolarHBondContact O-N 3.06Å |
| 104 | D | 85.8 | Confident | 81.2 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.193 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -52.3 | -39.4 | -177.7 | -74.4 | -35.8 | 0 | 0 | 0 | 113.8 | C54 Q55 M106 L107 R132 | C54-D104 PolarHBondContact O-N 3.48Å; Q55-D104 WeakPolarHBondContact CA-OD2 3.27Å; Q55-D104 PolarHBondContact O-N 2.86Å; D104-M106 PolarHBondContact O-N 3.15Å; D104-L107 HydrophobicContact CB-CD1 4.24Å; D104-L107 WeakPolarHBondContact O-CB 3.49Å; D104-L107 VanDerWaalsContact O-CG 3.29Å; D104-L107 WeakPolarHBondContact O-CG 3.29Å; D104-L107 PolarHBondContact O-N 3.44Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.28Å; D104-R132 IonicContact OD1-CZ 2.7Å; D104-R132 IonicContact OD1-NE 2.72Å; D104-R132 PolarHBondContact OD1-NE 3.14Å; D104-R132 IonicContact OD1-NH2 3.37Å; D104-R132 PolarHBondContact OD1-NH2 2.84Å; D104-R132 IonicContact OD2-CZ 2.93Å; D104-R132 IonicContact OD2-NE 3.51Å; D104-R132 IonicContact OD2-NH2 2.62Å; D104-R132 PolarHBondContact OD2-NH2 2.82Å |
| 105 | G | 82.4 | Confident | 81.5 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 55% | 0.546 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -64.5 | 0.7 | 175 | 0 | 0 | 0 | 0 | 0 | 116 | C103 | C103-G105 PolarHBondContact O-N 3.28Å; C103-G105 VanDerWaalsContact O-N 3.14Å |
| 106 | M | 85.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -111.9 | 1.1 | 173.9 | -63.5 | -55.3 | -69.2 | 0 | 0 | 113.3 | L77 P79 V84 L102 C103 D104 H109 L110 | L77-M106 HydrophobicContact CD2-CB 4.34Å; L77-M106 HydrophobicContact CD2-CE 3.74Å; L77-M106 HydrophobicContact CG-CE 3.99Å; P79-M106 VanDerWaalsContact CA-SD 3.58Å; P79-M106 HydrophobicContact CB-SD 4.07Å; V84-M106 HydrophobicContact CB-CE 4.47Å; V84-M106 HydrophobicContact CG1-CE 3.75Å; V84-M106 HydrophobicContact CG2-CE 3.85Å; L102-M106 HydrophobicContact CB-CB 4.16Å; C103-M106 WeakPolarHBondContact O-CB 3.38Å; C103-M106 PolarHBondContact O-N 3.06Å; D104-M106 PolarHBondContact O-N 3.15Å; M106-H109 HydrophobicContact CE-CB 3.98Å; M106-H109 WeakPolarHBondContact O-CB 3.38Å; M106-H109 PolarHBondContact O-N 2.86Å; M106-H109 VanDerWaalsContact O-N 3.11Å; M106-L110 PolarHBondContact O-N 2.96Å |
| 107 | L | 83.1 | Confident | 81.9 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -40.2 | -178.8 | -67.1 | 169.6 | 0 | 0 | 0 | 112.4 | I53 L102 D104 H109 L110 R132 W135 L136 | I53-L107 HydrophobicContact CD1-CD2 4.21Å; L102-L107 HydrophobicContact CD1-CD2 3.8Å; L102-L107 HydrophobicContact CD1-CG 4.42Å; D104-L107 HydrophobicContact CB-CD1 4.24Å; D104-L107 WeakPolarHBondContact O-CB 3.49Å; D104-L107 VanDerWaalsContact O-CG 3.29Å; D104-L107 WeakPolarHBondContact O-CG 3.29Å; D104-L107 PolarHBondContact O-N 3.44Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.28Å; L107-H109 PolarHBondContact O-N 2.85Å; L107-L110 HydrophobicContact CD2-CD1 3.97Å; L107-L110 PolarHBondContact O-N 2.88Å; L107-R132 HydrophobicContact CD1-CB 3.97Å; L107-R132 HydrophobicContact CD1-CG 3.81Å; L107-W135 HydrophobicContact CB-CB 4.02Å; L107-W135 HydrophobicContact CB-CG 4.08Å; L107-L136 HydrophobicContact CD2-CD2 4.44Å |
| 108 | E | 78.7 | Confident | 82.4 | Confident | 123 Ų | 123 | 38 Ų | 38 | 58% | 0.575 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.6 | 173.4 | 70.3 | -179.2 | 178.8 | 0 | 0 | 112.9 | W135 | E108-W135 HydrophobicContact CB-CH2 3.93Å; E108-W135 HydrophobicContact CB-CZ2 4.08Å; E108-W135 HydrophobicContact CB-CZ3 4.27Å |
| 109 | H | 76.7 | Confident | 82.6 | Confident | 76 Ų | 76 | 34.3 Ų | 34.3 | 35% | 0.352 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -16 | -176.4 | -72.5 | 80.3 | 0 | 0 | 0 | 113.3 | V84 L88 M106 L107 G111 | V84-H109 HydrophobicContact CG1-CB 4.36Å; L88-H109 WeakPolarHBondContact CD1-O 3.26Å; M106-H109 HydrophobicContact CE-CB 3.98Å; M106-H109 WeakPolarHBondContact O-CB 3.38Å; M106-H109 PolarHBondContact O-N 2.86Å; M106-H109 VanDerWaalsContact O-N 3.11Å; L107-H109 PolarHBondContact O-N 2.85Å; H109-G111 VanDerWaalsContact C-N 3.28Å; H109-G111 PolarHBondContact O-N 3.28Å |
| 110 | L | 76.2 | Confident | 82.7 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | trans | -62.8 | -31.6 | -178.1 | -86.7 | 160.6 | 0 | 0 | 0 | 113.2 | I51 L88 L100 L102 M106 L107 V113 | I51-L110 HydrophobicContact CD1-CD2 4.1Å; L88-L110 HydrophobicContact CD2-CD2 4.08Å; L100-L110 HydrophobicContact CD2-CD2 4.31Å; L102-L110 HydrophobicContact CD1-CD1 4.48Å; L102-L110 HydrophobicContact CD2-CD1 3.85Å; L102-L110 HydrophobicContact CD2-CD2 3.84Å; L102-L110 HydrophobicContact CD2-CG 4Å; M106-L110 PolarHBondContact O-N 2.96Å; L107-L110 HydrophobicContact CD2-CD1 3.97Å; L107-L110 PolarHBondContact O-N 2.88Å; L110-V113 HydrophobicContact CD2-CG2 4Å | ||
| 111 | G | 71.9 | Confident | 82.5 | Confident | 41 Ų | 41 | 35 Ų | 35 | 42% | 0.423 | 20% | 0.204 | S | C | . | . | trans | 65.9 | -129.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | H109 S139 | H109-G111 VanDerWaalsContact C-N 3.28Å; H109-G111 PolarHBondContact O-N 3.28Å; G111-S139 VanDerWaalsContact O-CA 3.29Å; G111-S139 WeakPolarHBondContact O-CA 3.43Å; G111-S139 WeakPolarHBondContact O-CB 3.46Å; G111-S139 PolarHBondContact O-OG 3.17Å | ||
| 112 | V | 69.5 | Low | 82.2 | Confident | 118 Ų | 118 | 37 Ų | 37 | 72% | 0.715 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -116.2 | 119.8 | 171.2 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 113 | V | 73.9 | Confident | 81.7 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | trans | -133.5 | 144.6 | 178.2 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | I51 W91 L110 A115 S139 | I51-V113 HydrophobicContact CD1-CG2 4.2Å; W91-V113 HydrophobicContact CZ3-CB 4.26Å; W91-V113 HydrophobicContact CZ3-CG2 4.26Å; L110-V113 HydrophobicContact CD2-CG2 4Å; V113-A115 PolarHBondContact O-N 3.39Å; V113-S139 CarbonylContact C-O 3.56Å; V113-S139 VanDerWaalsContact CG2-O 3.25Å; V113-S139 WeakPolarHBondContact CG2-O 3.2Å; V113-S139 PolarHBondContact N-O 3.41Å | ||
| 114 | E | 72.1 | Confident | 81.1 | Confident | 147 Ų | 147 | 40.4 Ų | 40.4 | 69% | 0.687 | 24% | 0.235 | S | C | * | . | trans | -79.9 | 117.2 | 166.9 | -66.8 | 171.2 | 160.6 | 0 | 0 | 108 | K49 | K49-E114 WeakPolarHBondContact CD-O 3.5Å; K49-E114 IonicContact NZ-OE2 3.09Å | ||
| 115 | A | 79.7 | Confident | 80.7 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 5% | 0.05 | 26% | 0.255 | C | S | . | . | trans | -125.3 | 137.1 | 171 | 0 | 0 | 0 | 0 | 0 | 108.4 | I51 W91 V113 A140 A143 | I51-A115 HydrophobicContact CD1-CB 3.72Å; I51-A115 HydrophobicContact CG1-CB 3.98Å; W91-A115 HydrophobicContact CH2-CB 4.35Å; V113-A115 PolarHBondContact O-N 3.39Å; A115-A140 HydrophobicContact CB-CB 4.29Å; A115-A143 VanDerWaalsContact O-CB 3.29Å; A115-A143 WeakPolarHBondContact O-CB 3.4Å | ||
| 116 | N | 82.8 | Confident | 80.3 | Confident | 75 Ų | 75 | 47.8 Ų | 47.8 | 40% | 0.401 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -88.3 | -31.9 | -179.5 | -58.1 | 90.4 | 0 | 0 | 0 | 111.4 | E48 K49 E144 | E48-N116 HydrophobicContact CB-CB 4.22Å; E48-N116 HydrophobicContact CG-CB 4.36Å; K49-N116 PolarHBondContact N-OD1 3.13Å; K49-N116 PolarHBondContact O-N 3.38Å; N116-E144 PolarHBondContact O-N 3.34Å |
| 117 | L | 85.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 133.7 | -178.6 | -179.5 | 69.4 | 0 | 0 | 0 | 109.8 | T39 K49 T50 I51 I119 E144 L146 | T39-L117 HydrophobicContact CG2-CD2 4.4Å; K49-L117 PolarHBondContact O-N 3.38Å; T50-L117 WeakPolarHBondContact CA-O 3.47Å; T50-L117 HydrophobicContact CG2-CB 4.19Å; T50-L117 HydrophobicContact CG2-CD2 3.87Å; T50-L117 HydrophobicContact CG2-CG 4.14Å; I51-L117 PolarHBondContact N-O 3.15Å; L117-I119 HydrophobicContact CD1-CG1 4.46Å; L117-I119 HydrophobicContact CD2-CD1 3.72Å; L117-I119 HydrophobicContact CD2-CG1 3.76Å; L117-I119 HydrophobicContact CG-CD1 4.34Å; L117-I119 HydrophobicContact CG-CG1 3.81Å; L117-E144 WeakPolarHBondContact CA-O 3.31Å; L117-E144 HydrophobicContact CD1-CB 3.99Å; L117-E144 HydrophobicContact CD1-CG 4.1Å; L117-L146 HydrophobicContact CD1-CB 4.08Å |
| 118 | V | 88.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.4 | 168.6 | 176.1 | 0 | 0 | 0 | 0 | 108 | I51 I53 L136 A140 A143 E144 M145 L146 | I51-V118 HydrophobicContact CB-CG2 4.34Å; I53-V118 HydrophobicContact CD1-CG1 3.46Å; I53-V118 VanDerWaalsContact CD1-CG1 3.46Å; I53-V118 HydrophobicContact CG1-CG1 4.11Å; V118-L136 HydrophobicContact CG1-CD1 4.11Å; V118-L136 HydrophobicContact CG1-CD2 4.34Å; V118-L136 HydrophobicContact CG2-CD2 4.41Å; V118-A140 HydrophobicContact CG2-CB 4.22Å; V118-A143 HydrophobicContact CG2-CB 3.87Å; V118-E144 PolarHBondContact N-O 3.46Å; V118-M145 HydrophobicContact CB-CE 4.41Å; V118-M145 HydrophobicContact CB-SD 3.69Å; V118-M145 HydrophobicContact CG1-SD 4.01Å; V118-M145 HydrophobicContact CG2-CE 4.36Å; V118-M145 HydrophobicContact CG2-SD 4.28Å; V118-L146 PolarHBondContact O-N 3.14Å |
| 119 | I | 90.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 114.3 | 179.5 | -47.9 | -178.6 | 0 | 0 | 0 | 109.4 | L36 L40 T50 I51 L52 I53 L117 T121 L146 I148 | L36-I119 HydrophobicContact CD1-CD1 3.55Å; L36-I119 HydrophobicContact CD1-CG2 3.9Å; L40-I119 HydrophobicContact CD2-CD1 4.23Å; T50-I119 HydrophobicContact CG2-CD1 3.86Å; T50-I119 HydrophobicContact CG2-CG1 4.04Å; I51-I119 PolarHBondContact O-N 3.34Å; L52-I119 HydrophobicContact CD2-CB 4.06Å; L52-I119 HydrophobicContact CD2-CD1 4Å; L52-I119 HydrophobicContact CD2-CG1 4.46Å; L52-I119 HydrophobicContact CD2-CG2 4.45Å; I53-I119 PolarHBondContact N-O 3.46Å; L117-I119 HydrophobicContact CD1-CG1 4.46Å; L117-I119 HydrophobicContact CD2-CD1 3.72Å; L117-I119 HydrophobicContact CD2-CG1 3.76Å; L117-I119 HydrophobicContact CG-CD1 4.34Å; L117-I119 HydrophobicContact CG-CG1 3.81Å; I119-T121 HydrophobicContact CG2-CG2 3.99Å; I119-T121 PolarHBondContact O-N 2.98Å; I119-L146 CarbonylContact C-O 3.57Å; I119-L146 VanDerWaalsContact CA-O 3.32Å; I119-L146 WeakPolarHBondContact CA-O 3.15Å; I119-L146 HydrophobicContact CD1-CD2 4.17Å; I119-L146 HydrophobicContact CG1-CB 4.26Å; I119-L146 HydrophobicContact CG1-CD2 4.15Å; I119-L146 HydrophobicContact CG2-CB 4.37Å; I119-L146 HydrophobicContact CG2-CD2 4.09Å; I119-L146 HydrophobicContact CG2-CG 4.2Å; I119-I148 HydrophobicContact CG2-CD1 4.18Å; I119-I148 HydrophobicContact CG2-CG1 4.38Å |
| 120 | H | 90.7 | Very high | 79.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 107.2 | 168.4 | -57.2 | -69.5 | 0 | 0 | 0 | 108.9 | R132 L146 V147 I148 | H120-R132 WeakPolarHBondContact ND1-CD 3.17Å; H120-R132 PolarHBondContact ND1-NH1 2.87Å; H120-L146 PolarHBondContact N-O 3.32Å; H120-V147 HydrophobicContact CB-CG2 4.32Å; H120-I148 PolarHBondContact O-N 3.42Å |
| 121 | T | 86.6 | Confident | 79.9 | Confident | 25 Ų | 25 | 60 Ų | 60 | 15% | 0.153 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -92.3 | -21.1 | -178 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | L36 L52 I53 C54 L63 I119 | L36-T121 HydrophobicContact CD2-CG2 3.9Å; L52-T121 HydrophobicContact CD2-CG2 3.94Å; I53-T121 PolarHBondContact O-N 2.9Å; I53-T121 PolarHBondContact O-OG1 3.44Å; C54-T121 PolarHBondContact SG-OG1 3.08Å; L63-T121 HydrophobicContact CD2-CG2 3.87Å; I119-T121 HydrophobicContact CG2-CG2 3.99Å; I119-T121 PolarHBondContact O-N 2.98Å |
| 122 | T | 84.1 | Confident | 80.7 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -137.2 | 139.7 | 165.1 | 49.5 | 0 | 0 | 0 | 0 | 109.7 | C54 Q55 E59 R132 | C54-T122 WeakPolarHBondContact CA-OG1 3.07Å; Q55-T122 PolarHBondContact N-OG1 3.42Å; E59-T122 WeakPolarHBondContact OE2-CB 3.26Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.36Å; E59-T122 PolarHBondContact OE2-OG1 2.62Å; T122-R132 PolarHBondContact O-NH1 3.38Å |
| 123 | L | 80.7 | Confident | 81.3 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 125.1 | 179.4 | -77 | 173.4 | 0 | 0 | 0 | 110.4 | F129 V147 T149 | L123-F129 HydrophobicContact CD2-CD2 3.95Å; L123-F129 HydrophobicContact CD2-CE2 3.67Å; L123-F129 HydrophobicContact CD2-CZ 4.1Å; L123-V147 HydrophobicContact CD1-CG1 3.7Å; L123-V147 HydrophobicContact CD2-CG1 3.77Å; L123-V147 HydrophobicContact CG-CG1 3.91Å; L123-T149 HydrophobicContact CD1-CG2 4.23Å |
| 124 | P | 78.5 | Confident | 81.6 | Confident | 14 Ų | 14 | 61 Ų | 61 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 172.9 | 171.5 | 37.9 | -35.4 | 0 | 0 | 0 | 110.9 | Q55 K128 F129 | Q55-P124 HydrophobicContact CG-CB 4.18Å; P124-K128 HydrophobicContact CB-CB 3.92Å; P124-K128 HydrophobicContact CG-CB 4.11Å; P124-F129 HydrophobicContact CG-CB 4.05Å; P124-F129 HydrophobicContact CG-CD2 4.44Å |
| 125 | E | 77.7 | Confident | 82 | Confident | 128 Ų | 128 | 58.2 Ų | 58.2 | 60% | 0.598 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 146.6 | 170.6 | -60 | 159.4 | 141.9 | 0 | 0 | 111.9 | N127 K128 F129 | E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 2.75Å; E125-N127 VanDerWaalsContact O-N 3.11Å; E125-K128 WeakPolarHBondContact O-CA 3.46Å; E125-K128 WeakPolarHBondContact O-CB 3.48Å; E125-K128 PolarHBondContact O-N 2.88Å; E125-K128 WeakPolarHBondContact OE2-CE 3.35Å; E125-K128 IonicContact OE2-NZ 2.62Å; E125-K128 PolarHBondContact OE2-NZ 3.2Å; E125-F129 PolarHBondContact O-N 3.33Å |
| 126 | L | 74.5 | Confident | 82.1 | Confident | 115 Ų | 115 | 58 Ų | 58 | 60% | 0.602 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -45.9 | -50.2 | -171 | -175.5 | 64.7 | 0 | 0 | 0 | 113.7 | K128 F129 E130 | L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 3.29Å; L126-F129 CarbonylContact O-C 3.42Å; L126-F129 WeakPolarHBondContact O-CA 3.44Å; L126-F129 WeakPolarHBondContact O-CB 3.48Å; L126-F129 PolarHBondContact O-N 2.7Å; L126-E130 PolarHBondContact O-N 2.95Å |
| 127 | N | 73.7 | Confident | 81.6 | Confident | 128 Ų | 128 | 58.1 Ų | 58.1 | 68% | 0.684 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.7 | -36.3 | -179 | -56.4 | -0 | 0 | 0 | 0 | 113 | E125 E131 | E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 2.75Å; E125-N127 VanDerWaalsContact O-N 3.11Å; N127-E131 PolarHBondContact O-N 3.31Å; N127-E131 VanDerWaalsContact O-N 3.16Å |
| 128 | K | 76.6 | Confident | 80.8 | Confident | 96 Ų | 96 | 62 Ų | 62 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -79.6 | -29.5 | 176.3 | -70.6 | 169 | -177.2 | 152.7 | 0 | 111.6 | P124 E125 L126 E131 R132 | P124-K128 HydrophobicContact CB-CB 3.92Å; P124-K128 HydrophobicContact CG-CB 4.11Å; E125-K128 WeakPolarHBondContact O-CA 3.46Å; E125-K128 WeakPolarHBondContact O-CB 3.48Å; E125-K128 PolarHBondContact O-N 2.88Å; E125-K128 WeakPolarHBondContact OE2-CE 3.35Å; E125-K128 IonicContact OE2-NZ 2.62Å; E125-K128 PolarHBondContact OE2-NZ 3.2Å; L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 3.29Å; K128-E131 PolarHBondContact O-N 3.14Å; K128-R132 WeakPolarHBondContact O-CB 3.19Å; K128-R132 PolarHBondContact O-N 2.75Å |
| 129 | F | 82.4 | Confident | 79.8 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.5 | -41 | 172.1 | -170.8 | -117.1 | 0 | 0 | 0 | 111.1 | F21 L123 P124 E125 L126 R132 L133 | F21-F129 HydrophobicContact CE1-CZ 4.4Å; L123-F129 HydrophobicContact CD2-CD2 3.95Å; L123-F129 HydrophobicContact CD2-CE2 3.67Å; L123-F129 HydrophobicContact CD2-CZ 4.1Å; P124-F129 HydrophobicContact CG-CB 4.05Å; P124-F129 HydrophobicContact CG-CD2 4.44Å; E125-F129 PolarHBondContact O-N 3.33Å; L126-F129 CarbonylContact O-C 3.42Å; L126-F129 WeakPolarHBondContact O-CA 3.44Å; L126-F129 WeakPolarHBondContact O-CB 3.48Å; L126-F129 PolarHBondContact O-N 2.7Å; F129-R132 WeakPolarHBondContact O-CB 3.19Å; F129-R132 PolarHBondContact O-N 3.3Å; F129-L133 HydrophobicContact CD1-CD1 4.05Å; F129-L133 HydrophobicContact CD1-CG 4.44Å; F129-L133 HydrophobicContact CE1-CD1 3.7Å; F129-L133 HydrophobicContact CE1-CG 4.2Å; F129-L133 HydrophobicContact CE2-CD2 4.45Å; F129-L133 HydrophobicContact CZ-CD1 4.14Å; F129-L133 HydrophobicContact CZ-CD2 4.16Å; F129-L133 HydrophobicContact CZ-CG 4.24Å; F129-L133 WeakPolarHBondContact O-CG 3.02Å; F129-L133 PolarHBondContact O-N 2.97Å |
| 130 | E | 79.4 | Confident | 78.6 | Confident | 113 Ų | 113 | 62.2 Ų | 62.2 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 171.6 | -71.3 | 179.9 | -177.8 | 0 | 0 | 112.1 | L126 L133 K134 | L126-E130 PolarHBondContact O-N 2.95Å; E130-L133 PolarHBondContact O-N 3.37Å; E130-K134 WeakPolarHBondContact O-CB 3.41Å; E130-K134 PolarHBondContact O-N 2.9Å |
| 131 | E | 79.5 | Confident | 77.3 | Confident | 112 Ų | 112 | 71.1 Ų | 71.1 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 172.9 | -176.4 | 170.8 | -152.8 | 0 | 0 | 112 | N127 K128 L133 K134 W135 | N127-E131 PolarHBondContact O-N 3.31Å; N127-E131 VanDerWaalsContact O-N 3.16Å; K128-E131 PolarHBondContact O-N 3.14Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-L133 PolarHBondContact O-N 3.23Å; E131-K134 WeakPolarHBondContact O-CB 3.27Å; E131-K134 PolarHBondContact O-N 3.25Å; E131-W135 VanDerWaalsContact O-CD1 3.23Å; E131-W135 PolarHBondContact O-N 3.15Å |
| 132 | R | 87.6 | Confident | 76.3 | Confident | 2 Ų | 2 | 78.1 Ų | 78.1 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.1 | -46 | 173.7 | 175.3 | -169.5 | -69.2 | -174.9 | -5.9 | 111.6 | D104 L107 H120 T122 K128 F129 W135 L136 | D104-R132 IonicContact OD1-CZ 2.7Å; D104-R132 IonicContact OD1-NE 2.72Å; D104-R132 PolarHBondContact OD1-NE 3.14Å; D104-R132 IonicContact OD1-NH2 3.37Å; D104-R132 PolarHBondContact OD1-NH2 2.84Å; D104-R132 IonicContact OD2-CZ 2.93Å; D104-R132 IonicContact OD2-NE 3.51Å; D104-R132 IonicContact OD2-NH2 2.62Å; D104-R132 PolarHBondContact OD2-NH2 2.82Å; L107-R132 HydrophobicContact CD1-CB 3.97Å; L107-R132 HydrophobicContact CD1-CG 3.81Å; H120-R132 WeakPolarHBondContact ND1-CD 3.17Å; H120-R132 PolarHBondContact ND1-NH1 2.87Å; T122-R132 PolarHBondContact O-NH1 3.38Å; K128-R132 WeakPolarHBondContact O-CB 3.19Å; K128-R132 PolarHBondContact O-N 2.75Å; F129-R132 WeakPolarHBondContact O-CB 3.19Å; F129-R132 PolarHBondContact O-N 3.3Å; R132-W135 PolarHBondContact O-N 3.45Å; R132-L136 HydrophobicContact CG-CD1 3.95Å; R132-L136 WeakPolarHBondContact O-CG 3.37Å; R132-L136 PolarHBondContact O-N 2.97Å |
| 133 | L | 82.8 | Confident | 75.9 | Confident | 46 Ų | 46 | 76.3 Ų | 76.3 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 177.7 | -69.4 | -176.9 | 0 | 0 | 0 | 112.3 | F21 F129 E130 E131 L136 S137 | F21-L133 HydrophobicContact CE1-CD1 4.4Å; F21-L133 HydrophobicContact CE1-CD2 3.71Å; F21-L133 HydrophobicContact CZ-CD1 3.96Å; F21-L133 HydrophobicContact CZ-CD2 3.7Å; F129-L133 HydrophobicContact CD1-CD1 4.05Å; F129-L133 HydrophobicContact CD1-CG 4.44Å; F129-L133 HydrophobicContact CE1-CD1 3.7Å; F129-L133 HydrophobicContact CE1-CG 4.2Å; F129-L133 HydrophobicContact CE2-CD2 4.45Å; F129-L133 HydrophobicContact CZ-CD1 4.14Å; F129-L133 HydrophobicContact CZ-CD2 4.16Å; F129-L133 HydrophobicContact CZ-CG 4.24Å; F129-L133 WeakPolarHBondContact O-CG 3.02Å; F129-L133 PolarHBondContact O-N 2.97Å; E130-L133 PolarHBondContact O-N 3.37Å; E131-L133 VanDerWaalsContact C-N 3.35Å; E131-L133 PolarHBondContact O-N 3.23Å; L133-L136 HydrophobicContact CD2-CD1 4.49Å; L133-L136 PolarHBondContact O-N 3.1Å; L133-S137 WeakPolarHBondContact O-CB 3.46Å; L133-S137 PolarHBondContact O-N 2.98Å |
| 134 | K | 80.3 | Confident | 76 | Confident | 145 Ų | 145 | 76.2 Ų | 76.2 | 63% | 0.63 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.8 | -46.5 | 174.3 | -175.8 | -179.5 | 178.2 | -177.4 | 0 | 111.3 | E130 E131 S137 | E130-K134 WeakPolarHBondContact O-CB 3.41Å; E130-K134 PolarHBondContact O-N 2.9Å; E131-K134 WeakPolarHBondContact O-CB 3.27Å; E131-K134 PolarHBondContact O-N 3.25Å; K134-S137 PolarHBondContact O-N 3.28Å; K134-S137 PolarHBondContact O-OG 3.37Å |
| 135 | W | 80.6 | Confident | 76.3 | Confident | 88 Ų | 88 | 76 Ų | 76 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 173.7 | -75.7 | 110.2 | 0 | 0 | 0 | 111.9 | L107 E108 E131 R132 S137 I138 S139 | L107-W135 HydrophobicContact CB-CB 4.02Å; L107-W135 HydrophobicContact CB-CG 4.08Å; E108-W135 HydrophobicContact CB-CH2 3.93Å; E108-W135 HydrophobicContact CB-CZ2 4.08Å; E108-W135 HydrophobicContact CB-CZ3 4.27Å; E131-W135 VanDerWaalsContact O-CD1 3.23Å; E131-W135 PolarHBondContact O-N 3.15Å; R132-W135 PolarHBondContact O-N 3.45Å; W135-S137 VanDerWaalsContact C-N 3.31Å; W135-S137 PolarHBondContact O-N 3.26Å; W135-I138 WeakPolarHBondContact O-CB 3.47Å; W135-I138 PolarHBondContact O-N 2.84Å; W135-S139 WeakPolarHBondContact O-CB 3.37Å; W135-S139 PolarHBondContact O-N 3.08Å; W135-S139 PolarHBondContact O-OG 3.11Å |
| 136 | L | 80.4 | Confident | 76.8 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -30.4 | 179.1 | -67.5 | 166.1 | 0 | 0 | 0 | 113.6 | I53 L107 V118 R132 L133 I138 S139 A140 M145 | I53-L136 HydrophobicContact CD1-CD1 3.72Å; I53-L136 HydrophobicContact CD1-CD2 3.87Å; I53-L136 HydrophobicContact CD1-CG 4.32Å; L107-L136 HydrophobicContact CD2-CD2 4.44Å; V118-L136 HydrophobicContact CG1-CD1 4.11Å; V118-L136 HydrophobicContact CG1-CD2 4.34Å; V118-L136 HydrophobicContact CG2-CD2 4.41Å; R132-L136 HydrophobicContact CG-CD1 3.95Å; R132-L136 WeakPolarHBondContact O-CG 3.37Å; R132-L136 PolarHBondContact O-N 2.97Å; L133-L136 HydrophobicContact CD2-CD1 4.49Å; L133-L136 PolarHBondContact O-N 3.1Å; L136-I138 PolarHBondContact O-N 2.88Å; L136-S139 PolarHBondContact O-N 3.07Å; L136-A140 HydrophobicContact CD2-CB 4.13Å; L136-A140 CarbonylContact O-C 3.55Å; L136-A140 WeakPolarHBondContact O-CA 3.33Å; L136-A140 PolarHBondContact O-N 3.06Å; L136-M145 HydrophobicContact CB-CE 4.41Å |
| 137 | S | 73.4 | Confident | 77.4 | Confident | 77 Ų | 77 | 65 Ų | 65 | 54% | 0.538 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -27.6 | 173.8 | 79.9 | 0 | 0 | 0 | 0 | 113.2 | L133 K134 W135 | L133-S137 WeakPolarHBondContact O-CB 3.46Å; L133-S137 PolarHBondContact O-N 2.98Å; K134-S137 PolarHBondContact O-N 3.28Å; K134-S137 PolarHBondContact O-OG 3.37Å; W135-S137 VanDerWaalsContact C-N 3.31Å; W135-S137 PolarHBondContact O-N 3.26Å |
| 138 | I | 69 | Low | 78 | Confident | 81 Ų | 81 | 59.3 Ų | 59.3 | 42% | 0.415 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -85.4 | -45.8 | 174.4 | -58.8 | 166.9 | 0 | 0 | 0 | 109.8 | W135 L136 | W135-I138 WeakPolarHBondContact O-CB 3.47Å; W135-I138 PolarHBondContact O-N 2.84Å; L136-I138 PolarHBondContact O-N 2.88Å |
| 139 | S | 67 | Low | 78 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -91.6 | -22.4 | -165.3 | -63.5 | 0 | 0 | 0 | 0 | 116.3 | G111 V113 W135 L136 | G111-S139 VanDerWaalsContact O-CA 3.29Å; G111-S139 WeakPolarHBondContact O-CA 3.43Å; G111-S139 WeakPolarHBondContact O-CB 3.46Å; G111-S139 PolarHBondContact O-OG 3.17Å; V113-S139 CarbonylContact C-O 3.56Å; V113-S139 VanDerWaalsContact CG2-O 3.25Å; V113-S139 WeakPolarHBondContact CG2-O 3.2Å; V113-S139 PolarHBondContact N-O 3.41Å; W135-S139 WeakPolarHBondContact O-CB 3.37Å; W135-S139 PolarHBondContact O-N 3.08Å; W135-S139 PolarHBondContact O-OG 3.11Å; L136-S139 PolarHBondContact O-N 3.07Å |
| 140 | A | 64.8 | Low | 76.9 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -144.4 | 60 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A115 V118 L136 | A115-A140 HydrophobicContact CB-CB 4.29Å; V118-A140 HydrophobicContact CG2-CB 4.22Å; L136-A140 HydrophobicContact CD2-CB 4.13Å; L136-A140 CarbonylContact O-C 3.55Å; L136-A140 WeakPolarHBondContact O-CA 3.33Å; L136-A140 PolarHBondContact O-N 3.06Å |
| 141 | R | 63.5 | Low | 75.5 | Confident | 186 Ų | 186 | 56.4 Ų | 56.4 | 70% | 0.702 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 137.5 | -176.9 | -67.4 | -175.8 | 176.7 | -170.1 | -1.1 | 112.1 | A143 | R141-A143 PolarHBondContact O-N 3.02Š|
| 142 | N | 65.3 | Low | 73.8 | Confident | 172 Ų | 172 | 56 Ų | 56 | 92% | 0.92 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 16.2 | 176.1 | -53 | -8.8 | 0 | 0 | 0 | 115.8 | ||
| 143 | A | 76.2 | Confident | 71.4 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 143.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A115 V118 R141 M145 | A115-A143 VanDerWaalsContact O-CB 3.29Å; A115-A143 WeakPolarHBondContact O-CB 3.4Å; V118-A143 HydrophobicContact CG2-CB 3.87Å; R141-A143 PolarHBondContact O-N 3.02Å; A143-M145 HydrophobicContact CB-CE 4.32Å |
| 144 | E | 82.3 | Confident | 69.1 | Low | 62 Ų | 62 | 67.1 Ų | 67.1 | 29% | 0.29 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 134.7 | 163.3 | -177.2 | 172.8 | -149 | 0 | 0 | 108.8 | K13 R43 N116 L117 V118 | K13-E144 IonicContact NZ-OE1 3.06Å; K13-E144 PolarHBondContact NZ-OE1 3.38Å; R43-E144 IonicContact CZ-OE2 3.07Å; R43-E144 IonicContact NH1-OE2 2.7Å; R43-E144 IonicContact NH2-OE2 2.68Å; R43-E144 PolarHBondContact NH2-OE2 3.06Å; N116-E144 PolarHBondContact O-N 3.34Å; L117-E144 WeakPolarHBondContact CA-O 3.31Å; L117-E144 HydrophobicContact CD1-CB 3.99Å; L117-E144 HydrophobicContact CD1-CG 4.1Å; V118-E144 PolarHBondContact N-O 3.46Å |
| 145 | M | 85.9 | Confident | 66.7 | Low | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.8 | 176.4 | -60.6 | -72.4 | 167.3 | 0 | 0 | 109.2 | T19 T20 F21 T22 V118 L136 A143 | T19-M145 HydrophobicContact CG2-CB 4.41Å; T19-M145 HydrophobicContact CG2-CE 4.27Å; T19-M145 HydrophobicContact CG2-CG 3.46Å; T19-M145 VanDerWaalsContact CG2-CG 3.46Å; T20-M145 PolarHBondContact O-N 2.81Å; F21-M145 CarbonylContact C-O 3.54Å; F21-M145 WeakPolarHBondContact CA-O 3.26Å; F21-M145 HydrophobicContact CD1-CB 3.37Å; F21-M145 HydrophobicContact CD1-CG 3.94Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.61Å; F21-M145 HydrophobicContact CE1-SD 4.36Å; F21-M145 HydrophobicContact CG-CB 4.02Å; F21-M145 HydrophobicContact CZ-CB 4.39Å; F21-M145 HydrophobicContact CZ-CG 4.05Å; T22-M145 PolarHBondContact N-O 3.24Å; V118-M145 HydrophobicContact CB-CE 4.41Å; V118-M145 HydrophobicContact CB-SD 3.69Å; V118-M145 HydrophobicContact CG1-SD 4.01Å; V118-M145 HydrophobicContact CG2-CE 4.36Å; V118-M145 HydrophobicContact CG2-SD 4.28Å; L136-M145 HydrophobicContact CB-CE 4.41Å; A143-M145 HydrophobicContact CB-CE 4.32Å |
| 146 | L | 87.2 | Confident | 64.2 | Low | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.1 | 171.1 | 177.9 | 62.9 | 0 | 0 | 0 | 108.7 | T22 A24 F35 T39 L117 V118 I119 H120 | T22-L146 HydrophobicContact CG2-CD1 4.13Å; T22-L146 CarbonylContact O-C 3.5Å; T22-L146 WeakPolarHBondContact O-CA 3.1Å; A24-L146 HydrophobicContact CB-CD1 4.16Å; F35-L146 HydrophobicContact CE1-CD2 4.35Å; T39-L146 HydrophobicContact CG2-CD2 4.29Å; L117-L146 HydrophobicContact CD1-CB 4.08Å; V118-L146 PolarHBondContact O-N 3.14Å; I119-L146 CarbonylContact C-O 3.57Å; I119-L146 VanDerWaalsContact CA-O 3.32Å; I119-L146 WeakPolarHBondContact CA-O 3.15Å; I119-L146 HydrophobicContact CD1-CD2 4.17Å; I119-L146 HydrophobicContact CG1-CB 4.26Å; I119-L146 HydrophobicContact CG1-CD2 4.15Å; I119-L146 HydrophobicContact CG2-CB 4.37Å; I119-L146 HydrophobicContact CG2-CD2 4.09Å; I119-L146 HydrophobicContact CG2-CG 4.2Å; H120-L146 PolarHBondContact N-O 3.32Å |
| 147 | V | 87.3 | Confident | 62 | Low | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.7 | 176.2 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | F21 T22 Y23 A24 H120 L123 | F21-V147 HydrophobicContact CD1-CG2 4.2Å; T22-V147 PolarHBondContact O-N 3.27Å; Y23-V147 WeakPolarHBondContact CA-O 3.37Å; Y23-V147 HydrophobicContact CD1-CB 3.64Å; Y23-V147 HydrophobicContact CD1-CG1 3.59Å; Y23-V147 HydrophobicContact CD1-CG2 4.23Å; Y23-V147 HydrophobicContact CE1-CB 3.8Å; Y23-V147 HydrophobicContact CE1-CG1 3.62Å; Y23-V147 HydrophobicContact CE1-CG2 3.91Å; Y23-V147 HydrophobicContact CG-CB 4.19Å; A24-V147 PolarHBondContact N-O 3.37Å; H120-V147 HydrophobicContact CB-CG2 4.32Å; L123-V147 HydrophobicContact CD1-CG1 3.7Å; L123-V147 HydrophobicContact CD2-CG1 3.77Å; L123-V147 HydrophobicContact CG-CG1 3.91Å |
| 148 | I | 86.4 | Confident | 60.1 | Low | 8 Ų | 8 | 85.5 Ų | 85.5 | 4% | 0.041 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 112.1 | 169.5 | -63.1 | 179.7 | 0 | 0 | 0 | 107.4 | P26 F35 L36 I119 H120 | P26-I148 HydrophobicContact CG-CG2 4.07Å; F35-I148 HydrophobicContact CD1-CD1 4.24Å; F35-I148 HydrophobicContact CE1-CD1 4.5Å; L36-I148 HydrophobicContact CB-CD1 4.15Å; L36-I148 HydrophobicContact CD1-CD1 4.02Å; L36-I148 HydrophobicContact CG-CD1 4.47Å; I119-I148 HydrophobicContact CG2-CD1 4.18Å; I119-I148 HydrophobicContact CG2-CG1 4.38Å; H120-I148 PolarHBondContact O-N 3.42Å |
| 149 | T | 76.9 | Confident | 58.1 | Low | 34 Ų | 34 | 85.4 Ų | 85.4 | 21% | 0.209 | 44% | 0.44 | C | S | . | . | trans | -80 | 135.8 | 167.2 | 43.3 | 0 | 0 | 0 | 0 | 109.2 | Y23 A24 S25 L123 | Y23-T149 HydrophobicContact CD1-CG2 4.35Å; A24-T149 PolarHBondContact O-N 2.89Å; A24-T149 PolarHBondContact O-OG1 2.86Å; A24-T149 VanDerWaalsContact O-OG1 3.09Å; S25-T149 WeakPolarHBondContact CA-OG1 3.49Å; S25-T149 PolarHBondContact OG-OG1 2.98Å; L123-T149 HydrophobicContact CD1-CG2 4.23Å | ||
| 150 | P | 59 | Low | 56.3 | Low | 85 Ų | 85 | 95.8 Ų | 95.8 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | trans | -67.4 | 139.3 | 170.7 | 29.2 | -33.1 | 0 | 0 | 0 | 109.8 | ||||
| 151 | C | 50.8 | Low | 54.5 | Low | 50 Ų | 50 | 99.1 Ų | 99.1 | 34% | 0.338 | 52% | 0.518 | S | S | . | . | trans | -83.3 | 113.9 | 152.8 | -87.3 | 0 | 0 | 0 | 0 | 108.1 | P26 K27 E153 | P26-C151 VanDerWaalsContact O-CB 3.29Å; P26-C151 WeakPolarHBondContact O-CB 3.37Å; P26-C151 PolarHBondContact O-SG 3.26Å; K27-C151 WeakPolarHBondContact O-CB 3.22Å; C151-E153 PolarHBondContact O-N 3.34Å | ||
| 152 | D | 42.9 | Very low | 53 | Low | 103 Ų | 103 | 99.6 Ų | 99.6 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | trans | -75.5 | 113.2 | 164.5 | -59.5 | -52.7 | 0 | 0 | 0 | 108.4 | E154 N155 | D152-E154 PolarHBondContact O-N 3.23Å; D152-N155 PolarHBondContact O-N 3.42Å | ||
| 153 | E | 37 | Very low | 51.1 | Low | 154 Ų | 154 | 97.9 Ų | 97.9 | 72% | 0.72 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 4.4 | -179.9 | -66.4 | 179.8 | 179.5 | 0 | 0 | 113.5 | S28 C151 | S28-E153 WeakPolarHBondContact CB-OE1 3.44Å; C151-E153 PolarHBondContact O-N 3.34Å |
| 154 | E | 34.8 | Very low | 48.9 | Very low | 129 Ų | 129 | 106.5 Ų | 106.5 | 60% | 0.603 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -12 | 173.9 | -62.5 | -160.1 | 114.7 | 0 | 0 | 113.7 | D152 K925 | D152-E154 PolarHBondContact O-N 3.23Å; E154-K925 IonicContact OE1-NZ 2.67Å; E154-K925 PolarHBondContact OE1-NZ 2.92Å |
| 155 | N | 29.8 | Very low | 46.3 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 65% | 0.647 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -95.4 | -9.9 | -172 | -77.8 | -36 | 0 | 0 | 0 | 117.1 | D152 K157 | D152-N155 PolarHBondContact O-N 3.42Å; N155-K157 PolarHBondContact O-N 2.95Å |
| 156 | E | 29.4 | Very low | 43.2 | Very low | 187 Ų | 187 | 118.3 Ų | 118.3 | 87% | 0.874 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 28.3 | 176.1 | -75.3 | -161.6 | 157.8 | 0 | 0 | 114 | ||
| 157 | K | 33.7 | Very low | 40.3 | Very low | 199 Ų | 199 | 125.5 Ų | 125.5 | 87% | 0.865 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 5.9 | 177 | -75.2 | -164.3 | 174.5 | -176.8 | 0 | 117.1 | N155 | N155-K157 PolarHBondContact O-N 2.95Š|
| 158 | E | 32.2 | Very low | 37.2 | Very low | 190 Ų | 190 | 131 Ų | 131 | 89% | 0.888 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -118.9 | 105.6 | 161.1 | -65.3 | -166.1 | 156.4 | 0 | 0 | 108.6 | ||
| 159 | G | 28.3 | Very low | 34.2 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | 172.1 | 17.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 160 | K | 28.9 | Very low | 31.7 | Very low | 221 Ų | 221 | 144 Ų | 144 | 96% | 0.961 | 76% | 0.758 | S | S | * | * | trans | -116.6 | 85.3 | 162.6 | -86.3 | -163 | 173 | -173 | 0 | 109.9 | ||||
| 161 | G | 27.4 | Very low | 29.8 | Very low | 71 Ų | 71 | 150.9 Ų | 150.9 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -171 | 83.4 | 179 | 0 | 0 | 0 | 0 | 0 | 109 | T163 | G161-T163 PolarHBondContact O-N 2.75Š| ||
| 162 | E | 30.7 | Very low | 28.5 | Very low | 196 Ų | 196 | 156.3 Ų | 156.3 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -72 | 122.1 | 175 | -65.6 | 174.9 | 137.8 | 0 | 0 | 109.8 | ||||
| 163 | T | 25.3 | Very low | 27.7 | Very low | 136 Ų | 136 | 156.6 Ų | 156.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -161 | 132.2 | 148.9 | -10.8 | 0 | 0 | 0 | 0 | 109.7 | G161 | G161-T163 PolarHBondContact O-N 2.75Š| ||
| 164 | E | 31.7 | Very low | 27 | Very low | 189 Ų | 189 | 157.4 Ų | 157.4 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -68.8 | 155 | 168.7 | -60.8 | 177.3 | 121.4 | 0 | 0 | 110.4 | ||||
| 165 | P | 26.7 | Very low | 26.4 | Very low | 125 Ų | 125 | 159.6 Ų | 159.6 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | -135.1 | 159.1 | 132.7 | 30.1 | -15.3 | 0 | 0 | 0 | 114.3 | ||||
| 166 | E | 22 | Very low | 26.2 | Very low | 195 Ų | 195 | 160.6 Ų | 160.6 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | trans | -74.2 | 163.2 | -170.9 | -58.8 | 166.2 | 111.8 | 0 | 0 | 114.3 | ||||
| 167 | I | 25.8 | Very low | 25.9 | Very low | 163 Ų | 163 | 158 Ų | 158 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -79.2 | 138.9 | 167.4 | -53.1 | 168.9 | 0 | 0 | 0 | 108.7 | ||||
| 168 | V | 22.7 | Very low | 25.5 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | trans | 168 | 147.1 | 132.4 | 151.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 169 | Q | 22.9 | Very low | 25.1 | Very low | 160 Ų | 160 | 150.7 Ų | 150.7 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | 79.2 | 99.6 | 160.3 | -88.2 | 161.1 | 62.2 | 0 | 0 | 122.9 | ||||
| 170 | Q | 23.2 | Very low | 25 | Very low | 155 Ų | 155 | 153.6 Ų | 153.6 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | 50.2 | 120.6 | 114.3 | -66.1 | -172.6 | 22 | 0 | 0 | 119.2 | |||||
| 171 | R | 20.6 | Very low | 24.8 | Very low | 228 Ų | 228 | 147.8 Ų | 147.8 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | -171.7 | 151 | 68.1 | -118.7 | 156.6 | -161.9 | -160.2 | 2.5 | 113.9 | |||||
| 172 | M | 23.1 | Very low | 24.7 | Very low | 165 Ų | 165 | 153.3 Ų | 153.3 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -68.2 | 166.9 | 159.6 | -78.2 | -176.5 | 79 | 0 | 0 | 111.3 | ||||
| 173 | P | 26.3 | Very low | 24.5 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -147.4 | 174.5 | 29.4 | 43.7 | -24.5 | 0 | 0 | 0 | 119.1 | ||||
| 174 | L | 22.5 | Very low | 24.4 | Very low | 171 Ų | 171 | 151 Ų | 151 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -129.6 | 149.2 | 143 | -95.3 | 170.6 | 0 | 0 | 0 | 109.5 | ||||
| 175 | K | 22.4 | Very low | 24.1 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -90 | 156.2 | -171.5 | -75.4 | -174.3 | 168.2 | -164 | 0 | 113.2 | ||||
| 176 | V | 24.6 | Very low | 24 | Very low | 141 Ų | 141 | 152.1 Ų | 152.1 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -124.1 | 127.5 | 158 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 177 | D | 23.4 | Very low | 24.1 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -144.4 | 138.4 | 169.1 | -76.4 | -60.7 | 0 | 0 | 0 | 106.7 | ||||
| 178 | A | 25.9 | Very low | 24.1 | Very low | 77 Ų | 77 | 150.3 Ų | 150.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -165.6 | 146.1 | -21 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 179 | L | 23.1 | Very low | 24.1 | Very low | 159 Ų | 159 | 153.7 Ų | 153.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -171.9 | 121.4 | 133.2 | -126.4 | 71.8 | 0 | 0 | 0 | 113 | ||||
| 180 | N | 25.4 | Very low | 24.1 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 19.4 | 151.1 | 132.5 | -61.3 | -1.9 | 0 | 0 | 0 | 122 | ||||
| 181 | S | 25.9 | Very low | 24.2 | Very low | 99 Ų | 99 | 150.6 Ų | 150.6 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | cis | 175.5 | 137.4 | -20.9 | 52.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 182 | M | 24.5 | Very low | 25.2 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -152.9 | 126 | 146.7 | -95.7 | -163.6 | 72.7 | 0 | 0 | 110.2 | ||||
| 183 | Q | 26.6 | Very low | 26.3 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | -86 | 167.8 | 162.3 | -64.5 | 175.4 | -46.4 | 0 | 0 | 107.4 | ||||
| 184 | L | 23.1 | Very low | 26.3 | Very low | 148 Ų | 148 | 143 Ų | 143 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | cis | -147.5 | 146 | 43.6 | -84 | 98.6 | 0 | 0 | 0 | 112.9 | ||||
| 185 | Y | 25.7 | Very low | 26.5 | Very low | 170 Ų | 170 | 140 Ų | 140 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | 33.9 | 154.1 | 119.7 | -62.7 | -85.1 | 0 | 0 | 0 | 120.5 | I187 | Y185-I187 HydrophobicContact CD1-CG1 4.47Š| |||
| 186 | E | 23.3 | Very low | 26.7 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | cis | -135.8 | 134.8 | 29.3 | -74.8 | -179.4 | 143.1 | 0 | 0 | 113 | ||||
| 187 | I | 25.7 | Very low | 26.9 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | 87.3 | 148.8 | 98.6 | -62.2 | 172.1 | 0 | 0 | 0 | 114.4 | Y185 | Y185-I187 HydrophobicContact CD1-CG1 4.47Š| |||
| 188 | K | 24.3 | Very low | 27.2 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -116.5 | 154.9 | -169.6 | -58.6 | 172.6 | 174.8 | 179.3 | 0 | 113.1 | ||||
| 189 | E | 23.5 | Very low | 27.2 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -134.1 | 139.1 | 136.9 | -63.7 | -167.9 | 126.9 | 0 | 0 | 106 | ||||
| 190 | N | 24 | Very low | 27.4 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | cis | 64.3 | 125 | 35.6 | -69.8 | 6.5 | 0 | 0 | 0 | 113.2 | ||||
| 191 | T | 25.3 | Very low | 27.6 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | cis | -160.6 | 164.7 | 1.2 | 6.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 192 | P | 40.1 | Very low | 27.6 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -86.8 | -165.9 | 175.6 | 41.1 | -37.6 | 0 | 0 | 0 | 111.1 | ||||
| 193 | P | 46.6 | Very low | 27.8 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -128.5 | -145.9 | 8.2 | 30.1 | -1.9 | 0 | 0 | 0 | 113.3 | ||||
| 194 | T | 25.4 | Very low | 27.9 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | cis | -164.9 | 151.7 | 18.9 | -21.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 195 | S | 28.6 | Very low | 28 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 47.4 | 126.3 | 143.8 | 61.3 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 196 | S | 26.1 | Very low | 28.1 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -169.4 | 169.2 | 132 | 57.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 197 | E | 29.4 | Very low | 28.3 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | cis | -174.5 | 136.7 | -49 | -107.5 | -179.8 | 170.4 | 0 | 0 | 105.7 | ||||
| 198 | D | 28 | Very low | 28.3 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | 49.4 | 150.2 | 158.5 | -63.2 | -12.3 | 0 | 0 | 0 | 122.1 | ||||
| 199 | Y | 26.6 | Very low | 28.4 | Very low | 214 Ų | 214 | 134.1 Ų | 134.1 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | -162.8 | 179.9 | 62.4 | -108.6 | -86.8 | 0 | 0 | 0 | 116.1 | |||||
| 200 | K | 26.8 | Very low | 28.4 | Very low | 195 Ų | 195 | 130 Ų | 130 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | trans | -149.3 | 170.1 | -176.2 | -72.9 | 179.7 | -179.5 | 177 | 0 | 111.5 | ||||
| 201 | A | 30.6 | Very low | 28.5 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | cis | -180 | 139.5 | -33.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 202 | E | 25.7 | Very low | 29.4 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -137.6 | 141.3 | 178.9 | -68.4 | 175 | 155.2 | 0 | 0 | 109.1 | ||||
| 203 | A | 29.1 | Very low | 28.6 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | cis | 81.5 | 139.2 | 37.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 204 | D | 27.5 | Very low | 27.5 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | cis | -166.5 | -179.2 | -1 | -136.2 | -6.6 | 0 | 0 | 0 | 109.2 | ||||
| 205 | V | 26.9 | Very low | 27.7 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | cis | -167.3 | 165.7 | 0.2 | 65.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 206 | L | 26.9 | Very low | 27.8 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 67.9 | 155.6 | 159.1 | -55.8 | -179.1 | 0 | 0 | 0 | 118.8 | ||||
| 207 | L | 26.6 | Very low | 27.7 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | cis | -168.4 | 178 | -10.8 | -106.3 | 174.7 | 0 | 0 | 0 | 107.9 | ||||
| 208 | S | 25.8 | Very low | 27.5 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | cis | -163.6 | 146 | -5.2 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 209 | A | 26.4 | Very low | 27.4 | Very low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | 49.9 | 126.2 | 138.1 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 210 | A | 23.3 | Very low | 27.2 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | -176.9 | 146.6 | 114.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 211 | T | 25.9 | Very low | 27.2 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -157.1 | 177.9 | 179 | 32.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 212 | P | 45.2 | Very low | 26.9 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -132.3 | 170.9 | -36.3 | 36.8 | -21.3 | 0 | 0 | 0 | 113.9 | ||||
| 213 | A | 22.9 | Very low | 26.8 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -170.4 | 169.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 214 | T | 23.6 | Very low | 26.7 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | cis | -164.3 | 151 | -41.8 | -75.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 215 | I | 29.6 | Very low | 26.5 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -85.7 | 149.3 | -177.1 | -24.4 | 172.8 | 0 | 0 | 0 | 111.6 | ||||
| 216 | P | 30.4 | Very low | 26.4 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | -144.6 | 168.7 | 101.1 | 39.2 | -24.8 | 0 | 0 | 0 | 116 | |||||
| 217 | N | 25.1 | Very low | 26.4 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -37.2 | 163.4 | 159.9 | -82.6 | 49.8 | 0 | 0 | 0 | 115.3 | ||||
| 218 | D | 24.8 | Very low | 26.6 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | cis | -169.8 | 168.9 | 38.8 | -139.1 | 8.5 | 0 | 0 | 0 | 114.6 | ||||
| 219 | N | 24.8 | Very low | 26.8 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 56% | 0.561 | 78% | 0.775 | S | S | * | * | trans | 60.2 | 114.2 | 153.8 | -78.5 | -68.6 | 0 | 0 | 0 | 123.9 | ||||
| 220 | K | 24.3 | Very low | 26.9 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 55.9 | 105.2 | 130.5 | -60 | 174.6 | -173.8 | 171 | 0 | 120.5 | ||||
| 221 | E | 25.3 | Very low | 27.2 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -95.7 | 150.6 | 147 | -66.4 | -170.1 | 126.2 | 0 | 0 | 110.9 | ||||
| 222 | Q | 24.7 | Very low | 27.5 | Very low | 182 Ų | 182 | 134 Ų | 134 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | trans | -111.9 | 115.3 | 174.2 | -64.6 | -178.9 | -79.8 | 0 | 0 | 109.4 | I224 | Q222-I224 PolarHBondContact O-N 3.32Š| ||
| 223 | E | 24.5 | Very low | 26.8 | Very low | 180 Ų | 180 | 133.2 Ų | 133.2 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | trans | -72.2 | 117.1 | 172.3 | -70.9 | -168 | 135.8 | 0 | 0 | 111.2 | N225 | E223-N225 PolarHBondContact O-N 2.97Š| ||
| 224 | I | 25.4 | Very low | 27 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | -90.6 | 93.8 | 173.5 | -58.3 | 178.1 | 0 | 0 | 0 | 108.8 | Q222 L226 | Q222-I224 PolarHBondContact O-N 3.32Å; I224-L226 PolarHBondContact O-N 2.82Å | ||
| 225 | N | 24.4 | Very low | 27.4 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | trans | -80.4 | 111.3 | 171.8 | -91.5 | -72.7 | 0 | 0 | 0 | 111.1 | E223 S227 | E223-N225 PolarHBondContact O-N 2.97Å; N225-S227 PolarHBondContact O-N 2.84Å | ||
| 226 | L | 25.2 | Very low | 27.4 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | trans | -84.8 | 95.6 | 176.7 | -79 | 163.7 | 0 | 0 | 0 | 111.3 | I224 | I224-L226 PolarHBondContact O-N 2.82Š| ||
| 227 | S | 25.8 | Very low | 27.2 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 58% | 0.58 | 72% | 0.716 | S | S | * | * | trans | -74.8 | 140.7 | 165 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | N225 E229 | N225-S227 PolarHBondContact O-N 2.84Å; S227-E229 VanDerWaalsContact C-N 3.34Å | ||
| 228 | V | 31.3 | Very low | 27.3 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 79% | 0.788 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -86.2 | -5 | -175.8 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 229 | E | 30.8 | Very low | 27.4 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -25 | -166.8 | -62.1 | -176.1 | 122.7 | 0 | 0 | 115 | S227 A231 | S227-E229 VanDerWaalsContact C-N 3.34Å; E229-A231 VanDerWaalsContact C-N 3.34Å; E229-A231 PolarHBondContact O-N 2.79Å |
| 230 | D | 28.7 | Very low | 27.4 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 50% | 0.497 | 73% | 0.73 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | -9.1 | -171.8 | -167.7 | 48.3 | 0 | 0 | 0 | 114.7 | K234 | D230-K234 IonicContact OD1-NZ 2.67Å; D230-K234 IonicContact OD2-NZ 3.57Å; D230-K234 PolarHBondContact OD2-NZ 2.72Å |
| 231 | A | 28.6 | Very low | 27.3 | Very low | 70 Ų | 70 | 138.6 Ų | 138.6 | 58% | 0.579 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -71.9 | -31.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E229 | E229-A231 VanDerWaalsContact C-N 3.34Å; E229-A231 PolarHBondContact O-N 2.79Å |
| 232 | T | 31.5 | Very low | 27.1 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 61% | 0.613 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -78.9 | -27.4 | -170.3 | -33.2 | 0 | 0 | 0 | 0 | 113 | ||
| 233 | V | 30.9 | Very low | 27.1 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -78.8 | -37.2 | -176.4 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | L235 L236 | V233-L235 VanDerWaalsContact C-N 3.28Å; V233-L235 PolarHBondContact O-N 3.1Å; V233-L236 PolarHBondContact O-N 3.29Å |
| 234 | K | 28.2 | Very low | 27 | Very low | 139 Ų | 139 | 127 Ų | 127 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -72.8 | -15.7 | -179.4 | -75.3 | 164 | 179 | 158.8 | 0 | 114.4 | D230 | D230-K234 IonicContact OD1-NZ 2.67Å; D230-K234 IonicContact OD2-NZ 3.57Å; D230-K234 PolarHBondContact OD2-NZ 2.72Å |
| 235 | L | 30.4 | Very low | 27 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -7.7 | 178.6 | -102.2 | 164.6 | 0 | 0 | 0 | 114.8 | V233 | V233-L235 VanDerWaalsContact C-N 3.28Å; V233-L235 PolarHBondContact O-N 3.1Å |
| 236 | L | 29.6 | Very low | 27 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -104.7 | 2 | 177.8 | -73.7 | 169.5 | 0 | 0 | 0 | 113.8 | V233 | V233-L236 PolarHBondContact O-N 3.29Š|
| 237 | A | 27.6 | Very low | 26.9 | Very low | 92 Ų | 92 | 122.3 Ų | 122.3 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -108.7 | 11.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 238 | S | 27 | Very low | 26.8 | Very low | 74 Ų | 74 | 123.2 Ų | 123.2 | 52% | 0.517 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -129.6 | 13.1 | -166 | 44.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 239 | F | 26.5 | Very low | 26.5 | Very low | 186 Ų | 186 | 123.7 Ų | 123.7 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -136.6 | 71.5 | 176 | -81.6 | -79 | 0 | 0 | 0 | 112.6 | ||
| 240 | E | 23.9 | Very low | 26.2 | Very low | 195 Ų | 195 | 123.2 Ų | 123.2 | 91% | 0.911 | 74% | 0.744 | S | S | * | * | trans | -177.1 | 106 | 146 | -108.8 | 170.1 | -149 | 0 | 0 | 111.4 | ||||
| 241 | L | 23.3 | Very low | 26 | Very low | 188 Ų | 188 | 128 Ų | 128 | 98% | 0.984 | 76% | 0.764 | S | S | * | * | trans | -178 | 116.2 | 152.8 | -107.8 | 161.5 | 0 | 0 | 0 | 108.4 | ||||
| 242 | G | 21.8 | Very low | 25.8 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -175.1 | 13 | -168.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 243 | S | 24.1 | Very low | 25.5 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -162 | 124.6 | 165.7 | 56 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 244 | T | 23 | Very low | 25.9 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -85.6 | 147.4 | 166.2 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 245 | D | 23.6 | Very low | 25.7 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | 152.4 | 155.1 | 108.9 | -90.1 | -56.9 | 0 | 0 | 0 | 116 | |||||
| 246 | S | 24.3 | Very low | 25.3 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | 84.6 | 143.6 | 154.6 | 78.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 247 | A | 24.3 | Very low | 25.1 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | 64.5 | 89.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 248 | A | 22.7 | Very low | 24.9 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -82.8 | 145 | 149.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 249 | V | 26.2 | Very low | 24.7 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | -142.1 | 120.5 | 156.5 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 250 | D | 23.3 | Very low | 24.5 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -77.6 | 148.8 | 164 | -109.7 | -48.8 | 0 | 0 | 0 | 109.3 | ||||
| 251 | E | 25.7 | Very low | 24.5 | Very low | 194 Ų | 194 | 128.9 Ų | 128.9 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | -178.2 | 166.1 | 121.6 | -104.6 | -178 | -173.4 | 0 | 0 | 114.1 | |||||
| 252 | S | 24.8 | Very low | 24.5 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -110.7 | 134.3 | -156.3 | 65.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 253 | S | 24.9 | Very low | 24.5 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | 64.3 | -168.9 | 131.9 | -144 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 254 | P | 37.9 | Very low | 24.5 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | -126.2 | 164.2 | -97.9 | 40.7 | -25.9 | 0 | 0 | 0 | 115.3 | |||||
| 255 | A | 24.1 | Very low | 24.5 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -140.5 | 145.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 256 | A | 23.4 | Very low | 24.9 | Very low | 106 Ų | 106 | 130 Ų | 130 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -122.1 | 147.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 257 | A | 24.6 | Very low | 24.9 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -135.3 | 118.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 258 | K | 22.7 | Very low | 24.9 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -106.4 | 136 | 168.6 | -69.1 | 177.4 | 176.6 | 177.5 | 0 | 108.6 | ||||
| 259 | F | 23.2 | Very low | 25 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | 175.7 | 140.4 | 151.7 | -94.7 | -70.6 | 0 | 0 | 0 | 106.4 | ||||
| 260 | N | 23.7 | Very low | 24.9 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | -160 | 151.5 | -32.2 | -114.9 | 8.8 | 0 | 0 | 0 | 105.7 | ||||
| 261 | A | 22.3 | Very low | 25.1 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | -94.4 | 148.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 262 | P | 23.7 | Very low | 25.2 | Very low | 128 Ų | 128 | 136 Ų | 136 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -87.1 | 146.9 | 154.5 | 33.9 | -28.7 | 0 | 0 | 0 | 110.6 | ||||
| 263 | V | 22.6 | Very low | 25.8 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | -134.2 | 169.7 | 176.2 | 175 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 264 | Y | 23.3 | Very low | 26.1 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | 88.5 | 137.9 | 176.2 | -62.9 | -91.2 | 0 | 0 | 0 | 115.9 | ||||
| 265 | S | 23.9 | Very low | 25.9 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | cis | -163.2 | -171.1 | -16 | 62.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 266 | P | 32.3 | Very low | 26.3 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | trans | -95.8 | 165.8 | -150.1 | 40.2 | -40 | 0 | 0 | 0 | 115.3 | ||||
| 267 | F | 23.2 | Very low | 26.8 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -135.2 | 161.2 | 155.1 | -101.2 | -80.4 | 0 | 0 | 0 | 112.8 | ||||
| 268 | V | 23.8 | Very low | 27.1 | Very low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | -84.5 | 160.5 | -157 | 173 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 269 | T | 25.7 | Very low | 27.7 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | -56 | 148.1 | 175.9 | 51.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 270 | E | 23.7 | Very low | 28.3 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | trans | -148.3 | 147.6 | 142.1 | -126.3 | 170.6 | -142.7 | 0 | 0 | 111.3 | ||||
| 271 | N | 28.2 | Very low | 28.8 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | -106.3 | 143.3 | -175.9 | -85.2 | -36.1 | 0 | 0 | 0 | 111.5 | ||||
| 272 | P | 27.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -131.7 | 55.9 | 153.2 | 38.6 | -25.9 | 0 | 0 | 0 | 114.3 | K274 | P272-K274 PolarHBondContact O-N 3.04Å; P272-K274 VanDerWaalsContact O-N 3.13Å | ||
| 273 | T | 36.5 | Very low | 29.6 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.724 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 95.6 | 163.6 | 45.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 274 | K | 31.4 | Very low | 30.2 | Very low | 192 Ų | 192 | 132.5 Ų | 132.5 | 84% | 0.835 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.5 | -3.8 | 159.4 | -113.3 | 159.8 | -169.5 | 177.3 | 0 | 118.9 | P272 | P272-K274 PolarHBondContact O-N 3.04Å; P272-K274 VanDerWaalsContact O-N 3.13Å |
| 275 | S | 35.3 | Very low | 30.5 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 62% | 0.622 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -90.3 | -34.1 | -175.7 | -156.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 276 | L | 31.9 | Very low | 30.6 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -75.3 | -30.6 | -168.6 | -79.8 | 158 | 0 | 0 | 0 | 114.4 | A278 F280 | L276-A278 PolarHBondContact O-N 3.27Å; L276-F280 WeakPolarHBondContact O-CB 3.26Å; L276-F280 PolarHBondContact O-N 3.11Å; L276-F280 VanDerWaalsContact O-N 3.13Å |
| 277 | D | 33.4 | Very low | 30.4 | Very low | 115 Ų | 115 | 132 Ų | 132 | 62% | 0.615 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -65.4 | -25.7 | 178.2 | -66.4 | -53.1 | 0 | 0 | 0 | 112.7 | Q281 | D277-Q281 WeakPolarHBondContact O-CB 3.38Å; D277-Q281 WeakPolarHBondContact O-CG 3.38Å; D277-Q281 PolarHBondContact O-N 3.23Å; D277-Q281 VanDerWaalsContact O-N 3.07Å |
| 278 | A | 31.5 | Very low | 30.6 | Very low | 68 Ų | 68 | 130.3 Ų | 130.3 | 56% | 0.562 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72.6 | -52.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L276 F280 Q281 E282 | L276-A278 PolarHBondContact O-N 3.27Å; A278-F280 VanDerWaalsContact C-N 3.31Å; A278-F280 PolarHBondContact O-N 3.02Å; A278-Q281 PolarHBondContact O-N 3.16Å; A278-E282 PolarHBondContact O-N 3.29Å |
| 279 | E | 34.5 | Very low | 30.6 | Very low | 131 Ų | 131 | 131 Ų | 131 | 61% | 0.612 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -61.8 | -39.8 | 176.7 | -65.8 | -178.1 | 122.8 | 0 | 0 | 111.3 | E282 L283 | E279-E282 PolarHBondContact O-N 3.19Å; E279-L283 PolarHBondContact O-N 2.82Å |
| 280 | F | 35.8 | Very low | 30.5 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 58% | 0.583 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -65.8 | -40.7 | 177.6 | -165.2 | -105.1 | 0 | 0 | 0 | 112.5 | L276 A278 E282 L283 V284 | L276-F280 WeakPolarHBondContact O-CB 3.26Å; L276-F280 PolarHBondContact O-N 3.11Å; L276-F280 VanDerWaalsContact O-N 3.13Å; A278-F280 VanDerWaalsContact C-N 3.31Å; A278-F280 PolarHBondContact O-N 3.02Å; F280-E282 VanDerWaalsContact C-N 3.32Å; F280-E282 PolarHBondContact O-N 3.27Å; F280-L283 PolarHBondContact O-N 3.28Å; F280-V284 HydrophobicContact CD1-CG2 4.32Å; F280-V284 HydrophobicContact CE1-CG2 4.13Å; F280-V284 VanDerWaalsContact O-CG2 3.31Å; F280-V284 WeakPolarHBondContact O-CG2 3.44Å; F280-V284 PolarHBondContact O-N 3.32Å |
| 281 | Q | 33.8 | Very low | 30.8 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 60% | 0.603 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -70.7 | -24.7 | 175 | -76.8 | -165.4 | 26.2 | 0 | 0 | 113.9 | D277 A278 K285 | D277-Q281 WeakPolarHBondContact O-CB 3.38Å; D277-Q281 WeakPolarHBondContact O-CG 3.38Å; D277-Q281 PolarHBondContact O-N 3.23Å; D277-Q281 VanDerWaalsContact O-N 3.07Å; A278-Q281 PolarHBondContact O-N 3.16Å; Q281-K285 WeakPolarHBondContact O-CG 3.25Å; Q281-K285 PolarHBondContact O-N 3.44Å |
| 282 | E | 32 | Very low | 30.5 | Very low | 141 Ų | 141 | 131 Ų | 131 | 66% | 0.659 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.4 | -42.2 | 171.5 | -167 | 152.2 | -120.5 | 0 | 0 | 111.3 | A278 E279 F280 V284 K285 S286 | A278-E282 PolarHBondContact O-N 3.29Å; E279-E282 PolarHBondContact O-N 3.19Å; F280-E282 VanDerWaalsContact C-N 3.32Å; F280-E282 PolarHBondContact O-N 3.27Å; E282-V284 VanDerWaalsContact C-N 3.31Å; E282-V284 PolarHBondContact O-N 3.26Å; E282-K285 WeakPolarHBondContact O-CB 3.49Å; E282-K285 PolarHBondContact O-N 3.17Å; E282-K285 VanDerWaalsContact O-N 3.09Å; E282-S286 PolarHBondContact O-N 3.14Å |
| 283 | L | 32.5 | Very low | 30.3 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 57% | 0.565 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -58.1 | -42.3 | 172.5 | -150.6 | 87.1 | 0 | 0 | 0 | 111.9 | E279 F280 K285 S286 | E279-L283 PolarHBondContact O-N 2.82Å; F280-L283 PolarHBondContact O-N 3.28Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 2.99Å; L283-S286 PolarHBondContact O-N 3.16Å; L283-S286 VanDerWaalsContact O-N 3.16Å; L283-S286 PolarHBondContact O-OG 3.39Å |
| 284 | V | 33.3 | Very low | 29.7 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 46% | 0.461 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -65.1 | -25.6 | 177.6 | 167.6 | 0 | 0 | 0 | 0 | 113.1 | F280 E282 | F280-V284 HydrophobicContact CD1-CG2 4.32Å; F280-V284 HydrophobicContact CE1-CG2 4.13Å; F280-V284 VanDerWaalsContact O-CG2 3.31Å; F280-V284 WeakPolarHBondContact O-CG2 3.44Å; F280-V284 PolarHBondContact O-N 3.32Å; E282-V284 VanDerWaalsContact C-N 3.31Å; E282-V284 PolarHBondContact O-N 3.26Å |
| 285 | K | 29.8 | Very low | 29.4 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 65% | 0.648 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72.5 | -32.7 | 173.7 | -72.4 | 167.2 | -172 | 166.9 | 0 | 112.4 | Q281 E282 L283 F287 K288 | Q281-K285 WeakPolarHBondContact O-CG 3.25Å; Q281-K285 PolarHBondContact O-N 3.44Å; E282-K285 WeakPolarHBondContact O-CB 3.49Å; E282-K285 PolarHBondContact O-N 3.17Å; E282-K285 VanDerWaalsContact O-N 3.09Å; L283-K285 VanDerWaalsContact C-N 3.27Å; L283-K285 PolarHBondContact O-N 2.99Å; K285-F287 PolarHBondContact O-N 2.97Å; K285-K288 PolarHBondContact O-N 3.36Å |
| 286 | S | 27.5 | Very low | 28.8 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 62% | 0.615 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -66.7 | -20.1 | -180 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | E282 L283 | E282-S286 PolarHBondContact O-N 3.14Å; L283-S286 PolarHBondContact O-N 3.16Å; L283-S286 VanDerWaalsContact O-N 3.16Å; L283-S286 PolarHBondContact O-OG 3.39Å |
| 287 | F | 27.5 | Very low | 28.5 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 12 | -179.3 | -87.6 | -82.5 | 0 | 0 | 0 | 115.3 | K285 | K285-F287 PolarHBondContact O-N 2.97Š|
| 288 | K | 27 | Very low | 28.1 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | trans | -130.2 | 88.8 | 175.7 | -73.9 | -175 | 178.2 | 176.7 | 0 | 113.5 | K285 | K285-K288 PolarHBondContact O-N 3.36Š| ||
| 289 | V | 24.5 | Very low | 27.8 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | trans | -165.1 | 161.9 | 142.8 | 130.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 290 | Q | 23.8 | Very low | 27.4 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | -87.7 | 164 | -168.3 | -61.4 | 153.6 | -55.1 | 0 | 0 | 114.5 | V292 | Q290-V292 PolarHBondContact O-N 3.03Š| ||
| 291 | N | 28.8 | Very low | 27 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | trans | -6.8 | 97.5 | 155 | -63.7 | -14 | 0 | 0 | 0 | 118.2 | ||||
| 292 | V | 21.8 | Very low | 26.5 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -146.9 | 123.5 | 137.3 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | Q290 | Q290-V292 PolarHBondContact O-N 3.03Š| ||
| 293 | F | 23.9 | Very low | 26.1 | Very low | 223 Ų | 223 | 144.6 Ų | 144.6 | 98% | 0.978 | 77% | 0.773 | S | S | * | * | trans | -135.8 | 100.5 | 153 | -99.5 | -72.9 | 0 | 0 | 0 | 109.9 | ||||
| 294 | K | 24.7 | Very low | 25.8 | Very low | 181 Ų | 181 | 146 Ų | 146 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -135.9 | 123.2 | 165.9 | -116 | -176.8 | -179.7 | 178.6 | 0 | 107.8 | ||||
| 295 | N | 25.1 | Very low | 25.3 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 36.6 | 114.6 | 163.6 | -57.4 | 1 | 0 | 0 | 0 | 118.7 | ||||
| 296 | M | 21.5 | Very low | 25 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 95% | 0.951 | 81% | 0.809 | S | S | * | * | -143.7 | 153.2 | 125 | -108.3 | -178.3 | -170.1 | 0 | 0 | 110.5 | |||||
| 297 | N | 25.6 | Very low | 24.8 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -84.7 | 154.1 | -172.7 | -62.1 | -43.8 | 0 | 0 | 0 | 111.6 | ||||
| 298 | L | 24.3 | Very low | 24.8 | Very low | 168 Ų | 168 | 152.5 Ų | 152.5 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -119.4 | 153.1 | 166.6 | -82.6 | 166.6 | 0 | 0 | 0 | 110 | ||||
| 299 | P | 26.1 | Very low | 24.9 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 69% | 0.688 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 163 | -169.1 | 29.6 | -36.3 | 0 | 0 | 0 | 113.5 | ||
| 300 | P | 25.7 | Very low | 24.9 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65 | 141.3 | 177.8 | 27.7 | -35.3 | 0 | 0 | 0 | 111.9 | ||
| 301 | P | 26.9 | Very low | 25 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 154 | 174.7 | 31.6 | -35.2 | 0 | 0 | 0 | 111.7 | ||
| 302 | P | 23.5 | Very low | 24.8 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 141.8 | 177.4 | 29.5 | -34.8 | 0 | 0 | 0 | 112 | ||
| 303 | S | 25 | Very low | 24.9 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 125.8 | 173.9 | 54 | 0 | 0 | 0 | 0 | 111.6 | ||
| 304 | V | 24.8 | Very low | 24.9 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | trans | -130.5 | 145.4 | 166.7 | -178 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 305 | S | 22.4 | Very low | 24.9 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -66.5 | 153.8 | -164.7 | -47.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 306 | I | 24.8 | Very low | 24.8 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 82% | 0.821 | 82% | 0.821 | S | S | * | * | trans | -94.3 | 128.9 | 160.9 | -61.2 | 170.6 | 0 | 0 | 0 | 107.6 | ||||
| 307 | E | 23.2 | Very low | 25 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -116.6 | 130.9 | 158.1 | -68.9 | -171 | 149.7 | 0 | 0 | 108.2 | ||||
| 308 | E | 27.4 | Very low | 24.8 | Very low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | -79.5 | 159.3 | 169.7 | -61 | -173.5 | 143 | 0 | 0 | 109.9 | ||||
| 309 | P | 28.8 | Very low | 24.7 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | -141.7 | 131.9 | 112.6 | 33.5 | -19.7 | 0 | 0 | 0 | 115.9 | |||||
| 310 | V | 23.7 | Very low | 24.7 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | 42.8 | 132.7 | 121.8 | -169.2 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 311 | S | 26.7 | Very low | 24.5 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -73.4 | 154.4 | 177.8 | 57.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 312 | S | 24.5 | Very low | 24.3 | Very low | 128 Ų | 128 | 142 Ų | 142 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -160.7 | 171.7 | 136.1 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 313 | A | 24.7 | Very low | 24.3 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -132.2 | 146.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 314 | S | 23.8 | Very low | 24.2 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -172 | 171.9 | 155.1 | 46.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 315 | A | 24.6 | Very low | 24.1 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -140.7 | 137.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 316 | S | 23.4 | Very low | 24.2 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -174 | 124.9 | 156.6 | 55.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 317 | D | 24.1 | Very low | 24.1 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | 54 | 128.8 | 131.5 | -70.2 | 10 | 0 | 0 | 0 | 125.9 | ||||
| 318 | Y | 23.3 | Very low | 24 | Very low | 186 Ų | 186 | 142 Ų | 142 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | trans | 77.8 | 117.3 | 137 | -74.8 | -49.1 | 0 | 0 | 0 | 124.9 | ||||
| 319 | R | 21.3 | Very low | 23.8 | Very low | 208 Ų | 208 | 138.6 Ų | 138.6 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 83.7 | 125.2 | 135.4 | -68.7 | 177.1 | -174.1 | -163.4 | 0.6 | 121.1 | ||||
| 320 | H | 25.2 | Very low | 23.6 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | trans | 21.3 | 120.6 | 146 | -68 | -78 | 0 | 0 | 0 | 119.8 | ||||
| 321 | Q | 22.8 | Very low | 23.5 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | -150.5 | 166.1 | 98.8 | -116.8 | 168.2 | -18.4 | 0 | 0 | 111.7 | |||||
| 322 | I | 23.4 | Very low | 23.3 | Very low | 147 Ų | 147 | 147 Ų | 147 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -100.5 | 135.9 | 171.1 | -61.8 | 168.2 | 0 | 0 | 0 | 106.2 | ||||
| 323 | D | 22.2 | Very low | 23.3 | Very low | 159 Ų | 159 | 147 Ų | 147 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -149.3 | 158.7 | 146.5 | -133.6 | -33.5 | 0 | 0 | 0 | 112.1 | ||||
| 324 | T | 23.1 | Very low | 23.4 | Very low | 106 Ų | 106 | 150.9 Ų | 150.9 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -116.5 | 140.1 | -171.4 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 325 | T | 22.8 | Very low | 23.9 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | 177.9 | 170.1 | 136.2 | 23.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 326 | S | 23.8 | Very low | 24.3 | Very low | 118 Ų | 118 | 150 Ų | 150 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 69.4 | 102.6 | 170.5 | -139 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 327 | L | 22.4 | Very low | 25.1 | Very low | 146 Ų | 146 | 148 Ų | 148 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -65 | 151.6 | 142.9 | -58.9 | 88.1 | 0 | 0 | 0 | 108.9 | ||||
| 328 | D | 22.3 | Very low | 26 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | 163.4 | 101.6 | 117.8 | -90.3 | -12.3 | 0 | 0 | 0 | 112.4 | |||||
| 329 | S | 23.9 | Very low | 26.6 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | 179.3 | 79.5 | 142.9 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | R331 | S329-R331 PolarHBondContact O-N 2.77Š| ||
| 330 | I | 23 | Very low | 27.8 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 92% | 0.918 | 70% | 0.7 | S | S | * | * | trans | -72.9 | 95.6 | 171 | -59.3 | 178.1 | 0 | 0 | 0 | 108.7 | ||||
| 331 | R | 22.7 | Very low | 28.1 | Very low | 215 Ų | 215 | 123 Ų | 123 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | trans | -86.6 | 136 | 163.9 | -71.9 | -175.5 | 174.5 | 179.8 | -0.2 | 109.1 | S329 V333 | S329-R331 PolarHBondContact O-N 2.77Å; R331-V333 PolarHBondContact O-N 3.2Å | ||
| 332 | T | 23.1 | Very low | 28.9 | Very low | 141 Ų | 141 | 116.7 Ų | 116.7 | 87% | 0.865 | 66% | 0.66 | S | S | * | * | trans | -60.7 | 109.9 | 177.1 | 36 | 0 | 0 | 0 | 0 | 110.8 | K334 | T332-K334 PolarHBondContact O-N 2.97Å; T332-K334 VanDerWaalsContact O-N 3.15Å | ||
| 333 | V | 24.5 | Very low | 29.8 | Very low | 128 Ų | 128 | 115.9 Ų | 115.9 | 78% | 0.776 | 66% | 0.662 | S | S | * | * | trans | -70.5 | 109.8 | 179.2 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | R331 | R331-V333 PolarHBondContact O-N 3.2Š| ||
| 334 | K | 26.7 | Very low | 30.7 | Very low | 182 Ų | 182 | 109.9 Ų | 109.9 | 79% | 0.791 | 63% | 0.631 | S | S | * | * | trans | -62.2 | 136.5 | 162.1 | -72 | -175.8 | 175.4 | -178.3 | 0 | 108.7 | T332 S336 | T332-K334 PolarHBondContact O-N 2.97Å; T332-K334 VanDerWaalsContact O-N 3.15Å; K334-S336 PolarHBondContact O-N 2.93Å; K334-S336 PolarHBondContact O-OG 2.66Å | ||
| 335 | D | 33.1 | Very low | 31.8 | Very low | 127 Ų | 127 | 108.5 Ų | 108.5 | 68% | 0.679 | 62% | 0.616 | S | S | * | * | trans | -46.1 | 105.3 | 176.4 | -73.7 | -53.8 | 0 | 0 | 0 | 110.4 | ||||
| 336 | S | 33.2 | Very low | 32.6 | Very low | 85 Ų | 85 | 108 Ų | 108 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 141.4 | -174.9 | -67.7 | 0 | 0 | 0 | 0 | 108.8 | K334 A338 | K334-S336 PolarHBondContact O-N 2.93Å; K334-S336 PolarHBondContact O-OG 2.66Å; S336-A338 PolarHBondContact O-N 3.02Å; S336-A338 VanDerWaalsContact O-N 3.12Å |
| 337 | P | 40.6 | Very low | 33.7 | Very low | 71 Ų | 71 | 104.2 Ų | 104.2 | 46% | 0.461 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 120.5 | -171.4 | 22.9 | -33.8 | 0 | 0 | 0 | 110.8 | S339 | P337-S339 PolarHBondContact O-N 3.28Š|
| 338 | A | 41.9 | Very low | 35.5 | Very low | 7 Ų | 7 | 104.2 Ų | 104.2 | 6% | 0.058 | 60% | 0.601 | C | S | . | * | B | Isolated β-bridge | trans | -63.8 | 119.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S336 L340 L765 P766 | S336-A338 PolarHBondContact O-N 3.02Å; S336-A338 VanDerWaalsContact O-N 3.12Å; A338-L340 PolarHBondContact O-N 3.19Å; A338-L765 HydrophobicContact CB-CD2 4.19Å; A338-P766 HydrophobicContact CB-CG 4.05Å |
| 339 | S | 37 | Very low | 37.9 | Very low | 89 Ų | 89 | 98 Ų | 98 | 62% | 0.622 | 57% | 0.574 | S | S | * | * | trans | -80 | 104.8 | 178.6 | -169.7 | 0 | 0 | 0 | 0 | 111 | P337 A341 | P337-S339 PolarHBondContact O-N 3.28Å; S339-A341 PolarHBondContact O-N 3.13Å; S339-A341 VanDerWaalsContact O-N 3.1Å; S339-A341 WeakPolarHBondContact OG-CB 3.35Å | ||
| 340 | L | 46.1 | Very low | 40.8 | Very low | 23 Ų | 23 | 96.7 Ų | 96.7 | 12% | 0.12 | 56% | 0.558 | C | S | . | * | trans | -78.8 | 25.9 | 175 | -90.2 | 156.9 | 0 | 0 | 0 | 113.5 | A338 V342 V605 V609 L765 | A338-L340 PolarHBondContact O-N 3.19Å; L340-V342 PolarHBondContact O-N 3.25Å; L340-V605 HydrophobicContact CD2-CB 4.45Å; L340-V605 HydrophobicContact CD2-CG1 3.78Å; L340-V609 WeakPolarHBondContact CD1-O 3.32Å; L340-L765 HydrophobicContact CD1-CD2 4.09Å; L340-L765 HydrophobicContact CD2-CD2 3.64Å; L340-L765 HydrophobicContact CG-CD2 3.66Å | ||
| 341 | A | 32.7 | Very low | 43.8 | Very low | 60 Ų | 60 | 89.1 Ų | 89.1 | 50% | 0.496 | 52% | 0.52 | S | S | . | . | trans | -93.2 | 74.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S339 | S339-A341 PolarHBondContact O-N 3.13Å; S339-A341 VanDerWaalsContact O-N 3.1Å; S339-A341 WeakPolarHBondContact OG-CB 3.35Å | ||
| 342 | V | 38.3 | Very low | 46.8 | Very low | 61 Ų | 61 | 80.3 Ų | 80.3 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | trans | -90.4 | 126.8 | 158.6 | -177 | 0 | 0 | 0 | 0 | 108.9 | L340 P344 T579 R736 | L340-V342 PolarHBondContact O-N 3.25Å; V342-P344 WeakPolarHBondContact O-CD 3.38Å; V342-T579 HydrophobicContact CB-CG2 3.73Å; V342-T579 HydrophobicContact CG1-CG2 3.96Å; V342-T579 HydrophobicContact CG2-CG2 3.87Å; V342-R736 PolarHBondContact O-NH1 3.03Å | ||
| 343 | V | 42.3 | Very low | 49.8 | Very low | 130 Ų | 130 | 76.3 Ų | 76.3 | 79% | 0.788 | 46% | 0.461 | S | S | * | . | trans | -86.8 | 113.9 | -180 | 179.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 344 | P | 41.5 | Very low | 52.7 | Low | 33 Ų | 33 | 73.9 Ų | 73.9 | 21% | 0.214 | 44% | 0.443 | C | S | . | . | trans | -140.2 | 172.5 | 144.4 | 39.7 | -28.7 | 0 | 0 | 0 | 114.1 | V342 V583 | V342-P344 WeakPolarHBondContact O-CD 3.38Å; P344-V583 HydrophobicContact CB-CG1 3.78Å; P344-V583 HydrophobicContact CG-CB 4.43Å; P344-V583 HydrophobicContact CG-CG1 3.73Å; P344-V583 HydrophobicContact CG-CG2 3.74Å | ||
| 345 | F | 45.5 | Very low | 55.5 | Low | 77 Ų | 77 | 70.9 Ų | 70.9 | 34% | 0.338 | 43% | 0.428 | S | S | . | . | trans | 67.8 | 80.5 | 176 | -57.2 | -74 | 0 | 0 | 0 | 116.9 | A347 W360 L587 | F345-A347 PolarHBondContact O-N 2.99Å; F345-W360 HydrophobicContact CD1-CH2 4.44Å; F345-L587 HydrophobicContact CE2-CD1 3.49Å; F345-L587 VanDerWaalsContact CE2-CD1 3.49Å; F345-L587 HydrophobicContact CZ-CB 3.91Å; F345-L587 HydrophobicContact CZ-CD1 3.66Å; F345-L587 HydrophobicContact CZ-CG 4.39Å | ||
| 346 | S | 40.9 | Very low | 58 | Low | 138 Ų | 138 | 66.7 Ų | 66.7 | 97% | 0.965 | 41% | 0.414 | S | S | * | . | trans | -75.1 | 6.8 | 158.7 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 347 | A | 46.1 | Very low | 60.8 | Low | 37 Ų | 37 | 62.6 Ų | 62.6 | 31% | 0.306 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -93.5 | 134.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F345 G349 R362 | F345-A347 PolarHBondContact O-N 2.99Å; A347-G349 PolarHBondContact O-N 3.08Å; A347-R362 VanDerWaalsContact CB-NH1 3.34Å |
| 348 | V | 60.7 | Low | 63.3 | Low | 146 Ų | 146 | 59.3 Ų | 59.3 | 89% | 0.885 | 36% | 0.364 | S | S | * | . | trans | -59.2 | 132 | 173 | -176.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 349 | G | 73 | Confident | 65.7 | Low | 27 Ų | 27 | 59 Ų | 59 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | trans | -161.1 | 161.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A347 S361 | A347-G349 PolarHBondContact O-N 3.08Å; G349-S361 CarbonylContact C-O 3.22Å | ||
| 350 | I | 84.3 | Confident | 68.3 | Low | 75 Ų | 75 | 55.8 Ų | 55.8 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.4 | -172.7 | -53 | 171.5 | 0 | 0 | 0 | 109.8 | Y352 W360 S361 A364 | I350-Y352 HydrophobicContact CB-CE2 4.13Å; I350-Y352 HydrophobicContact CG2-CE1 3.89Å; I350-Y352 HydrophobicContact CG2-CE2 3.95Å; I350-Y352 VanDerWaalsContact CG2-CZ 3.49Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.33Å; I350-W360 WeakPolarHBondContact O-CA 3.4Å; I350-S361 PolarHBondContact N-O 3.48Å; I350-S361 PolarHBondContact O-N 3.17Å; I350-S361 VanDerWaalsContact O-N 3.11Å; I350-A364 HydrophobicContact CD1-CB 4.3Å |
| 351 | T | 85.7 | Confident | 70.4 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 117.7 | 178.5 | -52.4 | 0 | 0 | 0 | 0 | 112.6 | L358 G359 L730 K731 | T351-L358 HydrophobicContact CG2-CD1 3.69Å; T351-L358 HydrophobicContact CG2-CG 4.43Å; T351-G359 CarbonylContact C-O 3.52Å; T351-G359 VanDerWaalsContact CA-O 3.31Å; T351-G359 WeakPolarHBondContact CA-O 3.23Å; T351-L730 PolarHBondContact OG1-O 2.86Å; T351-K731 HydrophobicContact CG2-CG 3.95Å; T351-K731 WeakPolarHBondContact O-CE 3.34Å; T351-K731 PolarHBondContact O-NZ 3.13Å |
| 352 | Y | 86.9 | Confident | 72.9 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 12% | 0.118 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 147.4 | 176.4 | -52.4 | -81.9 | 0 | 0 | 0 | 110.5 | I350 L358 G359 H363 A364 V365 F401 | I350-Y352 HydrophobicContact CB-CE2 4.13Å; I350-Y352 HydrophobicContact CG2-CE1 3.89Å; I350-Y352 HydrophobicContact CG2-CE2 3.95Å; I350-Y352 VanDerWaalsContact CG2-CZ 3.49Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.33Å; Y352-L358 WeakPolarHBondContact O-CA 3.42Å; Y352-G359 PolarHBondContact N-O 3.24Å; Y352-G359 PolarHBondContact O-N 2.89Å; Y352-H363 PolarHBondContact OH-O 2.87Å; Y352-A364 WeakPolarHBondContact OH-CA 3.26Å; Y352-V365 HydrophobicContact CE2-CB 4.35Å; Y352-V365 PolarHBondContact OH-N 2.77Å; Y352-F401 HydrophobicContact CD1-CE1 4.31Å; Y352-F401 HydrophobicContact CG-CE1 4.1Å |
| 353 | N | 84.3 | Confident | 75.1 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | trans | -146.1 | 41.2 | 176.1 | 69.8 | -29 | 0 | 0 | 0 | 112.5 | V357 L358 Y727 K731 | N353-V357 CarbonylContact C-O 3.59Å; N353-V357 VanDerWaalsContact CA-O 3.3Å; N353-V357 WeakPolarHBondContact CA-O 3.2Å; N353-L358 HydrophobicContact CB-CD1 4.41Å; N353-Y727 HydrophobicContact CB-CD2 4.02Å; N353-Y727 HydrophobicContact CB-CG 4.32Å; N353-K731 WeakPolarHBondContact OD1-CE 3.27Å; N353-K731 PolarHBondContact OD1-NZ 2.85Å | ||
| 354 | N | 85.2 | Confident | 77.2 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | trans | -105.1 | 152.6 | -172.4 | -55 | 52.8 | 0 | 0 | 0 | 110.4 | G356 V357 F401 | N354-G356 PolarHBondContact O-N 3.27Å; N354-G356 VanDerWaalsContact O-N 3.16Å; N354-V357 PolarHBondContact N-O 2.79Å; N354-V357 PolarHBondContact O-N 3.31Å; N354-F401 HydrophobicContact CB-CZ 4.13Å | ||
| 355 | Y | 86.4 | Confident | 79.5 | Confident | 118 Ų | 118 | 53.4 Ų | 53.4 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 20.5 | 179.2 | -43.6 | -68.2 | 0 | 0 | 0 | 115.7 | P367 A397 R400 F401 | Y355-P367 HydrophobicContact CE2-CB 4.07Å; Y355-P367 HydrophobicContact CE2-CG 3.98Å; Y355-A397 WeakPolarHBondContact O-CB 3.45Å; Y355-R400 VanDerWaalsContact CE1-NH1 3.29Å; Y355-F401 HydrophobicContact CD2-CE2 4.15Å; Y355-F401 HydrophobicContact CD2-CZ 4.15Å |
| 356 | G | 86.1 | Confident | 81.7 | Confident | 39 Ų | 39 | 55.4 Ų | 55.4 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -7.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N354 Y727 | N354-G356 PolarHBondContact O-N 3.27Å; N354-G356 VanDerWaalsContact O-N 3.16Å; G356-Y727 VanDerWaalsContact O-CE2 3.3Å; G356-Y727 WeakPolarHBondContact O-CE2 3.22Å; G356-Y727 PolarHBondContact O-OH 2.88Å |
| 357 | V | 91 | Very high | 84.1 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -99.3 | 133.9 | -179.6 | 164.4 | 0 | 0 | 0 | 0 | 110.7 | N353 N354 A397 V398 F401 L596 F597 D598 | N353-V357 CarbonylContact C-O 3.59Å; N353-V357 VanDerWaalsContact CA-O 3.3Å; N353-V357 WeakPolarHBondContact CA-O 3.2Å; N354-V357 PolarHBondContact N-O 2.79Å; N354-V357 PolarHBondContact O-N 3.31Å; V357-A397 HydrophobicContact CG2-CB 3.52Å; V357-V398 HydrophobicContact CG1-CG1 4.26Å; V357-V398 HydrophobicContact CG2-CG1 3.62Å; V357-F401 HydrophobicContact CB-CE2 4.16Å; V357-F401 HydrophobicContact CG1-CD2 4.2Å; V357-F401 HydrophobicContact CG1-CE2 4.13Å; V357-L596 HydrophobicContact CG1-CB 4.34Å; V357-L596 HydrophobicContact CG1-CD2 3.97Å; V357-F597 WeakPolarHBondContact CA-O 3.43Å; V357-D598 HydrophobicContact CG2-CB 4.41Å | ||
| 358 | L | 93.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 127.4 | 161.2 | -175.1 | 82.1 | 0 | 0 | 0 | 108.5 | T351 Y352 N353 F597 A603 Y606 Y727 L730 | T351-L358 HydrophobicContact CG2-CD1 3.69Å; T351-L358 HydrophobicContact CG2-CG 4.43Å; Y352-L358 WeakPolarHBondContact O-CA 3.42Å; N353-L358 HydrophobicContact CB-CD1 4.41Å; L358-F597 HydrophobicContact CB-CB 4.33Å; L358-F597 HydrophobicContact CD2-CD2 4.12Å; L358-F597 PolarHBondContact N-O 2.82Å; L358-F597 PolarHBondContact O-N 2.91Å; L358-A603 HydrophobicContact CB-CB 4.46Å; L358-A603 HydrophobicContact CD2-CB 3.94Å; L358-Y606 HydrophobicContact CD2-CD1 4.44Å; L358-Y727 HydrophobicContact CB-CD1 3.97Å; L358-Y727 HydrophobicContact CB-CD2 4.49Å; L358-Y727 HydrophobicContact CB-CE1 3.74Å; L358-Y727 HydrophobicContact CB-CE2 4.29Å; L358-Y727 HydrophobicContact CB-CG 4.33Å; L358-Y727 HydrophobicContact CD1-CD1 4.04Å; L358-Y727 HydrophobicContact CD1-CG 4.05Å; L358-Y727 HydrophobicContact CG-CD1 4.43Å; L358-L730 HydrophobicContact CD1-CB 4.21Å; L358-L730 HydrophobicContact CD1-CD1 4.29Å; L358-L730 HydrophobicContact CD2-CB 4.34Å; L358-L730 HydrophobicContact CD2-CD1 3.56Å |
| 359 | G | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | T351 Y352 V595 | T351-G359 CarbonylContact C-O 3.52Å; T351-G359 VanDerWaalsContact CA-O 3.31Å; T351-G359 WeakPolarHBondContact CA-O 3.23Å; Y352-G359 PolarHBondContact N-O 3.24Å; Y352-G359 PolarHBondContact O-N 2.89Å; G359-V595 CarbonylContact C-O 3.6Å; G359-V595 VanDerWaalsContact CA-O 3.29Å; G359-V595 WeakPolarHBondContact CA-O 3.1Å |
| 360 | W | 91.8 | Very high | 88.2 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 9% | 0.087 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132.6 | 169.9 | -179.7 | 89.4 | 0 | 0 | 0 | 110.1 | F345 I350 R362 V593 L594 V595 | F345-W360 HydrophobicContact CD1-CH2 4.44Å; I350-W360 WeakPolarHBondContact O-CA 3.4Å; W360-R362 HydrophobicContact CH2-CG 4.05Å; W360-V593 HydrophobicContact CZ3-CG1 3.94Å; W360-L594 WeakPolarHBondContact O-CA 3.45Å; W360-V595 HydrophobicContact CE3-CG2 4.21Å; W360-V595 PolarHBondContact N-O 3.37Å; W360-V595 PolarHBondContact O-N 3Å |
| 361 | S | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 151.7 | 176.4 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | G349 I350 H363 | G349-S361 CarbonylContact C-O 3.22Å; I350-S361 PolarHBondContact N-O 3.48Å; I350-S361 PolarHBondContact O-N 3.17Å; I350-S361 VanDerWaalsContact O-N 3.11Å; S361-H363 WeakPolarHBondContact CB-O 3.25Å; S361-H363 PolarHBondContact O-N 2.82Å; S361-H363 PolarHBondContact OG-N 2.83Å; S361-H363 PolarHBondContact OG-O 2.83Å |
| 362 | R | 83.6 | Confident | 88.1 | Confident | 103 Ų | 103 | 47.7 Ų | 47.7 | 39% | 0.389 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -68.4 | -20.1 | 166.6 | -59.3 | -174.7 | -168 | -90.8 | 3.5 | 112.5 | A347 W360 P591 | A347-R362 VanDerWaalsContact CB-NH1 3.34Å; W360-R362 HydrophobicContact CH2-CG 4.05Å; R362-P591 VanDerWaalsContact CD-O 3.27Å; R362-P591 WeakPolarHBondContact CD-O 3.47Å; R362-P591 PolarHBondContact NE-O 3.4Å |
| 363 | H | 84.6 | Confident | 88 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 27% | 0.269 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -110.9 | 151.9 | -172.7 | -70.6 | 106.8 | 0 | 0 | 0 | 112.2 | Y352 S361 V365 K410 D592 | Y352-H363 PolarHBondContact OH-O 2.87Å; S361-H363 WeakPolarHBondContact CB-O 3.25Å; S361-H363 PolarHBondContact O-N 2.82Å; S361-H363 PolarHBondContact OG-N 2.83Å; S361-H363 PolarHBondContact OG-O 2.83Å; H363-V365 PolarHBondContact O-N 2.86Å; H363-K410 PolarHBondContact CD2-NZ 3.01Å; H363-K410 PolarHBondContact CE1-NZ 2.96Å; H363-K410 VanDerWaalsContact CE1-NZ 3.3Å; H363-K410 VanDerWaalsContact CG-NZ 3.26Å; H363-K410 PolarHBondContact ND1-NZ 2.93Å; H363-K410 PolarHBondContact NE2-NZ 2.83Å; H363-D592 IonicContact CE1-OD1 2.74Å; H363-D592 PolarHBondContact CE1-OD1 2.77Å |
| 364 | A | 87.9 | Confident | 88 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 69% | 0.694 | 26% | 0.263 | S | S | * | . | trans | -64.6 | 119.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I350 Y352 | I350-A364 HydrophobicContact CD1-CB 4.3Å; Y352-A364 WeakPolarHBondContact OH-CA 3.26Å | ||
| 365 | V | 89.8 | Confident | 87.7 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | trans | -113.6 | 118.7 | 173.2 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | Y352 H363 F401 P404 H405 L594 | Y352-V365 HydrophobicContact CE2-CB 4.35Å; Y352-V365 PolarHBondContact OH-N 2.77Å; H363-V365 PolarHBondContact O-N 2.86Å; V365-F401 HydrophobicContact CG1-CB 4.25Å; V365-F401 HydrophobicContact CG1-CD1 4.33Å; V365-F401 WeakPolarHBondContact CG1-O 3.48Å; V365-P404 HydrophobicContact CG1-CG 4.38Å; V365-H405 HydrophobicContact CG1-CB 4.45Å; V365-H405 HydrophobicContact CG2-CB 4.31Å; V365-L594 HydrophobicContact CG1-CD2 4.42Å; V365-L594 HydrophobicContact CG2-CD1 4.29Å; V365-L594 HydrophobicContact CG2-CD2 4.37Å | ||
| 366 | V | 90.3 | Very high | 87.6 | Confident | 120 Ų | 120 | 46.3 Ų | 46.3 | 73% | 0.727 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -92.1 | 118.3 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | P404 | V366-P404 VanDerWaalsContact O-CG 3.31Å; V366-P404 WeakPolarHBondContact O-CG 3.35Å |
| 367 | P | 92.1 | Very high | 87.7 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 23% | 0.234 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 132.2 | -176.5 | 28.9 | -33.1 | 0 | 0 | 0 | 112.5 | Y355 R400 F401 | Y355-P367 HydrophobicContact CE2-CB 4.07Å; Y355-P367 HydrophobicContact CE2-CG 3.98Å; P367-R400 CarbonylContact C-O 3.58Å; P367-R400 WeakPolarHBondContact CA-O 3.33Å; P367-R400 HydrophobicContact CB-CB 4.13Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.81Å; P367-F401 HydrophobicContact CB-CG 4.31Å; P367-F401 HydrophobicContact CB-CZ 4.27Å; P367-F401 HydrophobicContact CG-CD1 4.4Å; P367-F401 HydrophobicContact CG-CE1 3.99Å |
| 368 | C | 91.6 | Very high | 87.6 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.034 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 142.1 | 172.5 | 63 | 0 | 0 | 0 | 0 | 111.6 | E373 R400 | C368-E373 HydrophobicContact CB-CB 3.69Å; C368-R400 PolarHBondContact N-O 2.76Å; C368-R400 WeakPolarHBondContact O-CA 3.46Å; C368-R400 VanDerWaalsContact O-CB 3.25Å; C368-R400 WeakPolarHBondContact O-CB 3.45Å; C368-R400 VanDerWaalsContact O-CG 3.23Å; C368-R400 WeakPolarHBondContact O-CG 3.36Å; C368-R400 PolarHBondContact SG-O 2.81Å; C368-R400 VanDerWaalsContact SG-O 3.42Å |
| 369 | Y | 88.3 | Confident | 87.5 | Confident | 111 Ų | 111 | 51.1 Ų | 51.1 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -79.9 | -32.9 | 176.4 | -171.8 | -92.4 | 0 | 0 | 0 | 113 | E373 R394 A395 R400 | Y369-E373 VanDerWaalsContact CB-OE2 3.26Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.49Å; Y369-E373 PolarHBondContact N-OE2 2.92Å; Y369-R394 HydrophobicContact CD1-CB 4.44Å; Y369-R394 HydrophobicContact CE1-CB 3.97Å; Y369-A395 WeakPolarHBondContact O-CB 3.27Å; Y369-A395 PolarHBondContact O-N 3.06Å; Y369-R400 PolarHBondContact O-NH2 3.16Å; Y369-R400 VanDerWaalsContact O-NH2 3.17Å |
| 370 | G | 86.1 | Confident | 87.4 | Confident | 7 Ų | 7 | 54 Ų | 54 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -152.8 | 179.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T372 E373 A374 | G370-T372 PolarHBondContact O-N 2.94Å; G370-T372 VanDerWaalsContact O-N 3.17Å; G370-E373 PolarHBondContact O-N 3.25Å; G370-E373 VanDerWaalsContact O-N 3.13Å; G370-A374 PolarHBondContact O-N 3.4Å |
| 371 | L | 84.1 | Confident | 87.4 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.3 | -177.5 | -79.4 | 170.7 | 0 | 0 | 0 | 114.5 | R382 M385 Q386 A391 W403 | L371-R382 HydrophobicContact CB-CG 4.43Å; L371-R382 WeakPolarHBondContact O-CD 3.36Å; L371-R382 VanDerWaalsContact O-CZ 3.24Å; L371-R382 PolarHBondContact O-NE 3.28Å; L371-R382 PolarHBondContact O-NH1 2.87Å; L371-M385 HydrophobicContact CD1-CB 4.04Å; L371-M385 HydrophobicContact CD1-CE 4.43Å; L371-M385 HydrophobicContact CD1-SD 4.5Å; L371-M385 HydrophobicContact CD2-CE 3.65Å; L371-M385 HydrophobicContact CD2-SD 3.68Å; L371-Q386 HydrophobicContact CD1-CG 4.4Å; L371-A391 HydrophobicContact CD1-CB 4.03Å; L371-A391 HydrophobicContact CG-CB 4.1Å; L371-W403 HydrophobicContact CD2-CE3 4.1Å; L371-W403 HydrophobicContact CD2-CH2 3.51Å; L371-W403 HydrophobicContact CD2-CZ2 4.16Å; L371-W403 HydrophobicContact CD2-CZ3 3.47Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.47Å; L371-W403 HydrophobicContact CG-CH2 3.88Å; L371-W403 HydrophobicContact CG-CZ3 3.81Å |
| 372 | T | 83.1 | Confident | 87.4 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 68% | 0.681 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -39.2 | 173.7 | 38.6 | 0 | 0 | 0 | 0 | 112.3 | G370 R382 | G370-T372 PolarHBondContact O-N 2.94Å; G370-T372 VanDerWaalsContact O-N 3.17Å; T372-R382 VanDerWaalsContact C-NH1 3.3Å; T372-R382 PolarHBondContact O-NH1 2.79Å |
| 373 | E | 84.9 | Confident | 87.7 | Confident | 104 Ų | 104 | 57.7 Ų | 57.7 | 49% | 0.486 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6.9 | -174 | -68.2 | 154.1 | -124.4 | 0 | 0 | 113.6 | C368 Y369 G370 P375 | C368-E373 HydrophobicContact CB-CB 3.69Å; Y369-E373 VanDerWaalsContact CB-OE2 3.26Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.49Å; Y369-E373 PolarHBondContact N-OE2 2.92Å; G370-E373 PolarHBondContact O-N 3.25Å; G370-E373 VanDerWaalsContact O-N 3.13Å; E373-P375 WeakPolarHBondContact O-CD 3.4Å |
| 374 | A | 83.9 | Confident | 88 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | trans | -70.9 | 119.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G370 I377 R382 W403 | G370-A374 PolarHBondContact O-N 3.4Å; A374-I377 HydrophobicContact CB-CD1 3.82Å; A374-I377 HydrophobicContact CB-CG1 4.25Å; A374-R382 PolarHBondContact O-NH2 2.75Å; A374-W403 HydrophobicContact CB-CB 4.22Å; A374-W403 HydrophobicContact CB-CE3 4.11Å | ||
| 375 | P | 78.6 | Confident | 88.2 | Confident | 47 Ų | 47 | 51 Ų | 51 | 31% | 0.305 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -70.9 | 149.7 | 177.7 | 29.8 | -33.6 | 0 | 0 | 0 | 111 | E373 I377 P404 S407 | E373-P375 WeakPolarHBondContact O-CD 3.4Å; P375-I377 PolarHBondContact O-N 2.86Å; P375-P404 HydrophobicContact CG-CB 3.8Å; P375-S407 WeakPolarHBondContact O-CB 3.45Å; P375-S407 PolarHBondContact O-OG 3.04Å |
| 376 | D | 84.3 | Confident | 88.1 | Confident | 100 Ų | 100 | 55.4 Ų | 55.4 | 54% | 0.535 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 59 | -0.9 | 172.2 | -43.2 | -35.4 | 0 | 0 | 0 | 117.6 | S378 Q432 | D376-S378 PolarHBondContact O-N 2.92Å; D376-Q432 PolarHBondContact O-NE2 3.12Å |
| 377 | I | 88.4 | Confident | 88 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | trans | -74.8 | 119.8 | 163.5 | -54.3 | -173.7 | 0 | 0 | 0 | 108.6 | A374 P375 I381 R382 W403 | A374-I377 HydrophobicContact CB-CD1 3.82Å; A374-I377 HydrophobicContact CB-CG1 4.25Å; P375-I377 PolarHBondContact O-N 2.86Å; I377-I381 HydrophobicContact CG2-CB 4.09Å; I377-I381 HydrophobicContact CG2-CG2 3.59Å; I377-R382 HydrophobicContact CG2-CG 4.02Å; I377-R382 PolarHBondContact O-NE 2.93Å; I377-R382 PolarHBondContact O-NH2 3.49Å; I377-W403 HydrophobicContact CD1-CB 4.14Å; I377-W403 HydrophobicContact CD1-CD2 4.3Å; I377-W403 HydrophobicContact CD1-CG 4.04Å | ||
| 378 | S | 90.3 | Very high | 87.8 | Confident | 31 Ų | 31 | 56 Ų | 56 | 22% | 0.217 | 28% | 0.28 | C | S | . | . | trans | -64.1 | 155.3 | -179 | 63 | 0 | 0 | 0 | 0 | 113.5 | D376 I380 I381 R382 Q432 | D376-S378 PolarHBondContact O-N 2.92Å; S378-I380 PolarHBondContact O-N 3.12Å; S378-I381 PolarHBondContact O-N 3.01Å; S378-I381 WeakPolarHBondContact OG-CB 3.38Å; S378-I381 VanDerWaalsContact OG-CG1 3.32Å; S378-I381 WeakPolarHBondContact OG-CG1 3.43Å; S378-I381 PolarHBondContact OG-N 3.33Å; S378-R382 VanDerWaalsContact O-CG 3.29Å; S378-R382 WeakPolarHBondContact O-CG 3.48Å; S378-R382 PolarHBondContact O-N 3.04Å; S378-Q432 VanDerWaalsContact CB-OE1 3.25Å; S378-Q432 PolarHBondContact OG-OE1 3.02Å | ||
| 379 | T | 89.9 | Confident | 87.6 | Confident | 107 Ų | 107 | 57.2 Ų | 57.2 | 66% | 0.656 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.5 | -31.6 | 175.8 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | R383 | T379-R383 PolarHBondContact O-N 3.4Å; T379-R383 VanDerWaalsContact O-N 3.07Å |
| 380 | I | 91.3 | Very high | 87.5 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 30% | 0.303 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.2 | -51.4 | 175.6 | -60.2 | 176.1 | 0 | 0 | 0 | 110.4 | S378 R382 R383 A384 L473 L474 | S378-I380 PolarHBondContact O-N 3.12Å; I380-R382 VanDerWaalsContact C-N 3.34Å; I380-R382 PolarHBondContact O-N 3.09Å; I380-R383 WeakPolarHBondContact O-CB 3.4Å; I380-R383 PolarHBondContact O-N 3.34Å; I380-R383 VanDerWaalsContact O-N 3.1Å; I380-A384 PolarHBondContact O-N 3.13Å; I380-L473 VanDerWaalsContact CG2-C 3.49Å; I380-L473 HydrophobicContact CG2-CB 3.61Å; I380-L473 WeakPolarHBondContact CG2-O 3.49Å; I380-L474 HydrophobicContact CB-CD2 4.11Å; I380-L474 HydrophobicContact CD1-CD2 4.28Å; I380-L474 HydrophobicContact CG2-CD2 3.86Å; I380-L474 HydrophobicContact CG2-CG 4.36Å |
| 381 | I | 92.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 177.9 | -71.1 | -75.4 | 0 | 0 | 0 | 111.2 | I377 S378 R383 A384 M385 P428 Q432 L470 L474 | I377-I381 HydrophobicContact CG2-CB 4.09Å; I377-I381 HydrophobicContact CG2-CG2 3.59Å; S378-I381 PolarHBondContact O-N 3.01Å; S378-I381 WeakPolarHBondContact OG-CB 3.38Å; S378-I381 VanDerWaalsContact OG-CG1 3.32Å; S378-I381 WeakPolarHBondContact OG-CG1 3.43Å; S378-I381 PolarHBondContact OG-N 3.33Å; I381-R383 VanDerWaalsContact C-N 3.27Å; I381-R383 PolarHBondContact O-N 3.16Å; I381-A384 PolarHBondContact O-N 3.48Å; I381-M385 HydrophobicContact CG2-CG 4.35Å; I381-M385 HydrophobicContact CG2-SD 3.99Å; I381-M385 WeakPolarHBondContact O-CB 3.32Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.45Å; I381-M385 PolarHBondContact O-N 3.07Å; I381-P428 HydrophobicContact CG2-CB 3.68Å; I381-Q432 HydrophobicContact CD1-CB 4.49Å; I381-Q432 HydrophobicContact CG1-CB 4.09Å; I381-Q432 HydrophobicContact CG1-CG 4.21Å; I381-L470 HydrophobicContact CD1-CB 3.97Å; I381-L470 HydrophobicContact CD1-CD2 4.01Å; I381-L470 WeakPolarHBondContact CD1-O 3.47Å; I381-L470 HydrophobicContact CG2-CD2 4.23Å; I381-L474 HydrophobicContact CD1-CD1 4.17Å; I381-L474 HydrophobicContact CD1-CG 4.44Å; I381-L474 HydrophobicContact CG1-CD2 4.33Å |
| 382 | R | 90.8 | Very high | 86.8 | Confident | 55 Ų | 55 | 62 Ų | 62 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.5 | -40.9 | 172.5 | -67.9 | 171.9 | -154.2 | -142.2 | 3.9 | 111.7 | L371 T372 A374 I377 S378 I380 M385 Q386 | L371-R382 HydrophobicContact CB-CG 4.43Å; L371-R382 WeakPolarHBondContact O-CD 3.36Å; L371-R382 VanDerWaalsContact O-CZ 3.24Å; L371-R382 PolarHBondContact O-NE 3.28Å; L371-R382 PolarHBondContact O-NH1 2.87Å; T372-R382 VanDerWaalsContact C-NH1 3.3Å; T372-R382 PolarHBondContact O-NH1 2.79Å; A374-R382 PolarHBondContact O-NH2 2.75Å; I377-R382 HydrophobicContact CG2-CG 4.02Å; I377-R382 PolarHBondContact O-NE 2.93Å; I377-R382 PolarHBondContact O-NH2 3.49Å; S378-R382 VanDerWaalsContact O-CG 3.29Å; S378-R382 WeakPolarHBondContact O-CG 3.48Å; S378-R382 PolarHBondContact O-N 3.04Å; I380-R382 VanDerWaalsContact C-N 3.34Å; I380-R382 PolarHBondContact O-N 3.09Å; R382-M385 PolarHBondContact O-N 3.39Å; R382-Q386 VanDerWaalsContact O-CG 3.27Å; R382-Q386 WeakPolarHBondContact O-CG 3.41Å; R382-Q386 PolarHBondContact O-N 3.02Å |
| 383 | R | 88.8 | Confident | 86.5 | Confident | 150 Ų | 150 | 61.8 Ų | 61.8 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.8 | -45.8 | 176.9 | -173.5 | -176.4 | -68.1 | 151.3 | -2.8 | 112.2 | T379 I380 I381 M385 Q386 Q387 | T379-R383 PolarHBondContact O-N 3.4Å; T379-R383 VanDerWaalsContact O-N 3.07Å; I380-R383 WeakPolarHBondContact O-CB 3.4Å; I380-R383 PolarHBondContact O-N 3.34Å; I380-R383 VanDerWaalsContact O-N 3.1Å; I381-R383 VanDerWaalsContact C-N 3.27Å; I381-R383 PolarHBondContact O-N 3.16Å; R383-M385 VanDerWaalsContact C-N 3.33Å; R383-M385 PolarHBondContact O-N 3.17Å; R383-Q386 PolarHBondContact O-N 3.32Å; R383-Q387 WeakPolarHBondContact O-CG 3.49Å; R383-Q387 PolarHBondContact O-N 3.18Å |
| 384 | A | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | I380 I381 Q386 Q387 M388 L470 L473 | I380-A384 PolarHBondContact O-N 3.13Å; I381-A384 PolarHBondContact O-N 3.48Å; A384-Q386 PolarHBondContact O-N 2.74Å; A384-Q387 PolarHBondContact O-N 3.29Å; A384-M388 HydrophobicContact CB-CE 4.13Å; A384-M388 WeakPolarHBondContact O-CE 3.3Å; A384-M388 PolarHBondContact O-N 2.74Å; A384-M388 VanDerWaalsContact O-N 3.09Å; A384-L470 HydrophobicContact CB-CD2 4.04Å; A384-L473 HydrophobicContact CB-CD1 3.82Å; A384-L473 HydrophobicContact CB-CG 4.29Å |
| 385 | M | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 176.1 | -71.5 | 179.2 | 78.5 | 0 | 0 | 112.5 | L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470 | L371-M385 HydrophobicContact CD1-CB 4.04Å; L371-M385 HydrophobicContact CD1-CE 4.43Å; L371-M385 HydrophobicContact CD1-SD 4.5Å; L371-M385 HydrophobicContact CD2-CE 3.65Å; L371-M385 HydrophobicContact CD2-SD 3.68Å; I381-M385 HydrophobicContact CG2-CG 4.35Å; I381-M385 HydrophobicContact CG2-SD 3.99Å; I381-M385 WeakPolarHBondContact O-CB 3.32Å; I381-M385 VanDerWaalsContact O-CG 3.25Å; I381-M385 WeakPolarHBondContact O-CG 3.45Å; I381-M385 PolarHBondContact O-N 3.07Å; R382-M385 PolarHBondContact O-N 3.39Å; R383-M385 VanDerWaalsContact C-N 3.33Å; R383-M385 PolarHBondContact O-N 3.17Å; M385-M388 CarbonylContact O-C 3.58Å; M385-M388 PolarHBondContact O-N 2.99Å; M385-G389 PolarHBondContact O-N 3.42Å; M385-V390 HydrophobicContact CB-CB 4.12Å; M385-V390 HydrophobicContact CE-CB 4.3Å; M385-V390 HydrophobicContact CE-CG1 3.59Å; M385-V390 WeakPolarHBondContact O-CB 3.34Å; M385-V390 PolarHBondContact O-N 2.84Å; M385-W403 HydrophobicContact CE-CH2 4.04Å; M385-W403 HydrophobicContact CE-CZ2 3.56Å; M385-W424 HydrophobicContact CE-CE3 4.16Å; M385-W424 HydrophobicContact CE-CZ3 4.42Å; M385-W424 HydrophobicContact CG-CZ3 4.11Å; M385-P428 HydrophobicContact CE-CB 4.19Å; M385-P428 HydrophobicContact CE-CG 3.42Å; M385-P428 VanDerWaalsContact CE-CG 3.42Å; M385-P428 HydrophobicContact CG-CG 4.37Å; M385-P428 HydrophobicContact SD-CB 3.56Å; M385-P428 VanDerWaalsContact SD-CB 3.56Å; M385-P428 HydrophobicContact SD-CG 3.46Å; M385-P428 WeakPolarHBondContact SD-CG 3.48Å; M385-L470 HydrophobicContact CG-CD2 3.96Å |
| 386 | Q | 88.7 | Confident | 87.5 | Confident | 104 Ų | 104 | 68 Ų | 68 | 49% | 0.486 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.5 | -75.5 | 168.9 | -23.4 | 0 | 0 | 112.7 | L371 R382 R383 A384 G389 | L371-Q386 HydrophobicContact CD1-CG 4.4Å; R382-Q386 VanDerWaalsContact O-CG 3.27Å; R382-Q386 WeakPolarHBondContact O-CG 3.41Å; R382-Q386 PolarHBondContact O-N 3.02Å; R383-Q386 PolarHBondContact O-N 3.32Å; A384-Q386 PolarHBondContact O-N 2.74Å; Q386-G389 WeakPolarHBondContact O-CA 3.45Å; Q386-G389 PolarHBondContact O-N 3.33Å |
| 387 | Q | 87.6 | Confident | 87.8 | Confident | 117 Ų | 117 | 64.3 Ų | 64.3 | 55% | 0.547 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 174.8 | -73 | 172.6 | -22.4 | 0 | 0 | 111.1 | R383 A384 G389 | R383-Q387 WeakPolarHBondContact O-CG 3.49Å; R383-Q387 PolarHBondContact O-N 3.18Å; A384-Q387 PolarHBondContact O-N 3.29Å; Q387-G389 PolarHBondContact O-N 2.87Å |
| 388 | M | 88.3 | Confident | 88 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 26% | 0.261 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 6.5 | 172.7 | -70.5 | 178.8 | -79.3 | 0 | 0 | 114.6 | A384 M385 V390 W424 T469 L470 | A384-M388 HydrophobicContact CB-CE 4.13Å; A384-M388 WeakPolarHBondContact O-CE 3.3Å; A384-M388 PolarHBondContact O-N 2.74Å; A384-M388 VanDerWaalsContact O-N 3.09Å; M385-M388 CarbonylContact O-C 3.58Å; M385-M388 PolarHBondContact O-N 2.99Å; M388-V390 HydrophobicContact CB-CG2 4.18Å; M388-V390 PolarHBondContact O-N 3.41Å; M388-W424 HydrophobicContact CE-CH2 3.71Å; M388-W424 HydrophobicContact CE-CZ3 4.45Å; M388-W424 HydrophobicContact SD-CH2 3.76Å; M388-W424 HydrophobicContact SD-CZ2 4.13Å; M388-T469 HydrophobicContact CE-CG2 3.75Å; M388-T469 HydrophobicContact CG-CG2 3.83Å; M388-T469 HydrophobicContact SD-CG2 3.63Å; M388-L470 HydrophobicContact CE-CD2 3.73Å; M388-L470 HydrophobicContact CE-CG 3.92Å |
| 389 | G | 86 | Confident | 88.2 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 6.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | M385 Q386 Q387 A391 | M385-G389 PolarHBondContact O-N 3.42Å; Q386-G389 WeakPolarHBondContact O-CA 3.45Å; Q386-G389 PolarHBondContact O-N 3.33Å; Q387-G389 PolarHBondContact O-N 2.87Å; G389-A391 PolarHBondContact O-N 2.85Å |
| 390 | V | 86.3 | Confident | 88.4 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 121.6 | -179.9 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | M385 M388 R392 W424 | M385-V390 HydrophobicContact CB-CB 4.12Å; M385-V390 HydrophobicContact CE-CB 4.3Å; M385-V390 HydrophobicContact CE-CG1 3.59Å; M385-V390 WeakPolarHBondContact O-CB 3.34Å; M385-V390 PolarHBondContact O-N 2.84Å; M388-V390 HydrophobicContact CB-CG2 4.18Å; M388-V390 PolarHBondContact O-N 3.41Å; V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 2.87Å; V390-W424 HydrophobicContact CG1-CD2 4.23Å; V390-W424 HydrophobicContact CG1-CE3 4.08Å; V390-W424 HydrophobicContact CG2-CD2 3.89Å; V390-W424 HydrophobicContact CG2-CE3 3.97Å; V390-W424 HydrophobicContact CG2-CH2 3.95Å; V390-W424 HydrophobicContact CG2-CZ2 3.85Å; V390-W424 HydrophobicContact CG2-CZ3 4.01Å |
| 391 | A | 81 | Confident | 88.6 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 34.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L371 G389 S393 R394 W403 | L371-A391 HydrophobicContact CD1-CB 4.03Å; L371-A391 HydrophobicContact CG-CB 4.1Å; G389-A391 PolarHBondContact O-N 2.85Å; A391-S393 PolarHBondContact O-N 3.38Å; A391-R394 WeakPolarHBondContact CA-O 3.49Å; A391-R394 WeakPolarHBondContact CB-O 3.41Å; A391-R394 PolarHBondContact O-N 2.81Å; A391-W403 HydrophobicContact CB-CH2 3.76Å; A391-W403 HydrophobicContact CB-CZ3 4.47Å |
| 392 | R | 75.6 | Confident | 88.7 | Confident | 195 Ų | 195 | 55.5 Ų | 55.5 | 74% | 0.736 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -44.7 | -33.9 | 177 | -77.2 | -177 | 176.8 | 162.8 | 7.2 | 115 | V390 | V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 2.87Å |
| 393 | S | 76.3 | Confident | 88.9 | Confident | 106 Ų | 106 | 52.9 Ų | 52.9 | 74% | 0.741 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -123.1 | -25.9 | 179 | 58.9 | 0 | 0 | 0 | 0 | 115.2 | A391 | A391-S393 PolarHBondContact O-N 3.38Š|
| 394 | R | 85.9 | Confident | 89.1 | Confident | 151 Ų | 151 | 46.3 Ų | 46.3 | 57% | 0.57 | 23% | 0.225 | S | C | * | . | trans | -165.9 | 154.2 | 178.3 | 63.3 | -174.5 | -178.6 | -173 | -0.1 | 112 | Y369 A391 | Y369-R394 HydrophobicContact CD1-CB 4.44Å; Y369-R394 HydrophobicContact CE1-CB 3.97Å; A391-R394 WeakPolarHBondContact CA-O 3.49Å; A391-R394 WeakPolarHBondContact CB-O 3.41Å; A391-R394 PolarHBondContact O-N 2.81Å | ||
| 395 | A | 90.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | trans | -69.7 | 142.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y369 Q399 R400 W403 | Y369-A395 WeakPolarHBondContact O-CB 3.27Å; Y369-A395 PolarHBondContact O-N 3.06Å; A395-Q399 HydrophobicContact CB-CB 4.4Å; A395-R400 HydrophobicContact CB-CG 3.94Å; A395-R400 PolarHBondContact O-NE 2.77Å; A395-R400 PolarHBondContact O-NH2 3.43Å; A395-R400 VanDerWaalsContact O-NH2 3.11Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 3.99Å; A395-W403 HydrophobicContact CB-CZ3 3.49Å; A395-W403 VanDerWaalsContact CB-CZ3 3.49Å | ||
| 396 | R | 91.6 | Very high | 89.3 | Confident | 131 Ų | 131 | 46.6 Ų | 46.6 | 49% | 0.494 | 23% | 0.226 | S | C | . | . | trans | -73.7 | 156.5 | 175.4 | -57.9 | -179.8 | 173.2 | -167.2 | -6.1 | 110.9 | V398 Q399 R400 Q419 I420 | R396-V398 PolarHBondContact O-N 2.98Å; R396-Q399 HydrophobicContact CB-CG 4.26Å; R396-Q399 VanDerWaalsContact CB-OE1 3.3Å; R396-Q399 VanDerWaalsContact N-OE1 3.09Å; R396-Q399 WeakPolarHBondContact O-CA 2.96Å; R396-Q399 VanDerWaalsContact O-CB 3.32Å; R396-Q399 WeakPolarHBondContact O-CB 3.37Å; R396-Q399 PolarHBondContact O-N 3Å; R396-R400 WeakPolarHBondContact O-CG 3.43Å; R396-R400 PolarHBondContact O-N 3.45Å; R396-Q419 PolarHBondContact NH1-O 2.9Å; R396-I420 WeakPolarHBondContact CD-O 3.29Å; R396-I420 VanDerWaalsContact NH1-C 3.33Å; R396-I420 PolarHBondContact NH1-O 2.96Å | ||
| 397 | A | 90.9 | Very high | 89.3 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 19% | 0.19 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -50.1 | -51.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y355 V357 R400 F401 | Y355-A397 WeakPolarHBondContact O-CB 3.45Å; V357-A397 HydrophobicContact CG2-CB 3.52Å; A397-R400 WeakPolarHBondContact O-CB 3.5Å; A397-R400 PolarHBondContact O-N 2.75Å; A397-F401 WeakPolarHBondContact O-CD2 3.35Å |
| 398 | V | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.9 | -35.4 | 176.7 | -67.8 | 0 | 0 | 0 | 0 | 113.7 | V357 R396 R400 F401 A402 V414 I420 L596 D598 | V357-V398 HydrophobicContact CG1-CG1 4.26Å; V357-V398 HydrophobicContact CG2-CG1 3.62Å; R396-V398 PolarHBondContact O-N 2.98Å; V398-R400 PolarHBondContact O-N 2.88Å; V398-F401 PolarHBondContact O-N 3.34Å; V398-A402 WeakPolarHBondContact O-CB 3.44Å; V398-A402 PolarHBondContact O-N 2.94Å; V398-V414 HydrophobicContact CB-CG1 4.03Å; V398-V414 HydrophobicContact CG1-CG1 4.03Å; V398-V414 HydrophobicContact CG2-CG1 4.15Å; V398-I420 HydrophobicContact CG2-CD1 4.47Å; V398-L596 HydrophobicContact CB-CD1 4.15Å; V398-L596 HydrophobicContact CG1-CB 4.28Å; V398-L596 WeakPolarHBondContact O-CD1 3.39Å; V398-D598 HydrophobicContact CG1-CB 3.8Å |
| 399 | Q | 94.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -32.3 | -179.1 | -63.9 | 171.5 | -21.4 | 0 | 0 | 111.8 | A395 R396 F401 A402 W403 G421 W424 S425 | A395-Q399 HydrophobicContact CB-CB 4.4Å; R396-Q399 HydrophobicContact CB-CG 4.26Å; R396-Q399 VanDerWaalsContact CB-OE1 3.3Å; R396-Q399 VanDerWaalsContact N-OE1 3.09Å; R396-Q399 WeakPolarHBondContact O-CA 2.96Å; R396-Q399 VanDerWaalsContact O-CB 3.32Å; R396-Q399 WeakPolarHBondContact O-CB 3.37Å; R396-Q399 PolarHBondContact O-N 3Å; Q399-F401 PolarHBondContact O-N 3.02Å; Q399-A402 PolarHBondContact O-N 3.47Å; Q399-W403 HydrophobicContact CB-CD2 4.08Å; Q399-W403 HydrophobicContact CB-CE3 4.48Å; Q399-W403 HydrophobicContact CB-CH2 4.31Å; Q399-W403 HydrophobicContact CB-CZ2 3.86Å; Q399-W403 HydrophobicContact CG-CZ2 4.08Å; Q399-W403 WeakPolarHBondContact O-CB 3.43Å; Q399-W403 PolarHBondContact O-N 3.32Å; Q399-G421 PolarHBondContact NE2-O 3.1Å; Q399-W424 VanDerWaalsContact NE2-CB 3.32Å; Q399-S425 WeakPolarHBondContact CG-OG 3.42Å |
| 400 | R | 93.8 | Very high | 89.7 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.7 | -38.6 | 177.3 | -60.9 | 179.7 | 172.8 | -118.4 | -28.2 | 113 | Y355 P367 C368 Y369 A395 R396 A397 V398 P404 | Y355-R400 VanDerWaalsContact CE1-NH1 3.29Å; P367-R400 CarbonylContact C-O 3.58Å; P367-R400 WeakPolarHBondContact CA-O 3.33Å; P367-R400 HydrophobicContact CB-CB 4.13Å; C368-R400 PolarHBondContact N-O 2.76Å; C368-R400 WeakPolarHBondContact O-CA 3.46Å; C368-R400 VanDerWaalsContact O-CB 3.25Å; C368-R400 WeakPolarHBondContact O-CB 3.45Å; C368-R400 VanDerWaalsContact O-CG 3.23Å; C368-R400 WeakPolarHBondContact O-CG 3.36Å; C368-R400 PolarHBondContact SG-O 2.81Å; C368-R400 VanDerWaalsContact SG-O 3.42Å; Y369-R400 PolarHBondContact O-NH2 3.16Å; Y369-R400 VanDerWaalsContact O-NH2 3.17Å; A395-R400 HydrophobicContact CB-CG 3.94Å; A395-R400 PolarHBondContact O-NE 2.77Å; A395-R400 PolarHBondContact O-NH2 3.43Å; A395-R400 VanDerWaalsContact O-NH2 3.11Å; R396-R400 WeakPolarHBondContact O-CG 3.43Å; R396-R400 PolarHBondContact O-N 3.45Å; A397-R400 WeakPolarHBondContact O-CB 3.5Å; A397-R400 PolarHBondContact O-N 2.75Å; V398-R400 PolarHBondContact O-N 2.88Å; R400-P404 WeakPolarHBondContact O-CD 3.35Å; R400-P404 WeakPolarHBondContact O-CG 3.36Å |
| 401 | F | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -94.4 | -36.4 | 179 | -58.3 | -88.3 | 0 | 0 | 0 | 112 | Y352 N354 Y355 V357 V365 P367 A397 V398 Q399 L594 L596 | Y352-F401 HydrophobicContact CD1-CE1 4.31Å; Y352-F401 HydrophobicContact CG-CE1 4.1Å; N354-F401 HydrophobicContact CB-CZ 4.13Å; Y355-F401 HydrophobicContact CD2-CE2 4.15Å; Y355-F401 HydrophobicContact CD2-CZ 4.15Å; V357-F401 HydrophobicContact CB-CE2 4.16Å; V357-F401 HydrophobicContact CG1-CD2 4.2Å; V357-F401 HydrophobicContact CG1-CE2 4.13Å; V365-F401 HydrophobicContact CG1-CB 4.25Å; V365-F401 HydrophobicContact CG1-CD1 4.33Å; V365-F401 WeakPolarHBondContact CG1-O 3.48Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.81Å; P367-F401 HydrophobicContact CB-CG 4.31Å; P367-F401 HydrophobicContact CB-CZ 4.27Å; P367-F401 HydrophobicContact CG-CD1 4.4Å; P367-F401 HydrophobicContact CG-CE1 3.99Å; A397-F401 WeakPolarHBondContact O-CD2 3.35Å; V398-F401 PolarHBondContact O-N 3.34Å; Q399-F401 PolarHBondContact O-N 3.02Å; F401-L594 HydrophobicContact CB-CD2 4.06Å; F401-L594 WeakPolarHBondContact O-CD2 3.36Å; F401-L596 HydrophobicContact CB-CD1 4.06Å; F401-L596 HydrophobicContact CB-CD2 3.77Å; F401-L596 HydrophobicContact CD2-CD2 4.31Å; F401-L596 HydrophobicContact CG-CD2 4.15Å |
| 402 | A | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.2 | -48.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V398 Q399 H405 V406 V412 S425 L596 | V398-A402 WeakPolarHBondContact O-CB 3.44Å; V398-A402 PolarHBondContact O-N 2.94Å; Q399-A402 PolarHBondContact O-N 3.47Å; A402-H405 PolarHBondContact O-N 2.86Å; A402-H405 VanDerWaalsContact O-N 3.14Å; A402-V406 VanDerWaalsContact O-CB 3.26Å; A402-V406 WeakPolarHBondContact O-CB 3.41Å; A402-V406 WeakPolarHBondContact O-CG2 3.29Å; A402-V406 PolarHBondContact O-N 3.12Å; A402-V412 HydrophobicContact CB-CG2 4.43Å; A402-S425 WeakPolarHBondContact CB-O 3.4Å; A402-L596 HydrophobicContact CB-CD1 3.91Å |
| 403 | W | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.1 | -53.6 | -178.5 | -67.3 | -19.5 | 0 | 0 | 0 | 113.6 | L371 A374 I377 M385 A391 A395 Q399 H405 V406 S407 W424 | L371-W403 HydrophobicContact CD2-CE3 4.1Å; L371-W403 HydrophobicContact CD2-CH2 3.51Å; L371-W403 HydrophobicContact CD2-CZ2 4.16Å; L371-W403 HydrophobicContact CD2-CZ3 3.47Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.47Å; L371-W403 HydrophobicContact CG-CH2 3.88Å; L371-W403 HydrophobicContact CG-CZ3 3.81Å; A374-W403 HydrophobicContact CB-CB 4.22Å; A374-W403 HydrophobicContact CB-CE3 4.11Å; I377-W403 HydrophobicContact CD1-CB 4.14Å; I377-W403 HydrophobicContact CD1-CD2 4.3Å; I377-W403 HydrophobicContact CD1-CG 4.04Å; M385-W403 HydrophobicContact CE-CH2 4.04Å; M385-W403 HydrophobicContact CE-CZ2 3.56Å; A391-W403 HydrophobicContact CB-CH2 3.76Å; A391-W403 HydrophobicContact CB-CZ3 4.47Å; A395-W403 HydrophobicContact CB-CE3 4.1Å; A395-W403 HydrophobicContact CB-CH2 3.99Å; A395-W403 HydrophobicContact CB-CZ3 3.49Å; A395-W403 VanDerWaalsContact CB-CZ3 3.49Å; Q399-W403 HydrophobicContact CB-CD2 4.08Å; Q399-W403 HydrophobicContact CB-CE3 4.48Å; Q399-W403 HydrophobicContact CB-CH2 4.31Å; Q399-W403 HydrophobicContact CB-CZ2 3.86Å; Q399-W403 HydrophobicContact CG-CZ2 4.08Å; Q399-W403 WeakPolarHBondContact O-CB 3.43Å; Q399-W403 PolarHBondContact O-N 3.32Å; W403-H405 PolarHBondContact O-N 3.15Å; W403-V406 PolarHBondContact O-N 3.43Å; W403-S407 WeakPolarHBondContact O-CB 3.36Å; W403-S407 PolarHBondContact O-N 3.4Å; W403-S407 PolarHBondContact O-OG 3.02Å; W403-S407 VanDerWaalsContact O-OG 3.1Å; W403-W424 PolarHBondContact NE1-O 2.8Å |
| 404 | P | 93.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 22 Ų | 22 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.4 | -14.9 | 179.7 | 25.9 | -34.9 | 0 | 0 | 0 | 115.2 | V365 V366 P375 R400 L408 | V365-P404 HydrophobicContact CG1-CG 4.38Å; V366-P404 VanDerWaalsContact O-CG 3.31Å; V366-P404 WeakPolarHBondContact O-CG 3.35Å; P375-P404 HydrophobicContact CG-CB 3.8Å; R400-P404 WeakPolarHBondContact O-CD 3.35Å; R400-P404 WeakPolarHBondContact O-CG 3.36Å; P404-L408 WeakPolarHBondContact O-CD1 3.12Å; P404-L408 WeakPolarHBondContact O-CG 3.32Å |
| 405 | H | 93.1 | Very high | 93.3 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 2% | 0.023 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -94 | -40.2 | 175.8 | -177.7 | 93.9 | 0 | 0 | 0 | 111.9 | V365 A402 W403 K410 S411 D592 L594 | V365-H405 HydrophobicContact CG1-CB 4.45Å; V365-H405 HydrophobicContact CG2-CB 4.31Å; A402-H405 PolarHBondContact O-N 2.86Å; A402-H405 VanDerWaalsContact O-N 3.14Å; W403-H405 PolarHBondContact O-N 3.15Å; H405-K410 WeakPolarHBondContact NE2-CB 3.41Å; H405-K410 WeakPolarHBondContact O-CB 3.39Å; H405-K410 PolarHBondContact O-N 2.83Å; H405-S411 PolarHBondContact CD2-O 3.48Å; H405-S411 PolarHBondContact NE2-O 3.13Å; H405-D592 PolarHBondContact CE1-O 3.41Å; H405-D592 VanDerWaalsContact CE1-O 3.26Å; H405-D592 PolarHBondContact NE2-O 2.66Å; H405-L594 HydrophobicContact CB-CB 4.49Å; H405-L594 HydrophobicContact CB-CD2 3.66Å; H405-L594 VanDerWaalsContact CD2-CB 3.46Å; H405-L594 WeakPolarHBondContact CD2-CB 3.23Å; H405-L594 WeakPolarHBondContact NE2-CB 3.37Å; H405-L594 PolarHBondContact NE2-N 3.17Å |
| 406 | V | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -73 | -36.9 | -179 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | A402 W403 L408 G409 V412 T429 Q569 L571 | A402-V406 VanDerWaalsContact O-CB 3.26Å; A402-V406 WeakPolarHBondContact O-CB 3.41Å; A402-V406 WeakPolarHBondContact O-CG2 3.29Å; A402-V406 PolarHBondContact O-N 3.12Å; W403-V406 PolarHBondContact O-N 3.43Å; V406-L408 VanDerWaalsContact C-N 3.27Å; V406-L408 PolarHBondContact O-N 2.91Å; V406-G409 WeakPolarHBondContact O-CA 3.41Å; V406-G409 PolarHBondContact O-N 2.85Å; V406-V412 HydrophobicContact CG2-CB 3.76Å; V406-V412 HydrophobicContact CG2-CG1 3.59Å; V406-V412 HydrophobicContact CG2-CG2 4.31Å; V406-T429 HydrophobicContact CG1-CG2 4.03Å; V406-Q569 PolarHBondContact O-NE2 2.92Å; V406-L571 HydrophobicContact CG1-CD2 4.05Å; V406-L571 HydrophobicContact CG2-CD2 4.18Å |
| 407 | S | 90.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 11.5 Ų | 11.5 | 3% | 0.028 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30.9 | 179 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | P375 W403 G409 R433 | P375-S407 WeakPolarHBondContact O-CB 3.45Å; P375-S407 PolarHBondContact O-OG 3.04Å; W403-S407 WeakPolarHBondContact O-CB 3.36Å; W403-S407 PolarHBondContact O-N 3.4Å; W403-S407 PolarHBondContact O-OG 3.02Å; W403-S407 VanDerWaalsContact O-OG 3.1Å; S407-G409 PolarHBondContact O-N 3.2Å; S407-R433 PolarHBondContact O-NE 3.13Å; S407-R433 PolarHBondContact O-NH2 2.75Å |
| 408 | L | 89.1 | Confident | 92.7 | Very high | 85 Ų | 85 | 15 Ų | 15 | 45% | 0.445 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 0.1 | 168.8 | -61 | 177.3 | 0 | 0 | 0 | 114.1 | P404 V406 | P404-L408 WeakPolarHBondContact O-CD1 3.12Å; P404-L408 WeakPolarHBondContact O-CG 3.32Å; V406-L408 VanDerWaalsContact C-N 3.27Å; V406-L408 PolarHBondContact O-N 2.91Å |
| 409 | G | 89.3 | Confident | 92.1 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 17 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V406 S407 Q569 | V406-G409 WeakPolarHBondContact O-CA 3.41Å; V406-G409 PolarHBondContact O-N 2.85Å; S407-G409 PolarHBondContact O-N 3.2Å; G409-Q569 VanDerWaalsContact C-CD 3.41Å |
| 410 | K | 92 | Very high | 91.6 | Very high | 27 Ų | 27 | 24.6 Ų | 24.6 | 12% | 0.117 | 12% | 0.124 | C | C | . | . | trans | -94.5 | 144.3 | -179.6 | -57.9 | -171.7 | 179.4 | -168.8 | 0 | 112.1 | H363 H405 Q569 | H363-K410 PolarHBondContact CD2-NZ 3.01Å; H363-K410 PolarHBondContact CE1-NZ 2.96Å; H363-K410 VanDerWaalsContact CE1-NZ 3.3Å; H363-K410 VanDerWaalsContact CG-NZ 3.26Å; H363-K410 PolarHBondContact ND1-NZ 2.93Å; H363-K410 PolarHBondContact NE2-NZ 2.83Å; H405-K410 WeakPolarHBondContact NE2-CB 3.41Å; H405-K410 WeakPolarHBondContact O-CB 3.39Å; H405-K410 PolarHBondContact O-N 2.83Å; K410-Q569 PolarHBondContact O-NE2 2.77Å | ||
| 411 | S | 94.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | trans | -65.2 | 147.4 | -176 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | H405 L570 V593 L594 | H405-S411 PolarHBondContact CD2-O 3.48Å; H405-S411 PolarHBondContact NE2-O 3.13Å; S411-L570 WeakPolarHBondContact CA-O 3.42Å; S411-L570 WeakPolarHBondContact CB-O 3.3Å; S411-L570 PolarHBondContact OG-N 2.9Å; S411-L570 VanDerWaalsContact OG-N 3.11Å; S411-L570 PolarHBondContact OG-O 3.27Å; S411-V593 WeakPolarHBondContact O-CA 3.29Å; S411-L594 PolarHBondContact O-N 3.47Å | ||
| 412 | V | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 140.5 | -178.7 | 78.8 | 0 | 0 | 0 | 0 | 111.7 | A402 V406 V414 Y426 L570 L571 V572 M590 L594 L596 | A402-V412 HydrophobicContact CB-CG2 4.43Å; V406-V412 HydrophobicContact CG2-CB 3.76Å; V406-V412 HydrophobicContact CG2-CG1 3.59Å; V406-V412 HydrophobicContact CG2-CG2 4.31Å; V412-V414 HydrophobicContact CG1-CG2 4.32Å; V412-V414 HydrophobicContact CG2-CG2 3.95Å; V412-Y426 HydrophobicContact CG1-CD1 4.26Å; V412-L570 PolarHBondContact N-O 3.34Å; V412-L571 HydrophobicContact CG1-CD2 3.75Å; V412-V572 PolarHBondContact O-N 3.19Å; V412-M590 VanDerWaalsContact O-CE 3.25Å; V412-M590 WeakPolarHBondContact O-CE 3.29Å; V412-L594 WeakPolarHBondContact CA-O 3.49Å; V412-L594 HydrophobicContact CG2-CB 4.23Å; V412-L594 HydrophobicContact CG2-CD2 4.26Å; V412-L594 HydrophobicContact CG2-CG 4.28Å; V412-L594 WeakPolarHBondContact CG2-O 3.48Å; V412-L596 HydrophobicContact CG2-CD1 4.46Å |
| 413 | L | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 111.6 | 173 | 172.1 | 58 | 0 | 0 | 0 | 109.2 | V415 V572 W577 M582 L587 M590 V593 L594 V595 L596 | L413-V415 HydrophobicContact CD1-CG2 4.15Å; L413-V415 HydrophobicContact CG-CG2 4.3Å; L413-V572 CarbonylContact C-O 3.59Å; L413-V572 WeakPolarHBondContact CA-O 3.44Å; L413-V572 HydrophobicContact CD1-CB 3.72Å; L413-V572 HydrophobicContact CD1-CG1 3.6Å; L413-W577 HydrophobicContact CD2-CH2 4.12Å; L413-W577 HydrophobicContact CD2-CZ3 3.66Å; L413-M582 HydrophobicContact CD1-CE 4.47Å; L413-M582 HydrophobicContact CD1-SD 4.06Å; L413-M582 HydrophobicContact CD2-SD 4.1Å; L413-L587 HydrophobicContact CD2-CD2 3.93Å; L413-M590 HydrophobicContact CB-CE 4.2Å; L413-V593 HydrophobicContact CB-CG2 4.09Å; L413-L594 PolarHBondContact N-O 3.28Å; L413-V595 HydrophobicContact CB-CG2 4.44Å; L413-V595 HydrophobicContact CD2-CG1 4.24Å; L413-V595 HydrophobicContact CD2-CG2 4.43Å; L413-V595 HydrophobicContact CG-CG1 4.31Å; L413-V595 CarbonylContact O-C 3.55Å; L413-V595 WeakPolarHBondContact O-CA 3.33Å; L413-L596 PolarHBondContact O-N 3.44Å |
| 414 | V | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 117.1 | -177.1 | -169.4 | 0 | 0 | 0 | 0 | 110.7 | V398 V412 K422 V572 S573 G574 L596 | V398-V414 HydrophobicContact CB-CG1 4.03Å; V398-V414 HydrophobicContact CG1-CG1 4.03Å; V398-V414 HydrophobicContact CG2-CG1 4.15Å; V412-V414 HydrophobicContact CG1-CG2 4.32Å; V412-V414 HydrophobicContact CG2-CG2 3.95Å; V414-K422 HydrophobicContact CB-CD 4.46Å; V414-K422 HydrophobicContact CB-CG 4.46Å; V414-K422 HydrophobicContact CG1-CB 4.38Å; V414-K422 HydrophobicContact CG1-CD 4.18Å; V414-K422 HydrophobicContact CG1-CG 3.89Å; V414-K422 WeakPolarHBondContact O-CD 3.48Å; V414-V572 PolarHBondContact N-O 3.32Å; V414-S573 CarbonylContact O-C 3.5Å; V414-S573 WeakPolarHBondContact O-CA 3.44Å; V414-G574 PolarHBondContact O-N 3.43Å; V414-L596 HydrophobicContact CG1-CB 4.42Å; V414-L596 HydrophobicContact CG2-CD1 4.34Å |
| 415 | V | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.3 | -179.1 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | L413 W577 L596 F597 D598 E602 | L413-V415 HydrophobicContact CD1-CG2 4.15Å; L413-V415 HydrophobicContact CG-CG2 4.3Å; V415-W577 HydrophobicContact CG2-CE3 4.13Å; V415-L596 PolarHBondContact N-O 3.12Å; V415-F597 HydrophobicContact CB-CD1 4.06Å; V415-F597 HydrophobicContact CB-CE1 4.32Å; V415-F597 HydrophobicContact CG1-CD1 4.22Å; V415-F597 HydrophobicContact CG1-CE1 4.44Å; V415-F597 WeakPolarHBondContact O-CA 3.19Å; V415-D598 PolarHBondContact O-N 2.88Å; V415-E602 HydrophobicContact CG1-CB 4.26Å |
| 416 | G | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | 159.2 | -174.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K422 G574 R575 | G416-K422 PolarHBondContact O-NZ 2.91Å; G416-G574 PolarHBondContact N-O 2.86Å; G416-G574 VanDerWaalsContact N-O 3.1Å; G416-G574 VanDerWaalsContact O-O 3.1Å; G416-R575 WeakPolarHBondContact O-CA 3.4Å | ||
| 417 | N | 87 | Confident | 91.6 | Very high | 63 Ų | 63 | 25.8 Ų | 25.8 | 34% | 0.337 | 13% | 0.132 | S | C | . | . | trans | -59.6 | 173.4 | -167.5 | -64.4 | -78.6 | 0 | 0 | 0 | 114.8 | I420 K422 D599 K720 | N417-I420 HydrophobicContact CB-CG2 4Å; N417-K422 PolarHBondContact O-NZ 3.2Å; N417-D599 PolarHBondContact ND2-OD2 3.17Å; N417-D599 PolarHBondContact OD1-OD2 2.93Å; N417-K720 PolarHBondContact OD1-NZ 3.02Å | ||
| 418 | L | 81.6 | Confident | 91.8 | Very high | 98 Ų | 98 | 25.6 Ų | 25.6 | 51% | 0.513 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 156.2 | 166.4 | -85.6 | 179.3 | 0 | 0 | 0 | 110.9 | I420 | L418-I420 PolarHBondContact O-N 3.17Š|
| 419 | Q | 80.8 | Confident | 92 | Very high | 178 Ų | 178 | 21.9 Ų | 21.9 | 83% | 0.832 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 5.7 | 171.9 | -62.2 | 177.8 | -9.3 | 0 | 0 | 116.9 | R396 G421 | R396-Q419 PolarHBondContact NH1-O 2.9Å; Q419-G421 PolarHBondContact O-N 2.99Å |
| 420 | I | 84 | Confident | 92.3 | Very high | 25 Ų | 25 | 22 Ų | 22 | 13% | 0.128 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -67.5 | -18.5 | 175.9 | 69.7 | 171.5 | 0 | 0 | 0 | 113.2 | R396 V398 N417 L418 K422 D598 | R396-I420 WeakPolarHBondContact CD-O 3.29Å; R396-I420 VanDerWaalsContact NH1-C 3.33Å; R396-I420 PolarHBondContact NH1-O 2.96Å; V398-I420 HydrophobicContact CG2-CD1 4.47Å; N417-I420 HydrophobicContact CB-CG2 4Å; L418-I420 PolarHBondContact O-N 3.17Å; I420-K422 HydrophobicContact CD1-CD 4.17Å; I420-K422 HydrophobicContact CD1-CG 3.66Å; I420-K422 HydrophobicContact CG1-CD 4.41Å; I420-K422 HydrophobicContact CG1-CG 3.55Å; I420-D598 HydrophobicContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CG2-OD2 3.32Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.37Å |
| 421 | G | 88.1 | Confident | 92.4 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 8% | 0.082 | 11% | 0.105 | C | C | . | . | trans | 102 | 29.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q399 Q419 W424 S425 | Q399-G421 PolarHBondContact NE2-O 3.1Å; Q419-G421 PolarHBondContact O-N 2.99Å; G421-W424 CarbonylContact O-C 3.55Å; G421-W424 PolarHBondContact O-N 2.96Å; G421-S425 PolarHBondContact O-N 3.17Å; G421-S425 VanDerWaalsContact O-N 3.08Å; G421-S425 PolarHBondContact O-OG 2.94Å | ||
| 422 | K | 93.9 | Very high | 92.3 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 4% | 0.039 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -55 | -56.7 | -180 | -61.7 | -162.7 | -68.8 | -94.5 | 0 | 113.1 | V414 G416 N417 I420 W424 S425 Y426 N538 S573 G574 | V414-K422 HydrophobicContact CB-CD 4.46Å; V414-K422 HydrophobicContact CB-CG 4.46Å; V414-K422 HydrophobicContact CG1-CB 4.38Å; V414-K422 HydrophobicContact CG1-CD 4.18Å; V414-K422 HydrophobicContact CG1-CG 3.89Å; V414-K422 WeakPolarHBondContact O-CD 3.48Å; G416-K422 PolarHBondContact O-NZ 2.91Å; N417-K422 PolarHBondContact O-NZ 3.2Å; I420-K422 HydrophobicContact CD1-CD 4.17Å; I420-K422 HydrophobicContact CD1-CG 3.66Å; I420-K422 HydrophobicContact CG1-CD 4.41Å; I420-K422 HydrophobicContact CG1-CG 3.55Å; K422-W424 VanDerWaalsContact C-N 3.29Å; K422-W424 PolarHBondContact O-N 2.83Å; K422-S425 WeakPolarHBondContact O-CA 3.46Å; K422-S425 WeakPolarHBondContact O-CB 3.41Å; K422-S425 PolarHBondContact O-N 2.81Å; K422-S425 PolarHBondContact O-OG 3.41Å; K422-Y426 WeakPolarHBondContact O-CE1 3.42Å; K422-N538 WeakPolarHBondContact CE-OD1 3.45Å; K422-S573 WeakPolarHBondContact CB-OG 3.43Å; K422-S573 WeakPolarHBondContact CD-OG 3.36Å; K422-S573 WeakPolarHBondContact CE-OG 3.38Å; K422-G574 WeakPolarHBondContact CD-O 3.31Å; K422-G574 WeakPolarHBondContact CE-O 3.36Å; K422-G574 PolarHBondContact NZ-O 3.36Å |
| 423 | T | 94.9 | Very high | 92.2 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 10% | 0.104 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -53.9 | -47.6 | 177.2 | -33.1 | 0 | 0 | 0 | 0 | 111 | S425 Y426 L427 F452 I463 W466 D537 | T423-S425 PolarHBondContact O-N 3.11Å; T423-Y426 PolarHBondContact O-N 3.28Å; T423-Y426 VanDerWaalsContact O-N 3.15Å; T423-L427 HydrophobicContact CG2-CB 4.46Å; T423-L427 HydrophobicContact CG2-CD2 4.38Å; T423-L427 WeakPolarHBondContact O-CB 3.18Å; T423-L427 PolarHBondContact O-N 2.98Å; T423-F452 HydrophobicContact CG2-CZ 3.99Å; T423-I463 HydrophobicContact CG2-CD1 4.1Å; T423-I463 HydrophobicContact CG2-CG1 4.19Å; T423-W466 HydrophobicContact CG2-CZ3 4.39Å; T423-D537 WeakPolarHBondContact CB-OD2 3.41Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.13Å; T423-D537 PolarHBondContact OG1-OD2 3.31Å |
| 424 | W | 94.6 | Very high | 92 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 8% | 0.083 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -64 | -7.9 | 174.7 | -76.2 | 106.3 | 0 | 0 | 0 | 115.6 | M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470 | M385-W424 HydrophobicContact CE-CE3 4.16Å; M385-W424 HydrophobicContact CE-CZ3 4.42Å; M385-W424 HydrophobicContact CG-CZ3 4.11Å; M388-W424 HydrophobicContact CE-CH2 3.71Å; M388-W424 HydrophobicContact CE-CZ3 4.45Å; M388-W424 HydrophobicContact SD-CH2 3.76Å; M388-W424 HydrophobicContact SD-CZ2 4.13Å; V390-W424 HydrophobicContact CG1-CD2 4.23Å; V390-W424 HydrophobicContact CG1-CE3 4.08Å; V390-W424 HydrophobicContact CG2-CD2 3.89Å; V390-W424 HydrophobicContact CG2-CE3 3.97Å; V390-W424 HydrophobicContact CG2-CH2 3.95Å; V390-W424 HydrophobicContact CG2-CZ2 3.85Å; V390-W424 HydrophobicContact CG2-CZ3 4.01Å; Q399-W424 VanDerWaalsContact NE2-CB 3.32Å; W403-W424 PolarHBondContact NE1-O 2.8Å; G421-W424 CarbonylContact O-C 3.55Å; G421-W424 PolarHBondContact O-N 2.96Å; K422-W424 VanDerWaalsContact C-N 3.29Å; K422-W424 PolarHBondContact O-N 2.83Å; W424-Y426 VanDerWaalsContact C-N 3.27Å; W424-L427 HydrophobicContact CH2-CD2 4.4Å; W424-L427 HydrophobicContact CZ2-CD2 4.46Å; W424-L427 HydrophobicContact CZ3-CD2 4.47Å; W424-P428 HydrophobicContact CE3-CG 3.94Å; W424-P428 HydrophobicContact CZ3-CG 4.15Å; W424-W466 HydrophobicContact CH2-CB 4.16Å; W424-W466 HydrophobicContact CH2-CG 4.33Å; W424-W466 HydrophobicContact CZ2-CB 3.86Å; W424-W466 AromaticContact CZ2-CD1 3.82Å; W424-W466 AromaticContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CE3 4.38Å; W424-W466 AromaticContact CZ2-CG 3.56Å; W424-W466 HydrophobicContact CZ2-CG 3.56Å; W424-W466 AromaticContact NE1-CD2 3.85Å; W424-W466 AromaticContact NE1-CE2 3.87Å; W424-W466 AromaticContact NE1-CE3 3.89Å; W424-W466 AromaticContact NE1-CZ2 3.97Å; W424-W466 AromaticContact NE1-CZ3 4Å; W424-L470 HydrophobicContact CH2-CD1 4.17Å; W424-L470 HydrophobicContact CH2-CD2 4.46Å; W424-L470 HydrophobicContact CH2-CG 4.43Å; W424-L470 HydrophobicContact CZ3-CD1 4.01Å; W424-L470 HydrophobicContact CZ3-CD2 4.2Å; W424-L470 HydrophobicContact CZ3-CG 4.47Å |
| 425 | S | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -78.8 | -11.7 | 174.7 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | Q399 A402 G421 K422 T423 | Q399-S425 WeakPolarHBondContact CG-OG 3.42Å; A402-S425 WeakPolarHBondContact CB-O 3.4Å; G421-S425 PolarHBondContact O-N 3.17Å; G421-S425 VanDerWaalsContact O-N 3.08Å; G421-S425 PolarHBondContact O-OG 2.94Å; K422-S425 WeakPolarHBondContact O-CA 3.46Å; K422-S425 WeakPolarHBondContact O-CB 3.41Å; K422-S425 PolarHBondContact O-N 2.81Å; K422-S425 PolarHBondContact O-OG 3.41Å; T423-S425 PolarHBondContact O-N 3.11Å |
| 426 | Y | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.2 | -25.5 | 177.5 | 53.8 | -99.7 | 0 | 0 | 0 | 114.8 | V412 K422 T423 W424 T429 V430 F452 A535 D537 L571 | V412-Y426 HydrophobicContact CG1-CD1 4.26Å; K422-Y426 WeakPolarHBondContact O-CE1 3.42Å; T423-Y426 PolarHBondContact O-N 3.28Å; T423-Y426 VanDerWaalsContact O-N 3.15Å; W424-Y426 VanDerWaalsContact C-N 3.27Å; Y426-T429 WeakPolarHBondContact O-CB 3.44Å; Y426-T429 PolarHBondContact O-N 3.28Å; Y426-V430 HydrophobicContact CD2-CG2 4.08Å; Y426-V430 PolarHBondContact O-N 3.06Å; Y426-F452 AromaticContact CE2-CE2 3.85Å; Y426-F452 HydrophobicContact CE2-CE2 3.85Å; Y426-F452 AromaticContact CE2-CZ 3.92Å; Y426-F452 HydrophobicContact CE2-CZ 3.92Å; Y426-A535 HydrophobicContact CE2-CB 4.22Å; Y426-D537 VanDerWaalsContact OH-CB 3.3Å; Y426-D537 WeakPolarHBondContact OH-CB 3.46Å; Y426-D537 PolarHBondContact OH-OD1 2.84Å; Y426-L571 HydrophobicContact CD1-CB 4.48Å; Y426-L571 HydrophobicContact CD2-CB 4.24Å; Y426-L571 HydrophobicContact CD2-CD1 3.74Å; Y426-L571 HydrophobicContact CE2-CB 4.49Å; Y426-L571 HydrophobicContact CG-CB 4.24Å; Y426-L571 HydrophobicContact CG-CD1 3.96Å; Y426-L571 HydrophobicContact CG-CG 4.49Å |
| 427 | L | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -48.5 | -41.9 | -179 | -175.1 | 66.9 | 0 | 0 | 0 | 115.2 | T423 W424 T429 V430 C431 F452 I463 W466 M467 L470 | T423-L427 HydrophobicContact CG2-CB 4.46Å; T423-L427 HydrophobicContact CG2-CD2 4.38Å; T423-L427 WeakPolarHBondContact O-CB 3.18Å; T423-L427 PolarHBondContact O-N 2.98Å; W424-L427 HydrophobicContact CH2-CD2 4.4Å; W424-L427 HydrophobicContact CZ2-CD2 4.46Å; W424-L427 HydrophobicContact CZ3-CD2 4.47Å; L427-T429 PolarHBondContact O-N 2.9Å; L427-V430 PolarHBondContact O-N 2.74Å; L427-C431 PolarHBondContact O-N 3.31Å; L427-C431 PolarHBondContact O-SG 3.23Å; L427-F452 HydrophobicContact CD1-CE2 4.03Å; L427-I463 HydrophobicContact CD1-CG2 4.35Å; L427-W466 HydrophobicContact CD2-CB 3.78Å; L427-W466 HydrophobicContact CD2-CE3 4.02Å; L427-M467 HydrophobicContact CD1-CE 3.67Å; L427-M467 HydrophobicContact CD1-CG 3.82Å; L427-L470 HydrophobicContact CD2-CD1 4.16Å; L427-L470 HydrophobicContact CG-CD1 3.87Å |
| 428 | P | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 177.8 | -22.4 | 33.8 | 0 | 0 | 0 | 112.9 | I381 M385 W424 Q432 | I381-P428 HydrophobicContact CG2-CB 3.68Å; M385-P428 HydrophobicContact CE-CB 4.19Å; M385-P428 HydrophobicContact CE-CG 3.42Å; M385-P428 VanDerWaalsContact CE-CG 3.42Å; M385-P428 HydrophobicContact CG-CG 4.37Å; M385-P428 HydrophobicContact SD-CB 3.56Å; M385-P428 VanDerWaalsContact SD-CB 3.56Å; M385-P428 HydrophobicContact SD-CG 3.46Å; M385-P428 WeakPolarHBondContact SD-CG 3.48Å; W424-P428 HydrophobicContact CE3-CG 3.94Å; W424-P428 HydrophobicContact CZ3-CG 4.15Å; P428-Q432 WeakPolarHBondContact O-CB 3.46Å; P428-Q432 PolarHBondContact O-N 2.83Å; P428-Q432 VanDerWaalsContact O-N 3.09Å |
| 429 | T | 92.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.3 | -39.3 | 176.4 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | V406 Y426 L427 Q432 R433 | V406-T429 HydrophobicContact CG1-CG2 4.03Å; Y426-T429 WeakPolarHBondContact O-CB 3.44Å; Y426-T429 PolarHBondContact O-N 3.28Å; L427-T429 PolarHBondContact O-N 2.9Å; T429-Q432 PolarHBondContact O-N 2.74Å; T429-R433 HydrophobicContact CG2-CG 4.12Å; T429-R433 WeakPolarHBondContact O-CB 3.32Å; T429-R433 PolarHBondContact O-N 3.28Å |
| 430 | V | 94.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.03 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.2 | -51 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | Y426 L427 S434 C450 F452 I505 L571 | Y426-V430 HydrophobicContact CD2-CG2 4.08Å; Y426-V430 PolarHBondContact O-N 3.06Å; L427-V430 PolarHBondContact O-N 2.74Å; V430-S434 WeakPolarHBondContact O-CB 3.37Å; V430-S434 PolarHBondContact O-N 2.88Å; V430-S434 PolarHBondContact O-OG 2.79Å; V430-C450 HydrophobicContact CG1-CB 4.39Å; V430-F452 HydrophobicContact CG1-CD2 4.45Å; V430-I505 HydrophobicContact CG1-CD1 4.14Å; V430-L571 HydrophobicContact CG2-CD1 3.32Å |
| 431 | C | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.9 | -49.5 | 177.8 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | L427 H435 L470 L471 | L427-C431 PolarHBondContact O-N 3.31Å; L427-C431 PolarHBondContact O-SG 3.23Å; C431-H435 VanDerWaalsContact O-CB 3.29Å; C431-H435 WeakPolarHBondContact O-CB 3.5Å; C431-H435 PolarHBondContact O-N 2.88Å; C431-L470 HydrophobicContact CB-CB 3.88Å; C431-L470 HydrophobicContact CB-CD1 4.11Å; C431-L470 VanDerWaalsContact SG-CD1 3.54Å; C431-L471 HydrophobicContact CB-CD2 3.89Å; C431-L471 HydrophobicContact CB-CG 4.04Å; C431-L471 WeakPolarHBondContact O-CD2 3.1Å |
| 432 | Q | 93.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -52.5 | -178.2 | -164.2 | -173.3 | -61.2 | 0 | 0 | 112.5 | D376 S378 I381 P428 T429 H435 E436 | D376-Q432 PolarHBondContact O-NE2 3.12Å; S378-Q432 VanDerWaalsContact CB-OE1 3.25Å; S378-Q432 PolarHBondContact OG-OE1 3.02Å; I381-Q432 HydrophobicContact CD1-CB 4.49Å; I381-Q432 HydrophobicContact CG1-CB 4.09Å; I381-Q432 HydrophobicContact CG1-CG 4.21Å; P428-Q432 WeakPolarHBondContact O-CB 3.46Å; P428-Q432 PolarHBondContact O-N 2.83Å; P428-Q432 VanDerWaalsContact O-N 3.09Å; T429-Q432 PolarHBondContact O-N 2.74Å; Q432-H435 PolarHBondContact O-N 3.01Å; Q432-E436 HydrophobicContact CG-CG 4.45Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.35Å; Q432-E436 PolarHBondContact NE2-OE1 3.08Å; Q432-E436 WeakPolarHBondContact O-CB 3.49Å; Q432-E436 WeakPolarHBondContact O-CG 3.42Å; Q432-E436 PolarHBondContact O-N 3.33Å |
| 433 | R | 91.9 | Very high | 91.8 | Very high | 85 Ų | 85 | 35.3 Ų | 35.3 | 32% | 0.321 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.6 | -43.1 | -179.3 | -76.1 | -174.7 | 164.3 | -132.2 | -4.5 | 112 | S407 T429 H435 E436 D437 | S407-R433 PolarHBondContact O-NE 3.13Å; S407-R433 PolarHBondContact O-NH2 2.75Å; T429-R433 HydrophobicContact CG2-CG 4.12Å; T429-R433 WeakPolarHBondContact O-CB 3.32Å; T429-R433 PolarHBondContact O-N 3.28Å; R433-H435 VanDerWaalsContact C-N 3.28Å; R433-H435 PolarHBondContact O-N 2.61Å; R433-E436 PolarHBondContact O-N 3.35Å; R433-D437 WeakPolarHBondContact O-CB 3.37Å; R433-D437 PolarHBondContact O-N 3.06Å |
| 434 | S | 93.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -38.2 | -179.8 | -53 | 0 | 0 | 0 | 0 | 111.5 | V430 L438 C450 | V430-S434 WeakPolarHBondContact O-CB 3.37Å; V430-S434 PolarHBondContact O-N 2.88Å; V430-S434 PolarHBondContact O-OG 2.79Å; S434-L438 WeakPolarHBondContact O-CB 3.41Å; S434-L438 PolarHBondContact O-N 3.31Å; S434-C450 WeakPolarHBondContact OG-CB 3.22Å |
| 435 | H | 92.9 | Very high | 90.7 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 7% | 0.069 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.5 | -51.2 | 174.2 | 178.8 | 81.9 | 0 | 0 | 0 | 112.1 | C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482 | C431-H435 VanDerWaalsContact O-CB 3.29Å; C431-H435 WeakPolarHBondContact O-CB 3.5Å; C431-H435 PolarHBondContact O-N 2.88Å; Q432-H435 PolarHBondContact O-N 3.01Å; R433-H435 VanDerWaalsContact C-N 3.28Å; R433-H435 PolarHBondContact O-N 2.61Å; H435-D437 VanDerWaalsContact C-N 3.3Å; H435-D437 PolarHBondContact O-N 3.12Å; H435-L438 WeakPolarHBondContact O-CA 3.34Å; H435-L438 WeakPolarHBondContact O-CB 3.45Å; H435-L438 PolarHBondContact O-N 2.62Å; H435-Q439 PolarHBondContact CE1-NE2 3.5Å; H435-Q439 WeakPolarHBondContact O-CG 3.4Å; H435-Q439 PolarHBondContact O-N 3.44Å; H435-L471 HydrophobicContact CB-CD2 3.81Å; H435-L474 HydrophobicContact CB-CD1 3.89Å; H435-G475 PolarHBondContact CE1-O 3.22Å; H435-G475 PolarHBondContact NE2-O 3.46Å; H435-D482 IonicContact CE1-OD1 3.06Å; H435-D482 IonicContact CG-OD1 2.79Å; H435-D482 IonicContact ND1-OD1 3.55Å; H435-D482 PolarHBondContact ND1-OD1 3.3Å |
| 436 | E | 91.4 | Very high | 90.5 | Very high | 64 Ų | 64 | 45 Ų | 45 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54.6 | -44.7 | 177.8 | -83 | -174.1 | -133.3 | 0 | 0 | 112.4 | Q432 R433 Q439 R440 | Q432-E436 HydrophobicContact CG-CG 4.45Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.35Å; Q432-E436 PolarHBondContact NE2-OE1 3.08Å; Q432-E436 WeakPolarHBondContact O-CB 3.49Å; Q432-E436 WeakPolarHBondContact O-CG 3.42Å; Q432-E436 PolarHBondContact O-N 3.33Å; R433-E436 PolarHBondContact O-N 3.35Å; E436-Q439 PolarHBondContact O-N 2.76Å; E436-R440 WeakPolarHBondContact O-CD 3.35Å; E436-R440 WeakPolarHBondContact O-CG 3.49Å; E436-R440 PolarHBondContact O-N 3.38Å; E436-R440 IonicContact OE2-CZ 3.9Å; E436-R440 IonicContact OE2-NH1 3.4Å; E436-R440 PolarHBondContact OE2-NH1 2.85Å; E436-R440 IonicContact OE2-NH2 3.74Å; E436-R440 PolarHBondContact OE2-NH2 3.36Å |
| 437 | D | 91.2 | Very high | 90.3 | Very high | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.193 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.4 | -28.7 | 177.5 | -75.7 | -25.4 | 0 | 0 | 0 | 112.1 | R433 H435 R440 R441 T449 | R433-D437 WeakPolarHBondContact O-CB 3.37Å; R433-D437 PolarHBondContact O-N 3.06Å; H435-D437 VanDerWaalsContact C-N 3.3Å; H435-D437 PolarHBondContact O-N 3.12Å; D437-R440 PolarHBondContact O-N 3Å; D437-R440 VanDerWaalsContact O-N 3.13Å; D437-R440 IonicContact OD1-CZ 3.53Å; D437-R440 IonicContact OD1-NH1 3.48Å; D437-R440 PolarHBondContact OD1-NH1 3.01Å; D437-R441 WeakPolarHBondContact O-CG 3.37Å; D437-R441 PolarHBondContact O-N 3.23Å; D437-T449 HydrophobicContact CB-CG2 3.67Å |
| 438 | L | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -43.5 | 169.2 | -177.9 | 62.7 | 0 | 0 | 0 | 111.7 | S434 H435 R440 R441 F480 P502 | S434-L438 WeakPolarHBondContact O-CB 3.41Å; S434-L438 PolarHBondContact O-N 3.31Å; H435-L438 WeakPolarHBondContact O-CA 3.34Å; H435-L438 WeakPolarHBondContact O-CB 3.45Å; H435-L438 PolarHBondContact O-N 2.62Å; L438-R440 PolarHBondContact O-N 3.48Å; L438-R441 PolarHBondContact O-N 2.93Å; L438-F480 HydrophobicContact CD1-CB 3.87Å; L438-F480 HydrophobicContact CD1-CD2 3.85Å; L438-F480 HydrophobicContact CD1-CG 4.18Å; L438-F480 HydrophobicContact CD2-CB 4.04Å; L438-F480 HydrophobicContact CG-CB 4.18Å; L438-F480 HydrophobicContact CG-CD2 4.26Å; L438-P502 HydrophobicContact CD1-CB 3.83Å |
| 439 | Q | 89.1 | Confident | 90.3 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.2 | 175 | -58.2 | -45.2 | -57.7 | 0 | 0 | 113.2 | H435 E436 S478 | H435-Q439 PolarHBondContact CE1-NE2 3.5Å; H435-Q439 WeakPolarHBondContact O-CG 3.4Å; H435-Q439 PolarHBondContact O-N 3.44Å; E436-Q439 PolarHBondContact O-N 2.76Å; Q439-S478 PolarHBondContact NE2-OG 2.81Å; Q439-S478 VanDerWaalsContact OE1-N 3.12Å; Q439-S478 PolarHBondContact OE1-OG 3Å |
| 440 | R | 89.1 | Confident | 90.5 | Very high | 151 Ų | 151 | 44.8 Ų | 44.8 | 57% | 0.57 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -2.6 | 178.2 | -63.2 | 165.5 | -169.9 | 137.6 | 7.5 | 113.4 | E436 D437 L438 | E436-R440 WeakPolarHBondContact O-CD 3.35Å; E436-R440 WeakPolarHBondContact O-CG 3.49Å; E436-R440 PolarHBondContact O-N 3.38Å; E436-R440 IonicContact OE2-CZ 3.9Å; E436-R440 IonicContact OE2-NH1 3.4Å; E436-R440 PolarHBondContact OE2-NH1 2.85Å; E436-R440 IonicContact OE2-NH2 3.74Å; E436-R440 PolarHBondContact OE2-NH2 3.36Å; D437-R440 PolarHBondContact O-N 3Å; D437-R440 VanDerWaalsContact O-N 3.13Å; D437-R440 IonicContact OD1-CZ 3.53Å; D437-R440 IonicContact OD1-NH1 3.48Å; D437-R440 PolarHBondContact OD1-NH1 3.01Å; L438-R440 PolarHBondContact O-N 3.48Å |
| 441 | R | 87.8 | Confident | 90.6 | Very high | 43 Ų | 43 | 44.6 Ų | 44.6 | 16% | 0.162 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -85.7 | 141.2 | -178.2 | -54.6 | -148.7 | 74.5 | -155.4 | -0.6 | 111.4 | D437 L438 R446 P502 D527 | D437-R441 WeakPolarHBondContact O-CG 3.37Å; D437-R441 PolarHBondContact O-N 3.23Å; L438-R441 PolarHBondContact O-N 2.93Å; R441-R446 PolarHBondContact NH1-O 3.42Å; R441-P502 HydrophobicContact CB-CB 4.22Å; R441-P502 HydrophobicContact CB-CG 4.47Å; R441-D527 IonicContact CZ-OD2 3.67Å; R441-D527 IonicContact NH2-OD2 2.69Å; R441-D527 PolarHBondContact NH2-OD2 3.04Å |
| 442 | P | 83.7 | Confident | 90.8 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 56% | 0.558 | 22% | 0.217 | S | C | * | . | trans | -73 | 153.2 | 169.9 | 32.2 | -35.2 | 0 | 0 | 0 | 111 | V444 G445 P502 | P442-V444 PolarHBondContact O-N 3.2Å; P442-V444 VanDerWaalsContact O-N 3.12Å; P442-G445 WeakPolarHBondContact O-CA 3.36Å; P442-G445 PolarHBondContact O-N 3.23Å; P442-P502 WeakPolarHBondContact O-CG 3.3Å | ||
| 443 | D | 79.9 | Confident | 91 | Very high | 129 Ų | 129 | 43.9 Ų | 43.9 | 69% | 0.69 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.8 | 179.9 | -54.4 | -0.1 | 0 | 0 | 0 | 114.1 | G445 F480 | D443-G445 PolarHBondContact O-N 3.02Å; D443-F480 HydrophobicContact CB-CZ 4.38Å |
| 444 | V | 82.2 | Confident | 91.2 | Very high | 135 Ų | 135 | 39.8 Ų | 39.8 | 82% | 0.818 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -1.3 | 176.2 | -153 | 0 | 0 | 0 | 0 | 112.2 | P442 | P442-V444 PolarHBondContact O-N 3.2Å; P442-V444 VanDerWaalsContact O-N 3.12Å |
| 445 | G | 83.9 | Confident | 91 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | trans | -69.2 | 165.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P442 D443 P502 | P442-G445 WeakPolarHBondContact O-CA 3.36Å; P442-G445 PolarHBondContact O-N 3.23Å; D443-G445 PolarHBondContact O-N 3.02Å; G445-P502 WeakPolarHBondContact O-CD 3.48Å | ||
| 446 | R | 89.3 | Confident | 90.8 | Very high | 99 Ų | 99 | 42.8 Ų | 42.8 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | trans | -150.3 | 160.3 | -177.8 | 65.6 | -162.3 | -174.7 | -90.4 | -2.1 | 112.1 | R441 K500 G523 D527 | R441-R446 PolarHBondContact NH1-O 3.42Å; R446-K500 WeakPolarHBondContact CB-O 3.43Å; R446-G523 VanDerWaalsContact CZ-O 3.27Å; R446-G523 PolarHBondContact NE-O 3.11Å; R446-G523 PolarHBondContact NH2-O 3.47Å; R446-D527 HydrophobicContact CG-CB 4.32Å | ||
| 447 | G | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.2 | 176.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L499 K501 V503 I525 | G447-L499 WeakPolarHBondContact CA-O 3.48Å; G447-L499 PolarHBondContact N-O 3.33Å; G447-K501 PolarHBondContact N-O 3.47Å; G447-K501 VanDerWaalsContact N-O 3.12Å; G447-V503 PolarHBondContact O-N 2.77Å; G447-V503 VanDerWaalsContact O-N 3.14Å; G447-I525 WeakPolarHBondContact CA-O 3.46Å |
| 448 | P | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 152 | -175.9 | 34.3 | -33.1 | 0 | 0 | 0 | 112 | I451 V503 L506 F526 V531 | P448-I451 HydrophobicContact CG-CD1 4.42Å; P448-I451 HydrophobicContact CG-CG1 3.76Å; P448-V503 CarbonylContact C-O 3.57Å; P448-V503 VanDerWaalsContact CA-O 3.3Å; P448-V503 WeakPolarHBondContact CA-O 3.23Å; P448-V503 HydrophobicContact CB-CG1 4.43Å; P448-L506 HydrophobicContact CB-CB 3.74Å; P448-L506 HydrophobicContact CG-CB 3.87Å; P448-L506 HydrophobicContact CG-CD2 4.38Å; P448-F526 HydrophobicContact CG-CD1 4.15Å; P448-F526 HydrophobicContact CG-CE1 4.02Å; P448-V531 WeakPolarHBondContact O-CG2 3.37Å |
| 449 | T | 94.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -31.4 | 168.7 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | D437 V503 G504 V531 K532 | D437-T449 HydrophobicContact CB-CG2 3.67Å; T449-V503 PolarHBondContact N-O 2.95Å; T449-V503 PolarHBondContact OG1-O 3.11Å; T449-G504 WeakPolarHBondContact CA-O 3.38Å; T449-G504 WeakPolarHBondContact CB-O 3.49Å; T449-G504 PolarHBondContact N-O 2.77Å; T449-V531 CarbonylContact O-C 3.55Å; T449-V531 WeakPolarHBondContact O-CA 3.24Å; T449-K532 HydrophobicContact CG2-CG 4.14Å; T449-K532 PolarHBondContact O-N 3.33Å |
| 450 | C | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.4 | 172.5 | 177.5 | 0 | 0 | 0 | 0 | 112 | V430 S434 G504 I505 L506 C533 | V430-C450 HydrophobicContact CG1-CB 4.39Å; S434-C450 WeakPolarHBondContact OG-CB 3.22Å; C450-G504 PolarHBondContact N-O 2.85Å; C450-I505 HydrophobicContact CB-CG1 4.31Å; C450-I505 CarbonylContact O-C 3.53Å; C450-I505 WeakPolarHBondContact O-CA 3.39Å; C450-L506 PolarHBondContact O-N 3.3Å; C450-C533 VanDerWaalsContact CA-O 3.29Å; C450-C533 WeakPolarHBondContact CA-O 3.47Å; C450-C533 HydrophobicContact CB-CB 4.06Å; C450-C533 VanDerWaalsContact SG-SG 3.61Å |
| 451 | I | 97.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.2 | 169.5 | -58.5 | 172.8 | 0 | 0 | 0 | 108.4 | P448 V453 L513 F526 V531 C533 I534 A535 F561 | P448-I451 HydrophobicContact CG-CD1 4.42Å; P448-I451 HydrophobicContact CG-CG1 3.76Å; I451-V453 HydrophobicContact CG2-CG2 4.16Å; I451-L513 HydrophobicContact CG2-CD1 4.1Å; I451-L513 HydrophobicContact CG2-CD2 3.76Å; I451-F526 HydrophobicContact CD1-CD1 3.97Å; I451-F526 HydrophobicContact CD1-CE1 3.8Å; I451-F526 HydrophobicContact CG1-CE1 4.39Å; I451-V531 HydrophobicContact CD1-CG1 4.25Å; I451-V531 HydrophobicContact CD1-CG2 4.09Å; I451-V531 HydrophobicContact CG1-CG1 4.26Å; I451-V531 HydrophobicContact CG1-CG2 4.36Å; I451-C533 PolarHBondContact N-O 3.1Å; I451-I534 HydrophobicContact CB-CG1 4.33Å; I451-I534 CarbonylContact O-C 3.56Å; I451-I534 VanDerWaalsContact O-CA 3.3Å; I451-I534 WeakPolarHBondContact O-CA 3.41Å; I451-A535 PolarHBondContact O-N 3.26Å; I451-F561 HydrophobicContact CD1-CE1 4.39Å; I451-F561 HydrophobicContact CD1-CE2 4.2Å; I451-F561 HydrophobicContact CD1-CZ 3.72Å |
| 452 | F | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.2 | 178.9 | -157 | -64.2 | 0 | 0 | 0 | 109.7 | T423 Y426 L427 V430 I463 M467 I505 L506 L507 T508 A535 D537 | T423-F452 HydrophobicContact CG2-CZ 3.99Å; Y426-F452 AromaticContact CE2-CE2 3.85Å; Y426-F452 HydrophobicContact CE2-CE2 3.85Å; Y426-F452 AromaticContact CE2-CZ 3.92Å; Y426-F452 HydrophobicContact CE2-CZ 3.92Å; L427-F452 HydrophobicContact CD1-CE2 4.03Å; V430-F452 HydrophobicContact CG1-CD2 4.45Å; F452-I463 HydrophobicContact CE1-CD1 3.82Å; F452-I463 HydrophobicContact CE1-CG2 4.09Å; F452-I463 HydrophobicContact CE2-CG2 4.49Å; F452-I463 HydrophobicContact CZ-CD1 4.24Å; F452-I463 HydrophobicContact CZ-CG2 4.07Å; F452-M467 HydrophobicContact CB-CE 4.07Å; F452-M467 HydrophobicContact CD1-CE 4.4Å; F452-M467 HydrophobicContact CD2-CE 3.26Å; F452-M467 HydrophobicContact CE2-CE 3.72Å; F452-M467 HydrophobicContact CG-CE 3.66Å; F452-M467 HydrophobicContact CZ-CE 4.47Å; F452-I505 HydrophobicContact CB-CG2 4.03Å; F452-L506 PolarHBondContact N-O 3.48Å; F452-L507 HydrophobicContact CB-CB 4.37Å; F452-L507 HydrophobicContact CB-CD1 3.9Å; F452-L507 HydrophobicContact CD1-CD1 3.49Å; F452-L507 VanDerWaalsContact CD1-CD1 3.49Å; F452-L507 HydrophobicContact CE1-CD1 4.35Å; F452-L507 HydrophobicContact CG-CD1 3.94Å; F452-L507 WeakPolarHBondContact O-CA 3.39Å; F452-T508 PolarHBondContact O-N 3.43Å; F452-A535 HydrophobicContact CD1-CB 4.4Å; F452-A535 HydrophobicContact CD2-CB 3.52Å; F452-A535 HydrophobicContact CE2-CB 3.71Å; F452-A535 HydrophobicContact CG-CB 3.91Å; F452-A535 HydrophobicContact CZ-CB 4.21Å; F452-D537 HydrophobicContact CE1-CB 3.73Å; F452-D537 HydrophobicContact CZ-CB 4.03Å |
| 453 | V | 98.1 | Very high | 92 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.8 | -179.4 | -167.5 | 0 | 0 | 0 | 0 | 109.3 | I451 T508 V510 L513 A535 L536 D537 M542 | I451-V453 HydrophobicContact CG2-CG2 4.16Å; V453-T508 WeakPolarHBondContact CA-O 3.48Å; V453-V510 HydrophobicContact CG1-CG2 3.78Å; V453-L513 HydrophobicContact CG2-CD2 3.58Å; V453-A535 PolarHBondContact N-O 2.95Å; V453-L536 HydrophobicContact CB-CD2 3.88Å; V453-L536 HydrophobicContact CG2-CD2 3.87Å; V453-D537 PolarHBondContact O-N 2.82Å; V453-M542 HydrophobicContact CB-CE 4.04Å; V453-M542 HydrophobicContact CG1-CE 3.93Å; V453-M542 HydrophobicContact CG1-SD 4.04Å; V453-M542 WeakPolarHBondContact O-CE 3.35Å |
| 454 | C | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -132.5 | 166.5 | 171.7 | 69.3 | 0 | 0 | 0 | 0 | 111.4 | N456 G460 I463 W487 T508 | C454-N456 PolarHBondContact O-N 3.49Å; C454-N456 PolarHBondContact SG-O 3.41Å; C454-G460 WeakPolarHBondContact SG-CA 3.48Å; C454-G460 PolarHBondContact SG-N 2.74Å; C454-I463 HydrophobicContact CB-CD1 4.23Å; C454-W487 VanDerWaalsContact SG-CH2 3.51Å; C454-T508 PolarHBondContact N-O 3.05Å | ||
| 455 | P | 90.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 8% | 0.078 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -73.7 | -20.8 | -167.3 | -17.2 | 31.7 | 0 | 0 | 0 | 115.4 | Q459 D537 N538 D541 M542 | P455-Q459 VanDerWaalsContact CD-OE1 3.25Å; P455-D537 WeakPolarHBondContact CD-O 3.19Å; P455-N538 HydrophobicContact CG-CB 3.88Å; P455-D541 HydrophobicContact CB-CB 3.72Å; P455-D541 HydrophobicContact CG-CB 3.51Å; P455-M542 HydrophobicContact CB-CG 4.25Å; P455-M542 HydrophobicContact CG-CG 4.09Å |
| 456 | N | 89.1 | Confident | 93.9 | Very high | 68 Ų | 68 | 40 Ų | 40 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -164.3 | 163.6 | -179.6 | 56.2 | 71.9 | 0 | 0 | 0 | 111.9 | C454 G458 Q459 G460 | C454-N456 PolarHBondContact O-N 3.49Å; C454-N456 PolarHBondContact SG-O 3.41Å; N456-G458 PolarHBondContact O-N 3.04Å; N456-G458 WeakPolarHBondContact OD1-CA 3.37Å; N456-G458 PolarHBondContact OD1-N 3.16Å; N456-G458 VanDerWaalsContact OD1-N 3.11Å; N456-Q459 PolarHBondContact O-N 3.07Å; N456-Q459 PolarHBondContact OD1-N 3.2Å; N456-G460 PolarHBondContact O-N 3.41Å |
| 457 | Q | 91.4 | Very high | 94.1 | Very high | 83 Ų | 83 | 35.3 Ų | 35.3 | 39% | 0.388 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -57 | -32 | 177.4 | -176.3 | -170.6 | 78.9 | 0 | 0 | 113.4 | G460 K461 W487 | Q457-G460 CarbonylContact O-C 3.58Å; Q457-G460 WeakPolarHBondContact O-CA 3.37Å; Q457-G460 PolarHBondContact O-N 3.01Å; Q457-K461 VanDerWaalsContact CD-CE 3.45Å; Q457-K461 VanDerWaalsContact CD-NZ 3.28Å; Q457-K461 HydrophobicContact CG-CD 3.91Å; Q457-K461 HydrophobicContact CG-CG 4.12Å; Q457-K461 WeakPolarHBondContact O-CB 3.4Å; Q457-K461 WeakPolarHBondContact O-CG 3.33Å; Q457-K461 PolarHBondContact O-N 3.48Å; Q457-W487 HydrophobicContact CB-CB 4.37Å; Q457-W487 HydrophobicContact CB-CD2 4.05Å; Q457-W487 HydrophobicContact CB-CE3 4.03Å; Q457-W487 HydrophobicContact CB-CG 4.21Å; Q457-W487 HydrophobicContact CG-CB 3.92Å; Q457-W487 HydrophobicContact CG-CD2 3.85Å; Q457-W487 HydrophobicContact CG-CE3 4.36Å; Q457-W487 HydrophobicContact CG-CG 3.63Å |
| 458 | G | 90.7 | Very high | 94.1 | Very high | 51 Ų | 51 | 38.2 Ų | 38.2 | 53% | 0.526 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.6 | -49.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N456 G460 Q462 | N456-G458 PolarHBondContact O-N 3.04Å; N456-G458 WeakPolarHBondContact OD1-CA 3.37Å; N456-G458 PolarHBondContact OD1-N 3.16Å; N456-G458 VanDerWaalsContact OD1-N 3.11Å; G458-G460 VanDerWaalsContact C-N 3.3Å; G458-Q462 PolarHBondContact O-N 2.96Å |
| 459 | Q | 89.6 | Confident | 94 | Very high | 40 Ų | 40 | 41 Ų | 41 | 19% | 0.187 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 170.6 | -65.7 | -174.6 | 20.3 | 0 | 0 | 111 | P455 N456 Q462 I463 N538 | P455-Q459 VanDerWaalsContact CD-OE1 3.25Å; N456-Q459 PolarHBondContact O-N 3.07Å; N456-Q459 PolarHBondContact OD1-N 3.2Å; Q459-Q462 PolarHBondContact O-N 2.74Å; Q459-I463 WeakPolarHBondContact O-CG1 3.45Å; Q459-I463 PolarHBondContact O-N 3.41Å; Q459-N538 PolarHBondContact OE1-ND2 3.05Å |
| 460 | G | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.5 | -55.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C454 N456 Q457 G458 Q462 I463 E464 W487 | C454-G460 WeakPolarHBondContact SG-CA 3.48Å; C454-G460 PolarHBondContact SG-N 2.74Å; N456-G460 PolarHBondContact O-N 3.41Å; Q457-G460 CarbonylContact O-C 3.58Å; Q457-G460 WeakPolarHBondContact O-CA 3.37Å; Q457-G460 PolarHBondContact O-N 3.01Å; G458-G460 VanDerWaalsContact C-N 3.3Å; G460-Q462 PolarHBondContact O-N 3.45Å; G460-I463 PolarHBondContact O-N 2.77Å; G460-E464 WeakPolarHBondContact O-CB 3.06Å; G460-E464 PolarHBondContact O-N 3.13Å; G460-W487 VanDerWaalsContact CA-CH2 3.49Å |
| 461 | K | 94.3 | Very high | 93.6 | Very high | 94 Ų | 94 | 41.2 Ų | 41.2 | 41% | 0.409 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.4 | -30.9 | 177.6 | -76.4 | 172.7 | 170.8 | 168.7 | 0 | 113 | Q457 R465 | Q457-K461 VanDerWaalsContact CD-CE 3.45Å; Q457-K461 VanDerWaalsContact CD-NZ 3.28Å; Q457-K461 HydrophobicContact CG-CD 3.91Å; Q457-K461 HydrophobicContact CG-CG 4.12Å; Q457-K461 WeakPolarHBondContact O-CB 3.4Å; Q457-K461 WeakPolarHBondContact O-CG 3.33Å; Q457-K461 PolarHBondContact O-N 3.48Å; K461-R465 VanDerWaalsContact O-CG 3.31Å; K461-R465 WeakPolarHBondContact O-CG 3.48Å; K461-R465 PolarHBondContact O-N 3.44Å |
| 462 | Q | 93.6 | Very high | 93.1 | Very high | 104 Ų | 104 | 45.7 Ų | 45.7 | 49% | 0.486 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.3 | -42.2 | 173.6 | -176.2 | 173.1 | 57.7 | 0 | 0 | 111.8 | G458 Q459 G460 R465 W466 | G458-Q462 PolarHBondContact O-N 2.96Å; Q459-Q462 PolarHBondContact O-N 2.74Å; G460-Q462 PolarHBondContact O-N 3.45Å; Q462-R465 PolarHBondContact O-N 2.84Å; Q462-W466 HydrophobicContact CG-CD2 4.39Å; Q462-W466 HydrophobicContact CG-CH2 3.73Å; Q462-W466 HydrophobicContact CG-CZ2 3.52Å; Q462-W466 HydrophobicContact CG-CZ3 4.27Å; Q462-W466 PolarHBondContact O-N 3.13Å |
| 463 | I | 95.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 177.7 | -66 | 170.7 | 0 | 0 | 0 | 110.9 | T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507 | T423-I463 HydrophobicContact CG2-CD1 4.1Å; T423-I463 HydrophobicContact CG2-CG1 4.19Å; L427-I463 HydrophobicContact CD1-CG2 4.35Å; F452-I463 HydrophobicContact CE1-CD1 3.82Å; F452-I463 HydrophobicContact CE1-CG2 4.09Å; F452-I463 HydrophobicContact CE2-CG2 4.49Å; F452-I463 HydrophobicContact CZ-CD1 4.24Å; F452-I463 HydrophobicContact CZ-CG2 4.07Å; C454-I463 HydrophobicContact CB-CD1 4.23Å; Q459-I463 WeakPolarHBondContact O-CG1 3.45Å; Q459-I463 PolarHBondContact O-N 3.41Å; G460-I463 PolarHBondContact O-N 2.77Å; I463-R465 PolarHBondContact O-N 2.91Å; I463-W466 HydrophobicContact CG1-CE3 4.1Å; I463-W466 HydrophobicContact CG1-CZ3 4.04Å; I463-W466 PolarHBondContact O-N 2.57Å; I463-W466 VanDerWaalsContact O-N 3.13Å; I463-M467 HydrophobicContact CG2-CE 3.69Å; I463-M467 HydrophobicContact CG2-CG 4.29Å; I463-M467 HydrophobicContact CG2-SD 4.13Å; I463-M467 WeakPolarHBondContact O-CG 3.45Å; I463-M467 PolarHBondContact O-N 2.73Å; I463-L507 HydrophobicContact CB-CD2 4.45Å; I463-L507 HydrophobicContact CG2-CD1 4.41Å; I463-L507 HydrophobicContact CG2-CD2 4.22Å |
| 464 | E | 95.6 | Very high | 91.6 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 23% | 0.229 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54 | -49.6 | 172.7 | -177.8 | 172.5 | -150.8 | 0 | 0 | 111.5 | G460 W466 M467 S468 T485 L507 | G460-E464 WeakPolarHBondContact O-CB 3.06Å; G460-E464 PolarHBondContact O-N 3.13Å; E464-W466 VanDerWaalsContact C-N 3.32Å; E464-W466 PolarHBondContact O-N 3.48Å; E464-M467 PolarHBondContact O-N 2.61Å; E464-S468 PolarHBondContact O-N 3.46Å; E464-S468 PolarHBondContact O-OG 3.35Å; E464-T485 HydrophobicContact CB-CG2 4.39Å; E464-T485 VanDerWaalsContact CD-CG2 3.42Å; E464-T485 HydrophobicContact CG-CG2 3.93Å; E464-T485 WeakPolarHBondContact OE1-CB 3.09Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.2Å; E464-T485 PolarHBondContact OE1-OG1 3.35Å; E464-L507 HydrophobicContact CB-CD2 3.93Å |
| 465 | R | 93.9 | Very high | 90.5 | Very high | 173 Ų | 173 | 52.4 Ų | 52.4 | 65% | 0.653 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.2 | -41.2 | 174.6 | -71.9 | 170.3 | -177.8 | -178.3 | 0.9 | 112.7 | K461 Q462 I463 T469 | K461-R465 VanDerWaalsContact O-CG 3.31Å; K461-R465 WeakPolarHBondContact O-CG 3.48Å; K461-R465 PolarHBondContact O-N 3.44Å; Q462-R465 PolarHBondContact O-N 2.84Å; I463-R465 PolarHBondContact O-N 2.91Å; R465-T469 PolarHBondContact O-N 3.47Å; R465-T469 PolarHBondContact O-OG1 2.99Å |
| 466 | W | 94.7 | Very high | 89.3 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 24% | 0.235 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70 | -41.3 | 176.8 | -62.4 | -28.5 | 0 | 0 | 0 | 112.2 | T423 W424 L427 Q462 I463 E464 T469 L470 | T423-W466 HydrophobicContact CG2-CZ3 4.39Å; W424-W466 HydrophobicContact CH2-CB 4.16Å; W424-W466 HydrophobicContact CH2-CG 4.33Å; W424-W466 HydrophobicContact CZ2-CB 3.86Å; W424-W466 AromaticContact CZ2-CD1 3.82Å; W424-W466 AromaticContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CD2 3.81Å; W424-W466 HydrophobicContact CZ2-CE3 4.38Å; W424-W466 AromaticContact CZ2-CG 3.56Å; W424-W466 HydrophobicContact CZ2-CG 3.56Å; W424-W466 AromaticContact NE1-CD2 3.85Å; W424-W466 AromaticContact NE1-CE2 3.87Å; W424-W466 AromaticContact NE1-CE3 3.89Å; W424-W466 AromaticContact NE1-CZ2 3.97Å; W424-W466 AromaticContact NE1-CZ3 4Å; L427-W466 HydrophobicContact CD2-CB 3.78Å; L427-W466 HydrophobicContact CD2-CE3 4.02Å; Q462-W466 HydrophobicContact CG-CD2 4.39Å; Q462-W466 HydrophobicContact CG-CH2 3.73Å; Q462-W466 HydrophobicContact CG-CZ2 3.52Å; Q462-W466 HydrophobicContact CG-CZ3 4.27Å; Q462-W466 PolarHBondContact O-N 3.13Å; I463-W466 HydrophobicContact CG1-CE3 4.1Å; I463-W466 HydrophobicContact CG1-CZ3 4.04Å; I463-W466 PolarHBondContact O-N 2.57Å; I463-W466 VanDerWaalsContact O-N 3.13Å; E464-W466 VanDerWaalsContact C-N 3.32Å; E464-W466 PolarHBondContact O-N 3.48Å; W466-T469 PolarHBondContact O-N 2.89Å; W466-L470 VanDerWaalsContact O-CG 3.3Å; W466-L470 WeakPolarHBondContact O-CG 3.32Å; W466-L470 PolarHBondContact O-N 3.04Å |
| 467 | M | 95.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.1 | -52.3 | 175.3 | -73.6 | 177.8 | 170.6 | 0 | 0 | 110.8 | L427 F452 I463 E464 T469 L470 L471 V483 I505 L507 | L427-M467 HydrophobicContact CD1-CE 3.67Å; L427-M467 HydrophobicContact CD1-CG 3.82Å; F452-M467 HydrophobicContact CB-CE 4.07Å; F452-M467 HydrophobicContact CD1-CE 4.4Å; F452-M467 HydrophobicContact CD2-CE 3.26Å; F452-M467 HydrophobicContact CE2-CE 3.72Å; F452-M467 HydrophobicContact CG-CE 3.66Å; F452-M467 HydrophobicContact CZ-CE 4.47Å; I463-M467 HydrophobicContact CG2-CE 3.69Å; I463-M467 HydrophobicContact CG2-CG 4.29Å; I463-M467 HydrophobicContact CG2-SD 4.13Å; I463-M467 WeakPolarHBondContact O-CG 3.45Å; I463-M467 PolarHBondContact O-N 2.73Å; E464-M467 PolarHBondContact O-N 2.61Å; M467-T469 VanDerWaalsContact C-N 3.29Å; M467-T469 PolarHBondContact O-N 3.27Å; M467-L470 WeakPolarHBondContact O-CB 3.38Å; M467-L470 PolarHBondContact O-N 3.18Å; M467-L471 HydrophobicContact CB-CD1 4.13Å; M467-L471 WeakPolarHBondContact O-CB 3.48Å; M467-L471 WeakPolarHBondContact O-CD1 3.37Å; M467-L471 VanDerWaalsContact O-CG 3.26Å; M467-L471 WeakPolarHBondContact O-CG 3.39Å; M467-L471 PolarHBondContact O-N 2.94Å; M467-V483 HydrophobicContact CB-CG2 4.14Å; M467-V483 HydrophobicContact SD-CG1 4.38Å; M467-I505 HydrophobicContact CE-CD1 4.06Å; M467-I505 HydrophobicContact CE-CG2 3.9Å; M467-I505 HydrophobicContact CG-CD1 4.38Å; M467-I505 HydrophobicContact SD-CD1 3.96Å; M467-I505 HydrophobicContact SD-CG2 4.07Å; M467-L507 HydrophobicContact SD-CD2 3.96Å |
| 468 | S | 92.1 | Very high | 86.4 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 43% | 0.427 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.7 | -39 | 179.5 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | E464 L471 C472 | E464-S468 PolarHBondContact O-N 3.46Å; E464-S468 PolarHBondContact O-OG 3.35Å; S468-L471 PolarHBondContact O-N 2.6Å; S468-C472 WeakPolarHBondContact O-CB 3.37Å; S468-C472 PolarHBondContact O-N 2.98Å |
| 469 | T | 91.2 | Very high | 85.5 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 36% | 0.356 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 175.4 | -49.4 | 0 | 0 | 0 | 0 | 112.8 | M388 R465 W466 M467 | M388-T469 HydrophobicContact CE-CG2 3.75Å; M388-T469 HydrophobicContact CG-CG2 3.83Å; M388-T469 HydrophobicContact SD-CG2 3.63Å; R465-T469 PolarHBondContact O-N 3.47Å; R465-T469 PolarHBondContact O-OG1 2.99Å; W466-T469 PolarHBondContact O-N 2.89Å; M467-T469 VanDerWaalsContact C-N 3.29Å; M467-T469 PolarHBondContact O-N 3.27Å |
| 470 | L | 93.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 175.9 | -71.3 | 167.5 | 0 | 0 | 0 | 112.4 | I381 A384 M385 M388 W424 L427 C431 W466 M467 | I381-L470 HydrophobicContact CD1-CB 3.97Å; I381-L470 HydrophobicContact CD1-CD2 4.01Å; I381-L470 WeakPolarHBondContact CD1-O 3.47Å; I381-L470 HydrophobicContact CG2-CD2 4.23Å; A384-L470 HydrophobicContact CB-CD2 4.04Å; M385-L470 HydrophobicContact CG-CD2 3.96Å; M388-L470 HydrophobicContact CE-CD2 3.73Å; M388-L470 HydrophobicContact CE-CG 3.92Å; W424-L470 HydrophobicContact CH2-CD1 4.17Å; W424-L470 HydrophobicContact CH2-CD2 4.46Å; W424-L470 HydrophobicContact CH2-CG 4.43Å; W424-L470 HydrophobicContact CZ3-CD1 4.01Å; W424-L470 HydrophobicContact CZ3-CD2 4.2Å; W424-L470 HydrophobicContact CZ3-CG 4.47Å; L427-L470 HydrophobicContact CD2-CD1 4.16Å; L427-L470 HydrophobicContact CG-CD1 3.87Å; C431-L470 HydrophobicContact CB-CB 3.88Å; C431-L470 HydrophobicContact CB-CD1 4.11Å; C431-L470 VanDerWaalsContact SG-CD1 3.54Å; W466-L470 VanDerWaalsContact O-CG 3.3Å; W466-L470 WeakPolarHBondContact O-CG 3.32Å; W466-L470 PolarHBondContact O-N 3.04Å; M467-L470 WeakPolarHBondContact O-CB 3.38Å; M467-L470 PolarHBondContact O-N 3.18Å |
| 471 | L | 91.6 | Very high | 85.1 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -81.6 | -37.1 | -173.6 | -67 | 159.8 | 0 | 0 | 0 | 112.1 | C431 H435 M467 S468 L473 L474 G475 D482 V483 I505 | C431-L471 HydrophobicContact CB-CD2 3.89Å; C431-L471 HydrophobicContact CB-CG 4.04Å; C431-L471 WeakPolarHBondContact O-CD2 3.1Å; H435-L471 HydrophobicContact CB-CD2 3.81Å; M467-L471 HydrophobicContact CB-CD1 4.13Å; M467-L471 WeakPolarHBondContact O-CB 3.48Å; M467-L471 WeakPolarHBondContact O-CD1 3.37Å; M467-L471 VanDerWaalsContact O-CG 3.26Å; M467-L471 WeakPolarHBondContact O-CG 3.39Å; M467-L471 PolarHBondContact O-N 2.94Å; S468-L471 PolarHBondContact O-N 2.6Å; L471-L473 PolarHBondContact O-N 2.71Å; L471-L473 VanDerWaalsContact O-N 3.17Å; L471-L474 HydrophobicContact CD2-CD1 4.36Å; L471-L474 WeakPolarHBondContact O-CB 3Å; L471-L474 PolarHBondContact O-N 3.45Å; L471-G475 PolarHBondContact O-N 3.44Å; L471-D482 HydrophobicContact CD1-CB 4.23Å; L471-V483 HydrophobicContact CD1-CG2 3.37Å; L471-I505 HydrophobicContact CD1-CD1 4.29Å |
| 472 | C | 87.1 | Confident | 85 | Confident | 95 Ų | 95 | 54.9 Ų | 54.9 | 64% | 0.642 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -54.2 | -36.8 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 113.3 | S468 L474 G475 | S468-C472 WeakPolarHBondContact O-CB 3.37Å; S468-C472 PolarHBondContact O-N 2.98Å; C472-L474 VanDerWaalsContact C-N 3.35Å; C472-G475 PolarHBondContact O-N 3.2Å |
| 473 | L | 81.6 | Confident | 85 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.8 | 177.9 | -60.3 | -161.1 | 0 | 0 | 0 | 114.5 | I380 A384 L471 | I380-L473 VanDerWaalsContact CG2-C 3.49Å; I380-L473 HydrophobicContact CG2-CB 3.61Å; I380-L473 WeakPolarHBondContact CG2-O 3.49Å; A384-L473 HydrophobicContact CB-CD1 3.82Å; A384-L473 HydrophobicContact CB-CG 4.29Å; L471-L473 PolarHBondContact O-N 2.71Å; L471-L473 VanDerWaalsContact O-N 3.17Å |
| 474 | L | 83.4 | Confident | 85 | Confident | 42 Ų | 42 | 51.2 Ų | 51.2 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -32.4 | 172.3 | -65 | 171.3 | 0 | 0 | 0 | 111.2 | I380 I381 H435 L471 C472 | I380-L474 HydrophobicContact CB-CD2 4.11Å; I380-L474 HydrophobicContact CD1-CD2 4.28Å; I380-L474 HydrophobicContact CG2-CD2 3.86Å; I380-L474 HydrophobicContact CG2-CG 4.36Å; I381-L474 HydrophobicContact CD1-CD1 4.17Å; I381-L474 HydrophobicContact CD1-CG 4.44Å; I381-L474 HydrophobicContact CG1-CD2 4.33Å; H435-L474 HydrophobicContact CB-CD1 3.89Å; L471-L474 HydrophobicContact CD2-CD1 4.36Å; L471-L474 WeakPolarHBondContact O-CB 3Å; L471-L474 PolarHBondContact O-N 3.45Å; C472-L474 VanDerWaalsContact C-N 3.35Å |
| 475 | G | 71.9 | Confident | 85 | Confident | 34 Ų | 34 | 50 Ų | 50 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | trans | 78.8 | 146.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | H435 L471 C472 | H435-G475 PolarHBondContact CE1-O 3.22Å; H435-G475 PolarHBondContact NE2-O 3.46Å; L471-G475 PolarHBondContact O-N 3.44Å; C472-G475 PolarHBondContact O-N 3.2Å | ||
| 476 | S | 64.6 | Low | 85.1 | Confident | 76 Ų | 76 | 41.8 Ų | 41.8 | 53% | 0.531 | 28% | 0.277 | S | S | . | . | trans | -103.1 | 88 | -171.4 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | D482 | S476-D482 WeakPolarHBondContact CB-OD2 3.16Å; S476-D482 PolarHBondContact OG-OD2 3.42Å | ||
| 477 | A | 58.2 | Low | 85 | Confident | 93 Ų | 93 | 40.7 Ų | 40.7 | 77% | 0.769 | 27% | 0.273 | S | S | * | . | trans | -80.7 | -21.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 478 | S | 62.3 | Low | 84.7 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -93.9 | -4.6 | -172.7 | 56.3 | 0 | 0 | 0 | 0 | 116.1 | Q439 F480 | Q439-S478 PolarHBondContact NE2-OG 2.81Å; Q439-S478 VanDerWaalsContact OE1-N 3.12Å; Q439-S478 PolarHBondContact OE1-OG 3Å; S478-F480 PolarHBondContact O-N 3.12Å; S478-F480 VanDerWaalsContact O-N 3.1Å |
| 479 | G | 71.9 | Confident | 84.3 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 78% | 0.784 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 65.8 | 7.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 480 | F | 84.9 | Confident | 84.1 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -88.7 | 162.9 | 173.2 | -59.7 | -48.2 | 0 | 0 | 0 | 112 | L438 D443 S478 D482 P502 | L438-F480 HydrophobicContact CD1-CB 3.87Å; L438-F480 HydrophobicContact CD1-CD2 3.85Å; L438-F480 HydrophobicContact CD1-CG 4.18Å; L438-F480 HydrophobicContact CD2-CB 4.04Å; L438-F480 HydrophobicContact CG-CB 4.18Å; L438-F480 HydrophobicContact CG-CD2 4.26Å; D443-F480 HydrophobicContact CB-CZ 4.38Å; S478-F480 PolarHBondContact O-N 3.12Å; S478-F480 VanDerWaalsContact O-N 3.1Å; F480-D482 PolarHBondContact O-N 3.49Å; F480-P502 HydrophobicContact CD1-CB 4.27Å; F480-P502 HydrophobicContact CD1-CG 4.25Å; F480-P502 HydrophobicContact CD2-CB 3.97Å; F480-P502 HydrophobicContact CD2-CG 4.31Å; F480-P502 HydrophobicContact CE1-CB 4.43Å; F480-P502 HydrophobicContact CE1-CG 3.94Å; F480-P502 HydrophobicContact CE2-CB 4.13Å; F480-P502 HydrophobicContact CE2-CG 4Å; F480-P502 HydrophobicContact CG-CB 4.08Å; F480-P502 HydrophobicContact CG-CG 4.47Å; F480-P502 HydrophobicContact CZ-CB 4.39Å; F480-P502 HydrophobicContact CZ-CG 3.84Å |
| 481 | E | 90.5 | Very high | 83.8 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 112.4 | 177.2 | -60.2 | -170.7 | -110.7 | 0 | 0 | 110.6 | V483 V484 R498 G504 | E481-V483 VanDerWaalsContact C-N 3.28Å; E481-V483 PolarHBondContact O-N 3.12Å; E481-V484 HydrophobicContact CB-CG2 3.9Å; E481-V484 HydrophobicContact CG-CG2 4.49Å; E481-R498 VanDerWaalsContact OE1-CG 3.31Å; E481-R498 WeakPolarHBondContact OE1-CG 3.32Å; E481-R498 IonicContact OE1-CZ 3.21Å; E481-R498 IonicContact OE1-NE 3.7Å; E481-R498 PolarHBondContact OE1-NE 3.29Å; E481-R498 IonicContact OE2-CZ 3.7Å; E481-R498 VanDerWaalsContact OE2-CZ 3.24Å; E481-R498 IonicContact OE2-NE 2.94Å; E481-R498 PolarHBondContact OE2-NE 3.33Å; E481-R498 IonicContact OE2-NH2 3.82Å; E481-R498 PolarHBondContact OE2-NH2 2.94Å; E481-G504 PolarHBondContact O-N 3.29Å |
| 482 | D | 91.3 | Very high | 83.6 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | -33 | 176 | -77.2 | -70.8 | 0 | 0 | 0 | 112.4 | H435 L471 S476 F480 G504 I505 | H435-D482 IonicContact CE1-OD1 3.06Å; H435-D482 IonicContact CG-OD1 2.79Å; H435-D482 IonicContact ND1-OD1 3.55Å; H435-D482 PolarHBondContact ND1-OD1 3.3Å; L471-D482 HydrophobicContact CD1-CB 4.23Å; S476-D482 WeakPolarHBondContact CB-OD2 3.16Å; S476-D482 PolarHBondContact OG-OD2 3.42Å; F480-D482 PolarHBondContact O-N 3.49Å; D482-G504 CarbonylContact O-C 3.52Å; D482-G504 WeakPolarHBondContact O-CA 3.32Å; D482-I505 PolarHBondContact O-N 2.97Å |
| 483 | V | 94.8 | Very high | 83.7 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 17% | 0.17 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131.3 | 174.6 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | M467 L471 E481 T485 I505 | M467-V483 HydrophobicContact CB-CG2 4.14Å; M467-V483 HydrophobicContact SD-CG1 4.38Å; L471-V483 HydrophobicContact CD1-CG2 3.37Å; E481-V483 VanDerWaalsContact C-N 3.28Å; E481-V483 PolarHBondContact O-N 3.12Å; V483-T485 HydrophobicContact CG1-CG2 4.17Å; V483-I505 CarbonylContact C-O 3.56Å; V483-I505 WeakPolarHBondContact CA-O 3.21Å; V483-I505 HydrophobicContact CG2-CB 4.49Å |
| 484 | V | 95.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 121.9 | 166.5 | 172.1 | 0 | 0 | 0 | 0 | 108.5 | E481 I495 V503 I505 L506 L507 | E481-V484 HydrophobicContact CB-CG2 3.9Å; E481-V484 HydrophobicContact CG-CG2 4.49Å; V484-I495 HydrophobicContact CG1-CD1 3.86Å; V484-I495 HydrophobicContact CG1-CG2 4.39Å; V484-V503 HydrophobicContact CB-CG1 4.01Å; V484-V503 HydrophobicContact CG2-CB 4.44Å; V484-V503 HydrophobicContact CG2-CG1 3.61Å; V484-V503 HydrophobicContact CG2-CG2 3.89Å; V484-I505 PolarHBondContact N-O 2.98Å; V484-L506 HydrophobicContact CG1-CD1 4.31Å; V484-L506 WeakPolarHBondContact O-CA 3.45Å; V484-L507 PolarHBondContact O-N 2.8Å |
| 485 | T | 96.3 | Very high | 84.6 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 15% | 0.153 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140.5 | 174.9 | 45.9 | 0 | 0 | 0 | 0 | 112.4 | E464 V483 W487 I495 L507 | E464-T485 HydrophobicContact CB-CG2 4.39Å; E464-T485 VanDerWaalsContact CD-CG2 3.42Å; E464-T485 HydrophobicContact CG-CG2 3.93Å; E464-T485 WeakPolarHBondContact OE1-CB 3.09Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.2Å; E464-T485 PolarHBondContact OE1-OG1 3.35Å; V483-T485 HydrophobicContact CG1-CG2 4.17Å; T485-W487 HydrophobicContact CG2-CZ2 4.38Å; T485-I495 WeakPolarHBondContact O-CD1 3.35Å; T485-L507 WeakPolarHBondContact CA-O 3.44Å; T485-L507 HydrophobicContact CG2-CB 3.97Å; T485-L507 HydrophobicContact CG2-CD2 3.87Å; T485-L507 HydrophobicContact CG2-CG 4.08Å |
| 486 | H | 95.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 110.7 | 178.3 | 178.5 | 40.1 | 0 | 0 | 0 | 110 | D488 I495 L506 L507 T508 L512 | H486-D488 PolarHBondContact CE1-O 3.14Å; H486-D488 PolarHBondContact ND1-O 2.91Å; H486-I495 HydrophobicContact CB-CD1 4.24Å; H486-I495 HydrophobicContact CB-CG1 3.99Å; H486-I495 HydrophobicContact CB-CG2 4.08Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; H486-L507 PolarHBondContact N-O 3.24Å; H486-T508 WeakPolarHBondContact O-CB 3.47Å; H486-T508 PolarHBondContact O-OG1 3.45Å; H486-L512 VanDerWaalsContact O-CD1 3.23Å; H486-L512 WeakPolarHBondContact O-CD1 3.42Å |
| 487 | W | 93.1 | Very high | 86.8 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | trans | -129.2 | -7.6 | -175.1 | -57.5 | 123.6 | 0 | 0 | 0 | 115 | C454 Q457 G460 T485 L507 T508 L512 | C454-W487 VanDerWaalsContact SG-CH2 3.51Å; Q457-W487 HydrophobicContact CB-CB 4.37Å; Q457-W487 HydrophobicContact CB-CD2 4.05Å; Q457-W487 HydrophobicContact CB-CE3 4.03Å; Q457-W487 HydrophobicContact CB-CG 4.21Å; Q457-W487 HydrophobicContact CG-CB 3.92Å; Q457-W487 HydrophobicContact CG-CD2 3.85Å; Q457-W487 HydrophobicContact CG-CE3 4.36Å; Q457-W487 HydrophobicContact CG-CG 3.63Å; G460-W487 VanDerWaalsContact CA-CH2 3.49Å; T485-W487 HydrophobicContact CG2-CZ2 4.38Å; W487-L507 HydrophobicContact CH2-CD1 4.15Å; W487-L507 HydrophobicContact CH2-CG 3.98Å; W487-L507 HydrophobicContact CZ2-CD1 4.37Å; W487-L507 HydrophobicContact CZ2-CD2 4.15Å; W487-L507 HydrophobicContact CZ2-CG 3.75Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; W487-L512 VanDerWaalsContact C-CD1 3.45Å; W487-L512 VanDerWaalsContact CA-CD1 3.42Å | ||
| 488 | D | 88.3 | Confident | 88.4 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | trans | -132.7 | 137 | -178.7 | -179 | 8.7 | 0 | 0 | 0 | 110.5 | H486 T490 Q491 | H486-D488 PolarHBondContact CE1-O 3.14Å; H486-D488 PolarHBondContact ND1-O 2.91Å; D488-T490 VanDerWaalsContact C-N 3.32Å; D488-T490 VanDerWaalsContact CG-OG1 3.26Å; D488-T490 PolarHBondContact OD1-N 3.31Å; D488-T490 PolarHBondContact OD2-OG1 2.89Å; D488-Q491 HydrophobicContact CB-CG 4.13Å; D488-Q491 PolarHBondContact O-N 3.06Å | ||
| 489 | K | 83.9 | Confident | 89.9 | Confident | 106 Ų | 106 | 52 Ų | 52 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -71 | -25.6 | -179.9 | -63.6 | -175.6 | 175.1 | 166.8 | 0 | 112.4 | Q491 L492 D511 L512 | K489-Q491 VanDerWaalsContact C-N 3.25Å; K489-Q491 PolarHBondContact O-N 2.98Å; K489-L492 PolarHBondContact O-N 3.38Å; K489-D511 WeakPolarHBondContact CE-OD2 3.42Å; K489-D511 IonicContact NZ-OD2 2.75Å; K489-D511 PolarHBondContact NZ-OD2 2.97Å; K489-L512 HydrophobicContact CB-CD2 4.5Å; K489-L512 HydrophobicContact CD-CD2 4.2Å; K489-L512 HydrophobicContact CG-CD2 3.38Å |
| 490 | T | 85.9 | Confident | 90.8 | Very high | 110 Ų | 110 | 54.7 Ų | 54.7 | 68% | 0.675 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -34.3 | 173.9 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | D488 L492 | D488-T490 VanDerWaalsContact C-N 3.32Å; D488-T490 VanDerWaalsContact CG-OG1 3.26Å; D488-T490 PolarHBondContact OD1-N 3.31Å; D488-T490 PolarHBondContact OD2-OG1 2.89Å; T490-L492 PolarHBondContact O-N 3.41Å |
| 491 | Q | 87.6 | Confident | 91 | Very high | 92 Ų | 92 | 59.7 Ų | 59.7 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 2.4 | -173.9 | -60.8 | 179.6 | -8.5 | 0 | 0 | 113.9 | D488 K489 V493 D494 I495 | D488-Q491 HydrophobicContact CB-CG 4.13Å; D488-Q491 PolarHBondContact O-N 3.06Å; K489-Q491 VanDerWaalsContact C-N 3.25Å; K489-Q491 PolarHBondContact O-N 2.98Å; Q491-V493 VanDerWaalsContact C-N 3.25Å; Q491-V493 PolarHBondContact O-N 3.07Å; Q491-V493 VanDerWaalsContact O-N 3.14Å; Q491-D494 PolarHBondContact O-N 3.28Å; Q491-I495 PolarHBondContact O-N 2.84Å; Q491-I495 VanDerWaalsContact O-N 3.08Å |
| 492 | L | 87.7 | Confident | 91.2 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -47.7 | -46.5 | -176.3 | -179.9 | 75.2 | 0 | 0 | 0 | 112.7 | K489 T490 D494 I495 V496 Q515 L516 | K489-L492 PolarHBondContact O-N 3.38Å; T490-L492 PolarHBondContact O-N 3.41Å; L492-D494 VanDerWaalsContact C-N 3.32Å; L492-D494 PolarHBondContact O-N 2.93Å; L492-I495 PolarHBondContact O-N 3.33Å; L492-V496 HydrophobicContact CD1-CG2 4.27Å; L492-V496 HydrophobicContact CG-CG2 4.27Å; L492-V496 WeakPolarHBondContact O-CB 3.42Å; L492-V496 VanDerWaalsContact O-CG2 3.22Å; L492-V496 WeakPolarHBondContact O-CG2 3.38Å; L492-V496 PolarHBondContact O-N 3.39Å; L492-Q515 HydrophobicContact CD1-CG 4Å; L492-L516 HydrophobicContact CD1-CD2 3.74Å; L492-L516 HydrophobicContact CD1-CG 4.37Å |
| 493 | V | 88.7 | Confident | 91.3 | Very high | 118 Ų | 118 | 55.5 Ų | 55.5 | 72% | 0.715 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.1 | -36.9 | -176.5 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | Q491 R497 | Q491-V493 VanDerWaalsContact C-N 3.25Å; Q491-V493 PolarHBondContact O-N 3.07Å; Q491-V493 VanDerWaalsContact O-N 3.14Å; V493-R497 VanDerWaalsContact O-CB 3.32Å; V493-R497 WeakPolarHBondContact O-CB 3.45Å; V493-R497 PolarHBondContact O-N 3.5Å |
| 494 | D | 91.8 | Very high | 91.3 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.9 | -42.7 | 176.9 | -175.2 | 64.2 | 0 | 0 | 0 | 112.2 | Q491 L492 V496 R497 R498 | Q491-D494 PolarHBondContact O-N 3.28Å; L492-D494 VanDerWaalsContact C-N 3.32Å; L492-D494 PolarHBondContact O-N 2.93Å; D494-V496 PolarHBondContact O-N 2.63Å; D494-R497 WeakPolarHBondContact O-CA 3.38Å; D494-R497 VanDerWaalsContact O-CB 3.32Å; D494-R497 WeakPolarHBondContact O-CB 3.28Å; D494-R497 PolarHBondContact O-N 2.95Å; D494-R497 VanDerWaalsContact O-N 3.11Å; D494-R497 IonicContact OD1-CZ 3.02Å; D494-R497 IonicContact OD1-NE 2.75Å; D494-R497 PolarHBondContact OD1-NE 3.09Å; D494-R497 IonicContact OD1-NH2 2.92Å; D494-R497 PolarHBondContact OD1-NH2 3.43Å; D494-R497 IonicContact OD2-NH2 2.81Å; D494-R498 WeakPolarHBondContact O-CG 3.33Å; D494-R498 PolarHBondContact O-N 2.84Å; D494-R498 WeakPolarHBondContact OD2-CD 3.4Å; D494-R498 IonicContact OD2-NH1 3.51Å; D494-R498 PolarHBondContact OD2-NH1 3.04Å |
| 495 | I | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 177.1 | -59.3 | -58.4 | 0 | 0 | 0 | 110.6 | V484 T485 H486 Q491 L492 R497 R498 L499 L516 | V484-I495 HydrophobicContact CG1-CD1 3.86Å; V484-I495 HydrophobicContact CG1-CG2 4.39Å; T485-I495 WeakPolarHBondContact O-CD1 3.35Å; H486-I495 HydrophobicContact CB-CD1 4.24Å; H486-I495 HydrophobicContact CB-CG1 3.99Å; H486-I495 HydrophobicContact CB-CG2 4.08Å; Q491-I495 PolarHBondContact O-N 2.84Å; Q491-I495 VanDerWaalsContact O-N 3.08Å; L492-I495 PolarHBondContact O-N 3.33Å; I495-R497 VanDerWaalsContact C-N 3.29Å; I495-R497 PolarHBondContact O-N 2.89Å; I495-R498 PolarHBondContact O-N 3.04Å; I495-L499 HydrophobicContact CG2-CD1 3.85Å; I495-L499 HydrophobicContact CG2-CG 4.26Å; I495-L499 WeakPolarHBondContact O-CB 3.21Å; I495-L499 VanDerWaalsContact O-CG 3.28Å; I495-L499 WeakPolarHBondContact O-CG 3.46Å; I495-L499 PolarHBondContact O-N 2.96Å; I495-L516 HydrophobicContact CG2-CD1 4.05Å; I495-L516 HydrophobicContact CG2-CD2 4Å |
| 496 | V | 91.5 | Very high | 91.4 | Very high | 31 Ų | 31 | 53 Ų | 53 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 171.6 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | L492 D494 K500 L516 I525 | L492-V496 HydrophobicContact CD1-CG2 4.27Å; L492-V496 HydrophobicContact CG-CG2 4.27Å; L492-V496 WeakPolarHBondContact O-CB 3.42Å; L492-V496 VanDerWaalsContact O-CG2 3.22Å; L492-V496 WeakPolarHBondContact O-CG2 3.38Å; L492-V496 PolarHBondContact O-N 3.39Å; D494-V496 PolarHBondContact O-N 2.63Å; V496-K500 WeakPolarHBondContact O-CG 3.27Å; V496-K500 PolarHBondContact O-N 2.91Å; V496-L516 HydrophobicContact CG2-CD2 3.86Å; V496-I525 HydrophobicContact CG1-CG2 4.13Å; V496-I525 HydrophobicContact CG2-CD1 4.22Å |
| 497 | R | 90.5 | Very high | 91.6 | Very high | 150 Ų | 150 | 53 Ų | 53 | 57% | 0.566 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.8 | -41.6 | 175 | 179 | -166.2 | 70.2 | 80.5 | 0.8 | 112 | V493 D494 I495 | V493-R497 VanDerWaalsContact O-CB 3.32Å; V493-R497 WeakPolarHBondContact O-CB 3.45Å; V493-R497 PolarHBondContact O-N 3.5Å; D494-R497 WeakPolarHBondContact O-CA 3.38Å; D494-R497 VanDerWaalsContact O-CB 3.32Å; D494-R497 WeakPolarHBondContact O-CB 3.28Å; D494-R497 PolarHBondContact O-N 2.95Å; D494-R497 VanDerWaalsContact O-N 3.11Å; D494-R497 IonicContact OD1-CZ 3.02Å; D494-R497 IonicContact OD1-NE 2.75Å; D494-R497 PolarHBondContact OD1-NE 3.09Å; D494-R497 IonicContact OD1-NH2 2.92Å; D494-R497 PolarHBondContact OD1-NH2 3.43Å; D494-R497 IonicContact OD2-NH2 2.81Å; I495-R497 VanDerWaalsContact C-N 3.29Å; I495-R497 PolarHBondContact O-N 2.89Å |
| 498 | R | 92.3 | Very high | 91.8 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 19% | 0.185 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.4 | -44.7 | 179.4 | -70.4 | 161.7 | 70.6 | -170.3 | 1.2 | 111.8 | E481 D494 I495 K500 K501 | E481-R498 VanDerWaalsContact OE1-CG 3.31Å; E481-R498 WeakPolarHBondContact OE1-CG 3.32Å; E481-R498 IonicContact OE1-CZ 3.21Å; E481-R498 IonicContact OE1-NE 3.7Å; E481-R498 PolarHBondContact OE1-NE 3.29Å; E481-R498 IonicContact OE2-CZ 3.7Å; E481-R498 VanDerWaalsContact OE2-CZ 3.24Å; E481-R498 IonicContact OE2-NE 2.94Å; E481-R498 PolarHBondContact OE2-NE 3.33Å; E481-R498 IonicContact OE2-NH2 3.82Å; E481-R498 PolarHBondContact OE2-NH2 2.94Å; D494-R498 WeakPolarHBondContact O-CG 3.33Å; D494-R498 PolarHBondContact O-N 2.84Å; D494-R498 WeakPolarHBondContact OD2-CD 3.4Å; D494-R498 IonicContact OD2-NH1 3.51Å; D494-R498 PolarHBondContact OD2-NH1 3.04Å; I495-R498 PolarHBondContact O-N 3.04Å; R498-K500 PolarHBondContact O-N 3.38Å; R498-K500 VanDerWaalsContact O-N 3.07Å; R498-K501 PolarHBondContact O-N 2.84Å; R498-K501 VanDerWaalsContact O-N 3.08Å |
| 499 | L | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -5 | 178.1 | -64.7 | 176.5 | 0 | 0 | 0 | 115 | G447 I495 K501 V503 L506 L516 I525 F526 | G447-L499 WeakPolarHBondContact CA-O 3.48Å; G447-L499 PolarHBondContact N-O 3.33Å; I495-L499 HydrophobicContact CG2-CD1 3.85Å; I495-L499 HydrophobicContact CG2-CG 4.26Å; I495-L499 WeakPolarHBondContact O-CB 3.21Å; I495-L499 VanDerWaalsContact O-CG 3.28Å; I495-L499 WeakPolarHBondContact O-CG 3.46Å; I495-L499 PolarHBondContact O-N 2.96Å; L499-K501 PolarHBondContact O-N 3.46Å; L499-V503 HydrophobicContact CD2-CB 4.42Å; L499-V503 HydrophobicContact CD2-CG2 4.23Å; L499-L506 HydrophobicContact CD1-CD1 4.39Å; L499-L506 HydrophobicContact CD1-CD2 4.05Å; L499-L506 HydrophobicContact CD2-CD1 4.45Å; L499-L516 HydrophobicContact CD1-CD1 4.11Å; L499-L516 HydrophobicContact CD1-CD2 4.36Å; L499-I525 HydrophobicContact CB-CB 3.95Å; L499-I525 HydrophobicContact CB-CG2 4.1Å; L499-F526 HydrophobicContact CD1-CZ 4.43Å |
| 500 | K | 90.6 | Very high | 92.6 | Very high | 133 Ų | 133 | 43.8 Ų | 43.8 | 58% | 0.578 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15.2 | 167.8 | -76.1 | 174.1 | -177.7 | -176.5 | 0 | 113.5 | R446 V496 R498 I525 | R446-K500 WeakPolarHBondContact CB-O 3.43Å; V496-K500 WeakPolarHBondContact O-CG 3.27Å; V496-K500 PolarHBondContact O-N 2.91Å; R498-K500 PolarHBondContact O-N 3.38Å; R498-K500 VanDerWaalsContact O-N 3.07Å; K500-I525 HydrophobicContact CG-CG2 4.26Å |
| 501 | K | 90.6 | Very high | 92.8 | Very high | 137 Ų | 137 | 40.2 Ų | 40.2 | 60% | 0.596 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -102.5 | 169.7 | 172.4 | -71.8 | -168.3 | 174.5 | -167.9 | 0 | 111 | G447 R498 L499 | G447-K501 PolarHBondContact N-O 3.47Å; G447-K501 VanDerWaalsContact N-O 3.12Å; R498-K501 PolarHBondContact O-N 2.84Å; R498-K501 VanDerWaalsContact O-N 3.08Å; L499-K501 PolarHBondContact O-N 3.46Å |
| 502 | P | 93.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 137.5 | 166.1 | -19.4 | 33.5 | 0 | 0 | 0 | 110.7 | L438 R441 P442 G445 F480 | L438-P502 HydrophobicContact CD1-CB 3.83Å; R441-P502 HydrophobicContact CB-CB 4.22Å; R441-P502 HydrophobicContact CB-CG 4.47Å; P442-P502 WeakPolarHBondContact O-CG 3.3Å; G445-P502 WeakPolarHBondContact O-CD 3.48Å; F480-P502 HydrophobicContact CD1-CB 4.27Å; F480-P502 HydrophobicContact CD1-CG 4.25Å; F480-P502 HydrophobicContact CD2-CB 3.97Å; F480-P502 HydrophobicContact CD2-CG 4.31Å; F480-P502 HydrophobicContact CE1-CB 4.43Å; F480-P502 HydrophobicContact CE1-CG 3.94Å; F480-P502 HydrophobicContact CE2-CB 4.13Å; F480-P502 HydrophobicContact CE2-CG 4Å; F480-P502 HydrophobicContact CG-CB 4.08Å; F480-P502 HydrophobicContact CG-CG 4.47Å; F480-P502 HydrophobicContact CZ-CB 4.39Å; F480-P502 HydrophobicContact CZ-CG 3.84Å |
| 503 | V | 93.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.9 | 176.7 | 168.1 | 0 | 0 | 0 | 0 | 108.9 | G447 P448 T449 V484 L499 | G447-V503 PolarHBondContact O-N 2.77Å; G447-V503 VanDerWaalsContact O-N 3.14Å; P448-V503 CarbonylContact C-O 3.57Å; P448-V503 VanDerWaalsContact CA-O 3.3Å; P448-V503 WeakPolarHBondContact CA-O 3.23Å; P448-V503 HydrophobicContact CB-CG1 4.43Å; T449-V503 PolarHBondContact N-O 2.95Å; T449-V503 PolarHBondContact OG1-O 3.11Å; V484-V503 HydrophobicContact CB-CG1 4.01Å; V484-V503 HydrophobicContact CG2-CB 4.44Å; V484-V503 HydrophobicContact CG2-CG1 3.61Å; V484-V503 HydrophobicContact CG2-CG2 3.89Å; L499-V503 HydrophobicContact CD2-CB 4.42Å; L499-V503 HydrophobicContact CD2-CG2 4.23Å |
| 504 | G | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -73.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T449 C450 E481 D482 | T449-G504 WeakPolarHBondContact CA-O 3.38Å; T449-G504 WeakPolarHBondContact CB-O 3.49Å; T449-G504 PolarHBondContact N-O 2.77Å; C450-G504 PolarHBondContact N-O 2.85Å; E481-G504 PolarHBondContact O-N 3.29Å; D482-G504 CarbonylContact O-C 3.52Å; D482-G504 WeakPolarHBondContact O-CA 3.32Å |
| 505 | I | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.2 | -176.1 | -51.6 | 176.7 | 0 | 0 | 0 | 110.5 | V430 C450 F452 M467 L471 D482 V483 V484 | V430-I505 HydrophobicContact CG1-CD1 4.14Å; C450-I505 HydrophobicContact CB-CG1 4.31Å; C450-I505 CarbonylContact O-C 3.53Å; C450-I505 WeakPolarHBondContact O-CA 3.39Å; F452-I505 HydrophobicContact CB-CG2 4.03Å; M467-I505 HydrophobicContact CE-CD1 4.06Å; M467-I505 HydrophobicContact CE-CG2 3.9Å; M467-I505 HydrophobicContact CG-CD1 4.38Å; M467-I505 HydrophobicContact SD-CD1 3.96Å; M467-I505 HydrophobicContact SD-CG2 4.07Å; L471-I505 HydrophobicContact CD1-CD1 4.29Å; D482-I505 PolarHBondContact O-N 2.97Å; V483-I505 CarbonylContact C-O 3.56Å; V483-I505 WeakPolarHBondContact CA-O 3.21Å; V483-I505 HydrophobicContact CG2-CB 4.49Å; V484-I505 PolarHBondContact N-O 2.98Å |
| 506 | L | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118 | 161.9 | 171.7 | 63.1 | 0 | 0 | 0 | 108.9 | P448 C450 F452 V484 H486 L499 T508 L513 L516 F526 | P448-L506 HydrophobicContact CB-CB 3.74Å; P448-L506 HydrophobicContact CG-CB 3.87Å; P448-L506 HydrophobicContact CG-CD2 4.38Å; C450-L506 PolarHBondContact O-N 3.3Å; F452-L506 PolarHBondContact N-O 3.48Å; V484-L506 HydrophobicContact CG1-CD1 4.31Å; V484-L506 WeakPolarHBondContact O-CA 3.45Å; H486-L506 HydrophobicContact CB-CD1 4.46Å; L499-L506 HydrophobicContact CD1-CD1 4.39Å; L499-L506 HydrophobicContact CD1-CD2 4.05Å; L499-L506 HydrophobicContact CD2-CD1 4.45Å; L506-T508 HydrophobicContact CG-CG2 4.4Å; L506-L513 HydrophobicContact CD2-CD1 4.4Å; L506-L516 HydrophobicContact CD1-CD1 4.45Å; L506-L516 HydrophobicContact CD2-CD1 3.98Å; L506-F526 HydrophobicContact CD2-CE1 3.82Å; L506-F526 HydrophobicContact CD2-CZ 3.91Å |
| 507 | L | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.9 | 179.5 | 168.3 | 66.9 | 0 | 0 | 0 | 110.9 | F452 I463 E464 M467 V484 T485 H486 W487 | F452-L507 HydrophobicContact CB-CB 4.37Å; F452-L507 HydrophobicContact CB-CD1 3.9Å; F452-L507 HydrophobicContact CD1-CD1 3.49Å; F452-L507 VanDerWaalsContact CD1-CD1 3.49Å; F452-L507 HydrophobicContact CE1-CD1 4.35Å; F452-L507 HydrophobicContact CG-CD1 3.94Å; F452-L507 WeakPolarHBondContact O-CA 3.39Å; I463-L507 HydrophobicContact CB-CD2 4.45Å; I463-L507 HydrophobicContact CG2-CD1 4.41Å; I463-L507 HydrophobicContact CG2-CD2 4.22Å; E464-L507 HydrophobicContact CB-CD2 3.93Å; M467-L507 HydrophobicContact SD-CD2 3.96Å; V484-L507 PolarHBondContact O-N 2.8Å; T485-L507 WeakPolarHBondContact CA-O 3.44Å; T485-L507 HydrophobicContact CG2-CB 3.97Å; T485-L507 HydrophobicContact CG2-CD2 3.87Å; T485-L507 HydrophobicContact CG2-CG 4.08Å; H486-L507 PolarHBondContact N-O 3.24Å; W487-L507 HydrophobicContact CH2-CD1 4.15Å; W487-L507 HydrophobicContact CH2-CG 3.98Å; W487-L507 HydrophobicContact CZ2-CD1 4.37Å; W487-L507 HydrophobicContact CZ2-CD2 4.15Å; W487-L507 HydrophobicContact CZ2-CG 3.75Å |
| 508 | T | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | -174.2 | -169.5 | -166.2 | 0 | 0 | 0 | 0 | 113.8 | F452 V453 C454 H486 W487 L506 L512 L513 | F452-T508 PolarHBondContact O-N 3.43Å; V453-T508 WeakPolarHBondContact CA-O 3.48Å; C454-T508 PolarHBondContact N-O 3.05Å; H486-T508 WeakPolarHBondContact O-CB 3.47Å; H486-T508 PolarHBondContact O-OG1 3.45Å; W487-T508 VanDerWaalsContact CZ3-C 3.41Å; L506-T508 HydrophobicContact CG-CG2 4.4Å; T508-L512 VanDerWaalsContact OG1-CB 3.26Å; T508-L512 WeakPolarHBondContact OG1-CB 3.13Å; T508-L513 HydrophobicContact CG2-CB 3.87Å |
| 509 | S | 95.4 | Very high | 92.2 | Very high | 12 Ų | 12 | 29 Ų | 29 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | trans | -102.8 | 169.3 | 172.9 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | D511 L512 L513 | S509-D511 WeakPolarHBondContact CB-OD1 3.47Å; S509-D511 PolarHBondContact OG-OD1 3.45Å; S509-L512 PolarHBondContact O-N 3.3Å; S509-L512 WeakPolarHBondContact OG-CD1 3.23Å; S509-L512 VanDerWaalsContact OG-CG 3.27Å; S509-L512 WeakPolarHBondContact OG-CG 3.48Å; S509-L513 WeakPolarHBondContact O-CB 3.41Å; S509-L513 PolarHBondContact O-N 3.07Å | ||
| 510 | V | 94.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | -176.5 | 172.2 | 0 | 0 | 0 | 0 | 113.1 | V453 L514 M542 L546 D549 L553 | V453-V510 HydrophobicContact CG1-CG2 3.78Å; V510-L514 WeakPolarHBondContact O-CG 3.45Å; V510-L514 PolarHBondContact O-N 2.87Å; V510-M542 HydrophobicContact CG2-CB 4.03Å; V510-M542 HydrophobicContact CG2-CG 4.06Å; V510-M542 HydrophobicContact CG2-SD 3.6Å; V510-L546 HydrophobicContact CB-CD1 4.26Å; V510-D549 HydrophobicContact CG1-CB 4.15Å; V510-L553 HydrophobicContact CB-CD2 4.37Å; V510-L553 HydrophobicContact CG1-CB 4.22Å; V510-L553 HydrophobicContact CG1-CD2 4.03Å; V510-L553 HydrophobicContact CG2-CD2 4.17Å |
| 511 | D | 91.3 | Very high | 89.5 | Confident | 35 Ų | 35 | 29.2 Ų | 29.2 | 19% | 0.187 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.2 | -37.7 | -177.4 | 61.9 | -41.7 | 0 | 0 | 0 | 112.5 | K489 S509 L514 Q515 L546 | K489-D511 WeakPolarHBondContact CE-OD2 3.42Å; K489-D511 IonicContact NZ-OD2 2.75Å; K489-D511 PolarHBondContact NZ-OD2 2.97Å; S509-D511 WeakPolarHBondContact CB-OD1 3.47Å; S509-D511 PolarHBondContact OG-OD1 3.45Å; D511-L514 PolarHBondContact O-N 2.71Å; D511-Q515 WeakPolarHBondContact O-CB 3.32Å; D511-Q515 PolarHBondContact O-N 3.43Å; D511-L546 HydrophobicContact CB-CD1 3.87Å |
| 512 | L | 93.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.7 | -40.2 | 175.2 | -67 | -178.8 | 0 | 0 | 0 | 112 | H486 W487 K489 T508 S509 Q515 L516 | H486-L512 VanDerWaalsContact O-CD1 3.23Å; H486-L512 WeakPolarHBondContact O-CD1 3.42Å; W487-L512 VanDerWaalsContact C-CD1 3.45Å; W487-L512 VanDerWaalsContact CA-CD1 3.42Å; K489-L512 HydrophobicContact CB-CD2 4.5Å; K489-L512 HydrophobicContact CD-CD2 4.2Å; K489-L512 HydrophobicContact CG-CD2 3.38Å; T508-L512 VanDerWaalsContact OG1-CB 3.26Å; T508-L512 WeakPolarHBondContact OG1-CB 3.13Å; S509-L512 PolarHBondContact O-N 3.3Å; S509-L512 WeakPolarHBondContact OG-CD1 3.23Å; S509-L512 VanDerWaalsContact OG-CG 3.27Å; S509-L512 WeakPolarHBondContact OG-CG 3.48Å; L512-Q515 WeakPolarHBondContact O-CB 3.23Å; L512-Q515 PolarHBondContact O-N 3.11Å; L512-L516 PolarHBondContact O-N 2.67Å |
| 513 | L | 94.3 | Very high | 86.2 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 170.8 | -178.3 | 56.8 | 0 | 0 | 0 | 110.9 | I451 V453 L506 T508 S509 Q515 L516 L517 F526 L553 | I451-L513 HydrophobicContact CG2-CD1 4.1Å; I451-L513 HydrophobicContact CG2-CD2 3.76Å; V453-L513 HydrophobicContact CG2-CD2 3.58Å; L506-L513 HydrophobicContact CD2-CD1 4.4Å; T508-L513 HydrophobicContact CG2-CB 3.87Å; S509-L513 WeakPolarHBondContact O-CB 3.41Å; S509-L513 PolarHBondContact O-N 3.07Å; L513-Q515 PolarHBondContact O-N 2.8Å; L513-L516 WeakPolarHBondContact O-CB 3.49Å; L513-L516 PolarHBondContact O-N 2.96Å; L513-L516 VanDerWaalsContact O-N 3.11Å; L513-L517 HydrophobicContact CD1-CD1 4.48Å; L513-L517 HydrophobicContact CD1-CD2 4.19Å; L513-L517 HydrophobicContact CD1-CG 4.1Å; L513-L517 HydrophobicContact CG-CD1 4.16Å; L513-L517 HydrophobicContact CG-CG 4.21Å; L513-L517 VanDerWaalsContact O-CG 3.32Å; L513-L517 WeakPolarHBondContact O-CG 3.31Å; L513-L517 PolarHBondContact O-N 3.4Å; L513-F526 HydrophobicContact CD1-CE1 4.48Å; L513-F526 HydrophobicContact CD1-CZ 4.07Å; L513-L553 HydrophobicContact CD2-CD1 3.73Å; L513-L553 HydrophobicContact CD2-CD2 4.06Å; L513-L553 HydrophobicContact CG-CD1 4.13Å |
| 514 | L | 91.6 | Very high | 85.3 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -38.1 | 175.2 | -80.1 | -176.1 | 0 | 0 | 0 | 112.5 | V510 D511 L517 N518 D549 K552 L553 | V510-L514 WeakPolarHBondContact O-CG 3.45Å; V510-L514 PolarHBondContact O-N 2.87Å; D511-L514 PolarHBondContact O-N 2.71Å; L514-L517 PolarHBondContact O-N 2.87Å; L514-N518 WeakPolarHBondContact O-CB 3.49Å; L514-N518 PolarHBondContact O-N 3.45Å; L514-N518 PolarHBondContact O-ND2 2.7Å; L514-D549 HydrophobicContact CD1-CB 3.75Å; L514-D549 WeakPolarHBondContact CD1-O 3.43Å; L514-K552 HydrophobicContact CD1-CB 4.07Å; L514-K552 HydrophobicContact CD1-CD 4.47Å; L514-K552 HydrophobicContact CD2-CB 4.48Å; L514-L553 HydrophobicContact CD2-CB 4.13Å; L514-L553 HydrophobicContact CD2-CD1 4.28Å; L514-L553 HydrophobicContact CG-CB 4.31Å |
| 515 | Q | 90.2 | Very high | 84.9 | Confident | 45 Ų | 45 | 32.3 Ų | 32.3 | 21% | 0.21 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -49.6 | 174.5 | -169.5 | 172.7 | -14.1 | 0 | 0 | 110.7 | L492 D511 L512 L513 L517 N518 H519 | L492-Q515 HydrophobicContact CD1-CG 4Å; D511-Q515 WeakPolarHBondContact O-CB 3.32Å; D511-Q515 PolarHBondContact O-N 3.43Å; L512-Q515 WeakPolarHBondContact O-CB 3.23Å; L512-Q515 PolarHBondContact O-N 3.11Å; L513-Q515 PolarHBondContact O-N 2.8Å; Q515-L517 PolarHBondContact O-N 3.48Å; Q515-N518 PolarHBondContact O-N 3.38Å; Q515-H519 PolarHBondContact O-CD2 2.97Å; Q515-H519 PolarHBondContact O-N 3.38Å; Q515-H519 VanDerWaalsContact O-N 3.07Å |
| 516 | L | 91.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | 174.3 | -70 | 171.5 | 0 | 0 | 0 | 113 | L492 I495 V496 L499 L506 L512 L513 H519 I525 F526 | L492-L516 HydrophobicContact CD1-CD2 3.74Å; L492-L516 HydrophobicContact CD1-CG 4.37Å; I495-L516 HydrophobicContact CG2-CD1 4.05Å; I495-L516 HydrophobicContact CG2-CD2 4Å; V496-L516 HydrophobicContact CG2-CD2 3.86Å; L499-L516 HydrophobicContact CD1-CD1 4.11Å; L499-L516 HydrophobicContact CD1-CD2 4.36Å; L506-L516 HydrophobicContact CD1-CD1 4.45Å; L506-L516 HydrophobicContact CD2-CD1 3.98Å; L512-L516 PolarHBondContact O-N 2.67Å; L513-L516 WeakPolarHBondContact O-CB 3.49Å; L513-L516 PolarHBondContact O-N 2.96Å; L513-L516 VanDerWaalsContact O-N 3.11Å; L516-H519 PolarHBondContact O-N 3.07Å; L516-I525 HydrophobicContact CB-CD1 4.49Å; L516-I525 HydrophobicContact CD2-CD1 4.33Å; L516-F526 HydrophobicContact CB-CE2 3.95Å; L516-F526 HydrophobicContact CB-CZ 4.06Å; L516-F526 HydrophobicContact CD1-CZ 4.48Å |
| 517 | L | 87.4 | Confident | 83.9 | Confident | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 178.6 | -62.4 | -178.6 | 0 | 0 | 0 | 112 | L513 L514 Q515 H519 N520 F526 L553 M560 | L513-L517 HydrophobicContact CD1-CD1 4.48Å; L513-L517 HydrophobicContact CD1-CD2 4.19Å; L513-L517 HydrophobicContact CD1-CG 4.1Å; L513-L517 HydrophobicContact CG-CD1 4.16Å; L513-L517 HydrophobicContact CG-CG 4.21Å; L513-L517 VanDerWaalsContact O-CG 3.32Å; L513-L517 WeakPolarHBondContact O-CG 3.31Å; L513-L517 PolarHBondContact O-N 3.4Å; L514-L517 PolarHBondContact O-N 2.87Å; Q515-L517 PolarHBondContact O-N 3.48Å; L517-H519 VanDerWaalsContact C-N 3.33Å; L517-H519 PolarHBondContact O-N 2.65Å; L517-N520 WeakPolarHBondContact O-CB 3.26Å; L517-N520 PolarHBondContact O-N 2.54Å; L517-F526 HydrophobicContact CD2-CD2 3.82Å; L517-F526 HydrophobicContact CD2-CE2 3.65Å; L517-F526 HydrophobicContact CD2-CG 4.36Å; L517-F526 HydrophobicContact CD2-CZ 4.03Å; L517-L553 HydrophobicContact CD1-CD1 3.88Å; L517-M560 HydrophobicContact CB-SD 4.36Å; L517-M560 HydrophobicContact CD1-SD 4.18Å; L517-M560 HydrophobicContact CD2-CE 3.78Å; L517-M560 HydrophobicContact CD2-SD 3.82Å; L517-M560 HydrophobicContact CG-SD 4.32Å |
| 518 | N | 84.4 | Confident | 83.3 | Confident | 105 Ų | 105 | 36.4 Ų | 36.4 | 56% | 0.561 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -70.3 | -27.4 | 176.4 | -70.5 | -39.6 | 0 | 0 | 0 | 112.8 | L514 Q515 N520 | L514-N518 WeakPolarHBondContact O-CB 3.49Å; L514-N518 PolarHBondContact O-N 3.45Å; L514-N518 PolarHBondContact O-ND2 2.7Å; Q515-N518 PolarHBondContact O-N 3.38Å; N518-N520 VanDerWaalsContact C-N 3.26Å; N518-N520 PolarHBondContact O-N 3.06Å |
| 519 | H | 77.4 | Confident | 82.8 | Confident | 104 Ų | 104 | 40.2 Ų | 40.2 | 48% | 0.481 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 17 | 174.4 | -74 | -69.5 | 0 | 0 | 0 | 114 | Q515 L516 L517 P521 | Q515-H519 PolarHBondContact O-CD2 2.97Å; Q515-H519 PolarHBondContact O-N 3.38Å; Q515-H519 VanDerWaalsContact O-N 3.07Å; L516-H519 PolarHBondContact O-N 3.07Å; L517-H519 VanDerWaalsContact C-N 3.33Å; L517-H519 PolarHBondContact O-N 2.65Å; H519-P521 WeakPolarHBondContact O-CD 3.4Å |
| 520 | N | 69.3 | Low | 82.5 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | trans | -112.8 | 66.7 | -178.5 | -174.4 | 41.9 | 0 | 0 | 0 | 112.5 | L517 N518 V522 G523 S524 I525 F526 | L517-N520 WeakPolarHBondContact O-CB 3.26Å; L517-N520 PolarHBondContact O-N 2.54Å; N518-N520 VanDerWaalsContact C-N 3.26Å; N518-N520 PolarHBondContact O-N 3.06Å; N520-V522 VanDerWaalsContact C-N 3.33Å; N520-V522 PolarHBondContact O-N 3.32Å; N520-G523 WeakPolarHBondContact OD1-CA 3.23Å; N520-G523 PolarHBondContact OD1-N 3.33Å; N520-S524 PolarHBondContact OD1-N 3.31Å; N520-S524 PolarHBondContact OD1-OG 2.97Å; N520-I525 HydrophobicContact CB-CD1 4.39Å; N520-I525 HydrophobicContact CB-CG1 4.06Å; N520-I525 PolarHBondContact OD1-N 2.87Å; N520-F526 HydrophobicContact CB-CD2 4.39Å | ||
| 521 | P | 56.4 | Low | 82.5 | Confident | 116 Ų | 116 | 39.7 Ų | 39.7 | 75% | 0.753 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30.1 | -170.7 | 25.5 | -35 | 0 | 0 | 0 | 114.4 | H519 | H519-P521 WeakPolarHBondContact O-CD 3.4Š|
| 522 | V | 53.1 | Low | 82.6 | Confident | 128 Ų | 128 | 41.7 Ų | 41.7 | 78% | 0.776 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -143.9 | 69.3 | 175.1 | -168.2 | 0 | 0 | 0 | 0 | 110.8 | N520 S524 | N520-V522 VanDerWaalsContact C-N 3.33Å; N520-V522 PolarHBondContact O-N 3.32Å; V522-S524 PolarHBondContact O-N 3.08Å |
| 523 | G | 61.3 | Low | 82.7 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 27% | 0.268 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 50.2 | 35.1 | 165 | 0 | 0 | 0 | 0 | 0 | 115.9 | R446 N520 F526 | R446-G523 VanDerWaalsContact CZ-O 3.27Å; R446-G523 PolarHBondContact NE-O 3.11Å; R446-G523 PolarHBondContact NH2-O 3.47Å; N520-G523 WeakPolarHBondContact OD1-CA 3.23Å; N520-G523 PolarHBondContact OD1-N 3.33Å; G523-F526 CarbonylContact C-O 3.24Å |
| 524 | S | 75.5 | Confident | 82.8 | Confident | 51 Ų | 51 | 41.7 Ų | 41.7 | 36% | 0.357 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -92.4 | -22.7 | -165.8 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | N520 V522 | N520-S524 PolarHBondContact OD1-N 3.31Å; N520-S524 PolarHBondContact OD1-OG 2.97Å; V522-S524 PolarHBondContact O-N 3.08Å |
| 525 | I | 86.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -124.4 | -8.4 | 176.4 | 53.4 | 168 | 0 | 0 | 0 | 113.2 | G447 V496 L499 K500 L516 N520 | G447-I525 WeakPolarHBondContact CA-O 3.46Å; V496-I525 HydrophobicContact CG1-CG2 4.13Å; V496-I525 HydrophobicContact CG2-CD1 4.22Å; L499-I525 HydrophobicContact CB-CB 3.95Å; L499-I525 HydrophobicContact CB-CG2 4.1Å; K500-I525 HydrophobicContact CG-CG2 4.26Å; L516-I525 HydrophobicContact CB-CD1 4.49Å; L516-I525 HydrophobicContact CD2-CD1 4.33Å; N520-I525 HydrophobicContact CB-CD1 4.39Å; N520-I525 HydrophobicContact CB-CG1 4.06Å; N520-I525 PolarHBondContact OD1-N 2.87Å |
| 526 | F | 86.4 | Confident | 83.4 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | trans | -129.2 | 123.2 | 170.5 | -63.4 | -78.2 | 0 | 0 | 0 | 109.4 | P448 I451 L499 L506 L513 L516 L517 N520 G523 | P448-F526 HydrophobicContact CG-CD1 4.15Å; P448-F526 HydrophobicContact CG-CE1 4.02Å; I451-F526 HydrophobicContact CD1-CD1 3.97Å; I451-F526 HydrophobicContact CD1-CE1 3.8Å; I451-F526 HydrophobicContact CG1-CE1 4.39Å; L499-F526 HydrophobicContact CD1-CZ 4.43Å; L506-F526 HydrophobicContact CD2-CE1 3.82Å; L506-F526 HydrophobicContact CD2-CZ 3.91Å; L513-F526 HydrophobicContact CD1-CE1 4.48Å; L513-F526 HydrophobicContact CD1-CZ 4.07Å; L516-F526 HydrophobicContact CB-CE2 3.95Å; L516-F526 HydrophobicContact CB-CZ 4.06Å; L516-F526 HydrophobicContact CD1-CZ 4.48Å; L517-F526 HydrophobicContact CD2-CD2 3.82Å; L517-F526 HydrophobicContact CD2-CE2 3.65Å; L517-F526 HydrophobicContact CD2-CG 4.36Å; L517-F526 HydrophobicContact CD2-CZ 4.03Å; N520-F526 HydrophobicContact CB-CD2 4.39Å; G523-F526 CarbonylContact C-O 3.24Å | ||
| 527 | D | 87.2 | Confident | 83.7 | Confident | 35 Ų | 35 | 39 Ų | 39 | 19% | 0.187 | 23% | 0.226 | C | C | . | . | trans | -102.2 | 117.4 | 169.5 | 161.3 | 14.1 | 0 | 0 | 0 | 108.1 | R441 R446 Q529 A530 V531 | R441-D527 IonicContact CZ-OD2 3.67Å; R441-D527 IonicContact NH2-OD2 2.69Å; R441-D527 PolarHBondContact NH2-OD2 3.04Å; R446-D527 HydrophobicContact CG-CB 4.32Å; D527-Q529 PolarHBondContact O-N 2.69Å; D527-Q529 PolarHBondContact OD1-N 2.78Å; D527-A530 HydrophobicContact CB-CB 3.74Å; D527-A530 VanDerWaalsContact O-CB 3.22Å; D527-A530 WeakPolarHBondContact O-CB 3.4Å; D527-A530 PolarHBondContact O-N 3.37Å; D527-A530 PolarHBondContact OD1-N 2.78Å; D527-A530 WeakPolarHBondContact OD2-CB 3.36Å; D527-A530 PolarHBondContact OD2-N 2.97Å; D527-V531 PolarHBondContact O-N 3.49Å | ||
| 528 | A | 84.8 | Confident | 84 | Confident | 44 Ų | 44 | 39 Ų | 39 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | M560 | A528-M560 WeakPolarHBondContact CB-O 3.4Š|
| 529 | Q | 87.4 | Confident | 84.4 | Confident | 80 Ų | 80 | 34 Ų | 34 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -10.8 | 172.8 | -59.5 | -62.4 | -59.7 | 0 | 0 | 112.3 | D527 K532 Q562 | D527-Q529 PolarHBondContact O-N 2.69Å; D527-Q529 PolarHBondContact OD1-N 2.78Å; Q529-K532 PolarHBondContact O-NZ 3.14Å; Q529-Q562 VanDerWaalsContact NE2-OE1 3.11Å |
| 530 | A | 89.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -50.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D527 K532 | D527-A530 HydrophobicContact CB-CB 3.74Å; D527-A530 VanDerWaalsContact O-CB 3.22Å; D527-A530 WeakPolarHBondContact O-CB 3.4Å; D527-A530 PolarHBondContact O-N 3.37Å; D527-A530 PolarHBondContact OD1-N 2.78Å; D527-A530 WeakPolarHBondContact OD2-CB 3.36Å; D527-A530 PolarHBondContact OD2-N 2.97Å; A530-K532 WeakPolarHBondContact O-CD 3.37Å; A530-K532 WeakPolarHBondContact O-CG 3.31Å; A530-K532 PolarHBondContact O-N 3.23Å |
| 531 | V | 92.9 | Very high | 86 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | trans | -68.9 | 105 | -169.5 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | P448 T449 I451 D527 C533 I534 F561 C568 | P448-V531 WeakPolarHBondContact O-CG2 3.37Å; T449-V531 CarbonylContact O-C 3.55Å; T449-V531 WeakPolarHBondContact O-CA 3.24Å; I451-V531 HydrophobicContact CD1-CG1 4.25Å; I451-V531 HydrophobicContact CD1-CG2 4.09Å; I451-V531 HydrophobicContact CG1-CG1 4.26Å; I451-V531 HydrophobicContact CG1-CG2 4.36Å; D527-V531 PolarHBondContact O-N 3.49Å; V531-C533 WeakPolarHBondContact CG1-O 3.4Å; V531-I534 HydrophobicContact CG1-CD1 4.14Å; V531-I534 HydrophobicContact CG1-CG1 3.7Å; V531-F561 HydrophobicContact CB-CD1 3.91Å; V531-F561 HydrophobicContact CB-CE1 3.85Å; V531-F561 HydrophobicContact CG1-CD1 4.24Å; V531-F561 HydrophobicContact CG1-CE1 4.25Å; V531-F561 HydrophobicContact CG2-CD1 4.16Å; V531-F561 HydrophobicContact CG2-CE1 3.57Å; V531-F561 HydrophobicContact CG2-CZ 4.32Å; V531-C568 WeakPolarHBondContact O-CB 3.15Å | ||
| 532 | K | 93.9 | Very high | 87.6 | Confident | 77 Ų | 77 | 23.1 Ų | 23.1 | 34% | 0.335 | 14% | 0.139 | S | C | . | . | trans | -91 | -17.1 | 177.6 | -55.9 | -45.8 | -172.7 | -171.8 | 0 | 112.8 | T449 Q529 A530 C568 Q569 | T449-K532 HydrophobicContact CG2-CG 4.14Å; T449-K532 PolarHBondContact O-N 3.33Å; Q529-K532 PolarHBondContact O-NZ 3.14Å; A530-K532 WeakPolarHBondContact O-CD 3.37Å; A530-K532 WeakPolarHBondContact O-CG 3.31Å; A530-K532 PolarHBondContact O-N 3.23Å; K532-C568 WeakPolarHBondContact O-CA 3.43Å; K532-Q569 PolarHBondContact O-N 3.12Å | ||
| 533 | C | 94.9 | Very high | 89.3 | Confident | 7 Ų | 7 | 18.2 Ų | 18.2 | 5% | 0.047 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 137.1 | -173.7 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | C450 I451 V531 Q569 L571 | C450-C533 VanDerWaalsContact CA-O 3.29Å; C450-C533 WeakPolarHBondContact CA-O 3.47Å; C450-C533 HydrophobicContact CB-CB 4.06Å; C450-C533 VanDerWaalsContact SG-SG 3.61Å; I451-C533 PolarHBondContact N-O 3.1Å; V531-C533 WeakPolarHBondContact CG1-O 3.4Å; C533-Q569 CarbonylContact C-O 3.36Å; C533-Q569 WeakPolarHBondContact CA-O 3.01Å; C533-L571 WeakPolarHBondContact SG-CD1 3.49Å |
| 534 | I | 96.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128 | 166.5 | -59.6 | -177.5 | 0 | 0 | 0 | 108.2 | I451 V531 L536 L557 F561 L563 Q569 L570 L571 | I451-I534 HydrophobicContact CB-CG1 4.33Å; I451-I534 CarbonylContact O-C 3.56Å; I451-I534 VanDerWaalsContact O-CA 3.3Å; I451-I534 WeakPolarHBondContact O-CA 3.41Å; V531-I534 HydrophobicContact CG1-CD1 4.14Å; V531-I534 HydrophobicContact CG1-CG1 3.7Å; I534-L536 HydrophobicContact CG2-CD2 4.25Å; I534-L557 HydrophobicContact CD1-CD2 3.85Å; I534-L557 HydrophobicContact CG2-CD1 4.42Å; I534-L557 HydrophobicContact CG2-CD2 4.49Å; I534-F561 HydrophobicContact CD1-CB 4.25Å; I534-F561 HydrophobicContact CD1-CD1 4.48Å; I534-F561 HydrophobicContact CD1-CD2 3.46Å; I534-F561 VanDerWaalsContact CD1-CD2 3.46Å; I534-F561 HydrophobicContact CD1-CE2 3.88Å; I534-F561 HydrophobicContact CD1-CG 3.8Å; I534-L563 HydrophobicContact CD1-CD2 4.35Å; I534-Q569 PolarHBondContact N-O 3.19Å; I534-L570 HydrophobicContact CB-CD1 4.12Å; I534-L570 HydrophobicContact CG2-CD1 4.11Å; I534-L570 WeakPolarHBondContact O-CA 3.2Å; I534-L571 PolarHBondContact O-N 2.93Å |
| 535 | A | 97.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y426 I451 F452 V453 L571 | Y426-A535 HydrophobicContact CE2-CB 4.22Å; I451-A535 PolarHBondContact O-N 3.26Å; F452-A535 HydrophobicContact CD1-CB 4.4Å; F452-A535 HydrophobicContact CD2-CB 3.52Å; F452-A535 HydrophobicContact CE2-CB 3.71Å; F452-A535 HydrophobicContact CG-CB 3.91Å; F452-A535 HydrophobicContact CZ-CB 4.21Å; V453-A535 PolarHBondContact N-O 2.95Å; A535-L571 CarbonylContact C-O 3.46Å; A535-L571 WeakPolarHBondContact CA-O 3.42Å; A535-L571 HydrophobicContact CB-CB 4.21Å; A535-L571 HydrophobicContact CB-CD1 4.39Å |
| 536 | L | 97.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 86 | 177.1 | -55 | -179.6 | 0 | 0 | 0 | 108.8 | V453 I534 L539 M542 L554 L557 L570 L571 V572 S573 | V453-L536 HydrophobicContact CB-CD2 3.88Å; V453-L536 HydrophobicContact CG2-CD2 3.87Å; I534-L536 HydrophobicContact CG2-CD2 4.25Å; L536-L539 HydrophobicContact CD1-CD1 4.48Å; L536-M542 HydrophobicContact CB-CE 4.06Å; L536-L554 HydrophobicContact CD1-CD2 3.75Å; L536-L557 HydrophobicContact CD1-CD1 4.32Å; L536-L570 HydrophobicContact CD1-CD1 4.24Å; L536-L570 HydrophobicContact CG-CD1 4.31Å; L536-L571 PolarHBondContact N-O 3.13Å; L536-V572 HydrophobicContact CB-CG2 4.45Å; L536-V572 HydrophobicContact CD1-CG2 4.4Å; L536-S573 PolarHBondContact O-N 3.34Å |
| 537 | D | 96.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 131 | -176.3 | -161.4 | 22.4 | 0 | 0 | 0 | 112.3 | T423 Y426 F452 V453 P455 M542 S573 | T423-D537 WeakPolarHBondContact CB-OD2 3.41Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.13Å; T423-D537 PolarHBondContact OG1-OD2 3.31Å; Y426-D537 VanDerWaalsContact OH-CB 3.3Å; Y426-D537 WeakPolarHBondContact OH-CB 3.46Å; Y426-D537 PolarHBondContact OH-OD1 2.84Å; F452-D537 HydrophobicContact CE1-CB 3.73Å; F452-D537 HydrophobicContact CZ-CB 4.03Å; V453-D537 PolarHBondContact O-N 2.82Å; P455-D537 WeakPolarHBondContact CD-O 3.19Å; D537-M542 WeakPolarHBondContact O-CE 3.47Å; D537-S573 WeakPolarHBondContact OD1-CB 3.32Å; D537-S573 PolarHBondContact OD1-OG 3.14Å |
| 538 | N | 93.4 | Very high | 90.1 | Very high | 13 Ų | 13 | 27.5 Ų | 27.5 | 7% | 0.07 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 51.4 | -173.2 | -59.2 | -55.7 | 0 | 0 | 0 | 113.7 | K422 P455 Q459 N540 D541 M542 S573 | K422-N538 WeakPolarHBondContact CE-OD1 3.45Å; P455-N538 HydrophobicContact CG-CB 3.88Å; Q459-N538 PolarHBondContact OE1-ND2 3.05Å; N538-N540 PolarHBondContact O-N 3.03Å; N538-D541 HydrophobicContact CB-CB 4.21Å; N538-D541 WeakPolarHBondContact O-CA 3.36Å; N538-D541 WeakPolarHBondContact O-CB 3.1Å; N538-D541 PolarHBondContact O-N 3.27Å; N538-M542 PolarHBondContact O-N 3.35Å; N538-S573 CarbonylContact C-O 3.56Å; N538-S573 WeakPolarHBondContact CA-O 3.47Å; N538-S573 PolarHBondContact N-O 3.38Å; N538-S573 PolarHBondContact N-OG 2.83Å |
| 539 | L | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -47.7 | -36.9 | 178.9 | 179 | 65.4 | 0 | 0 | 0 | 114 | L536 D541 M542 V543 T550 V572 S573 L581 M582 I586 | L536-L539 HydrophobicContact CD1-CD1 4.48Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.02Å; L539-M542 HydrophobicContact CD1-SD 4.06Å; L539-M542 WeakPolarHBondContact O-CB 3.16Å; L539-M542 PolarHBondContact O-N 3.29Å; L539-M542 VanDerWaalsContact O-N 3.14Å; L539-V543 HydrophobicContact CD1-CG2 4.32Å; L539-V543 HydrophobicContact CG-CG2 4.48Å; L539-V543 WeakPolarHBondContact O-CG2 3.41Å; L539-V543 PolarHBondContact O-N 2.91Å; L539-T550 HydrophobicContact CD1-CG2 3.83Å; L539-V572 HydrophobicContact CB-CG1 4.13Å; L539-V572 HydrophobicContact CD2-CG1 3.8Å; L539-S573 PolarHBondContact N-O 3.26Å; L539-L581 HydrophobicContact CD2-CD2 4.03Å; L539-L581 HydrophobicContact CD2-CG 4.4Å; L539-L581 HydrophobicContact CG-CD2 4.22Å; L539-M582 HydrophobicContact CD2-CE 4.41Å; L539-I586 HydrophobicContact CD2-CD1 3.53Å; L539-I586 HydrophobicContact CD2-CG1 3.72Å |
| 540 | N | 90.4 | Very high | 90.5 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 4% | 0.043 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65 | -30.9 | 176.5 | -52.3 | 103.2 | 0 | 0 | 0 | 113.4 | N538 R544 G574 R575 I576 H578 | N538-N540 PolarHBondContact O-N 3.03Å; N540-R544 WeakPolarHBondContact O-CB 3.3Å; N540-R544 PolarHBondContact O-N 2.92Å; N540-R544 VanDerWaalsContact O-N 3.1Å; N540-G574 WeakPolarHBondContact OD1-CA 3.47Å; N540-R575 PolarHBondContact OD1-N 2.77Å; N540-I576 PolarHBondContact ND2-O 3.21Å; N540-I576 PolarHBondContact OD1-N 3.24Å; N540-I576 VanDerWaalsContact OD1-N 3.12Å; N540-I576 PolarHBondContact OD1-O 2.78Å; N540-H578 PolarHBondContact ND2-CD2 3.33Å |
| 541 | D | 88.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.3 | -36.5 | 173.3 | -71.3 | -41.8 | 0 | 0 | 0 | 110.2 | P455 N538 L539 R544 V545 R575 | P455-D541 HydrophobicContact CB-CB 3.72Å; P455-D541 HydrophobicContact CG-CB 3.51Å; N538-D541 HydrophobicContact CB-CB 4.21Å; N538-D541 WeakPolarHBondContact O-CA 3.36Å; N538-D541 WeakPolarHBondContact O-CB 3.1Å; N538-D541 PolarHBondContact O-N 3.27Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.02Å; D541-R544 PolarHBondContact O-N 3Å; D541-R544 IonicContact OD1-CZ 3.01Å; D541-R544 IonicContact OD1-NH1 2.62Å; D541-R544 PolarHBondContact OD1-NH1 3.18Å; D541-R544 IonicContact OD1-NH2 3.91Å; D541-R544 PolarHBondContact OD1-NH2 2.94Å; D541-V545 WeakPolarHBondContact O-CG2 3.38Å; D541-V545 PolarHBondContact O-N 2.68Å; D541-V545 VanDerWaalsContact O-N 3.14Å; D541-R575 IonicContact OD1-CZ 3.89Å; D541-R575 IonicContact OD1-NE 3.42Å; D541-R575 PolarHBondContact OD1-NE 3.03Å; D541-R575 IonicContact OD1-NH2 2.89Å; D541-R575 PolarHBondContact OD1-NH2 2.92Å; D541-R575 IonicContact OD2-CZ 3.44Å; D541-R575 IonicContact OD2-NE 3.04Å; D541-R575 PolarHBondContact OD2-NE 3.19Å; D541-R575 IonicContact OD2-NH2 2.91Å; D541-R575 PolarHBondContact OD2-NH2 2.98Å |
| 542 | M | 90.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.1 | -52.1 | 172.2 | -53 | -177.4 | -166 | 0 | 0 | 111.3 | V453 P455 V510 L536 D537 N538 L539 R544 V545 L546 T550 | V453-M542 HydrophobicContact CB-CE 4.04Å; V453-M542 HydrophobicContact CG1-CE 3.93Å; V453-M542 HydrophobicContact CG1-SD 4.04Å; V453-M542 WeakPolarHBondContact O-CE 3.35Å; P455-M542 HydrophobicContact CB-CG 4.25Å; P455-M542 HydrophobicContact CG-CG 4.09Å; V510-M542 HydrophobicContact CG2-CB 4.03Å; V510-M542 HydrophobicContact CG2-CG 4.06Å; V510-M542 HydrophobicContact CG2-SD 3.6Å; L536-M542 HydrophobicContact CB-CE 4.06Å; D537-M542 WeakPolarHBondContact O-CE 3.47Å; N538-M542 PolarHBondContact O-N 3.35Å; L539-M542 HydrophobicContact CD1-SD 4.06Å; L539-M542 WeakPolarHBondContact O-CB 3.16Å; L539-M542 PolarHBondContact O-N 3.29Å; L539-M542 VanDerWaalsContact O-N 3.14Å; M542-R544 PolarHBondContact O-N 3.01Å; M542-V545 PolarHBondContact O-N 2.91Å; M542-V545 VanDerWaalsContact O-N 3.13Å; M542-L546 CarbonylContact O-C 3.5Å; M542-L546 PolarHBondContact O-N 3.23Å; M542-T550 HydrophobicContact CB-CG2 4.07Å; M542-T550 PolarHBondContact O-OG1 2.8Å |
| 543 | V | 87.8 | Confident | 90.3 | Very high | 24 Ų | 24 | 26.4 Ų | 26.4 | 15% | 0.145 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65 | -22.5 | 179.6 | 176 | 0 | 0 | 0 | 0 | 112.4 | L539 P547 T550 L581 | L539-V543 HydrophobicContact CD1-CG2 4.32Å; L539-V543 HydrophobicContact CG-CG2 4.48Å; L539-V543 WeakPolarHBondContact O-CG2 3.41Å; L539-V543 PolarHBondContact O-N 2.91Å; V543-P547 WeakPolarHBondContact O-CA 3.34Å; V543-P547 VanDerWaalsContact O-CB 3.25Å; V543-P547 WeakPolarHBondContact O-CB 3.39Å; V543-P547 VanDerWaalsContact O-CD 3.31Å; V543-P547 WeakPolarHBondContact O-CD 3.15Å; V543-T550 HydrophobicContact CG2-CG2 3.59Å; V543-L581 HydrophobicContact CG2-CD1 4.26Å; V543-L581 HydrophobicContact CG2-CD2 3.86Å |
| 544 | R | 81.4 | Confident | 90.3 | Very high | 149 Ų | 149 | 26.4 Ų | 26.4 | 56% | 0.562 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -76.5 | -39.5 | 171.9 | -174 | -179.7 | 64.1 | -103.5 | -5.8 | 112.8 | N540 D541 M542 | N540-R544 WeakPolarHBondContact O-CB 3.3Å; N540-R544 PolarHBondContact O-N 2.92Å; N540-R544 VanDerWaalsContact O-N 3.1Å; D541-R544 PolarHBondContact O-N 3Å; D541-R544 IonicContact OD1-CZ 3.01Å; D541-R544 IonicContact OD1-NH1 2.62Å; D541-R544 PolarHBondContact OD1-NH1 3.18Å; D541-R544 IonicContact OD1-NH2 3.91Å; D541-R544 PolarHBondContact OD1-NH2 2.94Å; M542-R544 PolarHBondContact O-N 3.01Å |
| 545 | V | 81.4 | Confident | 90 | Very high | 61 Ų | 61 | 31.6 Ų | 31.6 | 37% | 0.37 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -88.4 | -37.9 | -173.2 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | D541 M542 | D541-V545 WeakPolarHBondContact O-CG2 3.38Å; D541-V545 PolarHBondContact O-N 2.68Å; D541-V545 VanDerWaalsContact O-N 3.14Å; M542-V545 PolarHBondContact O-N 2.91Å; M542-V545 VanDerWaalsContact O-N 3.13Å |
| 546 | L | 84.3 | Confident | 89.6 | Confident | 36 Ų | 36 | 36.6 Ų | 36.6 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | trans | -136.3 | 60.9 | -177.8 | -64.6 | 174.3 | 0 | 0 | 0 | 110.9 | V510 D511 M542 N548 D549 T550 D963 | V510-L546 HydrophobicContact CB-CD1 4.26Å; D511-L546 HydrophobicContact CB-CD1 3.87Å; M542-L546 CarbonylContact O-C 3.5Å; M542-L546 PolarHBondContact O-N 3.23Å; L546-N548 PolarHBondContact O-N 2.69Å; L546-D549 HydrophobicContact CB-CB 4.39Å; L546-D549 PolarHBondContact O-N 3.14Å; L546-T550 VanDerWaalsContact O-CB 3.3Å; L546-T550 WeakPolarHBondContact O-CB 3.29Å; L546-T550 PolarHBondContact O-N 2.84Å; L546-T550 PolarHBondContact O-OG1 3.03Å; L546-D963 HydrophobicContact CD2-CB 4.28Å | ||
| 547 | P | 83.6 | Confident | 89.3 | Confident | 32 Ų | 32 | 36.6 Ų | 36.6 | 21% | 0.208 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -52.6 | -50.3 | -178.4 | 14 | -26.4 | 0 | 0 | 0 | 113 | V543 D549 T550 M551 P961 D963 | V543-P547 WeakPolarHBondContact O-CA 3.34Å; V543-P547 VanDerWaalsContact O-CB 3.25Å; V543-P547 WeakPolarHBondContact O-CB 3.39Å; V543-P547 VanDerWaalsContact O-CD 3.31Å; V543-P547 WeakPolarHBondContact O-CD 3.15Å; P547-D549 PolarHBondContact O-N 2.98Å; P547-T550 PolarHBondContact O-N 3.3Å; P547-M551 WeakPolarHBondContact O-CG 3.32Å; P547-M551 PolarHBondContact O-N 3.26Å; P547-P961 HydrophobicContact CG-CG 4.34Å; P547-D963 WeakPolarHBondContact CD-OD1 3.17Å; P547-D963 WeakPolarHBondContact CD-OD2 3.46Å; P547-D963 WeakPolarHBondContact CG-OD1 3.29Å; P547-D963 WeakPolarHBondContact CG-OD2 3.36Å |
| 548 | N | 83.1 | Confident | 89 | Confident | 38 Ų | 38 | 39.7 Ų | 39.7 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | -174.6 | -72.8 | -86.3 | 0 | 0 | 0 | 112.4 | L546 M551 K552 D963 F1017 | L546-N548 PolarHBondContact O-N 2.69Å; N548-M551 PolarHBondContact O-N 2.82Å; N548-K552 WeakPolarHBondContact O-CG 3.41Å; N548-K552 PolarHBondContact O-N 3.32Å; N548-K552 VanDerWaalsContact O-N 3.12Å; N548-D963 WeakPolarHBondContact CB-OD2 3.3Å; N548-D963 PolarHBondContact N-OD2 2.78Å; N548-D963 VanDerWaalsContact N-OD2 3.14Å; N548-D963 PolarHBondContact ND2-OD2 2.89Å; N548-F1017 WeakPolarHBondContact ND2-CE1 3.46Å |
| 549 | D | 88.5 | Confident | 88.8 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.3 | -30.7 | -178.9 | -71.4 | -21.2 | 0 | 0 | 0 | 111.8 | V510 L514 L546 P547 K552 L553 | V510-D549 HydrophobicContact CG1-CB 4.15Å; L514-D549 HydrophobicContact CD1-CB 3.75Å; L514-D549 WeakPolarHBondContact CD1-O 3.43Å; L546-D549 HydrophobicContact CB-CB 4.39Å; L546-D549 PolarHBondContact O-N 3.14Å; P547-D549 PolarHBondContact O-N 2.98Å; D549-K552 PolarHBondContact O-N 3.18Å; D549-K552 WeakPolarHBondContact OD1-CE 3.37Å; D549-K552 IonicContact OD1-NZ 3.85Å; D549-K552 PolarHBondContact OD1-NZ 3.31Å; D549-L553 WeakPolarHBondContact O-CB 3.32Å; D549-L553 PolarHBondContact O-N 3.45Å |
| 550 | T | 91.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 171.6 | -51.2 | 0 | 0 | 0 | 0 | 110.9 | L539 M542 V543 L546 P547 L553 L554 | L539-T550 HydrophobicContact CD1-CG2 3.83Å; M542-T550 HydrophobicContact CB-CG2 4.07Å; M542-T550 PolarHBondContact O-OG1 2.8Å; V543-T550 HydrophobicContact CG2-CG2 3.59Å; L546-T550 VanDerWaalsContact O-CB 3.3Å; L546-T550 WeakPolarHBondContact O-CB 3.29Å; L546-T550 PolarHBondContact O-N 2.84Å; L546-T550 PolarHBondContact O-OG1 3.03Å; P547-T550 PolarHBondContact O-N 3.3Å; T550-L553 PolarHBondContact O-N 2.94Å; T550-L554 WeakPolarHBondContact O-CG 3.47Å; T550-L554 PolarHBondContact O-N 2.95Å |
| 551 | M | 90.4 | Very high | 88.2 | Confident | 46 Ų | 46 | 47.3 Ų | 47.3 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.8 | -65.6 | -42.7 | -56.4 | 0 | 0 | 112.7 | P547 N548 L553 L554 Q555 L581 H585 | P547-M551 WeakPolarHBondContact O-CG 3.32Å; P547-M551 PolarHBondContact O-N 3.26Å; N548-M551 PolarHBondContact O-N 2.82Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 3.38Å; M551-L554 HydrophobicContact CE-CD1 4.37Å; M551-L554 PolarHBondContact O-N 3.2Å; M551-L554 HydrophobicContact SD-CD1 4.37Å; M551-Q555 WeakPolarHBondContact O-CG 3.42Å; M551-Q555 PolarHBondContact O-N 2.9Å; M551-Q555 VanDerWaalsContact O-N 3.08Å; M551-L581 HydrophobicContact CE-CD1 4.33Å; M551-L581 HydrophobicContact SD-CD1 3.86Å; M551-H585 HydrophobicContact CE-CB 4.18Å; M551-H585 WeakPolarHBondContact CE-CD2 3.41Å; M551-H585 WeakPolarHBondContact CE-NE2 3.32Å |
| 552 | K | 91.1 | Very high | 88.1 | Confident | 93 Ų | 93 | 51.9 Ų | 51.9 | 40% | 0.404 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 173.1 | -67.8 | 168.1 | -157.3 | 163.3 | 0 | 111.7 | L514 N548 D549 Q555 R556 | L514-K552 HydrophobicContact CD1-CB 4.07Å; L514-K552 HydrophobicContact CD1-CD 4.47Å; L514-K552 HydrophobicContact CD2-CB 4.48Å; N548-K552 WeakPolarHBondContact O-CG 3.41Å; N548-K552 PolarHBondContact O-N 3.32Å; N548-K552 VanDerWaalsContact O-N 3.12Å; D549-K552 PolarHBondContact O-N 3.18Å; D549-K552 WeakPolarHBondContact OD1-CE 3.37Å; D549-K552 IonicContact OD1-NZ 3.85Å; D549-K552 PolarHBondContact OD1-NZ 3.31Å; K552-Q555 PolarHBondContact O-N 3.02Å; K552-R556 WeakPolarHBondContact O-CG 3.48Å; K552-R556 PolarHBondContact O-N 3.4Å |
| 553 | L | 92.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -48.6 | 177.8 | 177.8 | 60.8 | 0 | 0 | 0 | 110.9 | V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557 | V510-L553 HydrophobicContact CB-CD2 4.37Å; V510-L553 HydrophobicContact CG1-CB 4.22Å; V510-L553 HydrophobicContact CG1-CD2 4.03Å; V510-L553 HydrophobicContact CG2-CD2 4.17Å; L513-L553 HydrophobicContact CD2-CD1 3.73Å; L513-L553 HydrophobicContact CD2-CD2 4.06Å; L513-L553 HydrophobicContact CG-CD1 4.13Å; L514-L553 HydrophobicContact CD2-CB 4.13Å; L514-L553 HydrophobicContact CD2-CD1 4.28Å; L514-L553 HydrophobicContact CG-CB 4.31Å; L517-L553 HydrophobicContact CD1-CD1 3.88Å; D549-L553 WeakPolarHBondContact O-CB 3.32Å; D549-L553 PolarHBondContact O-N 3.45Å; T550-L553 PolarHBondContact O-N 2.94Å; M551-L553 VanDerWaalsContact C-N 3.34Å; M551-L553 PolarHBondContact O-N 3.38Å; L553-Q555 PolarHBondContact O-N 2.99Å; L553-R556 PolarHBondContact O-N 3.18Å; L553-L557 HydrophobicContact CD1-CD2 4.1Å; L553-L557 HydrophobicContact CD1-CG 4.31Å; L553-L557 HydrophobicContact CG-CG 4.45Å; L553-L557 WeakPolarHBondContact O-CG 3.36Å; L553-L557 PolarHBondContact O-N 2.84Å |
| 554 | L | 93.3 | Very high | 87.5 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -31.4 | 178.4 | -67 | 179 | 0 | 0 | 0 | 113.3 | L536 T550 M551 L557 P558 L581 H585 I586 | L536-L554 HydrophobicContact CD1-CD2 3.75Å; T550-L554 WeakPolarHBondContact O-CG 3.47Å; T550-L554 PolarHBondContact O-N 2.95Å; M551-L554 HydrophobicContact CE-CD1 4.37Å; M551-L554 PolarHBondContact O-N 3.2Å; M551-L554 HydrophobicContact SD-CD1 4.37Å; L554-L557 HydrophobicContact CD2-CD1 4.31Å; L554-P558 VanDerWaalsContact O-CD 3.26Å; L554-P558 WeakPolarHBondContact O-CD 3.38Å; L554-L581 HydrophobicContact CD1-CD1 3.75Å; L554-H585 HydrophobicContact CD1-CB 4.2Å; L554-I586 HydrophobicContact CD1-CD1 3.79Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.31Å |
| 555 | Q | 91.4 | Very high | 87 | Confident | 110 Ų | 110 | 50.4 Ų | 50.4 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71 | -41.1 | 172.1 | -70.8 | 168.3 | -25.3 | 0 | 0 | 112.2 | M551 K552 L553 P558 | M551-Q555 WeakPolarHBondContact O-CG 3.42Å; M551-Q555 PolarHBondContact O-N 2.9Å; M551-Q555 VanDerWaalsContact O-N 3.08Å; K552-Q555 PolarHBondContact O-N 3.02Å; L553-Q555 PolarHBondContact O-N 2.99Å; Q555-P558 WeakPolarHBondContact O-CD 3.29Å; Q555-P558 WeakPolarHBondContact O-CG 3.4Å |
| 556 | R | 89.9 | Confident | 86.7 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.3 | -30.6 | 179.6 | -70.3 | -59.6 | -151.7 | 167.9 | 8 | 114.4 | K552 L553 E559 M560 | K552-R556 WeakPolarHBondContact O-CG 3.48Å; K552-R556 PolarHBondContact O-N 3.4Å; L553-R556 PolarHBondContact O-N 3.18Å; R556-E559 WeakPolarHBondContact CD-OE2 3.46Å; R556-E559 IonicContact CZ-OE2 3.92Å; R556-E559 IonicContact NE-OE2 2.67Å; R556-E559 IonicContact NH1-OE2 2.86Å; R556-E559 PolarHBondContact NH1-OE2 3.31Å; R556-E559 WeakPolarHBondContact O-CB 3.21Å; R556-E559 PolarHBondContact O-N 2.9Å; R556-E559 VanDerWaalsContact O-N 3.15Å; R556-M560 PolarHBondContact O-N 2.93Å |
| 557 | L | 90.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53.9 | -51.3 | -177.7 | -73.1 | -176 | 0 | 0 | 0 | 114.1 | I534 L536 L553 L554 E559 M560 F561 L563 | I534-L557 HydrophobicContact CD1-CD2 3.85Å; I534-L557 HydrophobicContact CG2-CD1 4.42Å; I534-L557 HydrophobicContact CG2-CD2 4.49Å; L536-L557 HydrophobicContact CD1-CD1 4.32Å; L553-L557 HydrophobicContact CD1-CD2 4.1Å; L553-L557 HydrophobicContact CD1-CG 4.31Å; L553-L557 HydrophobicContact CG-CG 4.45Å; L553-L557 WeakPolarHBondContact O-CG 3.36Å; L553-L557 PolarHBondContact O-N 2.84Å; L554-L557 HydrophobicContact CD2-CD1 4.31Å; L557-E559 VanDerWaalsContact C-N 3.33Å; L557-E559 PolarHBondContact O-N 3.43Å; L557-M560 PolarHBondContact O-N 3.28Å; L557-F561 HydrophobicContact CD2-CD2 4.04Å; L557-F561 HydrophobicContact CD2-CE2 4.11Å; L557-F561 WeakPolarHBondContact O-CD2 3.17Å; L557-F561 PolarHBondContact O-N 2.86Å; L557-L563 HydrophobicContact CB-CD1 4.19Å |
| 558 | P | 89.7 | Confident | 87.1 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70 | -21.2 | 176.6 | 27.2 | -36.3 | 0 | 0 | 0 | 114.8 | L554 Q555 M560 L589 | L554-P558 VanDerWaalsContact O-CD 3.26Å; L554-P558 WeakPolarHBondContact O-CD 3.38Å; Q555-P558 WeakPolarHBondContact O-CD 3.29Å; Q555-P558 WeakPolarHBondContact O-CG 3.4Å; P558-M560 PolarHBondContact O-N 3.18Å; P558-L589 HydrophobicContact CB-CD2 3.88Å; P558-L589 HydrophobicContact CG-CD2 3.89Å |
| 559 | E | 88.8 | Confident | 87.6 | Confident | 122 Ų | 122 | 53.5 Ų | 53.5 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.2 | -29.3 | 172.3 | -59.9 | 174.6 | -171.3 | 0 | 0 | 111.6 | R556 L557 | R556-E559 WeakPolarHBondContact CD-OE2 3.46Å; R556-E559 IonicContact CZ-OE2 3.92Å; R556-E559 IonicContact NE-OE2 2.67Å; R556-E559 IonicContact NH1-OE2 2.86Å; R556-E559 PolarHBondContact NH1-OE2 3.31Å; R556-E559 WeakPolarHBondContact O-CB 3.21Å; R556-E559 PolarHBondContact O-N 2.9Å; R556-E559 VanDerWaalsContact O-N 3.15Å; L557-E559 VanDerWaalsContact C-N 3.33Å; L557-E559 PolarHBondContact O-N 3.43Å |
| 560 | M | 84.2 | Confident | 87.9 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -109.4 | -24.5 | -169.7 | -63.2 | -170.8 | 69.1 | 0 | 0 | 114.4 | L517 A528 R556 L557 P558 | L517-M560 HydrophobicContact CB-SD 4.36Å; L517-M560 HydrophobicContact CD1-SD 4.18Å; L517-M560 HydrophobicContact CD2-CE 3.78Å; L517-M560 HydrophobicContact CD2-SD 3.82Å; L517-M560 HydrophobicContact CG-SD 4.32Å; A528-M560 WeakPolarHBondContact CB-O 3.4Å; R556-M560 PolarHBondContact O-N 2.93Å; L557-M560 PolarHBondContact O-N 3.28Å; P558-M560 PolarHBondContact O-N 3.18Å |
| 561 | F | 88.6 | Confident | 88.2 | Confident | 9 Ų | 9 | 51.6 Ų | 51.6 | 4% | 0.039 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -133.3 | 138.3 | -170.9 | -54.6 | -68.8 | 0 | 0 | 0 | 112.8 | I451 V531 I534 L557 L563 | I451-F561 HydrophobicContact CD1-CE1 4.39Å; I451-F561 HydrophobicContact CD1-CE2 4.2Å; I451-F561 HydrophobicContact CD1-CZ 3.72Å; V531-F561 HydrophobicContact CB-CD1 3.91Å; V531-F561 HydrophobicContact CB-CE1 3.85Å; V531-F561 HydrophobicContact CG1-CD1 4.24Å; V531-F561 HydrophobicContact CG1-CE1 4.25Å; V531-F561 HydrophobicContact CG2-CD1 4.16Å; V531-F561 HydrophobicContact CG2-CE1 3.57Å; V531-F561 HydrophobicContact CG2-CZ 4.32Å; I534-F561 HydrophobicContact CD1-CB 4.25Å; I534-F561 HydrophobicContact CD1-CD1 4.48Å; I534-F561 HydrophobicContact CD1-CD2 3.46Å; I534-F561 VanDerWaalsContact CD1-CD2 3.46Å; I534-F561 HydrophobicContact CD1-CE2 3.88Å; I534-F561 HydrophobicContact CD1-CG 3.8Å; L557-F561 HydrophobicContact CD2-CD2 4.04Å; L557-F561 HydrophobicContact CD2-CE2 4.11Å; L557-F561 WeakPolarHBondContact O-CD2 3.17Å; L557-F561 PolarHBondContact O-N 2.86Å; F561-L563 HydrophobicContact CB-CD2 4.14Å; F561-L563 HydrophobicContact CB-CG 4.33Å; F561-L563 PolarHBondContact O-N 3.5Å |
| 562 | Q | 87.4 | Confident | 88.5 | Confident | 97 Ų | 97 | 49.4 Ų | 49.4 | 45% | 0.453 | 24% | 0.24 | S | C | . | . | trans | -81.5 | 83.7 | 177.7 | -70.2 | 176.9 | -11.4 | 0 | 0 | 110.3 | Q529 T564 K567 C568 | Q529-Q562 VanDerWaalsContact NE2-OE1 3.11Å; Q562-T564 PolarHBondContact O-N 3.07Å; Q562-K567 HydrophobicContact CB-CB 4.03Å; Q562-K567 HydrophobicContact CB-CG 4.3Å; Q562-K567 WeakPolarHBondContact O-CB 3.3Å; Q562-C568 WeakPolarHBondContact O-CB 3.1Å; Q562-C568 PolarHBondContact O-N 3.31Å; Q562-C568 VanDerWaalsContact O-N 3.14Å | ||
| 563 | L | 87 | Confident | 88.8 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | trans | -76.5 | 67 | -174.3 | -59.9 | 172.3 | 0 | 0 | 0 | 112.6 | I534 L557 F561 C568 L589 | I534-L563 HydrophobicContact CD1-CD2 4.35Å; L557-L563 HydrophobicContact CB-CD1 4.19Å; F561-L563 HydrophobicContact CB-CD2 4.14Å; F561-L563 HydrophobicContact CB-CG 4.33Å; F561-L563 PolarHBondContact O-N 3.5Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; L563-L589 HydrophobicContact CD1-CB 3.94Å; L563-L589 HydrophobicContact CD1-CD1 4.1Å; L563-L589 HydrophobicContact CD1-CD2 4.24Å; L563-L589 HydrophobicContact CD1-CG 4.33Å | ||
| 564 | T | 79.3 | Confident | 88.9 | Confident | 67 Ų | 67 | 44.9 Ų | 44.9 | 41% | 0.411 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -134.3 | 158.7 | 178.4 | 62.6 | 0 | 0 | 0 | 0 | 111 | Q562 N566 K567 C568 | Q562-T564 PolarHBondContact O-N 3.07Å; T564-N566 PolarHBondContact O-N 3.02Å; T564-K567 PolarHBondContact O-N 2.75Å; T564-K567 WeakPolarHBondContact OG1-CB 3.35Å; T564-K567 WeakPolarHBondContact OG1-CG 3.15Å; T564-C568 PolarHBondContact O-N 3.27Å |
| 565 | Q | 70.9 | Confident | 88.8 | Confident | 62 Ų | 62 | 48 Ų | 48 | 29% | 0.29 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 140.9 | 172.7 | 178.3 | 176.6 | -19.9 | 0 | 0 | 111.2 | K567 D592 | Q565-K567 PolarHBondContact O-N 2.81Å; Q565-K567 VanDerWaalsContact O-N 3.1Å; Q565-D592 HydrophobicContact CB-CB 4.49Å; Q565-D592 VanDerWaalsContact CB-OD2 3.3Å; Q565-D592 WeakPolarHBondContact CB-OD2 3.47Å |
| 566 | N | 73.9 | Confident | 88.8 | Confident | 134 Ų | 134 | 44 Ų | 44 | 72% | 0.717 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 3.4 | -176.4 | -52.4 | -18.5 | 0 | 0 | 0 | 116.2 | T564 | T564-N566 PolarHBondContact O-N 3.02Š|
| 567 | K | 85.9 | Confident | 88.9 | Confident | 87 Ų | 87 | 39.2 Ų | 39.2 | 38% | 0.378 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | -77.7 | 172.3 | -73.4 | -63.3 | -159.9 | 172 | 0 | 111.4 | Q562 T564 Q565 | Q562-K567 HydrophobicContact CB-CB 4.03Å; Q562-K567 HydrophobicContact CB-CG 4.3Å; Q562-K567 WeakPolarHBondContact O-CB 3.3Å; T564-K567 PolarHBondContact O-N 2.75Å; T564-K567 WeakPolarHBondContact OG1-CB 3.35Å; T564-K567 WeakPolarHBondContact OG1-CG 3.15Å; Q565-K567 PolarHBondContact O-N 2.81Å; Q565-K567 VanDerWaalsContact O-N 3.1Å |
| 568 | C | 91.5 | Very high | 88.8 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | trans | -134 | 113.8 | 175 | -177.5 | 0 | 0 | 0 | 0 | 110 | V531 K532 Q562 L563 T564 | V531-C568 WeakPolarHBondContact O-CB 3.15Å; K532-C568 WeakPolarHBondContact O-CA 3.43Å; Q562-C568 WeakPolarHBondContact O-CB 3.1Å; Q562-C568 PolarHBondContact O-N 3.31Å; Q562-C568 VanDerWaalsContact O-N 3.14Å; L563-C568 HydrophobicContact CD2-CB 4.09Å; T564-C568 PolarHBondContact O-N 3.27Å | ||
| 569 | Q | 93.3 | Very high | 88.7 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 137.5 | 175.5 | -172 | 175.4 | 15 | 0 | 0 | 110.1 | V406 G409 K410 K532 C533 I534 L571 | V406-Q569 PolarHBondContact O-NE2 2.92Å; G409-Q569 VanDerWaalsContact C-CD 3.41Å; K410-Q569 PolarHBondContact O-NE2 2.77Å; K532-Q569 PolarHBondContact O-N 3.12Å; C533-Q569 CarbonylContact C-O 3.36Å; C533-Q569 WeakPolarHBondContact CA-O 3.01Å; I534-Q569 PolarHBondContact N-O 3.19Å; Q569-L571 HydrophobicContact CG-CD2 3.91Å; Q569-L571 HydrophobicContact CG-CG 4.32Å |
| 570 | L | 96 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.1 | 173.4 | -177 | 55.6 | 0 | 0 | 0 | 109.8 | S411 V412 I534 L536 V572 L589 M590 | S411-L570 WeakPolarHBondContact CA-O 3.42Å; S411-L570 WeakPolarHBondContact CB-O 3.3Å; S411-L570 PolarHBondContact OG-N 2.9Å; S411-L570 VanDerWaalsContact OG-N 3.11Å; S411-L570 PolarHBondContact OG-O 3.27Å; V412-L570 PolarHBondContact N-O 3.34Å; I534-L570 HydrophobicContact CB-CD1 4.12Å; I534-L570 HydrophobicContact CG2-CD1 4.11Å; I534-L570 WeakPolarHBondContact O-CA 3.2Å; L536-L570 HydrophobicContact CD1-CD1 4.24Å; L536-L570 HydrophobicContact CG-CD1 4.31Å; L570-V572 HydrophobicContact CD1-CG2 4.18Å; L570-V572 HydrophobicContact CD2-CG2 4.44Å; L570-V572 HydrophobicContact CG-CG2 3.93Å; L570-L589 HydrophobicContact CD2-CB 3.69Å; L570-L589 HydrophobicContact CD2-CD1 4.29Å; L570-M590 HydrophobicContact CB-CG 4.2Å; L570-M590 HydrophobicContact CD2-CG 3.72Å; L570-M590 HydrophobicContact CD2-SD 4.3Å; L570-M590 HydrophobicContact CG-CE 4.36Å; L570-M590 HydrophobicContact CG-CG 4.14Å; L570-M590 HydrophobicContact CG-SD 4.45Å; L570-M590 WeakPolarHBondContact O-CE 3.4Å |
| 571 | L | 97.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121.5 | -178.4 | -53.9 | 171.5 | 0 | 0 | 0 | 108.2 | V406 V412 Y426 V430 C533 I534 A535 L536 Q569 | V406-L571 HydrophobicContact CG1-CD2 4.05Å; V406-L571 HydrophobicContact CG2-CD2 4.18Å; V412-L571 HydrophobicContact CG1-CD2 3.75Å; Y426-L571 HydrophobicContact CD1-CB 4.48Å; Y426-L571 HydrophobicContact CD2-CB 4.24Å; Y426-L571 HydrophobicContact CD2-CD1 3.74Å; Y426-L571 HydrophobicContact CE2-CB 4.49Å; Y426-L571 HydrophobicContact CG-CB 4.24Å; Y426-L571 HydrophobicContact CG-CD1 3.96Å; Y426-L571 HydrophobicContact CG-CG 4.49Å; V430-L571 HydrophobicContact CG2-CD1 3.32Å; C533-L571 WeakPolarHBondContact SG-CD1 3.49Å; I534-L571 PolarHBondContact O-N 2.93Å; A535-L571 CarbonylContact C-O 3.46Å; A535-L571 WeakPolarHBondContact CA-O 3.42Å; A535-L571 HydrophobicContact CB-CB 4.21Å; A535-L571 HydrophobicContact CB-CD1 4.39Å; L536-L571 PolarHBondContact N-O 3.13Å; Q569-L571 HydrophobicContact CG-CD2 3.91Å; Q569-L571 HydrophobicContact CG-CG 4.32Å |
| 572 | V | 97.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.9 | -176 | -173 | 0 | 0 | 0 | 0 | 110.1 | V412 L413 V414 L536 L539 L570 I586 M590 | V412-V572 PolarHBondContact O-N 3.19Å; L413-V572 CarbonylContact C-O 3.59Å; L413-V572 WeakPolarHBondContact CA-O 3.44Å; L413-V572 HydrophobicContact CD1-CB 3.72Å; L413-V572 HydrophobicContact CD1-CG1 3.6Å; V414-V572 PolarHBondContact N-O 3.32Å; L536-V572 HydrophobicContact CB-CG2 4.45Å; L536-V572 HydrophobicContact CD1-CG2 4.4Å; L539-V572 HydrophobicContact CB-CG1 4.13Å; L539-V572 HydrophobicContact CD2-CG1 3.8Å; L570-V572 HydrophobicContact CD1-CG2 4.18Å; L570-V572 HydrophobicContact CD2-CG2 4.44Å; L570-V572 HydrophobicContact CG-CG2 3.93Å; V572-I586 HydrophobicContact CB-CG2 4.48Å; V572-I586 HydrophobicContact CG1-CG2 4.37Å; V572-I586 HydrophobicContact CG2-CG2 4.01Å; V572-M590 HydrophobicContact CB-CE 4.42Å; V572-M590 HydrophobicContact CG2-CE 3.95Å; V572-M590 HydrophobicContact CG2-SD 4.07Å |
| 573 | S | 96.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.9 | 178.4 | 147.7 | 0 | 0 | 0 | 0 | 110 | V414 K422 L536 D537 N538 L539 | V414-S573 CarbonylContact O-C 3.5Å; V414-S573 WeakPolarHBondContact O-CA 3.44Å; K422-S573 WeakPolarHBondContact CB-OG 3.43Å; K422-S573 WeakPolarHBondContact CD-OG 3.36Å; K422-S573 WeakPolarHBondContact CE-OG 3.38Å; L536-S573 PolarHBondContact O-N 3.34Å; D537-S573 WeakPolarHBondContact OD1-CB 3.32Å; D537-S573 PolarHBondContact OD1-OG 3.14Å; N538-S573 CarbonylContact C-O 3.56Å; N538-S573 WeakPolarHBondContact CA-O 3.47Å; N538-S573 PolarHBondContact N-O 3.38Å; N538-S573 PolarHBondContact N-OG 2.83Å; L539-S573 PolarHBondContact N-O 3.26Å |
| 574 | G | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 161.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | V414 G416 K422 N540 | V414-G574 PolarHBondContact O-N 3.43Å; G416-G574 PolarHBondContact N-O 2.86Å; G416-G574 VanDerWaalsContact N-O 3.1Å; G416-G574 VanDerWaalsContact O-O 3.1Å; K422-G574 WeakPolarHBondContact CD-O 3.31Å; K422-G574 WeakPolarHBondContact CE-O 3.36Å; K422-G574 PolarHBondContact NZ-O 3.36Å; N540-G574 WeakPolarHBondContact OD1-CA 3.47Å |
| 575 | R | 91.2 | Very high | 89.3 | Confident | 71 Ų | 71 | 33.3 Ų | 33.3 | 27% | 0.268 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -95.6 | -31.3 | 169.1 | -57.9 | -170.8 | -163.1 | -158.6 | 8.1 | 112.8 | G416 N540 D541 | G416-R575 WeakPolarHBondContact O-CA 3.4Å; N540-R575 PolarHBondContact OD1-N 2.77Å; D541-R575 IonicContact OD1-CZ 3.89Å; D541-R575 IonicContact OD1-NE 3.42Å; D541-R575 PolarHBondContact OD1-NE 3.03Å; D541-R575 IonicContact OD1-NH2 2.89Å; D541-R575 PolarHBondContact OD1-NH2 2.92Å; D541-R575 IonicContact OD2-CZ 3.44Å; D541-R575 IonicContact OD2-NE 3.04Å; D541-R575 PolarHBondContact OD2-NE 3.19Å; D541-R575 IonicContact OD2-NH2 2.91Å; D541-R575 PolarHBondContact OD2-NH2 2.98Å |
| 576 | I | 91.7 | Very high | 90.3 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 14% | 0.138 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -139 | 138.3 | -164.2 | -56.5 | 162.4 | 0 | 0 | 0 | 109.4 | N540 H578 E602 K762 H763 | N540-I576 PolarHBondContact ND2-O 3.21Å; N540-I576 PolarHBondContact OD1-N 3.24Å; N540-I576 VanDerWaalsContact OD1-N 3.12Å; N540-I576 PolarHBondContact OD1-O 2.78Å; I576-H578 WeakPolarHBondContact CG2-CD2 3.46Å; I576-H578 PolarHBondContact O-N 2.99Å; I576-H578 VanDerWaalsContact O-N 3.11Å; I576-E602 VanDerWaalsContact CA-OE2 3.28Å; I576-E602 WeakPolarHBondContact CA-OE2 3.25Å; I576-E602 WeakPolarHBondContact CG2-OE2 3.37Å; I576-K762 HydrophobicContact CD1-CD 3.95Å; I576-K762 HydrophobicContact CD1-CG 4.45Å; I576-H763 WeakPolarHBondContact CG2-CE1 3.43Å; I576-H763 WeakPolarHBondContact CG2-NE2 3.33Å |
| 577 | W | 92.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | trans | -79.6 | 80.6 | 173 | -172.6 | -95.7 | 0 | 0 | 0 | 111.8 | L413 V415 T579 M582 V583 L587 V595 F597 E602 Y606 H763 | L413-W577 HydrophobicContact CD2-CH2 4.12Å; L413-W577 HydrophobicContact CD2-CZ3 3.66Å; V415-W577 HydrophobicContact CG2-CE3 4.13Å; W577-T579 VanDerWaalsContact CD1-OG1 3.28Å; W577-T579 PolarHBondContact NE1-OG1 3.28Å; W577-T579 PolarHBondContact O-N 2.7Å; W577-M582 HydrophobicContact CD2-CB 4.41Å; W577-M582 HydrophobicContact CD2-CG 4.17Å; W577-M582 HydrophobicContact CE3-CB 4.35Å; W577-M582 HydrophobicContact CE3-CG 3.97Å; W577-M582 HydrophobicContact CH2-CB 3.73Å; W577-M582 HydrophobicContact CH2-CG 4.23Å; W577-M582 HydrophobicContact CZ2-CB 3.73Å; W577-M582 HydrophobicContact CZ2-CG 4.37Å; W577-M582 HydrophobicContact CZ3-CB 4.05Å; W577-M582 HydrophobicContact CZ3-CG 4.03Å; W577-V583 HydrophobicContact CZ2-CG2 4.48Å; W577-L587 HydrophobicContact CH2-CD1 4.04Å; W577-L587 HydrophobicContact CZ2-CD1 4.43Å; W577-V595 HydrophobicContact CH2-CG1 4.43Å; W577-V595 HydrophobicContact CZ3-CG1 3.95Å; W577-F597 HydrophobicContact CB-CE1 4.2Å; W577-F597 AromaticContact CD2-CE1 3.84Å; W577-F597 HydrophobicContact CD2-CE1 3.84Å; W577-F597 AromaticContact CD2-CZ 3.89Å; W577-F597 HydrophobicContact CD2-CZ 3.89Å; W577-F597 AromaticContact CE3-CE1 3.4Å; W577-F597 HydrophobicContact CE3-CE1 3.4Å; W577-F597 VanDerWaalsContact CE3-CE1 3.4Å; W577-F597 AromaticContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CG-CE1 4.16Å; W577-F597 HydrophobicContact CH2-CZ 4.25Å; W577-F597 HydrophobicContact CZ3-CE1 4.06Å; W577-F597 AromaticContact CZ3-CZ 3.57Å; W577-F597 HydrophobicContact CZ3-CZ 3.57Å; W577-E602 HydrophobicContact CB-CB 4.5Å; W577-E602 PolarHBondContact N-OE2 2.92Å; W577-Y606 HydrophobicContact CD2-CD2 4.45Å; W577-Y606 AromaticContact CE2-CD2 3.76Å; W577-Y606 AromaticContact CH2-CD2 3.91Å; W577-Y606 HydrophobicContact CH2-CD2 3.91Å; W577-Y606 HydrophobicContact CH2-CE2 4.25Å; W577-Y606 AromaticContact CZ2-CD2 3.48Å; W577-Y606 HydrophobicContact CZ2-CD2 3.48Å; W577-Y606 VanDerWaalsContact CZ2-CD2 3.48Å; W577-Y606 HydrophobicContact CZ2-CE2 4.08Å; W577-Y606 HydrophobicContact CZ2-CG 4.45Å; W577-H763 PolarHBondContact O-CE1 2.95Å; W577-H763 VanDerWaalsContact O-CE1 3.27Å; W577-H763 PolarHBondContact O-ND1 2.99Å | ||
| 578 | H | 88.4 | Confident | 91.3 | Very high | 30 Ų | 30 | 24.6 Ų | 24.6 | 14% | 0.139 | 13% | 0.125 | C | C | . | . | trans | -75.2 | 95.7 | 171.2 | -72.6 | -122.4 | 0 | 0 | 0 | 109 | N540 I576 D580 L581 M582 | N540-H578 PolarHBondContact ND2-CD2 3.33Å; I576-H578 WeakPolarHBondContact CG2-CD2 3.46Å; I576-H578 PolarHBondContact O-N 2.99Å; I576-H578 VanDerWaalsContact O-N 3.11Å; H578-D580 PolarHBondContact O-N 3.39Å; H578-L581 HydrophobicContact CB-CB 3.95Å; H578-L581 HydrophobicContact CB-CD2 4.3Å; H578-L581 WeakPolarHBondContact O-CB 3.44Å; H578-L581 PolarHBondContact O-N 3.37Å; H578-L581 VanDerWaalsContact O-N 3.1Å; H578-M582 WeakPolarHBondContact O-CG 3.39Å; H578-M582 PolarHBondContact O-N 3.44Å | ||
| 579 | T | 87.4 | Confident | 91.2 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 15% | 0.153 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -50.1 | -52.7 | -170.3 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | V342 W577 L581 M582 V583 | V342-T579 HydrophobicContact CB-CG2 3.73Å; V342-T579 HydrophobicContact CG1-CG2 3.96Å; V342-T579 HydrophobicContact CG2-CG2 3.87Å; W577-T579 VanDerWaalsContact CD1-OG1 3.28Å; W577-T579 PolarHBondContact NE1-OG1 3.28Å; W577-T579 PolarHBondContact O-N 2.7Å; T579-L581 VanDerWaalsContact C-N 3.35Å; T579-L581 PolarHBondContact O-N 3.16Å; T579-M582 PolarHBondContact O-N 3.26Å; T579-V583 HydrophobicContact CG2-CG2 3.95Å; T579-V583 VanDerWaalsContact O-CB 3.23Å; T579-V583 WeakPolarHBondContact O-CB 3.17Å; T579-V583 WeakPolarHBondContact O-CG2 3.36Å; T579-V583 PolarHBondContact O-N 3.08Å |
| 580 | D | 84.7 | Confident | 91.1 | Very high | 39 Ų | 39 | 25.1 Ų | 25.1 | 21% | 0.209 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.3 | -50 | 179.2 | -39.2 | -26.9 | 0 | 0 | 0 | 111.8 | H578 Q584 K764 R1018 | H578-D580 PolarHBondContact O-N 3.39Å; D580-Q584 WeakPolarHBondContact O-CB 3.45Å; D580-Q584 WeakPolarHBondContact O-CG 3.42Å; D580-Q584 PolarHBondContact O-N 3.48Å; D580-K764 WeakPolarHBondContact OD2-CD 3.08Å; D580-K764 WeakPolarHBondContact OD2-CE 3.46Å; D580-K764 IonicContact OD2-NZ 3.8Å; D580-K764 PolarHBondContact OD2-NZ 3.09Å; D580-R1018 IonicContact OD2-NH2 3.46Å |
| 581 | L | 88.8 | Confident | 90.4 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -49.9 | -178.1 | 176.8 | 68.6 | 0 | 0 | 0 | 111 | L539 V543 M551 L554 H578 T579 H585 I586 | L539-L581 HydrophobicContact CD2-CD2 4.03Å; L539-L581 HydrophobicContact CD2-CG 4.4Å; L539-L581 HydrophobicContact CG-CD2 4.22Å; V543-L581 HydrophobicContact CG2-CD1 4.26Å; V543-L581 HydrophobicContact CG2-CD2 3.86Å; M551-L581 HydrophobicContact CE-CD1 4.33Å; M551-L581 HydrophobicContact SD-CD1 3.86Å; L554-L581 HydrophobicContact CD1-CD1 3.75Å; H578-L581 HydrophobicContact CB-CB 3.95Å; H578-L581 HydrophobicContact CB-CD2 4.3Å; H578-L581 WeakPolarHBondContact O-CB 3.44Å; H578-L581 PolarHBondContact O-N 3.37Å; H578-L581 VanDerWaalsContact O-N 3.1Å; T579-L581 VanDerWaalsContact C-N 3.35Å; T579-L581 PolarHBondContact O-N 3.16Å; L581-H585 WeakPolarHBondContact O-CB 3.2Å; L581-H585 PolarHBondContact O-N 3.1Å; L581-I586 HydrophobicContact CG-CG1 4.49Å; L581-I586 PolarHBondContact O-N 3.01Å |
| 582 | M | 90.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -68.3 | -43.8 | -176.4 | -60.7 | -57 | 176 | 0 | 0 | 111.2 | L413 L539 W577 H578 T579 I586 L587 | L413-M582 HydrophobicContact CD1-CE 4.47Å; L413-M582 HydrophobicContact CD1-SD 4.06Å; L413-M582 HydrophobicContact CD2-SD 4.1Å; L539-M582 HydrophobicContact CD2-CE 4.41Å; W577-M582 HydrophobicContact CD2-CB 4.41Å; W577-M582 HydrophobicContact CD2-CG 4.17Å; W577-M582 HydrophobicContact CE3-CB 4.35Å; W577-M582 HydrophobicContact CE3-CG 3.97Å; W577-M582 HydrophobicContact CH2-CB 3.73Å; W577-M582 HydrophobicContact CH2-CG 4.23Å; W577-M582 HydrophobicContact CZ2-CB 3.73Å; W577-M582 HydrophobicContact CZ2-CG 4.37Å; W577-M582 HydrophobicContact CZ3-CB 4.05Å; W577-M582 HydrophobicContact CZ3-CG 4.03Å; H578-M582 WeakPolarHBondContact O-CG 3.39Å; H578-M582 PolarHBondContact O-N 3.44Å; T579-M582 PolarHBondContact O-N 3.26Å; M582-I586 PolarHBondContact O-N 3.15Å; M582-I586 HydrophobicContact SD-CB 4.4Å; M582-I586 HydrophobicContact SD-CG1 4.21Å; M582-I586 HydrophobicContact SD-CG2 4.49Å; M582-L587 WeakPolarHBondContact O-CB 3.47Å; M582-L587 VanDerWaalsContact O-CG 3.26Å; M582-L587 WeakPolarHBondContact O-CG 3.36Å; M582-L587 PolarHBondContact O-N 3.49Å |
| 583 | V | 87.1 | Confident | 89.5 | Confident | 25 Ų | 25 | 29 Ų | 29 | 15% | 0.152 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -76.3 | -43.7 | -175 | 174.3 | 0 | 0 | 0 | 0 | 112.7 | P344 W577 T579 P588 | P344-V583 HydrophobicContact CB-CG1 3.78Å; P344-V583 HydrophobicContact CG-CB 4.43Å; P344-V583 HydrophobicContact CG-CG1 3.73Å; P344-V583 HydrophobicContact CG-CG2 3.74Å; W577-V583 HydrophobicContact CZ2-CG2 4.48Å; T579-V583 HydrophobicContact CG2-CG2 3.95Å; T579-V583 VanDerWaalsContact O-CB 3.23Å; T579-V583 WeakPolarHBondContact O-CB 3.17Å; T579-V583 WeakPolarHBondContact O-CG2 3.36Å; T579-V583 PolarHBondContact O-N 3.08Å; V583-P588 WeakPolarHBondContact O-CD 3.38Å; V583-P588 WeakPolarHBondContact O-CG 3.4Å |
| 584 | Q | 86.4 | Confident | 89.4 | Confident | 121 Ų | 121 | 29 Ų | 29 | 57% | 0.565 | 15% | 0.152 | S | C | * | . | I | π-helix | trans | -90.6 | -24.8 | -170.9 | -57.6 | 175.6 | -4.8 | 0 | 0 | 113 | D580 | D580-Q584 WeakPolarHBondContact O-CB 3.45Å; D580-Q584 WeakPolarHBondContact O-CG 3.42Å; D580-Q584 PolarHBondContact O-N 3.48Å |
| 585 | H | 89.1 | Confident | 89.4 | Confident | 57 Ų | 57 | 29.1 Ų | 29.1 | 26% | 0.264 | 15% | 0.152 | S | C | . | . | I | π-helix | trans | -127.4 | -20 | -170.3 | -56.6 | -72 | 0 | 0 | 0 | 115.7 | M551 L554 L581 L589 | M551-H585 HydrophobicContact CE-CB 4.18Å; M551-H585 WeakPolarHBondContact CE-CD2 3.41Å; M551-H585 WeakPolarHBondContact CE-NE2 3.32Å; L554-H585 HydrophobicContact CD1-CB 4.2Å; L581-H585 WeakPolarHBondContact O-CB 3.2Å; L581-H585 PolarHBondContact O-N 3.1Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.45Å |
| 586 | I | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -105.7 | -59.8 | -177.5 | -61.2 | -61.8 | 0 | 0 | 0 | 112 | L539 L554 V572 L581 M582 L589 M590 | L539-I586 HydrophobicContact CD2-CD1 3.53Å; L539-I586 HydrophobicContact CD2-CG1 3.72Å; L554-I586 HydrophobicContact CD1-CD1 3.79Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.31Å; V572-I586 HydrophobicContact CB-CG2 4.48Å; V572-I586 HydrophobicContact CG1-CG2 4.37Å; V572-I586 HydrophobicContact CG2-CG2 4.01Å; L581-I586 HydrophobicContact CG-CG1 4.49Å; L581-I586 PolarHBondContact O-N 3.01Å; M582-I586 PolarHBondContact O-N 3.15Å; M582-I586 HydrophobicContact SD-CB 4.4Å; M582-I586 HydrophobicContact SD-CG1 4.21Å; M582-I586 HydrophobicContact SD-CG2 4.49Å; I586-L589 WeakPolarHBondContact O-CA 3.13Å; I586-L589 WeakPolarHBondContact O-CB 3.46Å; I586-L589 PolarHBondContact O-N 3.07Å; I586-M590 HydrophobicContact CG2-SD 3.44Å; I586-M590 WeakPolarHBondContact CG2-SD 3.27Å; I586-M590 WeakPolarHBondContact O-CG 3.43Å |
| 587 | L | 90.6 | Very high | 89.8 | Confident | 11 Ų | 11 | 24.5 Ų | 24.5 | 6% | 0.058 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -60.3 | -31.6 | -177 | -64.6 | 171.4 | 0 | 0 | 0 | 115 | F345 L413 W577 M582 L589 M590 V593 V595 | F345-L587 HydrophobicContact CE2-CD1 3.49Å; F345-L587 VanDerWaalsContact CE2-CD1 3.49Å; F345-L587 HydrophobicContact CZ-CB 3.91Å; F345-L587 HydrophobicContact CZ-CD1 3.66Å; F345-L587 HydrophobicContact CZ-CG 4.39Å; L413-L587 HydrophobicContact CD2-CD2 3.93Å; W577-L587 HydrophobicContact CH2-CD1 4.04Å; W577-L587 HydrophobicContact CZ2-CD1 4.43Å; M582-L587 WeakPolarHBondContact O-CB 3.47Å; M582-L587 VanDerWaalsContact O-CG 3.26Å; M582-L587 WeakPolarHBondContact O-CG 3.36Å; M582-L587 PolarHBondContact O-N 3.49Å; L587-L589 PolarHBondContact O-N 2.92Å; L587-M590 PolarHBondContact O-N 3.24Å; L587-V593 HydrophobicContact CD2-CG1 4.04Å; L587-V593 HydrophobicContact CD2-CG2 4.3Å; L587-V595 HydrophobicContact CD2-CG2 4.01Å |
| 588 | P | 89.3 | Confident | 89.9 | Confident | 88 Ų | 88 | 26.7 Ų | 26.7 | 57% | 0.571 | 15% | 0.145 | S | C | * | . | G | 310 helix | trans | -61.1 | -24 | 172.1 | -25.4 | 36.9 | 0 | 0 | 0 | 113.5 | V583 M590 | V583-P588 WeakPolarHBondContact O-CD 3.38Å; V583-P588 WeakPolarHBondContact O-CG 3.4Å; P588-M590 VanDerWaalsContact C-N 3.31Å |
| 589 | L | 89.7 | Confident | 90.1 | Very high | 22 Ų | 22 | 25.4 Ų | 25.4 | 12% | 0.115 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -88.8 | 6 | 176.8 | -49 | -177 | 0 | 0 | 0 | 112.9 | P558 L563 L570 H585 I586 L587 | P558-L589 HydrophobicContact CB-CD2 3.88Å; P558-L589 HydrophobicContact CG-CD2 3.89Å; L563-L589 HydrophobicContact CD1-CB 3.94Å; L563-L589 HydrophobicContact CD1-CD1 4.1Å; L563-L589 HydrophobicContact CD1-CD2 4.24Å; L563-L589 HydrophobicContact CD1-CG 4.33Å; L570-L589 HydrophobicContact CD2-CB 3.69Å; L570-L589 HydrophobicContact CD2-CD1 4.29Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.45Å; I586-L589 WeakPolarHBondContact O-CA 3.13Å; I586-L589 WeakPolarHBondContact O-CB 3.46Å; I586-L589 PolarHBondContact O-N 3.07Å; L587-L589 PolarHBondContact O-N 2.92Å |
| 590 | M | 90.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | trans | -138.4 | 67.6 | -170.6 | -52.1 | 174.7 | 85.5 | 0 | 0 | 111.1 | V412 L413 L570 V572 I586 L587 P588 D592 V593 | V412-M590 VanDerWaalsContact O-CE 3.25Å; V412-M590 WeakPolarHBondContact O-CE 3.29Å; L413-M590 HydrophobicContact CB-CE 4.2Å; L570-M590 HydrophobicContact CB-CG 4.2Å; L570-M590 HydrophobicContact CD2-CG 3.72Å; L570-M590 HydrophobicContact CD2-SD 4.3Å; L570-M590 HydrophobicContact CG-CE 4.36Å; L570-M590 HydrophobicContact CG-CG 4.14Å; L570-M590 HydrophobicContact CG-SD 4.45Å; L570-M590 WeakPolarHBondContact O-CE 3.4Å; V572-M590 HydrophobicContact CB-CE 4.42Å; V572-M590 HydrophobicContact CG2-CE 3.95Å; V572-M590 HydrophobicContact CG2-SD 4.07Å; I586-M590 HydrophobicContact CG2-SD 3.44Å; I586-M590 WeakPolarHBondContact CG2-SD 3.27Å; I586-M590 WeakPolarHBondContact O-CG 3.43Å; L587-M590 PolarHBondContact O-N 3.24Å; P588-M590 VanDerWaalsContact C-N 3.31Å; M590-D592 VanDerWaalsContact C-N 3.29Å; M590-D592 PolarHBondContact O-N 3.36Å; M590-V593 HydrophobicContact CB-CB 3.81Å; M590-V593 HydrophobicContact CB-CG2 4.18Å; M590-V593 HydrophobicContact CE-CG2 3.84Å; M590-V593 WeakPolarHBondContact O-CB 3.34Å; M590-V593 WeakPolarHBondContact O-CG1 3.08Å; M590-V593 PolarHBondContact O-N 3.42Å; M590-V593 HydrophobicContact SD-CG2 4.21Å | ||
| 591 | P | 81.4 | Confident | 90.9 | Very high | 47 Ų | 47 | 22.7 Ų | 22.7 | 31% | 0.305 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -45.5 | -177.6 | 17.8 | -30.4 | 0 | 0 | 0 | 112.8 | R362 V593 | R362-P591 VanDerWaalsContact CD-O 3.27Å; R362-P591 WeakPolarHBondContact CD-O 3.47Å; R362-P591 PolarHBondContact NE-O 3.4Å; P591-V593 PolarHBondContact O-N 2.92Å |
| 592 | D | 83.8 | Confident | 91.2 | Very high | 31 Ų | 31 | 22.8 Ų | 22.8 | 17% | 0.166 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 30.3 | -171.6 | -52.4 | -70.3 | 0 | 0 | 0 | 113.6 | H363 H405 Q565 M590 | H363-D592 IonicContact CE1-OD1 2.74Å; H363-D592 PolarHBondContact CE1-OD1 2.77Å; H405-D592 PolarHBondContact CE1-O 3.41Å; H405-D592 VanDerWaalsContact CE1-O 3.26Å; H405-D592 PolarHBondContact NE2-O 2.66Å; Q565-D592 HydrophobicContact CB-CB 4.49Å; Q565-D592 VanDerWaalsContact CB-OD2 3.3Å; Q565-D592 WeakPolarHBondContact CB-OD2 3.47Å; M590-D592 VanDerWaalsContact C-N 3.29Å; M590-D592 PolarHBondContact O-N 3.36Å |
| 593 | V | 91.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 139.1 | -172.4 | 67.5 | 0 | 0 | 0 | 0 | 114.3 | W360 S411 L413 L587 M590 P591 V595 | W360-V593 HydrophobicContact CZ3-CG1 3.94Å; S411-V593 WeakPolarHBondContact O-CA 3.29Å; L413-V593 HydrophobicContact CB-CG2 4.09Å; L587-V593 HydrophobicContact CD2-CG1 4.04Å; L587-V593 HydrophobicContact CD2-CG2 4.3Å; M590-V593 HydrophobicContact CB-CB 3.81Å; M590-V593 HydrophobicContact CB-CG2 4.18Å; M590-V593 HydrophobicContact CE-CG2 3.84Å; M590-V593 WeakPolarHBondContact O-CB 3.34Å; M590-V593 WeakPolarHBondContact O-CG1 3.08Å; M590-V593 PolarHBondContact O-N 3.42Å; M590-V593 HydrophobicContact SD-CG2 4.21Å; P591-V593 PolarHBondContact O-N 2.92Å; V593-V595 HydrophobicContact CG1-CG2 4.08Å; V593-V595 HydrophobicContact CG2-CG2 3.86Å |
| 594 | L | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.8 | 154.1 | 169 | 66.5 | 0 | 0 | 0 | 108.3 | W360 V365 F401 H405 S411 V412 L413 L596 | W360-L594 WeakPolarHBondContact O-CA 3.45Å; V365-L594 HydrophobicContact CG1-CD2 4.42Å; V365-L594 HydrophobicContact CG2-CD1 4.29Å; V365-L594 HydrophobicContact CG2-CD2 4.37Å; F401-L594 HydrophobicContact CB-CD2 4.06Å; F401-L594 WeakPolarHBondContact O-CD2 3.36Å; H405-L594 HydrophobicContact CB-CB 4.49Å; H405-L594 HydrophobicContact CB-CD2 3.66Å; H405-L594 VanDerWaalsContact CD2-CB 3.46Å; H405-L594 WeakPolarHBondContact CD2-CB 3.23Å; H405-L594 WeakPolarHBondContact NE2-CB 3.37Å; H405-L594 PolarHBondContact NE2-N 3.17Å; S411-L594 PolarHBondContact O-N 3.47Å; V412-L594 WeakPolarHBondContact CA-O 3.49Å; V412-L594 HydrophobicContact CG2-CB 4.23Å; V412-L594 HydrophobicContact CG2-CD2 4.26Å; V412-L594 HydrophobicContact CG2-CG 4.28Å; V412-L594 WeakPolarHBondContact CG2-O 3.48Å; L413-L594 PolarHBondContact N-O 3.28Å; L594-L596 HydrophobicContact CD1-CD2 3.76Å; L594-L596 HydrophobicContact CD1-CG 4.3Å; L594-L596 HydrophobicContact CD2-CD1 4.12Å; L594-L596 HydrophobicContact CD2-CD2 4.13Å; L594-L596 HydrophobicContact CD2-CG 4.17Å; L594-L596 HydrophobicContact CG-CD1 4.4Å; L594-L596 HydrophobicContact CG-CD2 3.93Å; L594-L596 HydrophobicContact CG-CG 3.93Å |
| 595 | V | 95.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131 | 172.5 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | G359 W360 L413 W577 L587 V593 F597 | G359-V595 CarbonylContact C-O 3.6Å; G359-V595 VanDerWaalsContact CA-O 3.29Å; G359-V595 WeakPolarHBondContact CA-O 3.1Å; W360-V595 HydrophobicContact CE3-CG2 4.21Å; W360-V595 PolarHBondContact N-O 3.37Å; W360-V595 PolarHBondContact O-N 3Å; L413-V595 HydrophobicContact CB-CG2 4.44Å; L413-V595 HydrophobicContact CD2-CG1 4.24Å; L413-V595 HydrophobicContact CD2-CG2 4.43Å; L413-V595 HydrophobicContact CG-CG1 4.31Å; L413-V595 CarbonylContact O-C 3.55Å; L413-V595 WeakPolarHBondContact O-CA 3.33Å; W577-V595 HydrophobicContact CH2-CG1 4.43Å; W577-V595 HydrophobicContact CZ3-CG1 3.95Å; L587-V595 HydrophobicContact CD2-CG2 4.01Å; V593-V595 HydrophobicContact CG1-CG2 4.08Å; V593-V595 HydrophobicContact CG2-CG2 3.86Å; V595-F597 HydrophobicContact CG1-CD2 4.2Å; V595-F597 HydrophobicContact CG1-CE2 3.49Å; V595-F597 VanDerWaalsContact CG1-CE2 3.49Å; V595-F597 HydrophobicContact CG1-CZ 3.9Å |
| 596 | L | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.7 | 179.6 | -62.9 | 176.8 | 0 | 0 | 0 | 110.9 | V357 V398 F401 A402 V412 L413 V414 V415 L594 | V357-L596 HydrophobicContact CG1-CB 4.34Å; V357-L596 HydrophobicContact CG1-CD2 3.97Å; V398-L596 HydrophobicContact CB-CD1 4.15Å; V398-L596 HydrophobicContact CG1-CB 4.28Å; V398-L596 WeakPolarHBondContact O-CD1 3.39Å; F401-L596 HydrophobicContact CB-CD1 4.06Å; F401-L596 HydrophobicContact CB-CD2 3.77Å; F401-L596 HydrophobicContact CD2-CD2 4.31Å; F401-L596 HydrophobicContact CG-CD2 4.15Å; A402-L596 HydrophobicContact CB-CD1 3.91Å; V412-L596 HydrophobicContact CG2-CD1 4.46Å; L413-L596 PolarHBondContact O-N 3.44Å; V414-L596 HydrophobicContact CG1-CB 4.42Å; V414-L596 HydrophobicContact CG2-CD1 4.34Å; V415-L596 PolarHBondContact N-O 3.12Å; L594-L596 HydrophobicContact CD1-CD2 3.76Å; L594-L596 HydrophobicContact CD1-CG 4.3Å; L594-L596 HydrophobicContact CD2-CD1 4.12Å; L594-L596 HydrophobicContact CD2-CD2 4.13Å; L594-L596 HydrophobicContact CD2-CG 4.17Å; L594-L596 HydrophobicContact CG-CD1 4.4Å; L594-L596 HydrophobicContact CG-CD2 3.93Å; L594-L596 HydrophobicContact CG-CG 3.93Å |
| 597 | F | 95.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115.7 | 171.2 | -58.7 | -97.4 | 0 | 0 | 0 | 110.1 | V357 L358 V415 W577 V595 E602 A603 Y606 | V357-F597 WeakPolarHBondContact CA-O 3.43Å; L358-F597 HydrophobicContact CB-CB 4.33Å; L358-F597 HydrophobicContact CD2-CD2 4.12Å; L358-F597 PolarHBondContact N-O 2.82Å; L358-F597 PolarHBondContact O-N 2.91Å; V415-F597 HydrophobicContact CB-CD1 4.06Å; V415-F597 HydrophobicContact CB-CE1 4.32Å; V415-F597 HydrophobicContact CG1-CD1 4.22Å; V415-F597 HydrophobicContact CG1-CE1 4.44Å; V415-F597 WeakPolarHBondContact O-CA 3.19Å; W577-F597 HydrophobicContact CB-CE1 4.2Å; W577-F597 AromaticContact CD2-CE1 3.84Å; W577-F597 HydrophobicContact CD2-CE1 3.84Å; W577-F597 AromaticContact CD2-CZ 3.89Å; W577-F597 HydrophobicContact CD2-CZ 3.89Å; W577-F597 AromaticContact CE3-CE1 3.4Å; W577-F597 HydrophobicContact CE3-CE1 3.4Å; W577-F597 VanDerWaalsContact CE3-CE1 3.4Å; W577-F597 AromaticContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CE3-CZ 3.38Å; W577-F597 HydrophobicContact CG-CE1 4.16Å; W577-F597 HydrophobicContact CH2-CZ 4.25Å; W577-F597 HydrophobicContact CZ3-CE1 4.06Å; W577-F597 AromaticContact CZ3-CZ 3.57Å; W577-F597 HydrophobicContact CZ3-CZ 3.57Å; V595-F597 HydrophobicContact CG1-CD2 4.2Å; V595-F597 HydrophobicContact CG1-CE2 3.49Å; V595-F597 VanDerWaalsContact CG1-CE2 3.49Å; V595-F597 HydrophobicContact CG1-CZ 3.9Å; F597-E602 HydrophobicContact CD1-CB 4.31Å; F597-A603 HydrophobicContact CB-CB 3.72Å; F597-A603 HydrophobicContact CD1-CB 4.06Å; F597-A603 HydrophobicContact CD2-CB 4.36Å; F597-A603 HydrophobicContact CG-CB 3.82Å; F597-Y606 HydrophobicContact CE1-CG 4.32Å; F597-Y606 AromaticContact CE2-CD1 3.62Å; F597-Y606 HydrophobicContact CE2-CD1 3.62Å; F597-Y606 HydrophobicContact CE2-CD2 4.37Å; F597-Y606 HydrophobicContact CE2-CE1 4.04Å; F597-Y606 AromaticContact CE2-CG 3.8Å; F597-Y606 HydrophobicContact CE2-CG 3.8Å; F597-Y606 VanDerWaalsContact CZ-CB 3.45Å; F597-Y606 AromaticContact CZ-CD1 3.76Å; F597-Y606 HydrophobicContact CZ-CD1 3.76Å; F597-Y606 AromaticContact CZ-CD2 3.91Å; F597-Y606 HydrophobicContact CZ-CD2 3.91Å; F597-Y606 HydrophobicContact CZ-CE1 4.48Å; F597-Y606 AromaticContact CZ-CG 3.42Å; F597-Y606 HydrophobicContact CZ-CG 3.42Å; F597-Y606 VanDerWaalsContact CZ-CG 3.42Å |
| 598 | D | 93.1 | Very high | 91 | Very high | 48 Ų | 48 | 15.8 Ų | 15.8 | 26% | 0.257 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -83.9 | -23.6 | 166.5 | -165.7 | 85.8 | 0 | 0 | 0 | 111.3 | V357 V398 V415 I420 | V357-D598 HydrophobicContact CG2-CB 4.41Å; V398-D598 HydrophobicContact CG1-CB 3.8Å; V415-D598 PolarHBondContact O-N 2.88Å; I420-D598 HydrophobicContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CD1-CB 3.46Å; I420-D598 VanDerWaalsContact CG2-OD2 3.32Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.37Å |
| 599 | D | 93.8 | Very high | 91 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.021 | 7% | 0.065 | C | C | . | . | trans | -100 | 112.4 | 178.7 | -162.1 | -57 | 0 | 0 | 0 | 111.5 | N417 L601 E602 A603 K720 | N417-D599 PolarHBondContact ND2-OD2 3.17Å; N417-D599 PolarHBondContact OD1-OD2 2.93Å; D599-L601 VanDerWaalsContact C-N 3.29Å; D599-L601 PolarHBondContact O-N 3.01Å; D599-L601 WeakPolarHBondContact OD1-CB 3.42Å; D599-L601 PolarHBondContact OD1-N 3.29Å; D599-E602 HydrophobicContact CB-CB 4.05Å; D599-E602 HydrophobicContact CB-CG 3.8Å; D599-E602 PolarHBondContact O-N 2.9Å; D599-E602 PolarHBondContact OD1-N 2.73Å; D599-A603 WeakPolarHBondContact O-CB 3.4Å; D599-A603 PolarHBondContact O-N 2.99Å; D599-K720 WeakPolarHBondContact OD2-CE 3.45Å; D599-K720 IonicContact OD2-NZ 3.48Å; D599-K720 PolarHBondContact OD2-NZ 3.49Å | ||
| 600 | A | 93.8 | Very high | 91 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 3% | 0.025 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -71.1 | -21 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S604 F723 S724 Y727 | A600-S604 WeakPolarHBondContact O-CB 3.5Å; A600-S604 PolarHBondContact O-N 3.02Å; A600-S604 VanDerWaalsContact O-N 3.16Å; A600-S604 PolarHBondContact O-OG 2.89Å; A600-F723 HydrophobicContact CB-CB 4.05Å; A600-F723 WeakPolarHBondContact O-CB 3.46Å; A600-S724 VanDerWaalsContact CB-N 3.32Å; A600-Y727 HydrophobicContact CB-CE1 3.66Å; A600-Y727 WeakPolarHBondContact CB-OH 3.37Å |
| 601 | L | 94.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 13.1 Ų | 13.1 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -75.8 | -43 | 173.8 | 175.6 | 59.7 | 0 | 0 | 0 | 110.1 | D599 A603 S604 V605 W716 K720 F723 F759 | D599-L601 VanDerWaalsContact C-N 3.29Å; D599-L601 PolarHBondContact O-N 3.01Å; D599-L601 WeakPolarHBondContact OD1-CB 3.42Å; D599-L601 PolarHBondContact OD1-N 3.29Å; L601-A603 VanDerWaalsContact C-N 3.31Å; L601-A603 PolarHBondContact O-N 2.92Å; L601-S604 WeakPolarHBondContact O-CA 3.27Å; L601-S604 WeakPolarHBondContact O-CB 3.36Å; L601-S604 PolarHBondContact O-N 3.2Å; L601-V605 PolarHBondContact O-N 3.05Å; L601-V605 VanDerWaalsContact O-N 3.14Å; L601-W716 HydrophobicContact CD2-CH2 4.41Å; L601-W716 HydrophobicContact CD2-CZ2 4.15Å; L601-K720 HydrophobicContact CB-CB 4.01Å; L601-K720 HydrophobicContact CB-CD 4.06Å; L601-K720 HydrophobicContact CB-CG 3.89Å; L601-K720 HydrophobicContact CD2-CD 3.87Å; L601-K720 HydrophobicContact CD2-CG 3.75Å; L601-K720 HydrophobicContact CG-CG 4.47Å; L601-F723 HydrophobicContact CB-CD2 4.17Å; L601-F723 HydrophobicContact CB-CG 4.34Å; L601-F723 HydrophobicContact CD1-CD1 3.9Å; L601-F723 HydrophobicContact CD1-CD2 3.97Å; L601-F723 HydrophobicContact CD1-CE1 3.69Å; L601-F723 HydrophobicContact CD1-CE2 3.78Å; L601-F723 HydrophobicContact CD1-CG 4.04Å; L601-F723 HydrophobicContact CD1-CZ 3.65Å; L601-F759 HydrophobicContact CD1-CE1 4.05Å; L601-F759 HydrophobicContact CD1-CE2 4.09Å; L601-F759 HydrophobicContact CD1-CZ 3.55Å; L601-F759 HydrophobicContact CD2-CD1 4.49Å; L601-F759 HydrophobicContact CD2-CD2 3.73Å; L601-F759 HydrophobicContact CD2-CE1 4.25Å; L601-F759 HydrophobicContact CD2-CE2 3.44Å; L601-F759 VanDerWaalsContact CD2-CE2 3.44Å; L601-F759 HydrophobicContact CD2-CG 4.25Å; L601-F759 HydrophobicContact CD2-CZ 3.72Å; L601-F759 HydrophobicContact CG-CD2 4.23Å; L601-F759 HydrophobicContact CG-CE1 4.26Å; L601-F759 HydrophobicContact CG-CE2 3.41Å; L601-F759 VanDerWaalsContact CG-CE2 3.41Å; L601-F759 HydrophobicContact CG-CZ 3.42Å; L601-F759 VanDerWaalsContact CG-CZ 3.42Å |
| 602 | E | 94.3 | Very high | 91.5 | Very high | 10 Ų | 10 | 12.1 Ų | 12.1 | 5% | 0.047 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 172.5 | -60.2 | -63.3 | 141.6 | 0 | 0 | 111.6 | V415 I576 W577 F597 D599 S604 V605 Y606 F759 H763 | V415-E602 HydrophobicContact CG1-CB 4.26Å; I576-E602 VanDerWaalsContact CA-OE2 3.28Å; I576-E602 WeakPolarHBondContact CA-OE2 3.25Å; I576-E602 WeakPolarHBondContact CG2-OE2 3.37Å; W577-E602 HydrophobicContact CB-CB 4.5Å; W577-E602 PolarHBondContact N-OE2 2.92Å; F597-E602 HydrophobicContact CD1-CB 4.31Å; D599-E602 HydrophobicContact CB-CB 4.05Å; D599-E602 HydrophobicContact CB-CG 3.8Å; D599-E602 PolarHBondContact O-N 2.9Å; D599-E602 PolarHBondContact OD1-N 2.73Å; E602-S604 PolarHBondContact O-N 2.82Å; E602-V605 WeakPolarHBondContact O-CB 3.43Å; E602-V605 PolarHBondContact O-N 3.04Å; E602-V605 VanDerWaalsContact O-N 3.17Å; E602-Y606 PolarHBondContact O-N 3.4Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.44Å; E602-H763 IonicContact OE1-CE1 3.13Å; E602-H763 IonicContact OE1-NE2 2.71Å; E602-H763 PolarHBondContact OE1-NE2 2.89Å; E602-H763 VanDerWaalsContact OE1-NE2 3.12Å; E602-H763 IonicContact OE2-CE1 2.97Å; E602-H763 PolarHBondContact OE2-CE1 3.33Å; E602-H763 IonicContact OE2-NE2 3.27Å; E602-H763 PolarHBondContact OE2-NE2 2.91Å |
| 603 | A | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.5 | -27.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L358 F597 D599 L601 G607 Y727 | L358-A603 HydrophobicContact CB-CB 4.46Å; L358-A603 HydrophobicContact CD2-CB 3.94Å; F597-A603 HydrophobicContact CB-CB 3.72Å; F597-A603 HydrophobicContact CD1-CB 4.06Å; F597-A603 HydrophobicContact CD2-CB 4.36Å; F597-A603 HydrophobicContact CG-CB 3.82Å; D599-A603 WeakPolarHBondContact O-CB 3.4Å; D599-A603 PolarHBondContact O-N 2.99Å; L601-A603 VanDerWaalsContact C-N 3.31Å; L601-A603 PolarHBondContact O-N 2.92Å; A603-G607 PolarHBondContact O-N 3.27Å; A603-Y727 HydrophobicContact CB-CE1 3.92Å |
| 604 | S | 91.7 | Very high | 92 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -83.9 | -18.4 | 178.2 | -62.4 | 0 | 0 | 0 | 0 | 113 | A600 L601 E602 G607 V609 | A600-S604 WeakPolarHBondContact O-CB 3.5Å; A600-S604 PolarHBondContact O-N 3.02Å; A600-S604 VanDerWaalsContact O-N 3.16Å; A600-S604 PolarHBondContact O-OG 2.89Å; L601-S604 WeakPolarHBondContact O-CA 3.27Å; L601-S604 WeakPolarHBondContact O-CB 3.36Å; L601-S604 PolarHBondContact O-N 3.2Å; E602-S604 PolarHBondContact O-N 2.82Å; S604-G607 VanDerWaalsContact O-CA 3.26Å; S604-G607 WeakPolarHBondContact O-CA 3.47Å; S604-V609 WeakPolarHBondContact O-CB 3.34Å; S604-V609 PolarHBondContact O-N 2.93Å |
| 605 | V | 90.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 15.8 Ų | 15.8 | 3% | 0.03 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -72.9 | -48.2 | 165.3 | 178 | 0 | 0 | 0 | 0 | 109.7 | L340 L601 E602 G607 F759 | L340-V605 HydrophobicContact CD2-CB 4.45Å; L340-V605 HydrophobicContact CD2-CG1 3.78Å; L601-V605 PolarHBondContact O-N 3.05Å; L601-V605 VanDerWaalsContact O-N 3.14Å; E602-V605 WeakPolarHBondContact O-CB 3.43Å; E602-V605 PolarHBondContact O-N 3.04Å; E602-V605 VanDerWaalsContact O-N 3.17Å; V605-G607 VanDerWaalsContact C-N 3.33Å; V605-G607 PolarHBondContact O-N 3.3Å; V605-F759 HydrophobicContact CG2-CE1 4.33Å; V605-F759 HydrophobicContact CG2-CE2 4.21Å; V605-F759 HydrophobicContact CG2-CZ 3.49Å; V605-F759 VanDerWaalsContact CG2-CZ 3.49Å |
| 606 | Y | 88.9 | Confident | 91.7 | Very high | 50 Ų | 50 | 15.7 Ų | 15.7 | 20% | 0.196 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -54.6 | -47.1 | 172.8 | 168.2 | -108.2 | 0 | 0 | 0 | 112.1 | L358 W577 F597 E602 G608 | L358-Y606 HydrophobicContact CD2-CD1 4.44Å; W577-Y606 HydrophobicContact CD2-CD2 4.45Å; W577-Y606 AromaticContact CE2-CD2 3.76Å; W577-Y606 AromaticContact CH2-CD2 3.91Å; W577-Y606 HydrophobicContact CH2-CD2 3.91Å; W577-Y606 HydrophobicContact CH2-CE2 4.25Å; W577-Y606 AromaticContact CZ2-CD2 3.48Å; W577-Y606 HydrophobicContact CZ2-CD2 3.48Å; W577-Y606 VanDerWaalsContact CZ2-CD2 3.48Å; W577-Y606 HydrophobicContact CZ2-CE2 4.08Å; W577-Y606 HydrophobicContact CZ2-CG 4.45Å; F597-Y606 HydrophobicContact CE1-CG 4.32Å; F597-Y606 AromaticContact CE2-CD1 3.62Å; F597-Y606 HydrophobicContact CE2-CD1 3.62Å; F597-Y606 HydrophobicContact CE2-CD2 4.37Å; F597-Y606 HydrophobicContact CE2-CE1 4.04Å; F597-Y606 AromaticContact CE2-CG 3.8Å; F597-Y606 HydrophobicContact CE2-CG 3.8Å; F597-Y606 VanDerWaalsContact CZ-CB 3.45Å; F597-Y606 AromaticContact CZ-CD1 3.76Å; F597-Y606 HydrophobicContact CZ-CD1 3.76Å; F597-Y606 AromaticContact CZ-CD2 3.91Å; F597-Y606 HydrophobicContact CZ-CD2 3.91Å; F597-Y606 HydrophobicContact CZ-CE1 4.48Å; F597-Y606 AromaticContact CZ-CG 3.42Å; F597-Y606 HydrophobicContact CZ-CG 3.42Å; F597-Y606 VanDerWaalsContact CZ-CG 3.42Å; E602-Y606 PolarHBondContact O-N 3.4Å; Y606-G608 PolarHBondContact O-N 3.02Å |
| 607 | G | 84.4 | Confident | 91.2 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 4% | 0.041 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 38.1 | -107.1 | 131.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | A603 S604 V605 V738 | A603-G607 PolarHBondContact O-N 3.27Å; S604-G607 VanDerWaalsContact O-CA 3.26Å; S604-G607 WeakPolarHBondContact O-CA 3.47Å; V605-G607 VanDerWaalsContact C-N 3.33Å; V605-G607 PolarHBondContact O-N 3.3Å; G607-V738 VanDerWaalsContact O-CG2 3.28Å; G607-V738 WeakPolarHBondContact O-CG2 3.45Å |
| 608 | G | 85.5 | Confident | 90.8 | Very high | 5 Ų | 5 | 23 Ų | 23 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -75.2 | 110 | -25.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y606 | Y606-G608 PolarHBondContact O-N 3.02Š|
| 609 | V | 88.8 | Confident | 90.5 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | trans | -83.4 | 125.7 | 169.9 | 173.8 | 0 | 0 | 0 | 0 | 107.6 | L340 S604 F726 G739 | L340-V609 WeakPolarHBondContact CD1-O 3.32Å; S604-V609 WeakPolarHBondContact O-CB 3.34Å; S604-V609 PolarHBondContact O-N 2.93Å; V609-F726 HydrophobicContact CG1-CD1 4.46Å; V609-F726 HydrophobicContact CG1-CD2 3.95Å; V609-F726 HydrophobicContact CG1-CE1 4.14Å; V609-F726 HydrophobicContact CG1-CE2 3.59Å; V609-F726 HydrophobicContact CG1-CG 4.37Å; V609-F726 HydrophobicContact CG1-CZ 3.69Å; V609-F726 HydrophobicContact CG2-CB 4.27Å; V609-F726 HydrophobicContact CG2-CD1 4.35Å; V609-F726 HydrophobicContact CG2-CD2 4.2Å; V609-F726 HydrophobicContact CG2-CG 4.04Å; V609-G739 WeakPolarHBondContact CA-O 3.22Å | ||
| 610 | Q | 89.9 | Confident | 90.1 | Very high | 44 Ų | 44 | 28.3 Ų | 28.3 | 21% | 0.206 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 141.5 | 179 | -68.6 | 177.8 | -9.6 | 0 | 0 | 110.9 | P737 G739 Q740 S741 | Q610-P737 HydrophobicContact CG-CB 4.29Å; Q610-G739 PolarHBondContact N-O 2.98Å; Q610-Q740 HydrophobicContact CB-CG 4.25Å; Q610-Q740 CarbonylContact O-C 3.57Å; Q610-Q740 WeakPolarHBondContact O-CA 3.48Å; Q610-S741 PolarHBondContact O-N 3.15Å |
| 611 | L | 91.9 | Very high | 89.9 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.5 | 176.6 | -175.2 | 57.8 | 0 | 0 | 0 | 109.8 | V613 F723 S741 V743 F759 Y760 | L611-V613 HydrophobicContact CG-CG2 4.41Å; L611-F723 HydrophobicContact CD1-CE1 4.46Å; L611-F723 HydrophobicContact CD1-CZ 4.19Å; L611-S741 WeakPolarHBondContact CD1-OG 3.49Å; L611-V743 HydrophobicContact CD1-CG2 3.97Å; L611-F759 HydrophobicContact CD2-CD1 4.34Å; L611-F759 HydrophobicContact CD2-CE1 4.02Å; L611-Y760 HydrophobicContact CD2-CD2 4.44Å; L611-Y760 HydrophobicContact CD2-CE2 3.57Å; L611-Y760 HydrophobicContact CG-CE2 4.11Å; L611-Y760 PolarHBondContact O-OH 3.03Å |
| 612 | D | 91.4 | Very high | 89.6 | Confident | 27 Ų | 27 | 31.8 Ų | 31.8 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.8 | 177 | 171.7 | 9.2 | 0 | 0 | 0 | 107.6 | R614 S741 V742 V743 | D612-R614 WeakPolarHBondContact OD1-CG 3.28Å; D612-R614 IonicContact OD1-NE 3.82Å; D612-R614 PolarHBondContact OD1-NE 3.33Å; D612-R614 IonicContact OD2-CZ 3.64Å; D612-R614 VanDerWaalsContact OD2-CZ 3.27Å; D612-R614 IonicContact OD2-NE 2.71Å; D612-R614 PolarHBondContact OD2-NE 3.1Å; D612-R614 IonicContact OD2-NH2 3.83Å; D612-R614 PolarHBondContact OD2-NH2 3.03Å; D612-S741 PolarHBondContact N-O 3.3Å; D612-V742 HydrophobicContact CB-CB 4.49Å; D612-V742 HydrophobicContact CB-CG1 4.34Å; D612-V742 HydrophobicContact CB-CG2 4.14Å; D612-V742 CarbonylContact O-C 3.53Å; D612-V742 WeakPolarHBondContact O-CA 3.21Å; D612-V743 PolarHBondContact O-N 3.3Å |
| 613 | V | 93.3 | Very high | 89.3 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 16% | 0.158 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 113.7 | -179.7 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | L611 V743 A745 L756 Y760 L771 | L611-V613 HydrophobicContact CG-CG2 4.41Å; V613-V743 HydrophobicContact CG1-CB 4.42Å; V613-V743 HydrophobicContact CG2-CB 4.25Å; V613-V743 HydrophobicContact CG2-CG2 4.42Å; V613-A745 HydrophobicContact CG1-CB 4.39Å; V613-L756 HydrophobicContact CG1-CD1 4.06Å; V613-L756 HydrophobicContact CG2-CD1 4.14Å; V613-Y760 HydrophobicContact CG2-CE2 4.22Å; V613-L771 HydrophobicContact CB-CD1 4.33Å; V613-L771 HydrophobicContact CG1-CD1 3.97Å; V613-L771 HydrophobicContact CG1-CD2 4.23Å |
| 614 | R | 92.6 | Very high | 89.1 | Confident | 56 Ų | 56 | 37 Ų | 37 | 21% | 0.211 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123.7 | 180 | -53.5 | -171.7 | -166.4 | 167.5 | 5.3 | 108.9 | D612 V616 V743 F744 A745 | D612-R614 WeakPolarHBondContact OD1-CG 3.28Å; D612-R614 IonicContact OD1-NE 3.82Å; D612-R614 PolarHBondContact OD1-NE 3.33Å; D612-R614 IonicContact OD2-CZ 3.64Å; D612-R614 VanDerWaalsContact OD2-CZ 3.27Å; D612-R614 IonicContact OD2-NE 2.71Å; D612-R614 PolarHBondContact OD2-NE 3.1Å; D612-R614 IonicContact OD2-NH2 3.83Å; D612-R614 PolarHBondContact OD2-NH2 3.03Å; R614-V616 HydrophobicContact CB-CG2 4.05Å; R614-V743 PolarHBondContact N-O 3.24Å; R614-F744 HydrophobicContact CB-CD1 4.28Å; R614-A745 PolarHBondContact O-N 2.91Å |
| 615 | V | 92.1 | Very high | 88.9 | Confident | 30 Ų | 30 | 39.7 Ų | 39.7 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.7 | 171.3 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | A745 P747 L771 I774 | V615-A745 CarbonylContact C-O 3.56Å; V615-A745 VanDerWaalsContact CA-O 3.26Å; V615-A745 WeakPolarHBondContact CA-O 3.43Å; V615-P747 HydrophobicContact CG1-CG 3.73Å; V615-L771 HydrophobicContact CG2-CD2 3.37Å; V615-I774 HydrophobicContact CB-CD1 4.27Å; V615-I774 HydrophobicContact CG1-CD1 3.75Å; V615-I774 HydrophobicContact CG2-CD1 3.68Å |
| 616 | V | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -142.6 | 118.8 | -173.1 | -171.9 | 0 | 0 | 0 | 0 | 107.2 | R614 E621 K622 A745 | R614-V616 HydrophobicContact CB-CG2 4.05Å; V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.75Å; V616-E621 VanDerWaalsContact CG1-OE2 3.31Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.46Å; V616-K622 HydrophobicContact CB-CG 3.99Å; V616-K622 HydrophobicContact CG1-CB 4.19Å; V616-K622 HydrophobicContact CG1-CG 3.51Å; V616-K622 VanDerWaalsContact CG1-N 3.34Å; V616-A745 PolarHBondContact N-O 2.89Å | ||
| 617 | A | 85.4 | Confident | 88.5 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | trans | -79.5 | -50.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E621 P747 | A617-E621 PolarHBondContact N-OE2 3.43Å; A617-P747 HydrophobicContact CB-CG 4.47Å | ||
| 618 | D | 86.6 | Confident | 88.5 | Confident | 109 Ų | 109 | 43.2 Ų | 43.2 | 58% | 0.583 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -104.4 | 146.2 | -166.5 | -67.2 | -47.5 | 0 | 0 | 0 | 112.7 | E621 K622 | D618-E621 HydrophobicContact CB-CB 4.35Å; D618-E621 WeakPolarHBondContact O-CB 3.38Å; D618-E621 PolarHBondContact O-N 2.64Å; D618-E621 VanDerWaalsContact O-N 3.12Å; D618-K622 PolarHBondContact O-N 3.46Å |
| 619 | E | 86.3 | Confident | 88.4 | Confident | 70 Ų | 70 | 43.3 Ų | 43.3 | 33% | 0.327 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64 | -38.8 | -179.6 | -64.7 | -64.2 | 135.9 | 0 | 0 | 113.5 | E621 K622 I623 Y710 K746 | E619-E621 VanDerWaalsContact C-N 3.27Å; E619-E621 PolarHBondContact O-N 3.07Å; E619-K622 WeakPolarHBondContact O-CB 3.37Å; E619-K622 PolarHBondContact O-N 3.38Å; E619-K622 VanDerWaalsContact O-N 3.16Å; E619-K622 WeakPolarHBondContact OE1-CE 3.26Å; E619-K622 IonicContact OE1-NZ 3.65Å; E619-K622 PolarHBondContact OE1-NZ 3.23Å; E619-K622 IonicContact OE2-NZ 2.72Å; E619-I623 WeakPolarHBondContact O-CG1 3.42Å; E619-I623 PolarHBondContact O-N 2.84Å; E619-Y710 VanDerWaalsContact OE2-CE1 3.24Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.41Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.3Å; E619-Y710 PolarHBondContact OE2-OH 2.67Å; E619-K746 WeakPolarHBondContact OE1-CE 3.5Å; E619-K746 IonicContact OE1-NZ 3.25Å; E619-K746 PolarHBondContact OE1-NZ 3.49Å |
| 620 | P | 87.1 | Confident | 87.9 | Confident | 93 Ų | 93 | 44.7 Ų | 44.7 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -57 | -38.5 | 169.8 | -26.6 | 36 | 0 | 0 | 0 | 113.3 | I623 E624 | P620-I623 PolarHBondContact O-N 3.5Å; P620-I623 VanDerWaalsContact O-N 3.16Å; P620-E624 PolarHBondContact O-N 3.02Å |
| 621 | E | 88.2 | Confident | 87.3 | Confident | 78 Ų | 78 | 45 Ų | 45 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 177.7 | -164.7 | -163.1 | -175 | 0 | 0 | 111.5 | V616 A617 D618 E619 I623 E624 H625 | V616-E621 HydrophobicContact CG1-CB 3.65Å; V616-E621 HydrophobicContact CG1-CG 3.75Å; V616-E621 VanDerWaalsContact CG1-OE2 3.31Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.46Å; A617-E621 PolarHBondContact N-OE2 3.43Å; D618-E621 HydrophobicContact CB-CB 4.35Å; D618-E621 WeakPolarHBondContact O-CB 3.38Å; D618-E621 PolarHBondContact O-N 2.64Å; D618-E621 VanDerWaalsContact O-N 3.12Å; E619-E621 VanDerWaalsContact C-N 3.27Å; E619-E621 PolarHBondContact O-N 3.07Å; E621-I623 VanDerWaalsContact C-N 3.33Å; E621-E624 PolarHBondContact O-N 3.45Å; E621-H625 PolarHBondContact O-N 2.82Å; E621-H625 PolarHBondContact O-ND1 3.39Å; E621-H625 IonicContact OE1-CE1 2.68Å |
| 622 | K | 89.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 170.2 | -73 | -173.7 | -179.2 | 175 | 0 | 111.6 | V616 D618 E619 H625 L626 Y710 S711 F744 | V616-K622 HydrophobicContact CB-CG 3.99Å; V616-K622 HydrophobicContact CG1-CB 4.19Å; V616-K622 HydrophobicContact CG1-CG 3.51Å; V616-K622 VanDerWaalsContact CG1-N 3.34Å; D618-K622 PolarHBondContact O-N 3.46Å; E619-K622 WeakPolarHBondContact O-CB 3.37Å; E619-K622 PolarHBondContact O-N 3.38Å; E619-K622 VanDerWaalsContact O-N 3.16Å; E619-K622 WeakPolarHBondContact OE1-CE 3.26Å; E619-K622 IonicContact OE1-NZ 3.65Å; E619-K622 PolarHBondContact OE1-NZ 3.23Å; E619-K622 IonicContact OE2-NZ 2.72Å; K622-H625 PolarHBondContact O-N 3.43Å; K622-L626 WeakPolarHBondContact O-CB 3.14Å; K622-L626 PolarHBondContact O-N 3.35Å; K622-Y710 HydrophobicContact CB-CE2 4.05Å; K622-Y710 HydrophobicContact CD-CD1 4.45Å; K622-Y710 HydrophobicContact CD-CE1 3.83Å; K622-Y710 HydrophobicContact CD-CE2 4.02Å; K622-Y710 WeakPolarHBondContact CE-O 3.48Å; K622-Y710 PolarHBondContact NZ-O 3.15Å; K622-S711 PolarHBondContact NZ-OG 2.84Å; K622-S711 VanDerWaalsContact NZ-OG 3.13Å; K622-F744 HydrophobicContact CB-CD2 4.14Å; K622-F744 HydrophobicContact CB-CE2 4.34Å; K622-F744 HydrophobicContact CD-CB 4.43Å; K622-F744 HydrophobicContact CD-CD2 4.13Å; K622-F744 HydrophobicContact CG-CD2 4.02Å |
| 623 | I | 87.8 | Confident | 85.5 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 11% | 0.108 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 177.9 | -61.6 | -59.7 | 0 | 0 | 0 | 111.4 | E619 P620 E621 L626 K627 L654 I661 Y710 | E619-I623 WeakPolarHBondContact O-CG1 3.42Å; E619-I623 PolarHBondContact O-N 2.84Å; P620-I623 PolarHBondContact O-N 3.5Å; P620-I623 VanDerWaalsContact O-N 3.16Å; E621-I623 VanDerWaalsContact C-N 3.33Å; I623-L626 HydrophobicContact CD1-CD2 4.46Å; I623-L626 PolarHBondContact O-N 3.34Å; I623-K627 HydrophobicContact CG2-CD 4.39Å; I623-K627 WeakPolarHBondContact O-CB 3.46Å; I623-K627 WeakPolarHBondContact O-CG 3.44Å; I623-K627 PolarHBondContact O-N 3.22Å; I623-L654 HydrophobicContact CD1-CD1 3.46Å; I623-L654 VanDerWaalsContact CD1-CD1 3.46Å; I623-I661 HydrophobicContact CG2-CD1 4.19Å; I623-Y710 HydrophobicContact CD1-CE2 4.48Å |
| 624 | E | 87.1 | Confident | 83.9 | Confident | 100 Ų | 100 | 60.1 Ų | 60.1 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 173.3 | -61.4 | -44.1 | 126.2 | 0 | 0 | 112.7 | P620 E621 L626 K627 A628 | P620-E624 PolarHBondContact O-N 3.02Å; E621-E624 PolarHBondContact O-N 3.45Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 3.24Å; E624-K627 VanDerWaalsContact CD-NZ 3.28Å; E624-K627 WeakPolarHBondContact O-CB 3.41Å; E624-K627 PolarHBondContact O-N 3.17Å; E624-K627 IonicContact OE1-NZ 3.64Å; E624-K627 PolarHBondContact OE1-NZ 2.87Å; E624-K627 WeakPolarHBondContact OE2-CD 3.43Å; E624-K627 IonicContact OE2-NZ 3.18Å; E624-K627 PolarHBondContact OE2-NZ 3.46Å; E624-K627 VanDerWaalsContact OE2-NZ 3.13Å; E624-A628 WeakPolarHBondContact O-CB 3.26Å; E624-A628 PolarHBondContact O-N 3.22Å |
| 625 | H | 87.6 | Confident | 81.9 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 172.9 | -81.5 | 97.1 | 0 | 0 | 0 | 112.5 | E621 K622 L629 F744 | E621-H625 PolarHBondContact O-N 2.82Å; E621-H625 PolarHBondContact O-ND1 3.39Å; E621-H625 IonicContact OE1-CE1 2.68Å; K622-H625 PolarHBondContact O-N 3.43Å; H625-L629 VanDerWaalsContact O-CB 3.28Å; H625-L629 WeakPolarHBondContact O-CB 3.41Å; H625-L629 PolarHBondContact O-N 3.03Å; H625-F744 HydrophobicContact CB-CE1 4.35Å; H625-F744 HydrophobicContact CB-CZ 4.12Å |
| 626 | L | 88 | Confident | 80 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.2 | -43.6 | 175.8 | 178.8 | 55.2 | 0 | 0 | 0 | 112.2 | K622 I623 E624 A628 L629 I630 M643 L654 L658 I708 Y710 F744 | K622-L626 WeakPolarHBondContact O-CB 3.14Å; K622-L626 PolarHBondContact O-N 3.35Å; I623-L626 HydrophobicContact CD1-CD2 4.46Å; I623-L626 PolarHBondContact O-N 3.34Å; E624-L626 VanDerWaalsContact C-N 3.26Å; E624-L626 PolarHBondContact O-N 3.24Å; L626-A628 PolarHBondContact O-N 3.08Å; L626-L629 PolarHBondContact O-N 2.75Å; L626-I630 HydrophobicContact CD1-CD1 3.73Å; L626-I630 HydrophobicContact CD1-CG1 4.09Å; L626-I630 HydrophobicContact CG-CD1 3.92Å; L626-I630 WeakPolarHBondContact O-CB 3.35Å; L626-I630 VanDerWaalsContact O-CG1 3.32Å; L626-I630 WeakPolarHBondContact O-CG1 3.34Å; L626-I630 PolarHBondContact O-N 3.15Å; L626-M643 HydrophobicContact CD1-CE 3.39Å; L626-M643 HydrophobicContact CD2-CE 3.7Å; L626-M643 HydrophobicContact CG-CE 4.19Å; L626-L654 HydrophobicContact CD2-CD1 4.33Å; L626-L658 HydrophobicContact CD2-CD2 3.83Å; L626-L658 HydrophobicContact CG-CD2 4.44Å; L626-I708 HydrophobicContact CD1-CD1 3.8Å; L626-Y710 HydrophobicContact CD2-CE2 4.44Å; L626-F744 HydrophobicContact CB-CE2 4.26Å; L626-F744 HydrophobicContact CB-CZ 4.36Å |
| 627 | K | 83.2 | Confident | 78.1 | Confident | 73 Ų | 73 | 72.8 Ų | 72.8 | 32% | 0.317 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.4 | -50 | 170.7 | -80.2 | 163.3 | 169.4 | 179.5 | 0 | 111.2 | I623 E624 L629 I630 A631 I661 | I623-K627 HydrophobicContact CG2-CD 4.39Å; I623-K627 WeakPolarHBondContact O-CB 3.46Å; I623-K627 WeakPolarHBondContact O-CG 3.44Å; I623-K627 PolarHBondContact O-N 3.22Å; E624-K627 VanDerWaalsContact CD-NZ 3.28Å; E624-K627 WeakPolarHBondContact O-CB 3.41Å; E624-K627 PolarHBondContact O-N 3.17Å; E624-K627 IonicContact OE1-NZ 3.64Å; E624-K627 PolarHBondContact OE1-NZ 2.87Å; E624-K627 WeakPolarHBondContact OE2-CD 3.43Å; E624-K627 IonicContact OE2-NZ 3.18Å; E624-K627 PolarHBondContact OE2-NZ 3.46Å; E624-K627 VanDerWaalsContact OE2-NZ 3.13Å; K627-L629 VanDerWaalsContact C-N 3.33Å; K627-L629 PolarHBondContact O-N 3.4Å; K627-I630 PolarHBondContact O-N 2.9Å; K627-A631 WeakPolarHBondContact O-CB 3.38Å; K627-A631 PolarHBondContact O-N 3.34Å; K627-I661 HydrophobicContact CD-CD1 4.17Å; K627-I661 HydrophobicContact CG-CD1 3.53Å |
| 628 | A | 84.9 | Confident | 76.9 | Confident | 59 Ų | 59 | 76 Ų | 76 | 49% | 0.488 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E624 L626 K632 | E624-A628 WeakPolarHBondContact O-CB 3.26Å; E624-A628 PolarHBondContact O-N 3.22Å; L626-A628 PolarHBondContact O-N 3.08Å; A628-K632 VanDerWaalsContact O-CB 3.27Å; A628-K632 WeakPolarHBondContact O-CB 3.3Å; A628-K632 PolarHBondContact O-N 3.48Å |
| 629 | L | 84.4 | Confident | 76.3 | Confident | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.9 | -48.9 | 176.4 | -163.6 | 171.5 | 0 | 0 | 0 | 111.3 | H625 L626 K627 R633 L706 I708 V742 | H625-L629 VanDerWaalsContact O-CB 3.28Å; H625-L629 WeakPolarHBondContact O-CB 3.41Å; H625-L629 PolarHBondContact O-N 3.03Å; L626-L629 PolarHBondContact O-N 2.75Å; K627-L629 VanDerWaalsContact C-N 3.33Å; K627-L629 PolarHBondContact O-N 3.4Å; L629-R633 PolarHBondContact O-N 2.95Å; L629-L706 HydrophobicContact CD2-CD1 4.2Å; L629-L706 HydrophobicContact CD2-CD2 3.46Å; L629-L706 VanDerWaalsContact CD2-CD2 3.46Å; L629-L706 HydrophobicContact CD2-CG 4.48Å; L629-I708 HydrophobicContact CD1-CD1 4.1Å; L629-I708 HydrophobicContact CD1-CG1 4.31Å; L629-I708 HydrophobicContact CD2-CD1 4.25Å; L629-V742 HydrophobicContact CD1-CB 4.11Å; L629-V742 HydrophobicContact CD1-CG1 3.93Å; L629-V742 HydrophobicContact CD1-CG2 4Å |
| 630 | I | 78.3 | Confident | 76.1 | Confident | 32 Ų | 32 | 71.6 Ų | 71.6 | 16% | 0.164 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 176.7 | -68.5 | 168.7 | 0 | 0 | 0 | 110.6 | L626 K627 K632 R633 R634 L658 V663 | L626-I630 HydrophobicContact CD1-CD1 3.73Å; L626-I630 HydrophobicContact CD1-CG1 4.09Å; L626-I630 HydrophobicContact CG-CD1 3.92Å; L626-I630 WeakPolarHBondContact O-CB 3.35Å; L626-I630 VanDerWaalsContact O-CG1 3.32Å; L626-I630 WeakPolarHBondContact O-CG1 3.34Å; L626-I630 PolarHBondContact O-N 3.15Å; K627-I630 PolarHBondContact O-N 2.9Å; I630-K632 PolarHBondContact O-N 2.92Å; I630-R633 CarbonylContact O-C 3.56Å; I630-R633 WeakPolarHBondContact O-CA 3.48Å; I630-R633 PolarHBondContact O-N 3.45Å; I630-R634 HydrophobicContact CG2-CG 4.26Å; I630-R634 PolarHBondContact O-N 3.49Å; I630-L658 HydrophobicContact CD1-CD2 4.5Å; I630-V663 HydrophobicContact CD1-CG1 4.12Å; I630-V663 HydrophobicContact CD1-CG2 4.24Å |
| 631 | A | 77.1 | Confident | 76.2 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K627 R633 R634 | K627-A631 WeakPolarHBondContact O-CB 3.38Å; K627-A631 PolarHBondContact O-N 3.34Å; A631-R633 PolarHBondContact O-N 2.77Å; A631-R634 PolarHBondContact O-N 2.88Å; A631-R634 VanDerWaalsContact O-N 3.11Å |
| 632 | K | 75.4 | Confident | 76.4 | Confident | 172 Ų | 172 | 64.1 Ų | 64.1 | 75% | 0.748 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.8 | -27.9 | 174.3 | -174.4 | 173.3 | -179.9 | 178.2 | 0 | 112.7 | A628 I630 | A628-K632 VanDerWaalsContact O-CB 3.27Å; A628-K632 WeakPolarHBondContact O-CB 3.3Å; A628-K632 PolarHBondContact O-N 3.48Å; I630-K632 PolarHBondContact O-N 2.92Å |
| 633 | R | 68.9 | Low | 76.6 | Confident | 51 Ų | 51 | 64 Ų | 64 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -94.5 | -11 | 174.8 | -69.1 | -157.2 | -177 | -143.4 | 9.7 | 115.4 | L629 I630 A631 N635 F636 E639 P705 | L629-R633 PolarHBondContact O-N 2.95Å; I630-R633 CarbonylContact O-C 3.56Å; I630-R633 WeakPolarHBondContact O-CA 3.48Å; I630-R633 PolarHBondContact O-N 3.45Å; A631-R633 PolarHBondContact O-N 2.77Å; R633-N635 PolarHBondContact O-N 3.18Å; R633-N635 VanDerWaalsContact O-N 3.12Å; R633-F636 WeakPolarHBondContact O-CA 3.25Å; R633-F636 PolarHBondContact O-N 3.28Å; R633-E639 WeakPolarHBondContact CD-OE2 3.45Å; R633-E639 IonicContact CZ-OE2 3.3Å; R633-E639 IonicContact NE-OE2 3.87Å; R633-E639 IonicContact NH1-OE1 2.84Å; R633-E639 IonicContact NH1-OE2 3.67Å; R633-E639 PolarHBondContact NH1-OE2 3.04Å; R633-P705 PolarHBondContact NH1-O 3.34Å; R633-P705 PolarHBondContact NH2-O 3.24Å |
| 634 | R | 59.7 | Low | 77 | Confident | 153 Ų | 153 | 63 Ų | 63 | 58% | 0.577 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.3 | -19 | 176.1 | -85.3 | 179.3 | 172.9 | -179.1 | -4.3 | 113.5 | I630 A631 F636 G662 | I630-R634 HydrophobicContact CG2-CG 4.26Å; I630-R634 PolarHBondContact O-N 3.49Å; A631-R634 PolarHBondContact O-N 2.88Å; A631-R634 VanDerWaalsContact O-N 3.11Å; R634-F636 PolarHBondContact O-N 3.14Å; R634-G662 PolarHBondContact NH2-O 3.33Å; R634-G662 VanDerWaalsContact NH2-O 3.1Å |
| 635 | N | 50.6 | Low | 77.4 | Confident | 145 Ų | 145 | 58.3 Ų | 58.3 | 78% | 0.775 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -14.9 | 170.4 | -64.9 | 5.3 | 0 | 0 | 0 | 113.3 | R633 | R633-N635 PolarHBondContact O-N 3.18Å; R633-N635 VanDerWaalsContact O-N 3.12Å |
| 636 | F | 52.1 | Low | 77.5 | Confident | 129 Ų | 129 | 57.6 Ų | 57.6 | 57% | 0.566 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -111 | 74.5 | 177.9 | -58.1 | -85.1 | 0 | 0 | 0 | 109.8 | R633 R634 N638 E639 | R633-F636 WeakPolarHBondContact O-CA 3.25Å; R633-F636 PolarHBondContact O-N 3.28Å; R634-F636 PolarHBondContact O-N 3.14Å; F636-N638 PolarHBondContact O-N 2.71Å; F636-E639 HydrophobicContact CB-CG 4.17Å; F636-E639 PolarHBondContact O-N 2.91Å |
| 637 | A | 51.2 | Low | 77.5 | Confident | 77 Ų | 77 | 60.8 Ų | 60.8 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 133.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 638 | N | 61.9 | Low | 78 | Confident | 115 Ų | 115 | 60.1 Ų | 60.1 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 12.1 | -176.6 | -48.6 | -43.1 | 0 | 0 | 0 | 118.5 | F636 P640 | F636-N638 PolarHBondContact O-N 2.71Å; N638-P640 WeakPolarHBondContact O-CD 3.39Å |
| 639 | E | 73.7 | Confident | 78.4 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | trans | -89.2 | 116.3 | 170.3 | -73.6 | -156 | 144.6 | 0 | 0 | 114 | R633 F636 P685 P705 | R633-E639 WeakPolarHBondContact CD-OE2 3.45Å; R633-E639 IonicContact CZ-OE2 3.3Å; R633-E639 IonicContact NE-OE2 3.87Å; R633-E639 IonicContact NH1-OE1 2.84Å; R633-E639 IonicContact NH1-OE2 3.67Å; R633-E639 PolarHBondContact NH1-OE2 3.04Å; F636-E639 HydrophobicContact CB-CG 4.17Å; F636-E639 PolarHBondContact O-N 2.91Å; E639-P685 CarbonylContact C-O 3.58Å; E639-P705 HydrophobicContact CB-CG 3.72Å; E639-P705 HydrophobicContact CG-CB 4.49Å; E639-P705 HydrophobicContact CG-CG 3.88Å | ||
| 640 | P | 81.9 | Confident | 78.8 | Confident | 19 Ų | 19 | 62.4 Ų | 62.4 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | trans | -79.6 | 138.7 | 178 | 27.3 | -31.6 | 0 | 0 | 0 | 112.2 | N638 W680 P685 P705 | N638-P640 WeakPolarHBondContact O-CD 3.39Å; P640-W680 HydrophobicContact CB-CH2 3.99Å; P640-W680 HydrophobicContact CB-CZ2 3.57Å; P640-P685 WeakPolarHBondContact CA-O 3.42Å; P640-P685 WeakPolarHBondContact CB-O 3.39Å; P640-P685 WeakPolarHBondContact CD-O 3.46Å; P640-P705 VanDerWaalsContact O-CD 3.28Å; P640-P705 WeakPolarHBondContact O-CD 3.43Å | ||
| 641 | A | 88.1 | Confident | 79.5 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 12% | 0.116 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W680 G687 L688 L689 L706 | A641-W680 WeakPolarHBondContact O-CZ2 3.12Å; A641-G687 PolarHBondContact N-O 2.65Å; A641-L688 HydrophobicContact CB-CD1 3.7Å; A641-L689 PolarHBondContact O-N 2.85Å; A641-L706 HydrophobicContact CB-CB 4.25Å; A641-L706 HydrophobicContact CB-CD2 3.85Å; A641-L706 HydrophobicContact CB-CG 4.19Å |
| 642 | V | 92.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.8 | 171 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | W680 V691 C701 I704 L706 L707 I708 L725 | V642-W680 HydrophobicContact CG2-CH2 3.65Å; V642-W680 HydrophobicContact CG2-CZ2 4.24Å; V642-W680 HydrophobicContact CG2-CZ3 4.44Å; V642-V691 HydrophobicContact CG1-CG1 4.42Å; V642-V691 HydrophobicContact CG1-CG2 3.96Å; V642-C701 HydrophobicContact CG2-CB 4.28Å; V642-I704 HydrophobicContact CB-CD1 4.39Å; V642-I704 HydrophobicContact CG2-CD1 4.23Å; V642-I704 HydrophobicContact CG2-CG2 3.83Å; V642-L706 PolarHBondContact N-O 3.08Å; V642-L706 VanDerWaalsContact N-O 3.12Å; V642-L707 HydrophobicContact CB-CD1 4.16Å; V642-L707 HydrophobicContact CG1-CD1 4.25Å; V642-L707 CarbonylContact O-C 3.29Å; V642-L707 WeakPolarHBondContact O-CA 3.37Å; V642-I708 PolarHBondContact O-N 2.92Å; V642-L725 HydrophobicContact CG1-CD1 3.93Å |
| 643 | M | 94.4 | Very high | 81 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.5 | 176.2 | 176.7 | -178.3 | -66.7 | 0 | 0 | 110.6 | L626 L654 L688 L689 L690 V691 I708 Y710 | L626-M643 HydrophobicContact CD1-CE 3.39Å; L626-M643 HydrophobicContact CD2-CE 3.7Å; L626-M643 HydrophobicContact CG-CE 4.19Å; M643-L654 HydrophobicContact SD-CD2 3.4Å; M643-L654 WeakPolarHBondContact SD-CD2 3.47Å; M643-L654 HydrophobicContact SD-CG 4.44Å; M643-L688 HydrophobicContact CB-CD1 3.99Å; M643-L688 HydrophobicContact CE-CD1 4.37Å; M643-L688 HydrophobicContact CE-CD2 3.95Å; M643-L688 HydrophobicContact SD-CD2 4.49Å; M643-L689 PolarHBondContact N-O 3.32Å; M643-L690 HydrophobicContact CB-CD2 4.01Å; M643-L690 HydrophobicContact CG-CD2 4.21Å; M643-L690 HydrophobicContact SD-CD2 3.64Å; M643-V691 PolarHBondContact O-N 2.81Å; M643-I708 CarbonylContact C-O 3.52Å; M643-I708 VanDerWaalsContact CA-O 3.29Å; M643-I708 WeakPolarHBondContact CA-O 3.31Å; M643-I708 HydrophobicContact CB-CB 4.19Å; M643-I708 HydrophobicContact CE-CB 4.04Å; M643-I708 HydrophobicContact CE-CD1 3.64Å; M643-I708 HydrophobicContact CE-CG1 4.45Å; M643-I708 HydrophobicContact CE-CG2 3.92Å; M643-I708 HydrophobicContact CG-CB 4.13Å; M643-I708 HydrophobicContact CG-CG2 4.34Å; M643-Y710 HydrophobicContact CE-CD2 4.46Å; M643-Y710 HydrophobicContact SD-CD2 3.97Å; M643-Y710 HydrophobicContact SD-CG 4.28Å |
| 644 | V | 96.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119 | 179.3 | -164 | 0 | 0 | 0 | 0 | 110.3 | V691 V696 L707 I708 Y710 R722 | V644-V691 WeakPolarHBondContact CA-O 3.34Å; V644-V691 HydrophobicContact CB-CG2 4.25Å; V644-V691 HydrophobicContact CG1-CG2 4.22Å; V644-V691 HydrophobicContact CG2-CG2 3.81Å; V644-V696 HydrophobicContact CG1-CG2 4.32Å; V644-V696 HydrophobicContact CG2-CG2 4.44Å; V644-L707 HydrophobicContact CG2-CD1 3.88Å; V644-I708 PolarHBondContact N-O 3.04Å; V644-Y710 PolarHBondContact O-N 2.69Å; V644-Y710 VanDerWaalsContact O-N 3.13Å; V644-R722 HydrophobicContact CB-CG 4.34Å; V644-R722 HydrophobicContact CG1-CG 4.1Å; V644-R722 VanDerWaalsContact CG1-NE 3.33Å; V644-R722 HydrophobicContact CG2-CB 4.4Å; V644-R722 HydrophobicContact CG2-CG 4.16Å; V644-R722 PolarHBondContact O-NH1 3.11Å |
| 645 | C | 94.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 162.7 | 170.4 | -62.7 | 0 | 0 | 0 | 0 | 110.4 | E650 V651 V691 | C645-E650 HydrophobicContact CB-CB 4.27Å; C645-E650 HydrophobicContact CB-CG 3.99Å; C645-E650 WeakPolarHBondContact CB-OE2 3.38Å; C645-V651 HydrophobicContact CB-CG2 3.57Å; C645-V691 PolarHBondContact N-O 3.01Å |
| 646 | S | 88.8 | Confident | 85.5 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -71.4 | -33.7 | 178.9 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | E650 | S646-E650 WeakPolarHBondContact CB-OE2 3.27Å; S646-E650 PolarHBondContact N-OE2 3.38Å; S646-E650 PolarHBondContact OG-OE2 2.92Å |
| 647 | N | 90 | Very high | 87.2 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -153.9 | 167.8 | -174.1 | 69.6 | 80.3 | 0 | 0 | 0 | 112.6 | T649 E650 V651 | N647-T649 WeakPolarHBondContact OD1-CA 3.27Å; N647-T649 VanDerWaalsContact OD1-CB 3.27Å; N647-T649 WeakPolarHBondContact OD1-CB 3.43Å; N647-T649 PolarHBondContact OD1-N 3.2Å; N647-E650 PolarHBondContact O-N 3.32Å; N647-E650 PolarHBondContact OD1-N 3.41Å; N647-V651 PolarHBondContact O-N 3.16Å |
| 648 | S | 92.2 | Very high | 88.9 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.8 | -30.6 | -176.5 | 50.7 | 0 | 0 | 0 | 0 | 114.3 | V651 L652 | S648-V651 PolarHBondContact O-N 2.87Å; S648-L652 WeakPolarHBondContact O-CG 3.36Å; S648-L652 PolarHBondContact O-N 2.88Å |
| 649 | T | 93 | Very high | 90.1 | Very high | 87 Ų | 87 | 47.1 Ų | 47.1 | 53% | 0.534 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 175.3 | -51.7 | 0 | 0 | 0 | 0 | 111 | N647 V651 L652 L653 | N647-T649 WeakPolarHBondContact OD1-CA 3.27Å; N647-T649 VanDerWaalsContact OD1-CB 3.27Å; N647-T649 WeakPolarHBondContact OD1-CB 3.43Å; N647-T649 PolarHBondContact OD1-N 3.2Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 2.97Å; T649-L652 PolarHBondContact O-N 3Å; T649-L653 HydrophobicContact CG2-CD1 4.26Å; T649-L653 WeakPolarHBondContact O-CG 3.17Å; T649-L653 PolarHBondContact O-N 3Å |
| 650 | E | 92.7 | Very high | 90.7 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 173.5 | -175.8 | 175.4 | -141.9 | 0 | 0 | 111.3 | C645 S646 N647 L652 L653 L654 Y710 S711 | C645-E650 HydrophobicContact CB-CB 4.27Å; C645-E650 HydrophobicContact CB-CG 3.99Å; C645-E650 WeakPolarHBondContact CB-OE2 3.38Å; S646-E650 WeakPolarHBondContact CB-OE2 3.27Å; S646-E650 PolarHBondContact N-OE2 3.38Å; S646-E650 PolarHBondContact OG-OE2 2.92Å; N647-E650 PolarHBondContact O-N 3.32Å; N647-E650 PolarHBondContact OD1-N 3.41Å; E650-L652 PolarHBondContact O-N 3.25Å; E650-L653 PolarHBondContact O-N 3.37Å; E650-L654 WeakPolarHBondContact O-CB 3.29Å; E650-L654 PolarHBondContact O-N 3.26Å; E650-Y710 HydrophobicContact CG-CD1 4.35Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.41Å; E650-S711 VanDerWaalsContact OE1-CB 3.23Å; E650-S711 WeakPolarHBondContact OE1-CB 3.07Å; E650-S711 PolarHBondContact OE1-OG 3.19Å |
| 651 | V | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 174.1 | 172 | 0 | 0 | 0 | 0 | 112.3 | C645 N647 S648 T649 R655 I667 V669 L690 T692 | C645-V651 HydrophobicContact CB-CG2 3.57Å; N647-V651 PolarHBondContact O-N 3.16Å; S648-V651 PolarHBondContact O-N 2.87Å; T649-V651 VanDerWaalsContact C-N 3.34Å; T649-V651 PolarHBondContact O-N 2.97Å; V651-R655 WeakPolarHBondContact O-CB 3.39Å; V651-R655 PolarHBondContact O-N 2.86Å; V651-I667 HydrophobicContact CG1-CB 4.47Å; V651-I667 HydrophobicContact CG1-CD1 3.89Å; V651-I667 HydrophobicContact CG1-CG1 3.92Å; V651-I667 HydrophobicContact CG1-CG2 3.86Å; V651-V669 HydrophobicContact CB-CG1 4.1Å; V651-V669 HydrophobicContact CG1-CG1 3.9Å; V651-V669 HydrophobicContact CG2-CG1 4.13Å; V651-L690 HydrophobicContact CG1-CB 3.69Å; V651-L690 HydrophobicContact CG1-CD1 4.14Å; V651-T692 HydrophobicContact CG2-CG2 4.14Å |
| 652 | L | 92.3 | Very high | 90.2 | Very high | 95 Ų | 95 | 51.8 Ų | 51.8 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | -179.4 | -71 | 172.4 | 0 | 0 | 0 | 112.9 | S648 T649 E650 R656 I667 | S648-L652 WeakPolarHBondContact O-CG 3.36Å; S648-L652 PolarHBondContact O-N 2.88Å; T649-L652 PolarHBondContact O-N 3Å; E650-L652 PolarHBondContact O-N 3.25Å; L652-R656 WeakPolarHBondContact O-CG 3.46Å; L652-R656 PolarHBondContact O-N 3.46Å; L652-I667 HydrophobicContact CD2-CD1 4.24Å |
| 653 | L | 91.8 | Very high | 89.6 | Confident | 98 Ų | 98 | 52.5 Ų | 52.5 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 175 | -69.1 | 172.8 | 0 | 0 | 0 | 111.4 | T649 E650 R656 S657 | T649-L653 HydrophobicContact CG2-CD1 4.26Å; T649-L653 WeakPolarHBondContact O-CG 3.17Å; T649-L653 PolarHBondContact O-N 3Å; E650-L653 PolarHBondContact O-N 3.37Å; L653-R656 PolarHBondContact O-N 3.43Å; L653-S657 PolarHBondContact O-N 3.46Å; L653-S657 VanDerWaalsContact O-N 3.09Å; L653-S657 PolarHBondContact O-OG 2.67Å; L653-S657 VanDerWaalsContact O-OG 3.04Å |
| 654 | L | 91.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 179.3 | -173.2 | 53 | 0 | 0 | 0 | 111.9 | I623 L626 M643 E650 R656 S657 L658 Y710 | I623-L654 HydrophobicContact CD1-CD1 3.46Å; I623-L654 VanDerWaalsContact CD1-CD1 3.46Å; L626-L654 HydrophobicContact CD2-CD1 4.33Å; M643-L654 HydrophobicContact SD-CD2 3.4Å; M643-L654 WeakPolarHBondContact SD-CD2 3.47Å; M643-L654 HydrophobicContact SD-CG 4.44Å; E650-L654 WeakPolarHBondContact O-CB 3.29Å; E650-L654 PolarHBondContact O-N 3.26Å; L654-R656 VanDerWaalsContact C-N 3.33Å; L654-R656 PolarHBondContact O-N 3.16Å; L654-S657 PolarHBondContact O-N 3.37Å; L654-L658 HydrophobicContact CD1-CD1 4.35Å; L654-L658 HydrophobicContact CD1-CG 4.25Å; L654-L658 HydrophobicContact CG-CD1 4.01Å; L654-L658 HydrophobicContact CG-CG 4.41Å; L654-L658 WeakPolarHBondContact O-CB 3.33Å; L654-L658 VanDerWaalsContact O-CG 3.26Å; L654-L658 WeakPolarHBondContact O-CG 3.46Å; L654-L658 PolarHBondContact O-N 3.48Å; L654-Y710 HydrophobicContact CD1-CD2 4.38Å; L654-Y710 HydrophobicContact CD1-CE2 3.75Å; L654-Y710 HydrophobicContact CD2-CD1 3.98Å; L654-Y710 HydrophobicContact CD2-CD2 3.52Å; L654-Y710 HydrophobicContact CD2-CE1 4.16Å; L654-Y710 HydrophobicContact CD2-CE2 3.7Å; L654-Y710 HydrophobicContact CD2-CG 3.67Å; L654-Y710 HydrophobicContact CG-CE2 4.41Å |
| 655 | R | 90.9 | Very high | 88.5 | Confident | 89 Ų | 89 | 58.7 Ų | 58.7 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57 | -44.7 | 172.2 | -165.6 | -140.4 | -179.3 | 108.4 | 1.8 | 111.9 | V651 L658 Q659 I667 L690 | V651-R655 WeakPolarHBondContact O-CB 3.39Å; V651-R655 PolarHBondContact O-N 2.86Å; R655-L658 PolarHBondContact O-N 3.21Å; R655-Q659 WeakPolarHBondContact O-CB 3.37Å; R655-Q659 VanDerWaalsContact O-CG 3.27Å; R655-Q659 WeakPolarHBondContact O-CG 3.2Å; R655-Q659 PolarHBondContact O-N 2.8Å; R655-Q659 PolarHBondContact O-OE1 2.85Å; R655-I667 HydrophobicContact CB-CD1 3.99Å; R655-I667 HydrophobicContact CG-CD1 3.91Å; R655-I667 HydrophobicContact CG-CG1 4.46Å; R655-L690 HydrophobicContact CB-CD1 3.96Å; R655-L690 HydrophobicContact CG-CD1 4.49Å |
| 656 | R | 90.8 | Very high | 88.2 | Confident | 172 Ų | 172 | 60.2 Ų | 60.2 | 65% | 0.649 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.5 | -45.9 | 177.3 | -67.7 | 173.2 | -177.4 | 176.6 | 0.7 | 111.4 | L652 L653 L654 L658 Q659 A660 | L652-R656 WeakPolarHBondContact O-CG 3.46Å; L652-R656 PolarHBondContact O-N 3.46Å; L653-R656 PolarHBondContact O-N 3.43Å; L654-R656 VanDerWaalsContact C-N 3.33Å; L654-R656 PolarHBondContact O-N 3.16Å; R656-L658 VanDerWaalsContact C-N 3.32Å; R656-L658 PolarHBondContact O-N 2.67Å; R656-Q659 PolarHBondContact O-N 3.33Å; R656-A660 WeakPolarHBondContact O-CB 3.16Å; R656-A660 PolarHBondContact O-N 3.37Å |
| 657 | S | 88.4 | Confident | 88.4 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 38% | 0.378 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 178.2 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | L653 L654 | L653-S657 PolarHBondContact O-N 3.46Å; L653-S657 VanDerWaalsContact O-N 3.09Å; L653-S657 PolarHBondContact O-OG 2.67Å; L653-S657 VanDerWaalsContact O-OG 3.04Å; L654-S657 PolarHBondContact O-N 3.37Å |
| 658 | L | 86.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.5 | -42.9 | 175.3 | -74.8 | 169.5 | 0 | 0 | 0 | 112.8 | L626 I630 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690 | L626-L658 HydrophobicContact CD2-CD2 3.83Å; L626-L658 HydrophobicContact CG-CD2 4.44Å; I630-L658 HydrophobicContact CD1-CD2 4.5Å; L654-L658 HydrophobicContact CD1-CD1 4.35Å; L654-L658 HydrophobicContact CD1-CG 4.25Å; L654-L658 HydrophobicContact CG-CD1 4.01Å; L654-L658 HydrophobicContact CG-CG 4.41Å; L654-L658 WeakPolarHBondContact O-CB 3.33Å; L654-L658 VanDerWaalsContact O-CG 3.26Å; L654-L658 WeakPolarHBondContact O-CG 3.46Å; L654-L658 PolarHBondContact O-N 3.48Å; R655-L658 PolarHBondContact O-N 3.21Å; R656-L658 VanDerWaalsContact C-N 3.32Å; R656-L658 PolarHBondContact O-N 2.67Å; L658-A660 VanDerWaalsContact C-N 3.33Å; L658-A660 PolarHBondContact O-N 3.06Å; L658-I661 HydrophobicContact CD2-CD1 4.29Å; L658-I661 CarbonylContact O-C 3.26Å; L658-I661 WeakPolarHBondContact O-CG1 3.4Å; L658-I661 PolarHBondContact O-N 2.98Å; L658-I661 VanDerWaalsContact O-N 3.15Å; L658-G662 PolarHBondContact O-N 3.32Å; L658-V663 CarbonylContact C-O 3.43Å; L658-V663 HydrophobicContact CB-CB 4.19Å; L658-V663 HydrophobicContact CB-CG1 4.45Å; L658-V663 HydrophobicContact CD2-CB 3.98Å; L658-V663 HydrophobicContact CD2-CG1 3.93Å; L658-V663 HydrophobicContact CD2-CG2 4.44Å; L658-V663 PolarHBondContact O-N 3.09Å; L658-A665 HydrophobicContact CD1-CB 4.09Å; L658-L688 HydrophobicContact CD1-CD2 3.73Å; L658-L690 HydrophobicContact CD1-CD1 4.13Å; L658-L690 HydrophobicContact CD1-CD2 3.98Å |
| 659 | Q | 87.1 | Confident | 88.4 | Confident | 91 Ų | 91 | 54.9 Ų | 54.9 | 43% | 0.425 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 176.1 | -74.1 | 174.6 | -61.5 | 0 | 0 | 111.5 | R655 R656 I661 G662 | R655-Q659 WeakPolarHBondContact O-CB 3.37Å; R655-Q659 VanDerWaalsContact O-CG 3.27Å; R655-Q659 WeakPolarHBondContact O-CG 3.2Å; R655-Q659 PolarHBondContact O-N 2.8Å; R655-Q659 PolarHBondContact O-OE1 2.85Å; R656-Q659 PolarHBondContact O-N 3.33Å; Q659-I661 PolarHBondContact O-N 2.62Å; Q659-I661 VanDerWaalsContact O-N 3.15Å; Q659-G662 PolarHBondContact O-N 2.76Å; Q659-G662 VanDerWaalsContact O-N 3.15Å |
| 660 | A | 86.8 | Confident | 88.2 | Confident | 89 Ų | 89 | 53.3 Ų | 53.3 | 74% | 0.736 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R656 L658 | R656-A660 WeakPolarHBondContact O-CB 3.16Å; R656-A660 PolarHBondContact O-N 3.37Å; L658-A660 VanDerWaalsContact C-N 3.33Å; L658-A660 PolarHBondContact O-N 3.06Å |
| 661 | I | 80.2 | Confident | 87.8 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 28% | 0.282 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 17.4 | 177.7 | 67.6 | 167.6 | 0 | 0 | 0 | 113.3 | I623 K627 L658 Q659 V663 | I623-I661 HydrophobicContact CG2-CD1 4.19Å; K627-I661 HydrophobicContact CD-CD1 4.17Å; K627-I661 HydrophobicContact CG-CD1 3.53Å; L658-I661 HydrophobicContact CD2-CD1 4.29Å; L658-I661 CarbonylContact O-C 3.26Å; L658-I661 WeakPolarHBondContact O-CG1 3.4Å; L658-I661 PolarHBondContact O-N 2.98Å; L658-I661 VanDerWaalsContact O-N 3.15Å; Q659-I661 PolarHBondContact O-N 2.62Å; Q659-I661 VanDerWaalsContact O-N 3.15Å; I661-V663 HydrophobicContact CD1-CG2 4.27Å; I661-V663 HydrophobicContact CG1-CG2 4.13Å |
| 662 | G | 79.8 | Confident | 87.3 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 56% | 0.557 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R634 L658 Q659 | R634-G662 PolarHBondContact NH2-O 3.33Å; R634-G662 VanDerWaalsContact NH2-O 3.1Å; L658-G662 PolarHBondContact O-N 3.32Å; Q659-G662 PolarHBondContact O-N 2.76Å; Q659-G662 VanDerWaalsContact O-N 3.15Å |
| 663 | V | 80.1 | Confident | 87 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | trans | -116 | 110.1 | 171.2 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | I630 L658 I661 | I630-V663 HydrophobicContact CD1-CG1 4.12Å; I630-V663 HydrophobicContact CD1-CG2 4.24Å; L658-V663 CarbonylContact C-O 3.43Å; L658-V663 HydrophobicContact CB-CB 4.19Å; L658-V663 HydrophobicContact CB-CG1 4.45Å; L658-V663 HydrophobicContact CD2-CB 3.98Å; L658-V663 HydrophobicContact CD2-CG1 3.93Å; L658-V663 HydrophobicContact CD2-CG2 4.44Å; L658-V663 PolarHBondContact O-N 3.09Å; I661-V663 HydrophobicContact CD1-CG2 4.27Å; I661-V663 HydrophobicContact CG1-CG2 4.13Å | ||
| 664 | N | 79.8 | Confident | 86.8 | Confident | 125 Ų | 125 | 55.8 Ų | 55.8 | 67% | 0.668 | 32% | 0.317 | S | S | * | . | trans | -74.3 | 131.2 | 170.7 | -74.6 | -24.3 | 0 | 0 | 0 | 110.2 | ||||
| 665 | A | 86.4 | Confident | 86.4 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 130.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L658 L688 L690 | L658-A665 HydrophobicContact CD1-CB 4.09Å; A665-L688 CarbonylContact C-O 3.2Å; A665-L688 VanDerWaalsContact CA-O 3.24Å; A665-L688 WeakPolarHBondContact CA-O 3.44Å; A665-L688 HydrophobicContact CB-CB 4.18Å; A665-L688 HydrophobicContact CB-CD2 4.43Å; A665-L688 HydrophobicContact CB-CG 4.49Å; A665-L690 HydrophobicContact CB-CD1 4.09Å; A665-L690 HydrophobicContact CB-CD2 4.5Å; A665-L690 HydrophobicContact CB-CG 4.01Å |
| 666 | H | 89.4 | Confident | 86.1 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 14% | 0.144 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 160.7 | 171.7 | -65.9 | -106.3 | 0 | 0 | 0 | 109.7 | W680 L688 L689 L690 | H666-W680 HydrophobicContact CB-CB 3.99Å; H666-W680 HydrophobicContact CB-CG 4.37Å; H666-W680 AromaticContact CD2-CD1 3.71Å; H666-L688 PolarHBondContact N-O 3.01Å; H666-L689 HydrophobicContact CB-CD1 3.83Å; H666-L690 PolarHBondContact O-N 3.42Å |
| 667 | I | 92.3 | Very high | 85.9 | Confident | 16 Ų | 16 | 49.3 Ų | 49.3 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.9 | -176.5 | -68.1 | -177.1 | 0 | 0 | 0 | 110.5 | V651 L652 R655 V669 N676 L690 | V651-I667 HydrophobicContact CG1-CB 4.47Å; V651-I667 HydrophobicContact CG1-CD1 3.89Å; V651-I667 HydrophobicContact CG1-CG1 3.92Å; V651-I667 HydrophobicContact CG1-CG2 3.86Å; L652-I667 HydrophobicContact CD2-CD1 4.24Å; R655-I667 HydrophobicContact CB-CD1 3.99Å; R655-I667 HydrophobicContact CG-CD1 3.91Å; R655-I667 HydrophobicContact CG-CG1 4.46Å; I667-V669 HydrophobicContact CG2-CG1 3.75Å; I667-V669 HydrophobicContact CG2-CG2 4.26Å; I667-N676 WeakPolarHBondContact O-CB 3.27Å; I667-N676 PolarHBondContact O-ND2 2.98Å; I667-L690 WeakPolarHBondContact CA-O 3.41Å; I667-L690 HydrophobicContact CG1-CB 4.42Å; I667-L690 HydrophobicContact CG1-CD1 4.43Å |
| 668 | C | 91.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 101.9 | 165 | -163.9 | 0 | 0 | 0 | 0 | 110.1 | C673 V677 L689 L690 V691 V695 L699 | C668-C673 HydrophobicContact CB-CB 4.36Å; C668-C673 VanDerWaalsContact SG-C 3.55Å; C668-C673 PolarHBondContact SG-O 3.43Å; C668-V677 HydrophobicContact CB-CG2 4.05Å; C668-L689 HydrophobicContact CB-CD1 4.32Å; C668-L690 PolarHBondContact N-O 3.4Å; C668-V691 HydrophobicContact CB-CG1 4.02Å; C668-V691 VanDerWaalsContact O-CA 3.29Å; C668-V691 WeakPolarHBondContact O-CA 3.11Å; C668-V691 WeakPolarHBondContact O-CB 3.34Å; C668-V695 WeakPolarHBondContact O-CG2 3.23Å; C668-L699 HydrophobicContact CB-CD1 4.47Å |
| 669 | V | 90.3 | Very high | 85.4 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 26% | 0.261 | 33% | 0.328 | S | S | . | . | trans | -113.7 | -7.5 | -177.7 | -67.5 | 0 | 0 | 0 | 0 | 114 | V651 I667 T692 | V651-V669 HydrophobicContact CB-CG1 4.1Å; V651-V669 HydrophobicContact CG1-CG1 3.9Å; V651-V669 HydrophobicContact CG2-CG1 4.13Å; I667-V669 HydrophobicContact CG2-CG1 3.75Å; I667-V669 HydrophobicContact CG2-CG2 4.26Å; V669-T692 HydrophobicContact CG1-CG2 4.14Å; V669-T692 PolarHBondContact O-OG1 2.88Å | ||
| 670 | S | 89.3 | Confident | 85.4 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 37% | 0.371 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -154.2 | 167.1 | 177.4 | 68.8 | 0 | 0 | 0 | 0 | 109.8 | A672 C673 | S670-A672 PolarHBondContact O-N 3.12Å; S670-C673 WeakPolarHBondContact O-CB 3.42Å; S670-C673 PolarHBondContact O-N 3.24Å |
| 671 | E | 84.1 | Confident | 85.1 | Confident | 94 Ų | 94 | 47.7 Ų | 47.7 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -62.5 | -28.8 | -178.2 | -52.2 | -144.7 | 109.9 | 0 | 0 | 113.2 | C673 Y674 R698 | E671-C673 PolarHBondContact O-N 3.44Å; E671-Y674 VanDerWaalsContact CA-CE2 3.48Å; E671-Y674 HydrophobicContact CB-CD2 3.94Å; E671-Y674 HydrophobicContact CB-CE2 3.44Å; E671-Y674 VanDerWaalsContact CB-CE2 3.44Å; E671-Y674 HydrophobicContact CG-CE2 3.68Å; E671-Y674 WeakPolarHBondContact CG-OH 3.22Å; E671-Y674 WeakPolarHBondContact O-CD2 3.48Å; E671-Y674 PolarHBondContact O-N 3.33Å; E671-Y674 VanDerWaalsContact O-N 3.13Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.45Å; E671-Y674 PolarHBondContact OE1-OH 3.17Å; E671-R698 WeakPolarHBondContact OE1-CD 3.33Å; E671-R698 IonicContact OE1-CZ 2.66Å; E671-R698 IonicContact OE1-NE 2.72Å; E671-R698 IonicContact OE1-NH1 3.64Å; E671-R698 PolarHBondContact OE1-NH1 3.26Å; E671-R698 IonicContact OE2-NH1 2.62Å; E671-R698 PolarHBondContact OE2-NH1 3.03Å |
| 672 | A | 84.7 | Confident | 85.1 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 74% | 0.744 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -61.9 | -20.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | S670 | S670-A672 PolarHBondContact O-N 3.12Š|
| 673 | C | 85.9 | Confident | 84.6 | Confident | 27 Ų | 27 | 55.7 Ų | 55.7 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -94.4 | 9.8 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | C668 S670 E671 S675 N676 | C668-C673 HydrophobicContact CB-CB 4.36Å; C668-C673 VanDerWaalsContact SG-C 3.55Å; C668-C673 PolarHBondContact SG-O 3.43Å; S670-C673 WeakPolarHBondContact O-CB 3.42Å; S670-C673 PolarHBondContact O-N 3.24Å; E671-C673 PolarHBondContact O-N 3.44Å; C673-S675 PolarHBondContact O-N 2.88Å; C673-N676 VanDerWaalsContact O-CB 3.29Å; C673-N676 WeakPolarHBondContact O-CB 3.25Å; C673-N676 PolarHBondContact O-N 2.96Å; C673-N676 VanDerWaalsContact O-N 3.14Å |
| 674 | Y | 86.5 | Confident | 83.8 | Confident | 64 Ų | 64 | 56.7 Ų | 56.7 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.1 | 178.6 | -70.9 | -38.9 | 0 | 0 | 0 | 113.3 | E671 N676 V677 V695 R698 L699 | E671-Y674 VanDerWaalsContact CA-CE2 3.48Å; E671-Y674 HydrophobicContact CB-CD2 3.94Å; E671-Y674 HydrophobicContact CB-CE2 3.44Å; E671-Y674 VanDerWaalsContact CB-CE2 3.44Å; E671-Y674 HydrophobicContact CG-CE2 3.68Å; E671-Y674 WeakPolarHBondContact CG-OH 3.22Å; E671-Y674 WeakPolarHBondContact O-CD2 3.48Å; E671-Y674 PolarHBondContact O-N 3.33Å; E671-Y674 VanDerWaalsContact O-N 3.13Å; E671-Y674 WeakPolarHBondContact OE1-CE2 3.45Å; E671-Y674 PolarHBondContact OE1-OH 3.17Å; Y674-N676 PolarHBondContact O-N 3.35Å; Y674-V677 WeakPolarHBondContact O-CB 3.49Å; Y674-V677 PolarHBondContact O-N 2.87Å; Y674-V677 VanDerWaalsContact O-N 3.12Å; Y674-V695 HydrophobicContact CE1-CB 4.08Å; Y674-V695 HydrophobicContact CE1-CG1 4.26Å; Y674-R698 WeakPolarHBondContact OH-CB 3.46Å; Y674-L699 HydrophobicContact CD1-CD1 4.1Å; Y674-L699 HydrophobicContact CE1-CD1 4.04Å |
| 675 | S | 83.6 | Confident | 82.9 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -53.6 | -41.6 | 169.2 | 45.2 | 0 | 0 | 0 | 0 | 112.3 | C673 V677 A678 E679 | C673-S675 PolarHBondContact O-N 2.88Å; S675-V677 PolarHBondContact O-N 3.47Å; S675-V677 VanDerWaalsContact O-N 3.15Å; S675-A678 PolarHBondContact O-N 2.87Å; S675-A678 VanDerWaalsContact O-N 3.1Å; S675-E679 PolarHBondContact O-N 3.46Å |
| 676 | N | 84.1 | Confident | 81.8 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 25% | 0.251 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -23.6 | -179.7 | -53.6 | -2.2 | 0 | 0 | 0 | 112.5 | I667 C673 Y674 W680 | I667-N676 WeakPolarHBondContact O-CB 3.27Å; I667-N676 PolarHBondContact O-ND2 2.98Å; C673-N676 VanDerWaalsContact O-CB 3.29Å; C673-N676 WeakPolarHBondContact O-CB 3.25Å; C673-N676 PolarHBondContact O-N 2.96Å; C673-N676 VanDerWaalsContact O-N 3.14Å; Y674-N676 PolarHBondContact O-N 3.35Å; N676-W680 VanDerWaalsContact O-CB 3.27Å; N676-W680 WeakPolarHBondContact O-CB 3.3Å; N676-W680 PolarHBondContact O-N 2.86Å |
| 677 | V | 86.8 | Confident | 81.1 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.9 | -42.9 | 176.8 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | C668 Y674 S675 E679 W680 L681 L689 L699 | C668-V677 HydrophobicContact CB-CG2 4.05Å; Y674-V677 WeakPolarHBondContact O-CB 3.49Å; Y674-V677 PolarHBondContact O-N 2.87Å; Y674-V677 VanDerWaalsContact O-N 3.12Å; S675-V677 PolarHBondContact O-N 3.47Å; S675-V677 VanDerWaalsContact O-N 3.15Å; V677-E679 PolarHBondContact O-N 2.81Å; V677-W680 HydrophobicContact CG1-CE3 3.99Å; V677-W680 HydrophobicContact CG1-CZ3 4.25Å; V677-W680 PolarHBondContact O-N 2.9Å; V677-L681 HydrophobicContact CG1-CD1 4.38Å; V677-L681 WeakPolarHBondContact O-CB 3.27Å; V677-L681 VanDerWaalsContact O-CG 3.31Å; V677-L681 WeakPolarHBondContact O-CG 3.4Å; V677-L681 PolarHBondContact O-N 3.18Å; V677-L681 VanDerWaalsContact O-N 3.08Å; V677-L689 HydrophobicContact CG1-CD2 4.33Å; V677-L689 HydrophobicContact CG2-CD2 4.27Å; V677-L699 HydrophobicContact CG2-CD1 3.74Å |
| 678 | A | 82.6 | Confident | 80.9 | Confident | 56 Ų | 56 | 55.2 Ų | 55.2 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.2 | -12.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S675 R682 | S675-A678 PolarHBondContact O-N 2.87Å; S675-A678 VanDerWaalsContact O-N 3.1Å; A678-R682 PolarHBondContact O-NE 2.74Å; A678-R682 PolarHBondContact O-NH2 3.07Å |
| 679 | E | 82.2 | Confident | 80.9 | Confident | 68 Ų | 68 | 55.2 Ų | 55.2 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -85.4 | -51.4 | 168.4 | -175.6 | 172.2 | -127.3 | 0 | 0 | 111.7 | S675 V677 L681 R682 Q683 | S675-E679 PolarHBondContact O-N 3.46Å; V677-E679 PolarHBondContact O-N 2.81Å; E679-L681 PolarHBondContact O-N 3.13Å; E679-R682 WeakPolarHBondContact O-CA 3.45Å; E679-R682 WeakPolarHBondContact O-CB 3.43Å; E679-R682 PolarHBondContact O-N 3.05Å; E679-Q683 HydrophobicContact CG-CG 4.08Å; E679-Q683 VanDerWaalsContact CG-NE2 3.33Å; E679-Q683 VanDerWaalsContact CG-OE1 3.27Å; E679-Q683 PolarHBondContact O-N 3.07Å; E679-Q683 PolarHBondContact OE1-NE2 3.3Å |
| 680 | W | 86.8 | Confident | 81 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -49.5 | -52 | 174.5 | 165.2 | 58.7 | 0 | 0 | 0 | 112.3 | P640 A641 V642 H666 N676 V677 R682 S684 G687 L689 C701 I704 | P640-W680 HydrophobicContact CB-CH2 3.99Å; P640-W680 HydrophobicContact CB-CZ2 3.57Å; A641-W680 WeakPolarHBondContact O-CZ2 3.12Å; V642-W680 HydrophobicContact CG2-CH2 3.65Å; V642-W680 HydrophobicContact CG2-CZ2 4.24Å; V642-W680 HydrophobicContact CG2-CZ3 4.44Å; H666-W680 HydrophobicContact CB-CB 3.99Å; H666-W680 HydrophobicContact CB-CG 4.37Å; H666-W680 AromaticContact CD2-CD1 3.71Å; N676-W680 VanDerWaalsContact O-CB 3.27Å; N676-W680 WeakPolarHBondContact O-CB 3.3Å; N676-W680 PolarHBondContact O-N 2.86Å; V677-W680 HydrophobicContact CG1-CE3 3.99Å; V677-W680 HydrophobicContact CG1-CZ3 4.25Å; V677-W680 PolarHBondContact O-N 2.9Å; W680-R682 PolarHBondContact O-N 3.47Å; W680-S684 CarbonylContact O-C 3.6Å; W680-S684 PolarHBondContact O-N 3.13Å; W680-G687 VanDerWaalsContact NE1-C 3.34Å; W680-G687 PolarHBondContact NE1-O 3.29Å; W680-L689 HydrophobicContact CD2-CB 3.82Å; W680-L689 HydrophobicContact CD2-CD1 4.43Å; W680-L689 HydrophobicContact CD2-CD2 4.33Å; W680-L689 HydrophobicContact CD2-CG 4.41Å; W680-L689 HydrophobicContact CE3-CB 4.11Å; W680-L689 HydrophobicContact CE3-CD2 3.79Å; W680-L689 HydrophobicContact CE3-CG 4.35Å; W680-L689 HydrophobicContact CG-CB 4.34Å; W680-L689 HydrophobicContact CG-CD1 4.48Å; W680-L689 HydrophobicContact CH2-CB 4.14Å; W680-L689 HydrophobicContact CH2-CD2 4.3Å; W680-L689 HydrophobicContact CZ2-CB 3.83Å; W680-L689 HydrophobicContact CZ3-CB 4.28Å; W680-L689 HydrophobicContact CZ3-CD2 3.79Å; W680-C701 HydrophobicContact CH2-CB 4.2Å; W680-C701 HydrophobicContact CZ3-CB 3.9Å; W680-I704 HydrophobicContact CH2-CG2 4.33Å |
| 681 | L | 81.5 | Confident | 81.4 | Confident | 75 Ų | 75 | 50.6 Ų | 50.6 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.2 | -14.6 | 178.1 | -70.3 | 172.1 | 0 | 0 | 0 | 114.5 | V677 E679 | V677-L681 HydrophobicContact CG1-CD1 4.38Å; V677-L681 WeakPolarHBondContact O-CB 3.27Å; V677-L681 VanDerWaalsContact O-CG 3.31Å; V677-L681 WeakPolarHBondContact O-CG 3.4Å; V677-L681 PolarHBondContact O-N 3.18Å; V677-L681 VanDerWaalsContact O-N 3.08Å; E679-L681 PolarHBondContact O-N 3.13Å |
| 682 | R | 78.3 | Confident | 81.9 | Confident | 171 Ų | 171 | 46.3 Ų | 46.3 | 65% | 0.645 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -108.4 | -42.1 | -174.8 | -164.1 | -159.8 | -37.1 | 141.1 | 16.9 | 112.9 | A678 E679 W680 | A678-R682 PolarHBondContact O-NE 2.74Å; A678-R682 PolarHBondContact O-NH2 3.07Å; E679-R682 WeakPolarHBondContact O-CA 3.45Å; E679-R682 WeakPolarHBondContact O-CB 3.43Å; E679-R682 PolarHBondContact O-N 3.05Å; W680-R682 PolarHBondContact O-N 3.47Å |
| 683 | Q | 69.8 | Low | 82.3 | Confident | 107 Ų | 107 | 42.3 Ų | 42.3 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -92.8 | -23.3 | -176.3 | -70.3 | 175.3 | -1.3 | 0 | 0 | 113 | E679 | E679-Q683 HydrophobicContact CG-CG 4.08Å; E679-Q683 VanDerWaalsContact CG-NE2 3.33Å; E679-Q683 VanDerWaalsContact CG-OE1 3.27Å; E679-Q683 PolarHBondContact O-N 3.07Å; E679-Q683 PolarHBondContact OE1-NE2 3.3Å |
| 684 | S | 64.4 | Low | 82.5 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | trans | -153.5 | 73.3 | -174.9 | -75.4 | 0 | 0 | 0 | 0 | 111.2 | W680 S686 G687 | W680-S684 CarbonylContact O-C 3.6Å; W680-S684 PolarHBondContact O-N 3.13Å; S684-S686 PolarHBondContact O-N 3.36Å; S684-S686 VanDerWaalsContact O-N 3.17Å; S684-G687 WeakPolarHBondContact O-CA 3.26Å; S684-G687 PolarHBondContact O-N 3.43Å | ||
| 685 | P | 59.7 | Low | 82.8 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.2 | 174.3 | 26.7 | -35.3 | 0 | 0 | 0 | 113.2 | E639 P640 | E639-P685 CarbonylContact C-O 3.58Å; P640-P685 WeakPolarHBondContact CA-O 3.42Å; P640-P685 WeakPolarHBondContact CB-O 3.39Å; P640-P685 WeakPolarHBondContact CD-O 3.46Å |
| 686 | S | 62.9 | Low | 83.2 | Confident | 77 Ų | 77 | 39.3 Ų | 39.3 | 54% | 0.538 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 12.2 | 169.4 | 61 | 0 | 0 | 0 | 0 | 114 | S684 | S684-S686 PolarHBondContact O-N 3.36Å; S684-S686 VanDerWaalsContact O-N 3.17Å |
| 687 | G | 75.6 | Confident | 83.3 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | trans | -88.3 | 162.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A641 W680 S684 | A641-G687 PolarHBondContact N-O 2.65Å; W680-G687 VanDerWaalsContact NE1-C 3.34Å; W680-G687 PolarHBondContact NE1-O 3.29Å; S684-G687 WeakPolarHBondContact O-CA 3.26Å; S684-G687 PolarHBondContact O-N 3.43Å | ||
| 688 | L | 87.2 | Confident | 83.3 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 132.6 | 175.4 | -174.5 | 64 | 0 | 0 | 0 | 111 | A641 M643 L658 A665 H666 L690 | A641-L688 HydrophobicContact CB-CD1 3.7Å; M643-L688 HydrophobicContact CB-CD1 3.99Å; M643-L688 HydrophobicContact CE-CD1 4.37Å; M643-L688 HydrophobicContact CE-CD2 3.95Å; M643-L688 HydrophobicContact SD-CD2 4.49Å; L658-L688 HydrophobicContact CD1-CD2 3.73Å; A665-L688 CarbonylContact C-O 3.2Å; A665-L688 VanDerWaalsContact CA-O 3.24Å; A665-L688 WeakPolarHBondContact CA-O 3.44Å; A665-L688 HydrophobicContact CB-CB 4.18Å; A665-L688 HydrophobicContact CB-CD2 4.43Å; A665-L688 HydrophobicContact CB-CG 4.49Å; H666-L688 PolarHBondContact N-O 3.01Å; L688-L690 HydrophobicContact CD2-CD2 3.78Å; L688-L690 HydrophobicContact CG-CD2 4.01Å |
| 689 | L | 92 | Very high | 83.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 117.3 | 169.5 | -177 | 71.4 | 0 | 0 | 0 | 110.4 | A641 M643 H666 C668 V677 W680 V691 L699 | A641-L689 PolarHBondContact O-N 2.85Å; M643-L689 PolarHBondContact N-O 3.32Å; H666-L689 HydrophobicContact CB-CD1 3.83Å; C668-L689 HydrophobicContact CB-CD1 4.32Å; V677-L689 HydrophobicContact CG1-CD2 4.33Å; V677-L689 HydrophobicContact CG2-CD2 4.27Å; W680-L689 HydrophobicContact CD2-CB 3.82Å; W680-L689 HydrophobicContact CD2-CD1 4.43Å; W680-L689 HydrophobicContact CD2-CD2 4.33Å; W680-L689 HydrophobicContact CD2-CG 4.41Å; W680-L689 HydrophobicContact CE3-CB 4.11Å; W680-L689 HydrophobicContact CE3-CD2 3.79Å; W680-L689 HydrophobicContact CE3-CG 4.35Å; W680-L689 HydrophobicContact CG-CB 4.34Å; W680-L689 HydrophobicContact CG-CD1 4.48Å; W680-L689 HydrophobicContact CH2-CB 4.14Å; W680-L689 HydrophobicContact CH2-CD2 4.3Å; W680-L689 HydrophobicContact CZ2-CB 3.83Å; W680-L689 HydrophobicContact CZ3-CB 4.28Å; W680-L689 HydrophobicContact CZ3-CD2 3.79Å; L689-V691 HydrophobicContact CD2-CG1 3.79Å; L689-V691 HydrophobicContact CG-CG1 3.74Å; L689-L699 HydrophobicContact CD2-CD2 4.37Å |
| 690 | L | 94.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 127.6 | 173.3 | -51.2 | 179.3 | 0 | 0 | 0 | 110.4 | M643 V651 R655 L658 A665 H666 I667 C668 L688 | M643-L690 HydrophobicContact CB-CD2 4.01Å; M643-L690 HydrophobicContact CG-CD2 4.21Å; M643-L690 HydrophobicContact SD-CD2 3.64Å; V651-L690 HydrophobicContact CG1-CB 3.69Å; V651-L690 HydrophobicContact CG1-CD1 4.14Å; R655-L690 HydrophobicContact CB-CD1 3.96Å; R655-L690 HydrophobicContact CG-CD1 4.49Å; L658-L690 HydrophobicContact CD1-CD1 4.13Å; L658-L690 HydrophobicContact CD1-CD2 3.98Å; A665-L690 HydrophobicContact CB-CD1 4.09Å; A665-L690 HydrophobicContact CB-CD2 4.5Å; A665-L690 HydrophobicContact CB-CG 4.01Å; H666-L690 PolarHBondContact O-N 3.42Å; I667-L690 WeakPolarHBondContact CA-O 3.41Å; I667-L690 HydrophobicContact CG1-CB 4.42Å; I667-L690 HydrophobicContact CG1-CD1 4.43Å; C668-L690 PolarHBondContact N-O 3.4Å; L688-L690 HydrophobicContact CD2-CD2 3.78Å; L688-L690 HydrophobicContact CG-CD2 4.01Å |
| 691 | V | 95.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 163.1 | -178.9 | -52.2 | 0 | 0 | 0 | 0 | 113.3 | V642 M643 V644 C645 C668 L689 V695 V696 L699 | V642-V691 HydrophobicContact CG1-CG1 4.42Å; V642-V691 HydrophobicContact CG1-CG2 3.96Å; M643-V691 PolarHBondContact O-N 2.81Å; V644-V691 WeakPolarHBondContact CA-O 3.34Å; V644-V691 HydrophobicContact CB-CG2 4.25Å; V644-V691 HydrophobicContact CG1-CG2 4.22Å; V644-V691 HydrophobicContact CG2-CG2 3.81Å; C645-V691 PolarHBondContact N-O 3.01Å; C668-V691 HydrophobicContact CB-CG1 4.02Å; C668-V691 VanDerWaalsContact O-CA 3.29Å; C668-V691 WeakPolarHBondContact O-CA 3.11Å; C668-V691 WeakPolarHBondContact O-CB 3.34Å; L689-V691 HydrophobicContact CD2-CG1 3.79Å; L689-V691 HydrophobicContact CG-CG1 3.74Å; V691-V695 HydrophobicContact CB-CG2 3.79Å; V691-V695 HydrophobicContact CG1-CG2 4.3Å; V691-V696 HydrophobicContact CG2-CG2 4.31Å; V691-L699 HydrophobicContact CG1-CD2 3.88Å; V691-L699 HydrophobicContact CG2-CD2 4.4Å |
| 692 | T | 94.9 | Very high | 83.7 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 160.9 | 167.6 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | V651 V669 D694 V695 | V651-T692 HydrophobicContact CG2-CG2 4.14Å; V669-T692 HydrophobicContact CG1-CG2 4.14Å; V669-T692 PolarHBondContact O-OG1 2.88Å; T692-D694 PolarHBondContact O-N 3.11Å; T692-D694 VanDerWaalsContact O-N 3.07Å; T692-V695 WeakPolarHBondContact O-CG2 3.26Å; T692-V695 PolarHBondContact O-N 2.97Å |
| 693 | D | 93.3 | Very high | 84 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20.2 | 175.1 | -80.2 | -62.3 | 0 | 0 | 0 | 114.4 | A713 R722 | D693-A713 WeakPolarHBondContact OD2-CB 3.32Å; D693-R722 VanDerWaalsContact OD1-CG 3.31Å; D693-R722 WeakPolarHBondContact OD1-CG 3.49Å; D693-R722 IonicContact OD1-CZ 3.54Å; D693-R722 IonicContact OD1-NE 2.7Å; D693-R722 PolarHBondContact OD1-NE 3.07Å; D693-R722 IonicContact OD1-NH2 2.7Å; D693-R722 IonicContact OD2-CZ 3.72Å; D693-R722 IonicContact OD2-NE 3.6Å; D693-R722 PolarHBondContact OD2-NE 2.76Å; D693-R722 IonicContact OD2-NH2 3.69Å; D693-R722 PolarHBondContact OD2-NH2 3.25Å |
| 694 | D | 91.4 | Very high | 84.9 | Confident | 99 Ų | 99 | 42.5 Ų | 42.5 | 53% | 0.529 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -31.2 | -176.2 | -62 | -67.6 | 0 | 0 | 0 | 114.1 | T692 P697 R718 | T692-D694 PolarHBondContact O-N 3.11Å; T692-D694 VanDerWaalsContact O-N 3.07Å; D694-P697 WeakPolarHBondContact O-CD 3.34Å; D694-R718 IonicContact OD1-CZ 2.74Å; D694-R718 VanDerWaalsContact OD1-CZ 3.25Å; D694-R718 IonicContact OD1-NH1 3.41Å; D694-R718 PolarHBondContact OD1-NH1 3.42Å; D694-R718 IonicContact OD1-NH2 2.74Å; D694-R718 PolarHBondContact OD1-NH2 3.24Å; D694-R718 IonicContact OD2-NH2 3.53Å; D694-R718 PolarHBondContact OD2-NH2 3.05Å |
| 695 | V | 92.4 | Very high | 85.9 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -26.2 | 177 | -67.3 | 0 | 0 | 0 | 0 | 112.8 | C668 Y674 V691 T692 R698 L699 | C668-V695 WeakPolarHBondContact O-CG2 3.23Å; Y674-V695 HydrophobicContact CE1-CB 4.08Å; Y674-V695 HydrophobicContact CE1-CG1 4.26Å; V691-V695 HydrophobicContact CB-CG2 3.79Å; V691-V695 HydrophobicContact CG1-CG2 4.3Å; T692-V695 WeakPolarHBondContact O-CG2 3.26Å; T692-V695 PolarHBondContact O-N 2.97Å; V695-R698 PolarHBondContact O-N 2.96Å; V695-R698 VanDerWaalsContact O-N 3.13Å; V695-L699 HydrophobicContact CG2-CD1 4.41Å; V695-L699 WeakPolarHBondContact O-CB 3.36Å; V695-L699 PolarHBondContact O-N 2.67Å; V695-L699 VanDerWaalsContact O-N 3.08Å |
| 696 | V | 91.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -45.5 | -46.8 | -177 | 169.7 | 0 | 0 | 0 | 0 | 114.2 | V644 V691 R698 L699 N721 L725 | V644-V696 HydrophobicContact CG1-CG2 4.32Å; V644-V696 HydrophobicContact CG2-CG2 4.44Å; V691-V696 HydrophobicContact CG2-CG2 4.31Å; V696-R698 PolarHBondContact O-N 3.49Å; V696-L699 PolarHBondContact O-N 2.87Å; V696-N721 WeakPolarHBondContact CG1-O 3.34Å; V696-L725 HydrophobicContact CG1-CG 4.46Å |
| 697 | P | 86.8 | Confident | 88.9 | Confident | 84 Ų | 84 | 36.5 Ų | 36.5 | 55% | 0.545 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -62.6 | -14.1 | -174.7 | -19.8 | 31.1 | 0 | 0 | 0 | 115.5 | D694 | D694-P697 WeakPolarHBondContact O-CD 3.34Š|
| 698 | R | 86 | Confident | 89.8 | Confident | 163 Ų | 163 | 36 Ų | 36 | 62% | 0.615 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -126.8 | -4.1 | -178.5 | -72.5 | 173 | 172.2 | -169.4 | 0.2 | 113.2 | E671 Y674 V695 V696 | E671-R698 WeakPolarHBondContact OE1-CD 3.33Å; E671-R698 IonicContact OE1-CZ 2.66Å; E671-R698 IonicContact OE1-NE 2.72Å; E671-R698 IonicContact OE1-NH1 3.64Å; E671-R698 PolarHBondContact OE1-NH1 3.26Å; E671-R698 IonicContact OE2-NH1 2.62Å; E671-R698 PolarHBondContact OE2-NH1 3.03Å; Y674-R698 WeakPolarHBondContact OH-CB 3.46Å; V695-R698 PolarHBondContact O-N 2.96Å; V695-R698 VanDerWaalsContact O-N 3.13Å; V696-R698 PolarHBondContact O-N 3.49Å |
| 699 | L | 88.6 | Confident | 90.2 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | trans | -68.6 | 130.9 | -176.2 | -163.4 | 71.3 | 0 | 0 | 0 | 111.2 | C668 Y674 V677 L689 V691 V695 V696 C701 L725 | C668-L699 HydrophobicContact CB-CD1 4.47Å; Y674-L699 HydrophobicContact CD1-CD1 4.1Å; Y674-L699 HydrophobicContact CE1-CD1 4.04Å; V677-L699 HydrophobicContact CG2-CD1 3.74Å; L689-L699 HydrophobicContact CD2-CD2 4.37Å; V691-L699 HydrophobicContact CG1-CD2 3.88Å; V691-L699 HydrophobicContact CG2-CD2 4.4Å; V695-L699 HydrophobicContact CG2-CD1 4.41Å; V695-L699 WeakPolarHBondContact O-CB 3.36Å; V695-L699 PolarHBondContact O-N 2.67Å; V695-L699 VanDerWaalsContact O-N 3.08Å; V696-L699 PolarHBondContact O-N 2.87Å; L699-C701 WeakPolarHBondContact CD2-SG 3.39Å; L699-L725 HydrophobicContact CB-CD2 4.07Å; L699-L725 HydrophobicContact CD2-CD2 3.92Å; L699-L725 HydrophobicContact CG-CD2 4.38Å | ||
| 700 | K | 85.3 | Confident | 90.3 | Very high | 183 Ų | 183 | 36 Ų | 36 | 80% | 0.796 | 18% | 0.182 | S | C | * | . | trans | -116.9 | 76.8 | -177.2 | -65.7 | -179.5 | -176 | 175.2 | 0 | 111.3 | G702 | K700-G702 VanDerWaalsContact C-N 3.31Å; K700-G702 PolarHBondContact O-N 3.14Å | ||
| 701 | C | 82.5 | Confident | 90.3 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | trans | -78.7 | -3.2 | -177.6 | -63 | 0 | 0 | 0 | 0 | 115.5 | V642 W680 L699 I704 | V642-C701 HydrophobicContact CG2-CB 4.28Å; W680-C701 HydrophobicContact CH2-CB 4.2Å; W680-C701 HydrophobicContact CZ3-CB 3.9Å; L699-C701 WeakPolarHBondContact CD2-SG 3.39Å; C701-I704 HydrophobicContact CB-CG2 3.72Å | ||
| 702 | G | 84.3 | Confident | 90.1 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 43% | 0.433 | 19% | 0.191 | S | C | . | . | trans | 67.5 | -150.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K700 A728 | K700-G702 VanDerWaalsContact C-N 3.31Å; K700-G702 PolarHBondContact O-N 3.14Å; G702-A728 WeakPolarHBondContact O-CB 3.4Å | ||
| 703 | K | 86.1 | Confident | 89.9 | Confident | 105 Ų | 105 | 37.5 Ų | 37.5 | 46% | 0.457 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -79.8 | 131.8 | 176.4 | -64.6 | -169.5 | 176.7 | -175.3 | 0 | 110.3 | A728 N729 S732 | K703-A728 WeakPolarHBondContact CE-O 3.24Å; K703-A728 HydrophobicContact CG-CB 4.27Å; K703-N729 VanDerWaalsContact CA-OD1 3.24Å; K703-N729 WeakPolarHBondContact CA-OD1 3.23Å; K703-S732 PolarHBondContact NZ-OG 3.49Å; K703-S732 VanDerWaalsContact NZ-OG 3.1Å |
| 704 | I | 87.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -123.4 | 114.8 | 179.8 | 54.5 | 148.8 | 0 | 0 | 0 | 112.3 | V642 W680 C701 L706 L707 L725 F726 N729 | V642-I704 HydrophobicContact CB-CD1 4.39Å; V642-I704 HydrophobicContact CG2-CD1 4.23Å; V642-I704 HydrophobicContact CG2-CG2 3.83Å; W680-I704 HydrophobicContact CH2-CG2 4.33Å; C701-I704 HydrophobicContact CB-CG2 3.72Å; I704-L706 PolarHBondContact O-N 3.5Å; I704-L707 HydrophobicContact CD1-CB 4.26Å; I704-L707 HydrophobicContact CD1-CD1 4.42Å; I704-L725 HydrophobicContact CD1-CB 3.61Å; I704-L725 HydrophobicContact CG1-CB 4.34Å; I704-F726 HydrophobicContact CD1-CD1 4.28Å; I704-F726 HydrophobicContact CD1-CE1 4.15Å; I704-F726 HydrophobicContact CG1-CD1 4.13Å; I704-F726 HydrophobicContact CG1-CE1 4.26Å; I704-F726 WeakPolarHBondContact O-CE1 3.44Å; I704-N729 PolarHBondContact N-OD1 3.3Å; I704-N729 PolarHBondContact O-ND2 3.13Å | ||
| 705 | P | 86.7 | Confident | 89.5 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -73.8 | -11.3 | 177.9 | 29.5 | -37.3 | 0 | 0 | 0 | 114.2 | R633 E639 P640 Q740 | R633-P705 PolarHBondContact NH1-O 3.34Å; R633-P705 PolarHBondContact NH2-O 3.24Å; E639-P705 HydrophobicContact CB-CG 3.72Å; E639-P705 HydrophobicContact CG-CB 4.49Å; E639-P705 HydrophobicContact CG-CG 3.88Å; P640-P705 VanDerWaalsContact O-CD 3.28Å; P640-P705 WeakPolarHBondContact O-CD 3.43Å; P705-Q740 PolarHBondContact O-N 3.36Å |
| 706 | L | 89.8 | Confident | 89.5 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 128.8 | -176.7 | 177.1 | 59.5 | 0 | 0 | 0 | 113 | L629 A641 V642 I704 I708 Q740 V742 | L629-L706 HydrophobicContact CD2-CD1 4.2Å; L629-L706 HydrophobicContact CD2-CD2 3.46Å; L629-L706 VanDerWaalsContact CD2-CD2 3.46Å; L629-L706 HydrophobicContact CD2-CG 4.48Å; A641-L706 HydrophobicContact CB-CB 4.25Å; A641-L706 HydrophobicContact CB-CD2 3.85Å; A641-L706 HydrophobicContact CB-CG 4.19Å; V642-L706 PolarHBondContact N-O 3.08Å; V642-L706 VanDerWaalsContact N-O 3.12Å; I704-L706 PolarHBondContact O-N 3.5Å; L706-I708 HydrophobicContact CD1-CG1 4.01Å; L706-I708 HydrophobicContact CD2-CD1 4.18Å; L706-I708 HydrophobicContact CD2-CG1 4.3Å; L706-I708 HydrophobicContact CG-CD1 4.45Å; L706-I708 HydrophobicContact CG-CG1 4.05Å; L706-Q740 WeakPolarHBondContact CA-O 3.45Å; L706-V742 HydrophobicContact CD1-CG2 4.04Å |
| 707 | L | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.8 | 169 | -177.2 | 62 | 0 | 0 | 0 | 109.9 | V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742 | V642-L707 HydrophobicContact CB-CD1 4.16Å; V642-L707 HydrophobicContact CG1-CD1 4.25Å; V642-L707 CarbonylContact O-C 3.29Å; V642-L707 WeakPolarHBondContact O-CA 3.37Å; V644-L707 HydrophobicContact CG2-CD1 3.88Å; I704-L707 HydrophobicContact CD1-CB 4.26Å; I704-L707 HydrophobicContact CD1-CD1 4.42Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.32Å; L707-R722 HydrophobicContact CD2-CB 4.33Å; L707-R722 WeakPolarHBondContact CD2-O 3.4Å; L707-L725 HydrophobicContact CD1-CD1 3.73Å; L707-F726 HydrophobicContact CB-CE1 4.3Å; L707-F726 HydrophobicContact CB-CE2 3.8Å; L707-F726 HydrophobicContact CB-CZ 3.43Å; L707-F726 VanDerWaalsContact CB-CZ 3.43Å; L707-F726 HydrophobicContact CD2-CD2 4.35Å; L707-F726 HydrophobicContact CD2-CE2 3.65Å; L707-F726 HydrophobicContact CD2-CZ 4.19Å; L707-F726 HydrophobicContact CG-CE2 4.39Å; L707-F726 HydrophobicContact CG-CZ 4.47Å; L707-Q740 PolarHBondContact N-O 3.48Å; L707-S741 CarbonylContact O-C 3.6Å; L707-S741 WeakPolarHBondContact O-CA 3.44Å; L707-V742 PolarHBondContact O-N 3.37Å |
| 708 | I | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.2 | 176.3 | -53.1 | 170.8 | 0 | 0 | 0 | 109.7 | L626 L629 V642 M643 V644 L706 V742 F744 | L626-I708 HydrophobicContact CD1-CD1 3.8Å; L629-I708 HydrophobicContact CD1-CD1 4.1Å; L629-I708 HydrophobicContact CD1-CG1 4.31Å; L629-I708 HydrophobicContact CD2-CD1 4.25Å; V642-I708 PolarHBondContact O-N 2.92Å; M643-I708 CarbonylContact C-O 3.52Å; M643-I708 VanDerWaalsContact CA-O 3.29Å; M643-I708 WeakPolarHBondContact CA-O 3.31Å; M643-I708 HydrophobicContact CB-CB 4.19Å; M643-I708 HydrophobicContact CE-CB 4.04Å; M643-I708 HydrophobicContact CE-CD1 3.64Å; M643-I708 HydrophobicContact CE-CG1 4.45Å; M643-I708 HydrophobicContact CE-CG2 3.92Å; M643-I708 HydrophobicContact CG-CB 4.13Å; M643-I708 HydrophobicContact CG-CG2 4.34Å; V644-I708 PolarHBondContact N-O 3.04Å; L706-I708 HydrophobicContact CD1-CG1 4.01Å; L706-I708 HydrophobicContact CD2-CD1 4.18Å; L706-I708 HydrophobicContact CD2-CG1 4.3Å; L706-I708 HydrophobicContact CG-CD1 4.45Å; L706-I708 HydrophobicContact CG-CG1 4.05Å; I708-V742 CarbonylContact C-O 3.53Å; I708-V742 WeakPolarHBondContact CA-O 3.44Å; I708-F744 HydrophobicContact CG2-CE2 4.39Å; I708-F744 HydrophobicContact CG2-CZ 4.41Å |
| 709 | H | 96.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 90.2 | 175.1 | -53.4 | -126.5 | 0 | 0 | 0 | 106.7 | L707 S711 F719 R722 F723 S741 V742 V743 F744 | L707-H709 WeakPolarHBondContact CD2-NE2 3.32Å; H709-S711 VanDerWaalsContact C-N 3.31Å; H709-S711 PolarHBondContact O-N 3.3Å; H709-F719 HydrophobicContact CB-CE2 4.21Å; H709-F719 AromaticContact CE1-CE2 3.98Å; H709-F719 AromaticContact CG-CE2 3.95Å; H709-F719 AromaticContact ND1-CD2 3.73Å; H709-F719 AromaticContact ND1-CE2 3.23Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.41Å; H709-F719 AromaticContact ND1-CZ 3.83Å; H709-R722 WeakPolarHBondContact ND1-CD 3.32Å; H709-F723 AromaticContact CE1-CE2 3.36Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.49Å; H709-F723 AromaticContact CE1-CZ 3.63Å; H709-F723 AromaticContact NE2-CE2 3.94Å; H709-F723 AromaticContact NE2-CZ 3.74Å; H709-S741 PolarHBondContact CD2-OG 3.03Å; H709-S741 VanDerWaalsContact CD2-OG 3.31Å; H709-S741 PolarHBondContact NE2-OG 2.84Å; H709-V742 PolarHBondContact N-O 2.82Å; H709-V743 HydrophobicContact CB-CB 4.41Å; H709-V743 HydrophobicContact CB-CG1 4.26Å; H709-V743 HydrophobicContact CB-CG2 4.24Å; H709-F744 PolarHBondContact O-N 2.74Å |
| 710 | Y | 94.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -68.4 | -32.4 | -171 | -174.3 | -88.6 | 0 | 0 | 0 | 112.9 | E619 K622 I623 L626 M643 V644 E650 L654 F744 | E619-Y710 VanDerWaalsContact OE2-CE1 3.24Å; E619-Y710 WeakPolarHBondContact OE2-CE1 3.41Å; E619-Y710 VanDerWaalsContact OE2-CZ 3.3Å; E619-Y710 PolarHBondContact OE2-OH 2.67Å; K622-Y710 HydrophobicContact CB-CE2 4.05Å; K622-Y710 HydrophobicContact CD-CD1 4.45Å; K622-Y710 HydrophobicContact CD-CE1 3.83Å; K622-Y710 HydrophobicContact CD-CE2 4.02Å; K622-Y710 WeakPolarHBondContact CE-O 3.48Å; K622-Y710 PolarHBondContact NZ-O 3.15Å; I623-Y710 HydrophobicContact CD1-CE2 4.48Å; L626-Y710 HydrophobicContact CD2-CE2 4.44Å; M643-Y710 HydrophobicContact CE-CD2 4.46Å; M643-Y710 HydrophobicContact SD-CD2 3.97Å; M643-Y710 HydrophobicContact SD-CG 4.28Å; V644-Y710 PolarHBondContact O-N 2.69Å; V644-Y710 VanDerWaalsContact O-N 3.13Å; E650-Y710 HydrophobicContact CG-CD1 4.35Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.41Å; L654-Y710 HydrophobicContact CD1-CD2 4.38Å; L654-Y710 HydrophobicContact CD1-CE2 3.75Å; L654-Y710 HydrophobicContact CD2-CD1 3.98Å; L654-Y710 HydrophobicContact CD2-CD2 3.52Å; L654-Y710 HydrophobicContact CD2-CE1 4.16Å; L654-Y710 HydrophobicContact CD2-CE2 3.7Å; L654-Y710 HydrophobicContact CD2-CG 3.67Å; L654-Y710 HydrophobicContact CG-CE2 4.41Å; Y710-F744 AromaticContact CD2-CD2 3.96Å; Y710-F744 HydrophobicContact CD2-CD2 3.96Å; Y710-F744 HydrophobicContact CD2-CE2 4.13Å; Y710-F744 HydrophobicContact CE2-CD2 4.32Å; Y710-F744 HydrophobicContact CE2-CE2 4.39Å |
| 711 | S | 92 | Very high | 90.8 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -145 | 154.1 | 168.9 | -69.1 | 0 | 0 | 0 | 0 | 108.3 | K622 E650 H709 R722 | K622-S711 PolarHBondContact NZ-OG 2.84Å; K622-S711 VanDerWaalsContact NZ-OG 3.13Å; E650-S711 VanDerWaalsContact OE1-CB 3.23Å; E650-S711 WeakPolarHBondContact OE1-CB 3.07Å; E650-S711 PolarHBondContact OE1-OG 3.19Å; H709-S711 VanDerWaalsContact C-N 3.31Å; H709-S711 PolarHBondContact O-N 3.3Å; S711-R722 PolarHBondContact O-NH1 2.9Å; S711-R722 PolarHBondContact O-NH2 3.34Å; S711-R722 VanDerWaalsContact O-NH2 3.16Å |
| 712 | F | 91.7 | Very high | 91.4 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 6% | 0.057 | 19% | 0.191 | C | C | . | . | trans | -60.4 | 162.1 | 177.5 | -77 | -75.5 | 0 | 0 | 0 | 112.8 | F719 R722 V743 A745 D749 N752 L756 | F712-F719 AromaticContact CD1-CD2 3.74Å; F712-F719 HydrophobicContact CD1-CD2 3.74Å; F712-F719 AromaticContact CD1-CE2 3.73Å; F712-F719 HydrophobicContact CD1-CE2 3.73Å; F712-F719 HydrophobicContact CD1-CG 4.47Å; F712-F719 HydrophobicContact CD1-CZ 4.48Å; F712-F719 HydrophobicContact CE1-CD2 4.26Å; F712-F719 AromaticContact CE1-CE2 3.83Å; F712-F719 HydrophobicContact CE1-CE2 3.83Å; F712-F719 HydrophobicContact CE1-CZ 4.19Å; F712-R722 PolarHBondContact O-NH2 2.98Å; F712-V743 HydrophobicContact CE1-CG1 3.85Å; F712-V743 HydrophobicContact CZ-CG1 3.83Å; F712-A745 HydrophobicContact CE2-CB 3.56Å; F712-A745 HydrophobicContact CZ-CB 3.88Å; F712-D749 HydrophobicContact CD2-CB 3.75Å; F712-D749 VanDerWaalsContact CD2-CG 3.48Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.31Å; F712-D749 HydrophobicContact CE2-CB 3.6Å; F712-N752 HydrophobicContact CD1-CB 3.74Å; F712-N752 HydrophobicContact CD2-CB 4.01Å; F712-N752 HydrophobicContact CE1-CB 3.66Å; F712-N752 HydrophobicContact CE2-CB 3.91Å; F712-N752 HydrophobicContact CG-CB 3.92Å; F712-N752 HydrophobicContact CZ-CB 3.75Å; F712-L756 HydrophobicContact CE1-CD1 3.84Å; F712-L756 HydrophobicContact CZ-CD1 3.67Å | ||
| 713 | A | 90.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | trans | -82.1 | 153.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | D693 M715 R718 F719 | D693-A713 WeakPolarHBondContact OD2-CB 3.32Å; A713-M715 PolarHBondContact O-N 3.24Å; A713-R718 HydrophobicContact CB-CB 3.83Å; A713-F719 HydrophobicContact CB-CB 3.88Å | ||
| 714 | S | 86.6 | Confident | 92.3 | Very high | 104 Ų | 104 | 27.1 Ų | 27.1 | 73% | 0.727 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -60.2 | -16.6 | 175.7 | 55.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 715 | M | 90.2 | Very high | 92.5 | Very high | 112 Ų | 112 | 27.6 Ų | 27.6 | 55% | 0.552 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -142.4 | 140.3 | 176.5 | -66.4 | -174.5 | -75.2 | 0 | 0 | 110.8 | A713 A717 R718 F719 | A713-M715 PolarHBondContact O-N 3.24Å; M715-A717 PolarHBondContact O-N 3.26Å; M715-R718 HydrophobicContact CE-CG 4.29Å; M715-R718 PolarHBondContact O-N 3.23Å; M715-F719 PolarHBondContact O-N 3.13Å |
| 716 | W | 92.2 | Very high | 92.8 | Very high | 50 Ų | 50 | 26.2 Ų | 26.2 | 19% | 0.189 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.8 | -36.8 | 178.3 | -174.6 | -124.8 | 0 | 0 | 0 | 113.1 | L601 R718 F719 K720 K755 L756 | L601-W716 HydrophobicContact CD2-CH2 4.41Å; L601-W716 HydrophobicContact CD2-CZ2 4.15Å; W716-R718 PolarHBondContact O-N 2.81Å; W716-F719 HydrophobicContact CE3-CB 4.28Å; W716-F719 AromaticContact CE3-CD1 3.68Å; W716-F719 HydrophobicContact CE3-CD1 3.68Å; W716-F719 HydrophobicContact CE3-CE1 4.38Å; W716-F719 HydrophobicContact CE3-CG 4.2Å; W716-F719 AromaticContact CH2-CD1 3.86Å; W716-F719 HydrophobicContact CH2-CD1 3.86Å; W716-F719 AromaticContact CH2-CE1 3.82Å; W716-F719 HydrophobicContact CH2-CE1 3.82Å; W716-F719 AromaticContact CZ3-CD1 3.3Å; W716-F719 HydrophobicContact CZ3-CD1 3.3Å; W716-F719 AromaticContact CZ3-CE1 3.54Å; W716-F719 HydrophobicContact CZ3-CE1 3.54Å; W716-F719 HydrophobicContact CZ3-CG 4.11Å; W716-F719 HydrophobicContact CZ3-CZ 4.49Å; W716-F719 PolarHBondContact O-N 2.81Å; W716-K720 HydrophobicContact CD2-CG 4.32Å; W716-K720 HydrophobicContact CZ2-CD 4.2Å; W716-K720 HydrophobicContact CZ2-CG 4.26Å; W716-K720 WeakPolarHBondContact O-CG 3.23Å; W716-K720 PolarHBondContact O-N 3.31Å; W716-K755 HydrophobicContact CB-CD 4.17Å; W716-K755 HydrophobicContact CD2-CB 4.09Å; W716-K755 HydrophobicContact CD2-CD 3.94Å; W716-K755 HydrophobicContact CE3-CB 4.07Å; W716-K755 HydrophobicContact CE3-CD 4.18Å; W716-K755 HydrophobicContact CG-CD 3.93Å; W716-K755 HydrophobicContact CH2-CB 3.96Å; W716-K755 HydrophobicContact CZ2-CB 3.96Å; W716-K755 HydrophobicContact CZ3-CB 4Å; W716-L756 HydrophobicContact CH2-CD2 4.06Å; W716-L756 HydrophobicContact CH2-CG 4.29Å; W716-L756 HydrophobicContact CZ3-CD2 4.49Å; W716-L756 HydrophobicContact CZ3-CG 4.45Å |
| 717 | A | 90.9 | Very high | 92.8 | Very high | 70 Ų | 70 | 26.3 Ų | 26.3 | 58% | 0.579 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -62.3 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M715 N721 | M715-A717 PolarHBondContact O-N 3.26Å; A717-N721 WeakPolarHBondContact O-CB 3.43Å; A717-N721 PolarHBondContact O-N 3.09Å |
| 718 | R | 92.6 | Very high | 92.4 | Very high | 67 Ų | 67 | 27.3 Ų | 27.3 | 25% | 0.253 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 175 | -73.8 | 174.8 | 65.4 | 119 | -14.5 | 110.9 | D694 A713 M715 W716 K720 N721 R722 | D694-R718 IonicContact OD1-CZ 2.74Å; D694-R718 VanDerWaalsContact OD1-CZ 3.25Å; D694-R718 IonicContact OD1-NH1 3.41Å; D694-R718 PolarHBondContact OD1-NH1 3.42Å; D694-R718 IonicContact OD1-NH2 2.74Å; D694-R718 PolarHBondContact OD1-NH2 3.24Å; D694-R718 IonicContact OD2-NH2 3.53Å; D694-R718 PolarHBondContact OD2-NH2 3.05Å; A713-R718 HydrophobicContact CB-CB 3.83Å; M715-R718 HydrophobicContact CE-CG 4.29Å; M715-R718 PolarHBondContact O-N 3.23Å; W716-R718 PolarHBondContact O-N 2.81Å; R718-K720 PolarHBondContact O-N 3.48Å; R718-N721 WeakPolarHBondContact O-CB 3.1Å; R718-N721 PolarHBondContact O-N 3.32Å; R718-N721 VanDerWaalsContact O-N 3.11Å; R718-R722 PolarHBondContact O-N 3.02Å |
| 719 | F | 95.2 | Very high | 92 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.7 | -47.7 | 174.2 | 176.6 | -93.5 | 0 | 0 | 0 | 112.1 | H709 F712 A713 M715 W716 N721 R722 F723 V743 L756 | H709-F719 HydrophobicContact CB-CE2 4.21Å; H709-F719 AromaticContact CE1-CE2 3.98Å; H709-F719 AromaticContact CG-CE2 3.95Å; H709-F719 AromaticContact ND1-CD2 3.73Å; H709-F719 AromaticContact ND1-CE2 3.23Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.41Å; H709-F719 AromaticContact ND1-CZ 3.83Å; F712-F719 AromaticContact CD1-CD2 3.74Å; F712-F719 HydrophobicContact CD1-CD2 3.74Å; F712-F719 AromaticContact CD1-CE2 3.73Å; F712-F719 HydrophobicContact CD1-CE2 3.73Å; F712-F719 HydrophobicContact CD1-CG 4.47Å; F712-F719 HydrophobicContact CD1-CZ 4.48Å; F712-F719 HydrophobicContact CE1-CD2 4.26Å; F712-F719 AromaticContact CE1-CE2 3.83Å; F712-F719 HydrophobicContact CE1-CE2 3.83Å; F712-F719 HydrophobicContact CE1-CZ 4.19Å; A713-F719 HydrophobicContact CB-CB 3.88Å; M715-F719 PolarHBondContact O-N 3.13Å; W716-F719 HydrophobicContact CE3-CB 4.28Å; W716-F719 AromaticContact CE3-CD1 3.68Å; W716-F719 HydrophobicContact CE3-CD1 3.68Å; W716-F719 HydrophobicContact CE3-CE1 4.38Å; W716-F719 HydrophobicContact CE3-CG 4.2Å; W716-F719 AromaticContact CH2-CD1 3.86Å; W716-F719 HydrophobicContact CH2-CD1 3.86Å; W716-F719 AromaticContact CH2-CE1 3.82Å; W716-F719 HydrophobicContact CH2-CE1 3.82Å; W716-F719 AromaticContact CZ3-CD1 3.3Å; W716-F719 HydrophobicContact CZ3-CD1 3.3Å; W716-F719 AromaticContact CZ3-CE1 3.54Å; W716-F719 HydrophobicContact CZ3-CE1 3.54Å; W716-F719 HydrophobicContact CZ3-CG 4.11Å; W716-F719 HydrophobicContact CZ3-CZ 4.49Å; W716-F719 PolarHBondContact O-N 2.81Å; F719-N721 VanDerWaalsContact C-N 3.33Å; F719-N721 PolarHBondContact O-N 3.01Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.47Å; F719-R722 WeakPolarHBondContact O-CG 3.07Å; F719-R722 PolarHBondContact O-N 2.85Å; F719-F723 HydrophobicContact CD1-CE2 4.37Å; F719-F723 AromaticContact CE1-CE2 3.83Å; F719-F723 HydrophobicContact CE1-CE2 3.83Å; F719-F723 HydrophobicContact CE1-CZ 4.46Å; F719-F723 HydrophobicContact CZ-CE2 4.1Å; F719-F723 HydrophobicContact CZ-CZ 4.48Å; F719-V743 HydrophobicContact CE2-CG1 4.23Å; F719-V743 HydrophobicContact CE2-CG2 4.27Å; F719-V743 HydrophobicContact CZ-CG1 4.42Å; F719-V743 HydrophobicContact CZ-CG2 3.92Å; F719-L756 HydrophobicContact CE1-CD2 4.29Å; F719-L756 HydrophobicContact CZ-CD2 4.35Å |
| 720 | K | 94.7 | Very high | 91.3 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 8% | 0.083 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 175.5 | -67.6 | -164.6 | -67.7 | 174 | 0 | 112.2 | N417 D599 L601 W716 R718 R722 F723 | N417-K720 PolarHBondContact OD1-NZ 3.02Å; D599-K720 WeakPolarHBondContact OD2-CE 3.45Å; D599-K720 IonicContact OD2-NZ 3.48Å; D599-K720 PolarHBondContact OD2-NZ 3.49Å; L601-K720 HydrophobicContact CB-CB 4.01Å; L601-K720 HydrophobicContact CB-CD 4.06Å; L601-K720 HydrophobicContact CB-CG 3.89Å; L601-K720 HydrophobicContact CD2-CD 3.87Å; L601-K720 HydrophobicContact CD2-CG 3.75Å; L601-K720 HydrophobicContact CG-CG 4.47Å; W716-K720 HydrophobicContact CD2-CG 4.32Å; W716-K720 HydrophobicContact CZ2-CD 4.2Å; W716-K720 HydrophobicContact CZ2-CG 4.26Å; W716-K720 WeakPolarHBondContact O-CG 3.23Å; W716-K720 PolarHBondContact O-N 3.31Å; R718-K720 PolarHBondContact O-N 3.48Å; K720-R722 PolarHBondContact O-N 3.48Å; K720-F723 WeakPolarHBondContact O-CB 3.49Å; K720-F723 WeakPolarHBondContact O-CD2 3.31Å; K720-F723 PolarHBondContact O-N 3.01Å; K720-F723 VanDerWaalsContact O-N 3.13Å |
| 721 | N | 93.3 | Very high | 90.4 | Very high | 46 Ų | 46 | 32.3 Ų | 32.3 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -22.9 | 176.8 | -171.2 | 62.8 | 0 | 0 | 0 | 114 | V696 A717 R718 F719 F723 S724 | V696-N721 WeakPolarHBondContact CG1-O 3.34Å; A717-N721 WeakPolarHBondContact O-CB 3.43Å; A717-N721 PolarHBondContact O-N 3.09Å; R718-N721 WeakPolarHBondContact O-CB 3.1Å; R718-N721 PolarHBondContact O-N 3.32Å; R718-N721 VanDerWaalsContact O-N 3.11Å; F719-N721 VanDerWaalsContact C-N 3.33Å; F719-N721 PolarHBondContact O-N 3.01Å; N721-F723 PolarHBondContact O-N 3.39Å; N721-S724 VanDerWaalsContact O-CB 3.27Å; N721-S724 WeakPolarHBondContact O-CB 3.17Å; N721-S724 PolarHBondContact O-N 2.93Å; N721-S724 PolarHBondContact O-OG 2.7Å |
| 722 | R | 95.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -55.5 | -31.6 | 172.1 | -61.7 | 178.4 | 177.3 | -170.1 | 0.6 | 112.8 | V644 D693 L707 H709 S711 F712 R718 F719 K720 S724 L725 | V644-R722 HydrophobicContact CB-CG 4.34Å; V644-R722 HydrophobicContact CG1-CG 4.1Å; V644-R722 VanDerWaalsContact CG1-NE 3.33Å; V644-R722 HydrophobicContact CG2-CB 4.4Å; V644-R722 HydrophobicContact CG2-CG 4.16Å; V644-R722 PolarHBondContact O-NH1 3.11Å; D693-R722 VanDerWaalsContact OD1-CG 3.31Å; D693-R722 WeakPolarHBondContact OD1-CG 3.49Å; D693-R722 IonicContact OD1-CZ 3.54Å; D693-R722 IonicContact OD1-NE 2.7Å; D693-R722 PolarHBondContact OD1-NE 3.07Å; D693-R722 IonicContact OD1-NH2 2.7Å; D693-R722 IonicContact OD2-CZ 3.72Å; D693-R722 IonicContact OD2-NE 3.6Å; D693-R722 PolarHBondContact OD2-NE 2.76Å; D693-R722 IonicContact OD2-NH2 3.69Å; D693-R722 PolarHBondContact OD2-NH2 3.25Å; L707-R722 HydrophobicContact CD2-CB 4.33Å; L707-R722 WeakPolarHBondContact CD2-O 3.4Å; H709-R722 WeakPolarHBondContact ND1-CD 3.32Å; S711-R722 PolarHBondContact O-NH1 2.9Å; S711-R722 PolarHBondContact O-NH2 3.34Å; S711-R722 VanDerWaalsContact O-NH2 3.16Å; F712-R722 PolarHBondContact O-NH2 2.98Å; R718-R722 PolarHBondContact O-N 3.02Å; F719-R722 VanDerWaalsContact O-CB 3.29Å; F719-R722 WeakPolarHBondContact O-CB 3.47Å; F719-R722 WeakPolarHBondContact O-CG 3.07Å; F719-R722 PolarHBondContact O-N 2.85Å; K720-R722 PolarHBondContact O-N 3.48Å; R722-S724 PolarHBondContact O-N 2.68Å; R722-L725 WeakPolarHBondContact O-CG 3.3Å; R722-L725 PolarHBondContact O-N 3.5Å |
| 723 | F | 94.7 | Very high | 87.2 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -71 | -12.5 | 179.1 | -69.6 | -97.2 | 0 | 0 | 0 | 113.6 | A600 L601 L611 H709 F719 K720 N721 L725 F726 S741 | A600-F723 HydrophobicContact CB-CB 4.05Å; A600-F723 WeakPolarHBondContact O-CB 3.46Å; L601-F723 HydrophobicContact CB-CD2 4.17Å; L601-F723 HydrophobicContact CB-CG 4.34Å; L601-F723 HydrophobicContact CD1-CD1 3.9Å; L601-F723 HydrophobicContact CD1-CD2 3.97Å; L601-F723 HydrophobicContact CD1-CE1 3.69Å; L601-F723 HydrophobicContact CD1-CE2 3.78Å; L601-F723 HydrophobicContact CD1-CG 4.04Å; L601-F723 HydrophobicContact CD1-CZ 3.65Å; L611-F723 HydrophobicContact CD1-CE1 4.46Å; L611-F723 HydrophobicContact CD1-CZ 4.19Å; H709-F723 AromaticContact CE1-CE2 3.36Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.49Å; H709-F723 AromaticContact CE1-CZ 3.63Å; H709-F723 AromaticContact NE2-CE2 3.94Å; H709-F723 AromaticContact NE2-CZ 3.74Å; F719-F723 HydrophobicContact CD1-CE2 4.37Å; F719-F723 AromaticContact CE1-CE2 3.83Å; F719-F723 HydrophobicContact CE1-CE2 3.83Å; F719-F723 HydrophobicContact CE1-CZ 4.46Å; F719-F723 HydrophobicContact CZ-CE2 4.1Å; F719-F723 HydrophobicContact CZ-CZ 4.48Å; K720-F723 WeakPolarHBondContact O-CB 3.49Å; K720-F723 WeakPolarHBondContact O-CD2 3.31Å; K720-F723 PolarHBondContact O-N 3.01Å; K720-F723 VanDerWaalsContact O-N 3.13Å; N721-F723 PolarHBondContact O-N 3.39Å; F723-L725 PolarHBondContact O-N 2.97Å; F723-L725 VanDerWaalsContact O-N 3.11Å; F723-F726 HydrophobicContact CB-CD2 4.45Å; F723-F726 HydrophobicContact CD1-CD2 4.07Å; F723-F726 AromaticContact CD1-CE2 3.97Å; F723-F726 HydrophobicContact CD1-CE2 3.97Å; F723-F726 HydrophobicContact CE1-CE2 4.46Å; F723-F726 WeakPolarHBondContact O-CB 3.42Å; F723-F726 PolarHBondContact O-N 3.06Å; F723-S741 WeakPolarHBondContact CZ-OG 3.31Å |
| 724 | S | 93.6 | Very high | 85.4 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -61.1 | -21.3 | 175.8 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | A600 N721 R722 F726 Y727 | A600-S724 VanDerWaalsContact CB-N 3.32Å; N721-S724 VanDerWaalsContact O-CB 3.27Å; N721-S724 WeakPolarHBondContact O-CB 3.17Å; N721-S724 PolarHBondContact O-N 2.93Å; N721-S724 PolarHBondContact O-OG 2.7Å; R722-S724 PolarHBondContact O-N 2.68Å; S724-F726 PolarHBondContact O-N 2.7Å; S724-Y727 WeakPolarHBondContact O-CB 3.48Å; S724-Y727 PolarHBondContact O-N 2.93Å |
| 725 | L | 92.9 | Very high | 83.8 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -61.1 | -25.7 | 173.5 | -59.1 | 174.9 | 0 | 0 | 0 | 112.7 | V642 V696 L699 I704 L707 R722 F723 Y727 | V642-L725 HydrophobicContact CG1-CD1 3.93Å; V696-L725 HydrophobicContact CG1-CG 4.46Å; L699-L725 HydrophobicContact CB-CD2 4.07Å; L699-L725 HydrophobicContact CD2-CD2 3.92Å; L699-L725 HydrophobicContact CG-CD2 4.38Å; I704-L725 HydrophobicContact CD1-CB 3.61Å; I704-L725 HydrophobicContact CG1-CB 4.34Å; L707-L725 HydrophobicContact CD1-CD1 3.73Å; R722-L725 WeakPolarHBondContact O-CG 3.3Å; R722-L725 PolarHBondContact O-N 3.5Å; F723-L725 PolarHBondContact O-N 2.97Å; F723-L725 VanDerWaalsContact O-N 3.11Å; L725-Y727 VanDerWaalsContact C-N 3.31Å; L725-Y727 PolarHBondContact O-N 3.18Å |
| 726 | F | 91.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -77.6 | -8.8 | 174 | -66.2 | -63.8 | 0 | 0 | 0 | 114.2 | V609 I704 L707 F723 S724 A728 N729 L730 | V609-F726 HydrophobicContact CG1-CD1 4.46Å; V609-F726 HydrophobicContact CG1-CD2 3.95Å; V609-F726 HydrophobicContact CG1-CE1 4.14Å; V609-F726 HydrophobicContact CG1-CE2 3.59Å; V609-F726 HydrophobicContact CG1-CG 4.37Å; V609-F726 HydrophobicContact CG1-CZ 3.69Å; V609-F726 HydrophobicContact CG2-CB 4.27Å; V609-F726 HydrophobicContact CG2-CD1 4.35Å; V609-F726 HydrophobicContact CG2-CD2 4.2Å; V609-F726 HydrophobicContact CG2-CG 4.04Å; I704-F726 HydrophobicContact CD1-CD1 4.28Å; I704-F726 HydrophobicContact CD1-CE1 4.15Å; I704-F726 HydrophobicContact CG1-CD1 4.13Å; I704-F726 HydrophobicContact CG1-CE1 4.26Å; I704-F726 WeakPolarHBondContact O-CE1 3.44Å; L707-F726 HydrophobicContact CB-CE1 4.3Å; L707-F726 HydrophobicContact CB-CE2 3.8Å; L707-F726 HydrophobicContact CB-CZ 3.43Å; L707-F726 VanDerWaalsContact CB-CZ 3.43Å; L707-F726 HydrophobicContact CD2-CD2 4.35Å; L707-F726 HydrophobicContact CD2-CE2 3.65Å; L707-F726 HydrophobicContact CD2-CZ 4.19Å; L707-F726 HydrophobicContact CG-CE2 4.39Å; L707-F726 HydrophobicContact CG-CZ 4.47Å; F723-F726 HydrophobicContact CB-CD2 4.45Å; F723-F726 HydrophobicContact CD1-CD2 4.07Å; F723-F726 AromaticContact CD1-CE2 3.97Å; F723-F726 HydrophobicContact CD1-CE2 3.97Å; F723-F726 HydrophobicContact CE1-CE2 4.46Å; F723-F726 WeakPolarHBondContact O-CB 3.42Å; F723-F726 PolarHBondContact O-N 3.06Å; S724-F726 PolarHBondContact O-N 2.7Å; F726-A728 PolarHBondContact O-N 2.85Å; F726-N729 WeakPolarHBondContact O-CB 3.06Å; F726-N729 PolarHBondContact O-N 2.95Å; F726-L730 PolarHBondContact O-N 2.9Å |
| 727 | Y | 90.5 | Very high | 80.6 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -58.4 | -24.9 | -177.7 | -72.6 | -5.1 | 0 | 0 | 0 | 114.1 | N353 G356 L358 A600 A603 S724 L725 L730 | N353-Y727 HydrophobicContact CB-CD2 4.02Å; N353-Y727 HydrophobicContact CB-CG 4.32Å; G356-Y727 VanDerWaalsContact O-CE2 3.3Å; G356-Y727 WeakPolarHBondContact O-CE2 3.22Å; G356-Y727 PolarHBondContact O-OH 2.88Å; L358-Y727 HydrophobicContact CB-CD1 3.97Å; L358-Y727 HydrophobicContact CB-CD2 4.49Å; L358-Y727 HydrophobicContact CB-CE1 3.74Å; L358-Y727 HydrophobicContact CB-CE2 4.29Å; L358-Y727 HydrophobicContact CB-CG 4.33Å; L358-Y727 HydrophobicContact CD1-CD1 4.04Å; L358-Y727 HydrophobicContact CD1-CG 4.05Å; L358-Y727 HydrophobicContact CG-CD1 4.43Å; A600-Y727 HydrophobicContact CB-CE1 3.66Å; A600-Y727 WeakPolarHBondContact CB-OH 3.37Å; A603-Y727 HydrophobicContact CB-CE1 3.92Å; S724-Y727 WeakPolarHBondContact O-CB 3.48Å; S724-Y727 PolarHBondContact O-N 2.93Å; L725-Y727 VanDerWaalsContact C-N 3.31Å; L725-Y727 PolarHBondContact O-N 3.18Å; Y727-L730 HydrophobicContact CD1-CD1 4.37Å |
| 728 | A | 87 | Confident | 80 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -73.9 | -34.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G702 K703 F726 L730 K731 | G702-A728 WeakPolarHBondContact O-CB 3.4Å; K703-A728 WeakPolarHBondContact CE-O 3.24Å; K703-A728 HydrophobicContact CG-CB 4.27Å; F726-A728 PolarHBondContact O-N 2.85Å; A728-L730 VanDerWaalsContact C-N 3.33Å; A728-K731 PolarHBondContact O-N 3.06Å |
| 729 | N | 85.9 | Confident | 79.7 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -64.9 | -42.6 | 178.4 | -53 | 29.1 | 0 | 0 | 0 | 110 | K703 I704 F726 K731 S732 V738 | K703-N729 VanDerWaalsContact CA-OD1 3.24Å; K703-N729 WeakPolarHBondContact CA-OD1 3.23Å; I704-N729 PolarHBondContact N-OD1 3.3Å; I704-N729 PolarHBondContact O-ND2 3.13Å; F726-N729 WeakPolarHBondContact O-CB 3.06Å; F726-N729 PolarHBondContact O-N 2.95Å; N729-K731 PolarHBondContact O-N 3.04Å; N729-S732 PolarHBondContact O-N 2.87Å; N729-V738 HydrophobicContact CB-CG1 3.46Å; N729-V738 VanDerWaalsContact CB-CG1 3.46Å; N729-V738 PolarHBondContact ND2-O 3.06Å |
| 730 | L | 81.6 | Confident | 79.5 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -65.2 | -5.1 | -178.9 | -59.8 | 170.4 | 0 | 0 | 0 | 114.4 | T351 L358 F726 Y727 A728 V738 | T351-L730 PolarHBondContact OG1-O 2.86Å; L358-L730 HydrophobicContact CD1-CB 4.21Å; L358-L730 HydrophobicContact CD1-CD1 4.29Å; L358-L730 HydrophobicContact CD2-CB 4.34Å; L358-L730 HydrophobicContact CD2-CD1 3.56Å; F726-L730 PolarHBondContact O-N 2.9Å; Y727-L730 HydrophobicContact CD1-CD1 4.37Å; A728-L730 VanDerWaalsContact C-N 3.33Å; L730-V738 HydrophobicContact CD2-CG1 3.95Å |
| 731 | K | 74.4 | Confident | 79.5 | Confident | 87 Ų | 87 | 38.7 Ų | 38.7 | 38% | 0.378 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -80.6 | -13.4 | 174.9 | -61.3 | -151.4 | 175.6 | -162.6 | 0 | 115.1 | T351 N353 A728 N729 | T351-K731 HydrophobicContact CG2-CG 3.95Å; T351-K731 WeakPolarHBondContact O-CE 3.34Å; T351-K731 PolarHBondContact O-NZ 3.13Å; N353-K731 WeakPolarHBondContact OD1-CE 3.27Å; N353-K731 PolarHBondContact OD1-NZ 2.85Å; A728-K731 PolarHBondContact O-N 3.06Å; N729-K731 PolarHBondContact O-N 3.04Å |
| 732 | S | 60.2 | Low | 79.6 | Confident | 54 Ų | 54 | 36.5 Ų | 36.5 | 38% | 0.378 | 21% | 0.211 | S | C | . | . | trans | -152.8 | 81.3 | 179 | -17.5 | 0 | 0 | 0 | 0 | 109.9 | K703 N729 T734 | K703-S732 PolarHBondContact NZ-OG 3.49Å; K703-S732 VanDerWaalsContact NZ-OG 3.1Å; N729-S732 PolarHBondContact O-N 2.87Å; S732-T734 PolarHBondContact O-N 2.86Å | ||
| 733 | P | 57.8 | Low | 79.6 | Confident | 79 Ų | 79 | 36.5 Ų | 36.5 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | trans | -80.4 | 56.5 | -179.3 | 35 | -36.7 | 0 | 0 | 0 | 111.5 | T735 | P733-T735 VanDerWaalsContact C-N 3.33Š| ||
| 734 | T | 53 | Low | 79.6 | Confident | 124 Ų | 124 | 36.4 Ų | 36.4 | 76% | 0.761 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -70.9 | -28.1 | -179 | 47.5 | 0 | 0 | 0 | 0 | 113 | S732 | S732-T734 PolarHBondContact O-N 2.86Š|
| 735 | T | 51.8 | Low | 79.7 | Confident | 115 Ų | 115 | 35.5 Ų | 35.5 | 71% | 0.706 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -145.3 | 146.3 | 172.5 | 46.4 | 0 | 0 | 0 | 0 | 109 | P733 | P733-T735 VanDerWaalsContact C-N 3.33Š|
| 736 | R | 57.9 | Low | 79.6 | Confident | 89 Ų | 89 | 37.8 Ų | 37.8 | 34% | 0.336 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -111.2 | 155.3 | 171.7 | -62.1 | -165 | -173.3 | -176.9 | 8.5 | 109.4 | V342 V738 | V342-R736 PolarHBondContact O-NH1 3.03Å; R736-V738 HydrophobicContact CG-CG2 3.97Å |
| 737 | P | 56.7 | Low | 79.6 | Confident | 82 Ų | 82 | 40.3 Ų | 40.3 | 53% | 0.532 | 23% | 0.231 | S | C | . | . | cis | -70.6 | 153.7 | 4.5 | 30.6 | -36.8 | 0 | 0 | 0 | 113.4 | Q610 | Q610-P737 HydrophobicContact CG-CB 4.29Š| ||
| 738 | V | 78.6 | Confident | 79.6 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | trans | -89.7 | -12 | -174.4 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | G607 N729 L730 R736 | G607-V738 VanDerWaalsContact O-CG2 3.28Å; G607-V738 WeakPolarHBondContact O-CG2 3.45Å; N729-V738 HydrophobicContact CB-CG1 3.46Å; N729-V738 VanDerWaalsContact CB-CG1 3.46Å; N729-V738 PolarHBondContact ND2-O 3.06Å; L730-V738 HydrophobicContact CD2-CG1 3.95Å; R736-V738 HydrophobicContact CG-CG2 3.97Å | ||
| 739 | G | 87.3 | Confident | 79.7 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 8% | 0.082 | 26% | 0.264 | C | S | . | . | trans | 168.8 | 174.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V609 Q610 | V609-G739 WeakPolarHBondContact CA-O 3.22Å; Q610-G739 PolarHBondContact N-O 2.98Å | ||
| 740 | Q | 91.1 | Very high | 80 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130 | 172.2 | -170.4 | -174.6 | 15.5 | 0 | 0 | 111 | Q610 P705 L706 L707 V742 | Q610-Q740 HydrophobicContact CB-CG 4.25Å; Q610-Q740 CarbonylContact O-C 3.57Å; Q610-Q740 WeakPolarHBondContact O-CA 3.48Å; P705-Q740 PolarHBondContact O-N 3.36Å; L706-Q740 WeakPolarHBondContact CA-O 3.45Å; L707-Q740 PolarHBondContact N-O 3.48Å; Q740-V742 HydrophobicContact CG-CG2 4Å |
| 741 | S | 94.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.3 | 162.5 | 171.4 | 0 | 0 | 0 | 0 | 109.5 | Q610 L611 D612 L707 H709 F723 | Q610-S741 PolarHBondContact O-N 3.15Å; L611-S741 WeakPolarHBondContact CD1-OG 3.49Å; D612-S741 PolarHBondContact N-O 3.3Å; L707-S741 CarbonylContact O-C 3.6Å; L707-S741 WeakPolarHBondContact O-CA 3.44Å; H709-S741 PolarHBondContact CD2-OG 3.03Å; H709-S741 VanDerWaalsContact CD2-OG 3.31Å; H709-S741 PolarHBondContact NE2-OG 2.84Å; F723-S741 WeakPolarHBondContact CZ-OG 3.31Å |
| 742 | V | 95 | Very high | 81.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122.4 | 173.1 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | D612 L629 L706 L707 I708 H709 Q740 F744 | D612-V742 HydrophobicContact CB-CB 4.49Å; D612-V742 HydrophobicContact CB-CG1 4.34Å; D612-V742 HydrophobicContact CB-CG2 4.14Å; D612-V742 CarbonylContact O-C 3.53Å; D612-V742 WeakPolarHBondContact O-CA 3.21Å; L629-V742 HydrophobicContact CD1-CB 4.11Å; L629-V742 HydrophobicContact CD1-CG1 3.93Å; L629-V742 HydrophobicContact CD1-CG2 4Å; L706-V742 HydrophobicContact CD1-CG2 4.04Å; L707-V742 PolarHBondContact O-N 3.37Å; I708-V742 CarbonylContact C-O 3.53Å; I708-V742 WeakPolarHBondContact CA-O 3.44Å; H709-V742 PolarHBondContact N-O 2.82Å; Q740-V742 HydrophobicContact CG-CG2 4Å; V742-F744 HydrophobicContact CG1-CD1 4.33Å; V742-F744 HydrophobicContact CG1-CE1 3.94Å |
| 743 | V | 95.8 | Very high | 83 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.4 | -178.2 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | L611 D612 V613 R614 H709 F712 F719 L756 | L611-V743 HydrophobicContact CD1-CG2 3.97Å; D612-V743 PolarHBondContact O-N 3.3Å; V613-V743 HydrophobicContact CG1-CB 4.42Å; V613-V743 HydrophobicContact CG2-CB 4.25Å; V613-V743 HydrophobicContact CG2-CG2 4.42Å; R614-V743 PolarHBondContact N-O 3.24Å; H709-V743 HydrophobicContact CB-CB 4.41Å; H709-V743 HydrophobicContact CB-CG1 4.26Å; H709-V743 HydrophobicContact CB-CG2 4.24Å; F712-V743 HydrophobicContact CE1-CG1 3.85Å; F712-V743 HydrophobicContact CZ-CG1 3.83Å; F719-V743 HydrophobicContact CE2-CG1 4.23Å; F719-V743 HydrophobicContact CE2-CG2 4.27Å; F719-V743 HydrophobicContact CZ-CG1 4.42Å; F719-V743 HydrophobicContact CZ-CG2 3.92Å; V743-L756 HydrophobicContact CG1-CD1 4.47Å |
| 744 | F | 95.1 | Very high | 84.8 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 114.4 | 167.5 | -63.3 | -12.9 | 0 | 0 | 0 | 108.7 | R614 K622 H625 L626 I708 H709 Y710 V742 | R614-F744 HydrophobicContact CB-CD1 4.28Å; K622-F744 HydrophobicContact CB-CD2 4.14Å; K622-F744 HydrophobicContact CB-CE2 4.34Å; K622-F744 HydrophobicContact CD-CB 4.43Å; K622-F744 HydrophobicContact CD-CD2 4.13Å; K622-F744 HydrophobicContact CG-CD2 4.02Å; H625-F744 HydrophobicContact CB-CE1 4.35Å; H625-F744 HydrophobicContact CB-CZ 4.12Å; L626-F744 HydrophobicContact CB-CE2 4.26Å; L626-F744 HydrophobicContact CB-CZ 4.36Å; I708-F744 HydrophobicContact CG2-CE2 4.39Å; I708-F744 HydrophobicContact CG2-CZ 4.41Å; H709-F744 PolarHBondContact O-N 2.74Å; Y710-F744 AromaticContact CD2-CD2 3.96Å; Y710-F744 HydrophobicContact CD2-CD2 3.96Å; Y710-F744 HydrophobicContact CD2-CE2 4.13Å; Y710-F744 HydrophobicContact CE2-CD2 4.32Å; Y710-F744 HydrophobicContact CE2-CE2 4.39Å; V742-F744 HydrophobicContact CG1-CD1 4.33Å; V742-F744 HydrophobicContact CG1-CE1 3.94Å |
| 745 | A | 93.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V613 R614 V615 V616 F712 I753 | V613-A745 HydrophobicContact CG1-CB 4.39Å; R614-A745 PolarHBondContact O-N 2.91Å; V615-A745 CarbonylContact C-O 3.56Å; V615-A745 VanDerWaalsContact CA-O 3.26Å; V615-A745 WeakPolarHBondContact CA-O 3.43Å; V616-A745 PolarHBondContact N-O 2.89Å; F712-A745 HydrophobicContact CE2-CB 3.56Å; F712-A745 HydrophobicContact CZ-CB 3.88Å; A745-I753 HydrophobicContact CB-CG1 4.38Å |
| 746 | K | 91.9 | Very high | 88.8 | Confident | 57 Ų | 57 | 33.9 Ų | 33.9 | 25% | 0.248 | 18% | 0.178 | C | C | . | . | trans | -86.6 | 149.8 | 168.1 | -57.1 | -160.1 | 175.9 | -155.7 | 0 | 109.6 | E619 T748 D749 I753 | E619-K746 WeakPolarHBondContact OE1-CE 3.5Å; E619-K746 IonicContact OE1-NZ 3.25Å; E619-K746 PolarHBondContact OE1-NZ 3.49Å; K746-T748 PolarHBondContact O-N 2.84Å; K746-D749 WeakPolarHBondContact CB-OD2 3.41Å; K746-D749 PolarHBondContact N-OD2 3.41Å; K746-D749 WeakPolarHBondContact O-CB 3.37Å; K746-D749 PolarHBondContact O-N 2.74Å; K746-I753 WeakPolarHBondContact O-CD1 3.47Å | ||
| 747 | P | 90.8 | Very high | 90.5 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 34% | 0.344 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -24.9 | 173.9 | -25.7 | 33.5 | 0 | 0 | 0 | 114 | V615 A617 I774 | V615-P747 HydrophobicContact CG1-CG 3.73Å; A617-P747 HydrophobicContact CB-CG 4.47Å; P747-I774 WeakPolarHBondContact O-CG2 3.46Å |
| 748 | T | 90.5 | Very high | 92.2 | Very high | 110 Ų | 110 | 27.1 Ų | 27.1 | 68% | 0.675 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -9.5 | 177.3 | 49 | 0 | 0 | 0 | 0 | 115 | K746 L750 | K746-T748 PolarHBondContact O-N 2.84Å; T748-L750 PolarHBondContact O-N 3.28Å |
| 749 | D | 90.7 | Very high | 92.8 | Very high | 43 Ų | 43 | 27 Ų | 27 | 23% | 0.23 | 14% | 0.142 | C | C | . | . | trans | -77.1 | 37.1 | -179.6 | -72.5 | -49.2 | 0 | 0 | 0 | 113.2 | F712 K746 E751 N752 I753 | F712-D749 HydrophobicContact CD2-CB 3.75Å; F712-D749 VanDerWaalsContact CD2-CG 3.48Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.31Å; F712-D749 HydrophobicContact CE2-CB 3.6Å; K746-D749 WeakPolarHBondContact CB-OD2 3.41Å; K746-D749 PolarHBondContact N-OD2 3.41Å; K746-D749 WeakPolarHBondContact O-CB 3.37Å; K746-D749 PolarHBondContact O-N 2.74Å; D749-E751 PolarHBondContact O-N 3.33Å; D749-N752 CarbonylContact O-C 3.58Å; D749-N752 WeakPolarHBondContact O-CA 3.27Å; D749-N752 PolarHBondContact O-N 3.36Å; D749-I753 HydrophobicContact CB-CD1 4.4Å; D749-I753 HydrophobicContact CB-CG1 4.35Å; D749-I753 PolarHBondContact O-N 3.4Å | ||
| 750 | L | 91.3 | Very high | 93 | Very high | 43 Ų | 43 | 27.5 Ų | 27.5 | 23% | 0.225 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -48.4 | -48.2 | -166.3 | -61.6 | 157.5 | 0 | 0 | 0 | 114.2 | T748 N752 I753 W754 I774 R778 | T748-L750 PolarHBondContact O-N 3.28Å; L750-N752 VanDerWaalsContact C-N 3.27Å; L750-N752 PolarHBondContact O-N 2.96Å; L750-I753 PolarHBondContact O-N 2.99Å; L750-W754 WeakPolarHBondContact O-CB 3.49Å; L750-W754 PolarHBondContact O-N 3.26Å; L750-I774 HydrophobicContact CD2-CG2 4.29Å; L750-R778 HydrophobicContact CD1-CG 3.7Å; L750-R778 HydrophobicContact CD2-CB 3.74Å; L750-R778 HydrophobicContact CD2-CG 3.75Å; L750-R778 HydrophobicContact CG-CG 4.37Å |
| 751 | E | 92.2 | Very high | 92.9 | Very high | 91 Ų | 91 | 26.9 Ų | 26.9 | 43% | 0.425 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.6 | -32.5 | 178.8 | 176 | 80.4 | -157.7 | 0 | 0 | 112.3 | D749 K755 H802 | D749-E751 PolarHBondContact O-N 3.33Å; E751-K755 VanDerWaalsContact CG-NZ 3.33Å; E751-K755 VanDerWaalsContact O-CD 3.23Å; E751-K755 WeakPolarHBondContact O-CD 3.33Å; E751-K755 WeakPolarHBondContact O-CE 3.34Å; E751-K755 VanDerWaalsContact O-CG 3.26Å; E751-K755 WeakPolarHBondContact O-CG 3.49Å; E751-K755 WeakPolarHBondContact OE1-CE 3.44Å; E751-K755 IonicContact OE1-NZ 2.74Å; E751-K755 PolarHBondContact OE1-NZ 3.27Å; E751-H802 IonicContact OE1-CE1 2.76Å; E751-H802 PolarHBondContact OE1-CE1 2.87Å; E751-H802 IonicContact OE1-NE2 3.52Å; E751-H802 IonicContact OE2-CE1 3.93Å; E751-H802 PolarHBondContact OE2-CE1 3.4Å; E751-H802 VanDerWaalsContact OE2-CE1 3.3Å; E751-H802 IonicContact OE2-NE2 3.58Å; E751-H802 PolarHBondContact OE2-NE2 2.99Å |
| 752 | N | 93.1 | Very high | 92.5 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 13% | 0.128 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -88.2 | -35.8 | 177.2 | -67.6 | -45.6 | 0 | 0 | 0 | 112.1 | F712 D749 L750 W754 K755 L756 | F712-N752 HydrophobicContact CD1-CB 3.74Å; F712-N752 HydrophobicContact CD2-CB 4.01Å; F712-N752 HydrophobicContact CE1-CB 3.66Å; F712-N752 HydrophobicContact CE2-CB 3.91Å; F712-N752 HydrophobicContact CG-CB 3.92Å; F712-N752 HydrophobicContact CZ-CB 3.75Å; D749-N752 CarbonylContact O-C 3.58Å; D749-N752 WeakPolarHBondContact O-CA 3.27Å; D749-N752 PolarHBondContact O-N 3.36Å; L750-N752 VanDerWaalsContact C-N 3.27Å; L750-N752 PolarHBondContact O-N 2.96Å; N752-W754 VanDerWaalsContact C-N 3.32Å; N752-W754 PolarHBondContact O-N 3.17Å; N752-K755 PolarHBondContact O-N 3.25Å; N752-L756 PolarHBondContact O-N 3.1Å |
| 753 | I | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 171.9 | -69.1 | 175.1 | 0 | 0 | 0 | 110.2 | A745 K746 D749 L750 L756 C757 L771 I774 L775 | A745-I753 HydrophobicContact CB-CG1 4.38Å; K746-I753 WeakPolarHBondContact O-CD1 3.47Å; D749-I753 HydrophobicContact CB-CD1 4.4Å; D749-I753 HydrophobicContact CB-CG1 4.35Å; D749-I753 PolarHBondContact O-N 3.4Å; L750-I753 PolarHBondContact O-N 2.99Å; I753-L756 PolarHBondContact O-N 2.91Å; I753-C757 PolarHBondContact O-N 3.32Å; I753-C757 PolarHBondContact O-SG 2.86Å; I753-L771 HydrophobicContact CG2-CB 3.96Å; I753-L771 HydrophobicContact CG2-CD2 4.35Å; I753-I774 HydrophobicContact CD1-CG2 4.3Å; I753-L775 HydrophobicContact CB-CD2 4.45Å; I753-L775 HydrophobicContact CG2-CD1 4.18Å; I753-L775 HydrophobicContact CG2-CD2 4.09Å; I753-L775 HydrophobicContact CG2-CG 3.98Å |
| 754 | W | 94.7 | Very high | 91.4 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 10% | 0.095 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.7 | -167.2 | 96.7 | 0 | 0 | 0 | 112 | L750 N752 L756 C757 D758 L775 L800 H802 L956 | L750-W754 WeakPolarHBondContact O-CB 3.49Å; L750-W754 PolarHBondContact O-N 3.26Å; N752-W754 VanDerWaalsContact C-N 3.32Å; N752-W754 PolarHBondContact O-N 3.17Å; W754-L756 VanDerWaalsContact C-N 3.33Å; W754-L756 PolarHBondContact O-N 3.31Å; W754-C757 PolarHBondContact O-N 2.71Å; W754-D758 HydrophobicContact CE3-CB 4.03Å; W754-D758 HydrophobicContact CH2-CB 4.22Å; W754-D758 HydrophobicContact CZ3-CB 3.78Å; W754-D758 WeakPolarHBondContact O-CB 3.38Å; W754-D758 PolarHBondContact O-N 2.67Å; W754-L775 HydrophobicContact CB-CD1 4.24Å; W754-L775 HydrophobicContact CB-CD2 4Å; W754-L775 HydrophobicContact CG-CD1 4.44Å; W754-L800 PolarHBondContact NE1-O 3.24Å; W754-H802 HydrophobicContact CD2-CB 4.05Å; W754-H802 AromaticContact CD2-CD2 3.34Å; W754-H802 AromaticContact CD2-CG 3.99Å; W754-H802 AromaticContact CE2-CD2 3.93Å; W754-H802 HydrophobicContact CE3-CB 4.41Å; W754-H802 AromaticContact CE3-CD2 3.48Å; W754-H802 VanDerWaalsContact CE3-CD2 3.48Å; W754-H802 AromaticContact CG-CD2 3.53Å; W754-H802 HydrophobicContact CH2-CB 4.2Å; W754-H802 HydrophobicContact CZ2-CB 3.78Å; W754-H802 HydrophobicContact CZ3-CB 4.49Å; W754-L956 HydrophobicContact CD2-CD1 3.88Å; W754-L956 HydrophobicContact CG-CD1 4.16Å; W754-L956 HydrophobicContact CZ2-CB 3.9Å; W754-L956 HydrophobicContact CZ2-CD1 3.89Å |
| 755 | K | 94.1 | Very high | 90.9 | Very high | 44 Ų | 44 | 37.3 Ų | 37.3 | 19% | 0.191 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -33.8 | 177.1 | -71 | 165.9 | -166 | 168.6 | 0 | 113.1 | W716 E751 N752 F759 | W716-K755 HydrophobicContact CB-CD 4.17Å; W716-K755 HydrophobicContact CD2-CB 4.09Å; W716-K755 HydrophobicContact CD2-CD 3.94Å; W716-K755 HydrophobicContact CE3-CB 4.07Å; W716-K755 HydrophobicContact CE3-CD 4.18Å; W716-K755 HydrophobicContact CG-CD 3.93Å; W716-K755 HydrophobicContact CH2-CB 3.96Å; W716-K755 HydrophobicContact CZ2-CB 3.96Å; W716-K755 HydrophobicContact CZ3-CB 4Å; E751-K755 VanDerWaalsContact CG-NZ 3.33Å; E751-K755 VanDerWaalsContact O-CD 3.23Å; E751-K755 WeakPolarHBondContact O-CD 3.33Å; E751-K755 WeakPolarHBondContact O-CE 3.34Å; E751-K755 VanDerWaalsContact O-CG 3.26Å; E751-K755 WeakPolarHBondContact O-CG 3.49Å; E751-K755 WeakPolarHBondContact OE1-CE 3.44Å; E751-K755 IonicContact OE1-NZ 2.74Å; E751-K755 PolarHBondContact OE1-NZ 3.27Å; N752-K755 PolarHBondContact O-N 3.25Å; K755-F759 VanDerWaalsContact O-CB 3.23Å; K755-F759 WeakPolarHBondContact O-CB 3.36Å; K755-F759 PolarHBondContact O-N 3.46Å |
| 756 | L | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.4 | -46.3 | 170.1 | -75.6 | 170.7 | 0 | 0 | 0 | 111.3 | V613 F712 W716 F719 V743 N752 I753 W754 D758 F759 Y760 | V613-L756 HydrophobicContact CG1-CD1 4.06Å; V613-L756 HydrophobicContact CG2-CD1 4.14Å; F712-L756 HydrophobicContact CE1-CD1 3.84Å; F712-L756 HydrophobicContact CZ-CD1 3.67Å; W716-L756 HydrophobicContact CH2-CD2 4.06Å; W716-L756 HydrophobicContact CH2-CG 4.29Å; W716-L756 HydrophobicContact CZ3-CD2 4.49Å; W716-L756 HydrophobicContact CZ3-CG 4.45Å; F719-L756 HydrophobicContact CE1-CD2 4.29Å; F719-L756 HydrophobicContact CZ-CD2 4.35Å; V743-L756 HydrophobicContact CG1-CD1 4.47Å; N752-L756 PolarHBondContact O-N 3.1Å; I753-L756 PolarHBondContact O-N 2.91Å; W754-L756 VanDerWaalsContact C-N 3.33Å; W754-L756 PolarHBondContact O-N 3.31Å; L756-D758 VanDerWaalsContact C-N 3.33Å; L756-D758 PolarHBondContact O-N 3.41Å; L756-F759 WeakPolarHBondContact O-CB 3.35Å; L756-F759 PolarHBondContact O-N 3.43Å; L756-Y760 VanDerWaalsContact O-CD2 3.23Å; L756-Y760 WeakPolarHBondContact O-CD2 3.42Å; L756-Y760 PolarHBondContact O-N 3.34Å |
| 757 | C | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 177.3 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | I753 W754 Y760 M761 P768 L771 L772 L775 L956 | I753-C757 PolarHBondContact O-N 3.32Å; I753-C757 PolarHBondContact O-SG 2.86Å; W754-C757 PolarHBondContact O-N 2.71Å; C757-Y760 PolarHBondContact O-N 2.62Å; C757-M761 WeakPolarHBondContact O-CG 3.16Å; C757-M761 PolarHBondContact O-N 2.79Å; C757-P768 HydrophobicContact CB-CG 4.4Å; C757-L771 WeakPolarHBondContact SG-CB 3.43Å; C757-L772 HydrophobicContact CB-CD2 3.83Å; C757-L775 HydrophobicContact CB-CD1 4.24Å; C757-L956 HydrophobicContact CB-CD1 3.74Å; C757-L956 HydrophobicContact CB-CD2 4.22Å |
| 758 | D | 92.1 | Very high | 90.4 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 175.8 | 177.2 | 55 | 0 | 0 | 0 | 111.3 | W754 L756 M761 K762 L956 | W754-D758 HydrophobicContact CE3-CB 4.03Å; W754-D758 HydrophobicContact CH2-CB 4.22Å; W754-D758 HydrophobicContact CZ3-CB 3.78Å; W754-D758 WeakPolarHBondContact O-CB 3.38Å; W754-D758 PolarHBondContact O-N 2.67Å; L756-D758 VanDerWaalsContact C-N 3.33Å; L756-D758 PolarHBondContact O-N 3.41Å; D758-M761 PolarHBondContact O-N 3.07Å; D758-K762 WeakPolarHBondContact O-CB 3.28Å; D758-K762 WeakPolarHBondContact O-CD 3.42Å; D758-K762 WeakPolarHBondContact O-CG 3.48Å; D758-K762 PolarHBondContact O-N 2.84Å; D758-K762 WeakPolarHBondContact OD1-CE 3.34Å; D758-K762 IonicContact OD1-NZ 3.79Å; D758-K762 PolarHBondContact OD1-NZ 2.91Å; D758-K762 IonicContact OD2-NZ 2.75Å; D758-K762 PolarHBondContact OD2-NZ 2.88Å; D758-L956 HydrophobicContact CB-CD1 3.91Å |
| 759 | F | 92.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 174.6 | 178.6 | -94.4 | 0 | 0 | 0 | 112.3 | L601 E602 V605 L611 K755 L756 K762 H763 L765 | L601-F759 HydrophobicContact CD1-CE1 4.05Å; L601-F759 HydrophobicContact CD1-CE2 4.09Å; L601-F759 HydrophobicContact CD1-CZ 3.55Å; L601-F759 HydrophobicContact CD2-CD1 4.49Å; L601-F759 HydrophobicContact CD2-CD2 3.73Å; L601-F759 HydrophobicContact CD2-CE1 4.25Å; L601-F759 HydrophobicContact CD2-CE2 3.44Å; L601-F759 VanDerWaalsContact CD2-CE2 3.44Å; L601-F759 HydrophobicContact CD2-CG 4.25Å; L601-F759 HydrophobicContact CD2-CZ 3.72Å; L601-F759 HydrophobicContact CG-CD2 4.23Å; L601-F759 HydrophobicContact CG-CE1 4.26Å; L601-F759 HydrophobicContact CG-CE2 3.41Å; L601-F759 VanDerWaalsContact CG-CE2 3.41Å; L601-F759 HydrophobicContact CG-CZ 3.42Å; L601-F759 VanDerWaalsContact CG-CZ 3.42Å; E602-F759 WeakPolarHBondContact OE1-CE2 3.44Å; V605-F759 HydrophobicContact CG2-CE1 4.33Å; V605-F759 HydrophobicContact CG2-CE2 4.21Å; V605-F759 HydrophobicContact CG2-CZ 3.49Å; V605-F759 VanDerWaalsContact CG2-CZ 3.49Å; L611-F759 HydrophobicContact CD2-CD1 4.34Å; L611-F759 HydrophobicContact CD2-CE1 4.02Å; K755-F759 VanDerWaalsContact O-CB 3.23Å; K755-F759 WeakPolarHBondContact O-CB 3.36Å; K755-F759 PolarHBondContact O-N 3.46Å; L756-F759 WeakPolarHBondContact O-CB 3.35Å; L756-F759 PolarHBondContact O-N 3.43Å; F759-K762 PolarHBondContact O-N 3.44Å; F759-H763 AromaticContact CD2-CD2 3.45Å; F759-H763 VanDerWaalsContact CD2-CD2 3.45Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.11Å; F759-H763 AromaticContact CD2-NE2 3.72Å; F759-H763 AromaticContact CE1-CD2 3.95Å; F759-H763 AromaticContact CE2-CD2 3.21Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.38Å; F759-H763 AromaticContact CE2-NE2 3.23Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.46Å; F759-H763 AromaticContact CG-CD2 3.92Å; F759-H763 AromaticContact CZ-CD2 3.49Å; F759-H763 VanDerWaalsContact CZ-CD2 3.49Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.47Å; F759-H763 AromaticContact CZ-NE2 3.79Å; F759-H763 WeakPolarHBondContact O-CB 3.33Å; F759-H763 PolarHBondContact O-CD2 2.87Å; F759-H763 VanDerWaalsContact O-CD2 3.31Å; F759-H763 PolarHBondContact O-N 3.17Å; F759-H763 VanDerWaalsContact O-N 3.08Å; F759-L765 HydrophobicContact CE1-CD1 4.31Å |
| 760 | Y | 91.3 | Very high | 90.4 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 177.5 | -92.4 | -117 | 0 | 0 | 0 | 111.8 | L611 V613 L756 C757 K762 H763 K764 L765 P766 P768 | L611-Y760 HydrophobicContact CD2-CD2 4.44Å; L611-Y760 HydrophobicContact CD2-CE2 3.57Å; L611-Y760 HydrophobicContact CG-CE2 4.11Å; L611-Y760 PolarHBondContact O-OH 3.03Å; V613-Y760 HydrophobicContact CG2-CE2 4.22Å; L756-Y760 VanDerWaalsContact O-CD2 3.23Å; L756-Y760 WeakPolarHBondContact O-CD2 3.42Å; L756-Y760 PolarHBondContact O-N 3.34Å; C757-Y760 PolarHBondContact O-N 2.62Å; Y760-K762 PolarHBondContact O-N 2.87Å; Y760-H763 PolarHBondContact O-N 3.39Å; Y760-K764 PolarHBondContact O-N 2.93Å; Y760-L765 HydrophobicContact CD1-CB 3.37Å; Y760-L765 HydrophobicContact CD1-CD1 3.79Å; Y760-L765 HydrophobicContact CD1-CG 4.22Å; Y760-L765 HydrophobicContact CD2-CD1 3.85Å; Y760-L765 HydrophobicContact CE1-CB 4.02Å; Y760-L765 HydrophobicContact CE1-CD1 3.96Å; Y760-L765 HydrophobicContact CE2-CD1 4.04Å; Y760-L765 HydrophobicContact CG-CB 3.78Å; Y760-L765 HydrophobicContact CG-CD1 3.74Å; Y760-L765 HydrophobicContact CG-CG 4.36Å; Y760-L765 PolarHBondContact O-N 3.28Å; Y760-P766 WeakPolarHBondContact CD1-O 3.29Å; Y760-P768 HydrophobicContact CD1-CB 4.24Å; Y760-P768 HydrophobicContact CD1-CG 4.17Å; Y760-P768 HydrophobicContact CG-CG 4.2Å |
| 761 | M | 87.6 | Confident | 90.5 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 178.6 | -67.8 | -60.7 | -53.2 | 0 | 0 | 111.8 | C757 D758 H763 K764 R767 E954 L956 | C757-M761 WeakPolarHBondContact O-CG 3.16Å; C757-M761 PolarHBondContact O-N 2.79Å; D758-M761 PolarHBondContact O-N 3.07Å; M761-H763 VanDerWaalsContact C-N 3.28Å; M761-H763 PolarHBondContact O-N 3.5Å; M761-K764 PolarHBondContact O-N 2.91Å; M761-R767 HydrophobicContact SD-CB 4.4Å; M761-R767 HydrophobicContact SD-CG 4.05Å; M761-E954 HydrophobicContact CE-CB 4.02Å; M761-E954 HydrophobicContact CE-CG 4.36Å; M761-L956 HydrophobicContact CG-CD2 3.89Å |
| 762 | K | 86.3 | Confident | 90.6 | Very high | 83 Ų | 83 | 33.6 Ų | 33.6 | 36% | 0.361 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.8 | -34.1 | 179.4 | -79.5 | 163.9 | 172.5 | 161.9 | 0 | 113.4 | I576 D758 F759 Y760 | I576-K762 HydrophobicContact CD1-CD 3.95Å; I576-K762 HydrophobicContact CD1-CG 4.45Å; D758-K762 WeakPolarHBondContact O-CB 3.28Å; D758-K762 WeakPolarHBondContact O-CD 3.42Å; D758-K762 WeakPolarHBondContact O-CG 3.48Å; D758-K762 PolarHBondContact O-N 2.84Å; D758-K762 WeakPolarHBondContact OD1-CE 3.34Å; D758-K762 IonicContact OD1-NZ 3.79Å; D758-K762 PolarHBondContact OD1-NZ 2.91Å; D758-K762 IonicContact OD2-NZ 2.75Å; D758-K762 PolarHBondContact OD2-NZ 2.88Å; F759-K762 PolarHBondContact O-N 3.44Å; Y760-K762 PolarHBondContact O-N 2.87Å |
| 763 | H | 86.6 | Confident | 90.5 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 9% | 0.088 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.3 | -178.6 | -76.5 | -64.7 | 0 | 0 | 0 | 114.9 | I576 W577 E602 F759 Y760 M761 L765 | I576-H763 WeakPolarHBondContact CG2-CE1 3.43Å; I576-H763 WeakPolarHBondContact CG2-NE2 3.33Å; W577-H763 PolarHBondContact O-CE1 2.95Å; W577-H763 VanDerWaalsContact O-CE1 3.27Å; W577-H763 PolarHBondContact O-ND1 2.99Å; E602-H763 IonicContact OE1-CE1 3.13Å; E602-H763 IonicContact OE1-NE2 2.71Å; E602-H763 PolarHBondContact OE1-NE2 2.89Å; E602-H763 VanDerWaalsContact OE1-NE2 3.12Å; E602-H763 IonicContact OE2-CE1 2.97Å; E602-H763 PolarHBondContact OE2-CE1 3.33Å; E602-H763 IonicContact OE2-NE2 3.27Å; E602-H763 PolarHBondContact OE2-NE2 2.91Å; F759-H763 AromaticContact CD2-CD2 3.45Å; F759-H763 VanDerWaalsContact CD2-CD2 3.45Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.11Å; F759-H763 AromaticContact CD2-NE2 3.72Å; F759-H763 AromaticContact CE1-CD2 3.95Å; F759-H763 AromaticContact CE2-CD2 3.21Å; F759-H763 WeakPolarHBondContact CE2-CD2 3.38Å; F759-H763 AromaticContact CE2-NE2 3.23Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.46Å; F759-H763 AromaticContact CG-CD2 3.92Å; F759-H763 AromaticContact CZ-CD2 3.49Å; F759-H763 VanDerWaalsContact CZ-CD2 3.49Å; F759-H763 WeakPolarHBondContact CZ-CD2 3.47Å; F759-H763 AromaticContact CZ-NE2 3.79Å; F759-H763 WeakPolarHBondContact O-CB 3.33Å; F759-H763 PolarHBondContact O-CD2 2.87Å; F759-H763 VanDerWaalsContact O-CD2 3.31Å; F759-H763 PolarHBondContact O-N 3.17Å; F759-H763 VanDerWaalsContact O-N 3.08Å; Y760-H763 PolarHBondContact O-N 3.39Å; M761-H763 VanDerWaalsContact C-N 3.28Å; M761-H763 PolarHBondContact O-N 3.5Å; H763-L765 HydrophobicContact CB-CG 4.2Å; H763-L765 PolarHBondContact O-N 3.25Å |
| 764 | K | 82.4 | Confident | 90.5 | Very high | 105 Ų | 105 | 35 Ų | 35 | 46% | 0.457 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 33.1 | -173.4 | -67.2 | -179.8 | 158.4 | -176.8 | 0 | 113.5 | D580 Y760 M761 | D580-K764 WeakPolarHBondContact OD2-CD 3.08Å; D580-K764 WeakPolarHBondContact OD2-CE 3.46Å; D580-K764 IonicContact OD2-NZ 3.8Å; D580-K764 PolarHBondContact OD2-NZ 3.09Å; Y760-K764 PolarHBondContact O-N 2.93Å; M761-K764 PolarHBondContact O-N 2.91Å |
| 765 | L | 84.8 | Confident | 90.4 | Very high | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.073 | 18% | 0.182 | C | C | . | . | trans | -71.1 | 157.2 | 169.6 | -66.1 | -176.1 | 0 | 0 | 0 | 110.2 | A338 L340 F759 Y760 H763 R767 | A338-L765 HydrophobicContact CB-CD2 4.19Å; L340-L765 HydrophobicContact CD1-CD2 4.09Å; L340-L765 HydrophobicContact CD2-CD2 3.64Å; L340-L765 HydrophobicContact CG-CD2 3.66Å; F759-L765 HydrophobicContact CE1-CD1 4.31Å; Y760-L765 HydrophobicContact CD1-CB 3.37Å; Y760-L765 HydrophobicContact CD1-CD1 3.79Å; Y760-L765 HydrophobicContact CD1-CG 4.22Å; Y760-L765 HydrophobicContact CD2-CD1 3.85Å; Y760-L765 HydrophobicContact CE1-CB 4.02Å; Y760-L765 HydrophobicContact CE1-CD1 3.96Å; Y760-L765 HydrophobicContact CE2-CD1 4.04Å; Y760-L765 HydrophobicContact CG-CB 3.78Å; Y760-L765 HydrophobicContact CG-CD1 3.74Å; Y760-L765 HydrophobicContact CG-CG 4.36Å; Y760-L765 PolarHBondContact O-N 3.28Å; H763-L765 HydrophobicContact CB-CG 4.2Å; H763-L765 PolarHBondContact O-N 3.25Å; L765-R767 PolarHBondContact O-N 2.87Å | ||
| 766 | P | 86.3 | Confident | 90.3 | Very high | 81 Ų | 81 | 33 Ų | 33 | 53% | 0.526 | 18% | 0.18 | S | C | . | . | trans | -49.1 | 125.4 | 173.6 | -27.6 | 35.7 | 0 | 0 | 0 | 111.2 | A338 Y760 P768 | A338-P766 HydrophobicContact CB-CG 4.05Å; Y760-P766 WeakPolarHBondContact CD1-O 3.29Å; P766-P768 WeakPolarHBondContact O-CD 3.47Å; P766-P768 VanDerWaalsContact O-N 3.12Å | ||
| 767 | R | 87.8 | Confident | 90.1 | Very high | 60 Ų | 60 | 38.5 Ų | 38.5 | 23% | 0.226 | 21% | 0.206 | C | C | . | . | trans | -57 | 115.4 | -174 | 178.5 | 174 | 172.7 | 85.2 | -10.7 | 109.7 | M761 L765 G769 L772 Q952 H1020 D1022 | M761-R767 HydrophobicContact SD-CB 4.4Å; M761-R767 HydrophobicContact SD-CG 4.05Å; L765-R767 PolarHBondContact O-N 2.87Å; R767-G769 VanDerWaalsContact C-N 3.29Å; R767-G769 PolarHBondContact O-N 2.83Å; R767-L772 HydrophobicContact CG-CD1 3.75Å; R767-Q952 VanDerWaalsContact NH2-NE2 3.13Å; R767-H1020 VanDerWaalsContact CD-NE2 3.32Å; R767-H1020 WeakPolarHBondContact CD-NE2 3.42Å; R767-H1020 PolarHBondContact NE-CD2 3.26Å; R767-H1020 PolarHBondContact NE-NE2 2.78Å; R767-D1022 IonicContact NH2-OD2 2.68Å; R767-D1022 PolarHBondContact NH2-OD2 3.44Å | ||
| 768 | P | 90.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | trans | -80.7 | 75 | -166.8 | 32.1 | -36.4 | 0 | 0 | 0 | 111.3 | C757 Y760 P766 H770 L771 L772 | C757-P768 HydrophobicContact CB-CG 4.4Å; Y760-P768 HydrophobicContact CD1-CB 4.24Å; Y760-P768 HydrophobicContact CD1-CG 4.17Å; Y760-P768 HydrophobicContact CG-CG 4.2Å; P766-P768 WeakPolarHBondContact O-CD 3.47Å; P766-P768 VanDerWaalsContact O-N 3.12Å; P768-H770 VanDerWaalsContact C-N 3.3Å; P768-H770 PolarHBondContact O-N 2.93Å; P768-L771 HydrophobicContact CB-CB 4.16Å; P768-L771 HydrophobicContact CB-CD1 3.96Å; P768-L771 HydrophobicContact CB-CG 4.11Å; P768-L771 HydrophobicContact CG-CB 4.5Å; P768-L771 HydrophobicContact CG-CD1 4.46Å; P768-L771 PolarHBondContact O-N 3.32Å; P768-L772 WeakPolarHBondContact O-CG 3.36Å; P768-L772 PolarHBondContact O-N 2.66Å | ||
| 769 | G | 89.9 | Confident | 89.7 | Confident | 44 Ų | 44 | 43.4 Ų | 43.4 | 45% | 0.454 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -52.8 | -42.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | R767 L771 L772 G773 | R767-G769 VanDerWaalsContact C-N 3.29Å; R767-G769 PolarHBondContact O-N 2.83Å; G769-L771 PolarHBondContact O-N 3Å; G769-L772 PolarHBondContact O-N 2.77Å; G769-G773 PolarHBondContact O-N 3.19Å |
| 770 | H | 90.6 | Very high | 89.4 | Confident | 106 Ų | 106 | 47 Ų | 47 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 177.2 | -175.2 | -115.2 | 0 | 0 | 0 | 113 | P768 G773 I774 | P768-H770 VanDerWaalsContact C-N 3.3Å; P768-H770 PolarHBondContact O-N 2.93Å; H770-G773 PolarHBondContact O-N 3.25Å; H770-I774 PolarHBondContact O-N 2.92Å |
| 771 | L | 94.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 177.8 | -59 | -173.3 | 0 | 0 | 0 | 112 | V613 V615 I753 C757 P768 G769 G773 I774 L775 | V613-L771 HydrophobicContact CB-CD1 4.33Å; V613-L771 HydrophobicContact CG1-CD1 3.97Å; V613-L771 HydrophobicContact CG1-CD2 4.23Å; V615-L771 HydrophobicContact CG2-CD2 3.37Å; I753-L771 HydrophobicContact CG2-CB 3.96Å; I753-L771 HydrophobicContact CG2-CD2 4.35Å; C757-L771 WeakPolarHBondContact SG-CB 3.43Å; P768-L771 HydrophobicContact CB-CB 4.16Å; P768-L771 HydrophobicContact CB-CD1 3.96Å; P768-L771 HydrophobicContact CB-CG 4.11Å; P768-L771 HydrophobicContact CG-CB 4.5Å; P768-L771 HydrophobicContact CG-CD1 4.46Å; P768-L771 PolarHBondContact O-N 3.32Å; G769-L771 PolarHBondContact O-N 3Å; L771-G773 VanDerWaalsContact C-N 3.31Å; L771-I774 PolarHBondContact O-N 3.34Å; L771-L775 WeakPolarHBondContact O-CG 3.3Å; L771-L775 PolarHBondContact O-N 3.1Å |
| 772 | L | 93.6 | Very high | 88.9 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -37 | 173.4 | -62.9 | 179.3 | 0 | 0 | 0 | 111.6 | C757 R767 P768 G769 L775 S776 L800 L956 | C757-L772 HydrophobicContact CB-CD2 3.83Å; R767-L772 HydrophobicContact CG-CD1 3.75Å; P768-L772 WeakPolarHBondContact O-CG 3.36Å; P768-L772 PolarHBondContact O-N 2.66Å; G769-L772 PolarHBondContact O-N 2.77Å; L772-L775 HydrophobicContact CD2-CD1 4.42Å; L772-L775 PolarHBondContact O-N 2.89Å; L772-S776 PolarHBondContact O-N 3.41Å; L772-S776 PolarHBondContact O-OG 3.31Å; L772-L800 HydrophobicContact CB-CD2 4.23Å; L772-L800 HydrophobicContact CD2-CD1 4.29Å; L772-L800 HydrophobicContact CD2-CD2 4.22Å; L772-L956 HydrophobicContact CD2-CD2 3.67Å |
| 773 | G | 92.7 | Very high | 88.2 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55 | -53.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G769 H770 L771 L775 S776 Q777 | G769-G773 PolarHBondContact O-N 3.19Å; H770-G773 PolarHBondContact O-N 3.25Å; L771-G773 VanDerWaalsContact C-N 3.31Å; G773-L775 VanDerWaalsContact C-N 3.31Å; G773-L775 PolarHBondContact O-N 3.3Å; G773-S776 WeakPolarHBondContact CA-OG 3.38Å; G773-S776 PolarHBondContact O-N 3.24Å; G773-S776 VanDerWaalsContact O-N 3.12Å; G773-S776 PolarHBondContact O-OG 2.99Å; G773-Q777 PolarHBondContact O-N 3.29Å |
| 774 | I | 93.4 | Very high | 87.5 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.9 | -44.8 | 177.8 | -64.5 | 165.1 | 0 | 0 | 0 | 111.6 | V615 P747 L750 I753 H770 L771 R778 | V615-I774 HydrophobicContact CB-CD1 4.27Å; V615-I774 HydrophobicContact CG1-CD1 3.75Å; V615-I774 HydrophobicContact CG2-CD1 3.68Å; P747-I774 WeakPolarHBondContact O-CG2 3.46Å; L750-I774 HydrophobicContact CD2-CG2 4.29Å; I753-I774 HydrophobicContact CD1-CG2 4.3Å; H770-I774 PolarHBondContact O-N 2.92Å; L771-I774 PolarHBondContact O-N 3.34Å; I774-R778 PolarHBondContact O-N 3.22Å |
| 775 | L | 93.2 | Very high | 86.8 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 177.6 | -65.3 | 169.3 | 0 | 0 | 0 | 111.5 | I753 W754 C757 L771 L772 G773 R778 R779 L800 | I753-L775 HydrophobicContact CB-CD2 4.45Å; I753-L775 HydrophobicContact CG2-CD1 4.18Å; I753-L775 HydrophobicContact CG2-CD2 4.09Å; I753-L775 HydrophobicContact CG2-CG 3.98Å; W754-L775 HydrophobicContact CB-CD1 4.24Å; W754-L775 HydrophobicContact CB-CD2 4Å; W754-L775 HydrophobicContact CG-CD1 4.44Å; C757-L775 HydrophobicContact CB-CD1 4.24Å; L771-L775 WeakPolarHBondContact O-CG 3.3Å; L771-L775 PolarHBondContact O-N 3.1Å; L772-L775 HydrophobicContact CD2-CD1 4.42Å; L772-L775 PolarHBondContact O-N 2.89Å; G773-L775 VanDerWaalsContact C-N 3.31Å; G773-L775 PolarHBondContact O-N 3.3Å; L775-R778 PolarHBondContact O-N 2.93Å; L775-R779 WeakPolarHBondContact O-CG 3.39Å; L775-R779 PolarHBondContact O-N 2.96Å; L775-L800 HydrophobicContact CB-CD2 4.42Å |
| 776 | S | 92.4 | Very high | 86.4 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 179.1 | 65.8 | 0 | 0 | 0 | 0 | 113.3 | L772 G773 R778 R779 L780 | L772-S776 PolarHBondContact O-N 3.41Å; L772-S776 PolarHBondContact O-OG 3.31Å; G773-S776 WeakPolarHBondContact CA-OG 3.38Å; G773-S776 PolarHBondContact O-N 3.24Å; G773-S776 VanDerWaalsContact O-N 3.12Å; G773-S776 PolarHBondContact O-OG 2.99Å; S776-R778 VanDerWaalsContact C-N 3.33Å; S776-R778 PolarHBondContact O-N 2.78Å; S776-R779 PolarHBondContact O-N 3.39Å; S776-L780 PolarHBondContact O-N 2.75Å |
| 777 | Q | 90.8 | Very high | 86 | Confident | 117 Ų | 117 | 65.5 Ų | 65.5 | 55% | 0.547 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 175.9 | -178.1 | -175.7 | -32.1 | 0 | 0 | 110.3 | G773 R779 L780 E781 | G773-Q777 PolarHBondContact O-N 3.29Å; Q777-R779 VanDerWaalsContact C-N 3.26Å; Q777-R779 PolarHBondContact O-N 3.4Å; Q777-L780 WeakPolarHBondContact O-CB 3.19Å; Q777-L780 PolarHBondContact O-N 2.73Å; Q777-E781 PolarHBondContact NE2-OE1 3.47Å; Q777-E781 PolarHBondContact O-N 3.47Å |
| 778 | R | 89.3 | Confident | 85.8 | Confident | 109 Ų | 109 | 65.5 Ų | 65.5 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.1 | -33.3 | -179.3 | -170.5 | 59.5 | 173.6 | -179.7 | 1.4 | 113 | L750 I774 L775 S776 L780 E781 E782 | L750-R778 HydrophobicContact CD1-CG 3.7Å; L750-R778 HydrophobicContact CD2-CB 3.74Å; L750-R778 HydrophobicContact CD2-CG 3.75Å; L750-R778 HydrophobicContact CG-CG 4.37Å; I774-R778 PolarHBondContact O-N 3.22Å; L775-R778 PolarHBondContact O-N 2.93Å; S776-R778 VanDerWaalsContact C-N 3.33Å; S776-R778 PolarHBondContact O-N 2.78Å; R778-L780 VanDerWaalsContact C-N 3.27Å; R778-L780 PolarHBondContact O-N 3.16Å; R778-E781 WeakPolarHBondContact CD-OE2 3.45Å; R778-E781 IonicContact CZ-OE2 3.4Å; R778-E781 IonicContact NE-OE2 3.25Å; R778-E781 IonicContact NH1-OE2 3.57Å; R778-E781 PolarHBondContact NH1-OE2 2.87Å; R778-E781 PolarHBondContact O-N 3.35Å; R778-E781 VanDerWaalsContact O-N 3.17Å; R778-E782 WeakPolarHBondContact O-CG 3.49Å; R778-E782 PolarHBondContact O-N 2.78Å; R778-E782 VanDerWaalsContact O-N 3.1Å |
| 779 | R | 88.5 | Confident | 85.6 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 9% | 0.087 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.1 | -28.5 | 173.9 | -65.8 | -68.9 | 174.2 | -110.3 | -12.9 | 112.8 | L775 S776 Q777 E782 C799 R801 H802 H808 | L775-R779 WeakPolarHBondContact O-CG 3.39Å; L775-R779 PolarHBondContact O-N 2.96Å; S776-R779 PolarHBondContact O-N 3.39Å; Q777-R779 VanDerWaalsContact C-N 3.26Å; Q777-R779 PolarHBondContact O-N 3.4Å; R779-E782 WeakPolarHBondContact CD-OE2 3.29Å; R779-E782 IonicContact CZ-OE2 2.68Å; R779-E782 IonicContact NE-OE2 2.69Å; R779-E782 IonicContact NH1-OE1 2.73Å; R779-E782 PolarHBondContact NH1-OE1 3.1Å; R779-E782 IonicContact NH1-OE2 2.99Å; R779-E782 PolarHBondContact NH1-OE2 3.21Å; R779-C799 HydrophobicContact CB-CB 4.09Å; R779-C799 HydrophobicContact CG-CB 4.14Å; R779-R801 PolarHBondContact NE-O 2.65Å; R779-R801 PolarHBondContact NH2-O 3.3Å; R779-H802 PolarHBondContact NH2-O 2.88Å; R779-H808 WeakPolarHBondContact O-CB 3.26Å; R779-H808 PolarHBondContact O-ND1 2.94Å |
| 780 | L | 85.9 | Confident | 85.7 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74.7 | -27.7 | 173.4 | -66.1 | 166.6 | 0 | 0 | 0 | 112.7 | S776 Q777 R778 M793 H808 | S776-L780 PolarHBondContact O-N 2.75Å; Q777-L780 WeakPolarHBondContact O-CB 3.19Å; Q777-L780 PolarHBondContact O-N 2.73Å; R778-L780 VanDerWaalsContact C-N 3.27Å; R778-L780 PolarHBondContact O-N 3.16Å; L780-M793 HydrophobicContact CD2-CE 3.53Å; L780-M793 HydrophobicContact CG-CE 4.3Å; L780-H808 HydrophobicContact CD2-CB 4.37Å; L780-H808 WeakPolarHBondContact CD2-O 3.33Å |
| 781 | E | 84.9 | Confident | 85.6 | Confident | 96 Ų | 96 | 64.3 Ų | 64.3 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -81.5 | -25.1 | 177.7 | -64.6 | 169.4 | -173.1 | 0 | 0 | 113 | Q777 R778 | Q777-E781 PolarHBondContact NE2-OE1 3.47Å; Q777-E781 PolarHBondContact O-N 3.47Å; R778-E781 WeakPolarHBondContact CD-OE2 3.45Å; R778-E781 IonicContact CZ-OE2 3.4Å; R778-E781 IonicContact NE-OE2 3.25Å; R778-E781 IonicContact NH1-OE2 3.57Å; R778-E781 PolarHBondContact NH1-OE2 2.87Å; R778-E781 PolarHBondContact O-N 3.35Å; R778-E781 VanDerWaalsContact O-N 3.17Å |
| 782 | E | 82.8 | Confident | 85.5 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -71.3 | 124.6 | 179.5 | -78.1 | 169 | 179.6 | 0 | 0 | 112.1 | R778 R779 | R778-E782 WeakPolarHBondContact O-CG 3.49Å; R778-E782 PolarHBondContact O-N 2.78Å; R778-E782 VanDerWaalsContact O-N 3.1Å; R779-E782 WeakPolarHBondContact CD-OE2 3.29Å; R779-E782 IonicContact CZ-OE2 2.68Å; R779-E782 IonicContact NE-OE2 2.69Å; R779-E782 IonicContact NH1-OE1 2.73Å; R779-E782 PolarHBondContact NH1-OE1 3.1Å; R779-E782 IonicContact NH1-OE2 2.99Å; R779-E782 PolarHBondContact NH1-OE2 3.21Å |
| 783 | Q | 71.1 | Confident | 85.5 | Confident | 186 Ų | 186 | 63.8 Ų | 63.8 | 87% | 0.869 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -68 | 130.9 | 175.8 | -67 | -169.9 | 3.9 | 0 | 0 | 110.7 | ||
| 784 | P | 71.4 | Confident | 85.4 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -84 | 142.2 | -173.1 | 33.6 | -35.9 | 0 | 0 | 0 | 112.8 | R807 | P784-R807 HydrophobicContact CB-CB 4.11Å; P784-R807 HydrophobicContact CG-CB 4.3Å; P784-R807 HydrophobicContact CG-CG 4.41Å |
| 785 | T | 69.4 | Low | 85.3 | Confident | 105 Ų | 105 | 62.6 Ų | 62.6 | 64% | 0.644 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -90.3 | -18.9 | 175.1 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | M805 | T785-M805 PolarHBondContact N-O 3.41Å; T785-M805 PolarHBondContact OG1-O 3.35Å |
| 786 | S | 75.7 | Confident | 85.3 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | trans | -108.6 | 145.4 | 176.1 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | S788 M805 | S786-S788 VanDerWaalsContact C-N 3.27Å; S786-S788 PolarHBondContact O-N 2.86Å; S786-S788 PolarHBondContact OG-N 3.21Å; S786-M805 WeakPolarHBondContact CB-O 3.31Å; S786-M805 PolarHBondContact N-O 3.15Å | ||
| 787 | R | 77 | Confident | 85.3 | Confident | 162 Ų | 162 | 63.1 Ų | 63.1 | 61% | 0.611 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -67.6 | -24 | 169.8 | -69.3 | -178.9 | 172.5 | 178.4 | -3.7 | 113.2 | R807 W811 Y1041 | R787-R807 PolarHBondContact O-NE 2.91Å; R787-R807 PolarHBondContact O-NH2 2.9Å; R787-W811 HydrophobicContact CB-CH2 4.46Å; R787-Y1041 HydrophobicContact CG-CE2 4.36Å |
| 788 | S | 83.4 | Confident | 85.4 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 41% | 0.413 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -80 | 133.9 | -173.3 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | S786 R807 | S786-S788 VanDerWaalsContact C-N 3.27Å; S786-S788 PolarHBondContact O-N 2.86Å; S786-S788 PolarHBondContact OG-N 3.21Å; S788-R807 WeakPolarHBondContact O-CB 3.49Å; S788-R807 PolarHBondContact O-N 3.42Å |
| 789 | L | 87.8 | Confident | 85.6 | Confident | 24 Ų | 24 | 53 Ų | 53 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -61.1 | 142.2 | 176.7 | -170.8 | 65.2 | 0 | 0 | 0 | 111.6 | H791 M793 A794 M810 | L789-H791 PolarHBondContact O-N 3.34Å; L789-M793 HydrophobicContact CD1-CG 4.49Å; L789-A794 HydrophobicContact CD2-CB 3.83Å; L789-A794 HydrophobicContact CG-CB 4.22Å; L789-M810 HydrophobicContact CD2-CG 4.5Å |
| 790 | C | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 125.7 | -178.6 | 179 | 0 | 0 | 0 | 0 | 111.4 | Q792 M793 A794 C804 R807 H808 | C790-Q792 PolarHBondContact O-N 2.94Å; C790-Q792 VanDerWaalsContact O-N 3.15Å; C790-M793 HydrophobicContact CB-CB 3.81Å; C790-M793 WeakPolarHBondContact O-CA 3.45Å; C790-M793 WeakPolarHBondContact O-CB 3.34Å; C790-M793 PolarHBondContact O-N 3.27Å; C790-A794 PolarHBondContact O-N 3.25Å; C790-C804 VanDerWaalsContact SG-SG 3.62Å; C790-R807 VanDerWaalsContact CB-O 3.29Å; C790-R807 WeakPolarHBondContact CB-O 3.48Å; C790-R807 PolarHBondContact N-O 2.88Å; C790-H808 VanDerWaalsContact CB-CD2 3.45Å; C790-H808 WeakPolarHBondContact CB-CD2 3.49Å |
| 791 | H | 89.9 | Confident | 85.9 | Confident | 111 Ų | 111 | 50.9 Ų | 50.9 | 51% | 0.514 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.8 | -178.3 | -72.8 | 69.6 | 0 | 0 | 0 | 114.7 | L789 A795 | L789-H791 PolarHBondContact O-N 3.34Å; H791-A795 VanDerWaalsContact O-CB 3.27Å; H791-A795 WeakPolarHBondContact O-CB 3.46Å |
| 792 | Q | 92.6 | Very high | 86 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -43.1 | 169.3 | -73.4 | -167.1 | 0.6 | 0 | 0 | 111.3 | C790 A794 A795 F796 D798 R801 L956 D957 R958 | C790-Q792 PolarHBondContact O-N 2.94Å; C790-Q792 VanDerWaalsContact O-N 3.15Å; Q792-A794 PolarHBondContact O-N 3.07Å; Q792-A795 PolarHBondContact O-N 3.12Å; Q792-F796 HydrophobicContact CB-CD2 4.26Å; Q792-F796 WeakPolarHBondContact O-CD2 3.19Å; Q792-F796 PolarHBondContact O-N 3.37Å; Q792-D798 CarbonylContact C-O 3.57Å; Q792-D798 VanDerWaalsContact C-O 3.26Å; Q792-R801 HydrophobicContact CG-CG 4.47Å; Q792-L956 PolarHBondContact NE2-O 3.47Å; Q792-D957 VanDerWaalsContact NE2-C 3.28Å; Q792-D957 PolarHBondContact NE2-O 2.71Å; Q792-R958 VanDerWaalsContact CD-CD 3.48Å |
| 793 | M | 91.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -50.6 | 177.4 | -177 | 57.1 | 73.3 | 0 | 0 | 110.8 | L780 L789 C790 A795 F796 G797 D798 H808 M1032 | L780-M793 HydrophobicContact CD2-CE 3.53Å; L780-M793 HydrophobicContact CG-CE 4.3Å; L789-M793 HydrophobicContact CD1-CG 4.49Å; C790-M793 HydrophobicContact CB-CB 3.81Å; C790-M793 WeakPolarHBondContact O-CA 3.45Å; C790-M793 WeakPolarHBondContact O-CB 3.34Å; C790-M793 PolarHBondContact O-N 3.27Å; M793-A795 PolarHBondContact O-N 2.92Å; M793-F796 PolarHBondContact O-N 2.99Å; M793-G797 WeakPolarHBondContact O-CA 3.19Å; M793-G797 PolarHBondContact O-N 3.01Å; M793-G797 VanDerWaalsContact SD-O 3.36Å; M793-D798 PolarHBondContact N-O 3.07Å; M793-H808 HydrophobicContact CE-CB 4.01Å; M793-M1032 HydrophobicContact CG-CG 4.31Å; M793-M1032 HydrophobicContact CG-SD 3.65Å; M793-M1032 HydrophobicContact SD-CB 4.45Å; M793-M1032 HydrophobicContact SD-CG 4.09Å; M793-M1032 HydrophobicContact SD-SD 3.93Å |
| 794 | A | 91.1 | Very high | 86.8 | Confident | 24 Ų | 24 | 46 Ų | 46 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L789 C790 Q792 | L789-A794 HydrophobicContact CD2-CB 3.83Å; L789-A794 HydrophobicContact CG-CB 4.22Å; C790-A794 PolarHBondContact O-N 3.25Å; Q792-A794 PolarHBondContact O-N 3.07Å |
| 795 | A | 92.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -118.1 | -29.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H791 Q792 M793 R947 | H791-A795 VanDerWaalsContact O-CB 3.27Å; H791-A795 WeakPolarHBondContact O-CB 3.46Å; Q792-A795 PolarHBondContact O-N 3.12Å; M793-A795 PolarHBondContact O-N 2.92Å; A795-R947 VanDerWaalsContact CB-NH1 3.31Å |
| 796 | F | 93.1 | Very high | 88.6 | Confident | 26 Ų | 26 | 48 Ų | 48 | 11% | 0.114 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -133.1 | -4.8 | -170 | -53.1 | -66.2 | 0 | 0 | 0 | 113.7 | Q792 M793 D798 Q952 R958 K1028 | Q792-F796 HydrophobicContact CB-CD2 4.26Å; Q792-F796 WeakPolarHBondContact O-CD2 3.19Å; Q792-F796 PolarHBondContact O-N 3.37Å; M793-F796 PolarHBondContact O-N 2.99Å; F796-D798 WeakPolarHBondContact CB-OD1 3.24Å; F796-D798 PolarHBondContact O-N 3.16Å; F796-Q952 HydrophobicContact CE1-CB 3.97Å; F796-Q952 HydrophobicContact CZ-CB 4.15Å; F796-R958 HydrophobicContact CE2-CB 4.18Å; F796-R958 HydrophobicContact CE2-CG 4.37Å; F796-K1028 WeakPolarHBondContact O-CB 3.43Å; F796-K1028 WeakPolarHBondContact O-CD 3.47Å |
| 797 | G | 92.4 | Very high | 89.3 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 68.4 | 8.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M793 | M793-G797 WeakPolarHBondContact O-CA 3.19Å; M793-G797 PolarHBondContact O-N 3.01Å; M793-G797 VanDerWaalsContact SD-O 3.36Å |
| 798 | D | 93.3 | Very high | 90 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.064 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -148.2 | 165.9 | 176.2 | 60.9 | 14.6 | 0 | 0 | 0 | 111.7 | Q792 M793 F796 R958 K1028 | Q792-D798 CarbonylContact C-O 3.57Å; Q792-D798 VanDerWaalsContact C-O 3.26Å; M793-D798 PolarHBondContact N-O 3.07Å; F796-D798 WeakPolarHBondContact CB-OD1 3.24Å; F796-D798 PolarHBondContact O-N 3.16Å; D798-R958 PolarHBondContact O-NH1 2.67Å; D798-R958 IonicContact OD1-CZ 2.77Å; D798-R958 IonicContact OD1-NH1 3.57Å; D798-R958 PolarHBondContact OD1-NH1 3.25Å; D798-R958 IonicContact OD1-NH2 3.49Å; D798-R958 PolarHBondContact OD1-NH2 2.87Å; D798-R958 IonicContact OD2-NH2 2.74Å; D798-K1028 HydrophobicContact CB-CD 4.44Å; D798-K1028 WeakPolarHBondContact OD2-CD 3.32Å; D798-K1028 WeakPolarHBondContact OD2-CE 3.46Å; D798-K1028 IonicContact OD2-NZ 3.12Å; D798-K1028 PolarHBondContact OD2-NZ 2.83Å |
| 799 | C | 92.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -128.2 | 128.4 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | R779 H808 | R779-C799 HydrophobicContact CB-CB 4.09Å; R779-C799 HydrophobicContact CG-CB 4.14Å; C799-H808 PolarHBondContact SG-NE2 2.72Å | ||
| 800 | L | 92 | Very high | 90.3 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | trans | -119 | 7.6 | -178.8 | -59.4 | 175.9 | 0 | 0 | 0 | 112.9 | W754 L772 L775 | W754-L800 PolarHBondContact NE1-O 3.24Å; L772-L800 HydrophobicContact CB-CD2 4.23Å; L772-L800 HydrophobicContact CD2-CD1 4.29Å; L772-L800 HydrophobicContact CD2-CD2 4.22Å; L775-L800 HydrophobicContact CB-CD2 4.42Å | ||
| 801 | R | 89.2 | Confident | 90.2 | Very high | 64 Ų | 64 | 38.9 Ų | 38.9 | 24% | 0.242 | 19% | 0.185 | C | C | . | . | trans | -60.2 | 143.1 | 177.1 | -67 | 179.9 | 166.5 | 174.5 | -6.9 | 111.4 | R779 Q792 K803 C804 Y806 | R779-R801 PolarHBondContact NE-O 2.65Å; R779-R801 PolarHBondContact NH2-O 3.3Å; Q792-R801 HydrophobicContact CG-CG 4.47Å; R801-K803 VanDerWaalsContact C-N 3.3Å; R801-K803 WeakPolarHBondContact CB-O 3.22Å; R801-K803 PolarHBondContact O-N 2.76Å; R801-C804 HydrophobicContact CB-CB 4.29Å; R801-Y806 VanDerWaalsContact NH1-CD2 3.35Å | ||
| 802 | H | 86 | Confident | 90.2 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -61.6 | -36.9 | 179.2 | -168.8 | -123.7 | 0 | 0 | 0 | 113.2 | E751 W754 R779 | E751-H802 IonicContact OE1-CE1 2.76Å; E751-H802 PolarHBondContact OE1-CE1 2.87Å; E751-H802 IonicContact OE1-NE2 3.52Å; E751-H802 IonicContact OE2-CE1 3.93Å; E751-H802 PolarHBondContact OE2-CE1 3.4Å; E751-H802 VanDerWaalsContact OE2-CE1 3.3Å; E751-H802 IonicContact OE2-NE2 3.58Å; E751-H802 PolarHBondContact OE2-NE2 2.99Å; W754-H802 HydrophobicContact CD2-CB 4.05Å; W754-H802 AromaticContact CD2-CD2 3.34Å; W754-H802 AromaticContact CD2-CG 3.99Å; W754-H802 AromaticContact CE2-CD2 3.93Å; W754-H802 HydrophobicContact CE3-CB 4.41Å; W754-H802 AromaticContact CE3-CD2 3.48Å; W754-H802 VanDerWaalsContact CE3-CD2 3.48Å; W754-H802 AromaticContact CG-CD2 3.53Å; W754-H802 HydrophobicContact CH2-CB 4.2Å; W754-H802 HydrophobicContact CZ2-CB 3.78Å; W754-H802 HydrophobicContact CZ3-CB 4.49Å; R779-H802 PolarHBondContact NH2-O 2.88Å |
| 803 | K | 85.1 | Confident | 89.8 | Confident | 166 Ų | 166 | 44.1 Ų | 44.1 | 72% | 0.722 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -140.1 | 147.8 | 166.9 | -63.4 | -174.3 | 178.4 | -176.8 | 0 | 108.1 | R801 | R801-K803 VanDerWaalsContact C-N 3.3Å; R801-K803 WeakPolarHBondContact CB-O 3.22Å; R801-K803 PolarHBondContact O-N 2.76Å |
| 804 | C | 87.2 | Confident | 89.6 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | trans | -146.2 | 129.6 | 179.4 | -165.9 | 0 | 0 | 0 | 0 | 110.9 | C790 R801 H808 | C790-C804 VanDerWaalsContact SG-SG 3.62Å; R801-C804 HydrophobicContact CB-CB 4.29Å; C804-H808 PolarHBondContact SG-NE2 3.28Å | ||
| 805 | M | 87.6 | Confident | 89.5 | Confident | 127 Ų | 127 | 45.3 Ų | 45.3 | 63% | 0.626 | 21% | 0.21 | S | C | * | . | trans | -94 | -9.8 | 178.5 | -59.3 | -77.3 | -82.9 | 0 | 0 | 112.5 | T785 S786 | T785-M805 PolarHBondContact N-O 3.41Å; T785-M805 PolarHBondContact OG1-O 3.35Å; S786-M805 WeakPolarHBondContact CB-O 3.31Å; S786-M805 PolarHBondContact N-O 3.15Å | ||
| 806 | Y | 89.3 | Confident | 89.3 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 35% | 0.345 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -87.2 | 154.3 | -170.4 | -62.3 | -88.9 | 0 | 0 | 0 | 112.2 | R801 | R801-Y806 VanDerWaalsContact NH1-CD2 3.35Š|
| 807 | R | 90.6 | Very high | 89.1 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -63.4 | 132 | 177.1 | 174.3 | 165.2 | 54.4 | 89.2 | -3.7 | 111.6 | P784 R787 S788 C790 V809 E814 | P784-R807 HydrophobicContact CB-CB 4.11Å; P784-R807 HydrophobicContact CG-CB 4.3Å; P784-R807 HydrophobicContact CG-CG 4.41Å; R787-R807 PolarHBondContact O-NE 2.91Å; R787-R807 PolarHBondContact O-NH2 2.9Å; S788-R807 WeakPolarHBondContact O-CB 3.49Å; S788-R807 PolarHBondContact O-N 3.42Å; C790-R807 VanDerWaalsContact CB-O 3.29Å; C790-R807 WeakPolarHBondContact CB-O 3.48Å; C790-R807 PolarHBondContact N-O 2.88Å; R807-V809 VanDerWaalsContact CD-O 3.25Å; R807-V809 WeakPolarHBondContact CD-O 3.26Å; R807-V809 WeakPolarHBondContact CG-O 3.22Å; R807-V809 PolarHBondContact NH1-O 3.26Å; R807-E814 IonicContact CZ-OE1 2.82Å; R807-E814 IonicContact CZ-OE2 3.58Å; R807-E814 IonicContact NH1-OE1 3.71Å; R807-E814 PolarHBondContact NH1-OE1 3.46Å; R807-E814 IonicContact NH1-OE2 2.67Å; R807-E814 PolarHBondContact NH1-OE2 3.31Å; R807-E814 IonicContact NH2-OE1 2.93Å; R807-E814 PolarHBondContact NH2-OE1 2.87Å; R807-E814 IonicContact NH2-OE2 2.71Å; R807-E814 PolarHBondContact NH2-OE2 2.87Å |
| 808 | H | 92 | Very high | 89 | Confident | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.032 | 25% | 0.246 | C | C | . | . | trans | -106.8 | 12.6 | 176.9 | -60.6 | 126.4 | 0 | 0 | 0 | 113.3 | R779 L780 C790 M793 C799 C804 | R779-H808 WeakPolarHBondContact O-CB 3.26Å; R779-H808 PolarHBondContact O-ND1 2.94Å; L780-H808 HydrophobicContact CD2-CB 4.37Å; L780-H808 WeakPolarHBondContact CD2-O 3.33Å; C790-H808 VanDerWaalsContact CB-CD2 3.45Å; C790-H808 WeakPolarHBondContact CB-CD2 3.49Å; M793-H808 HydrophobicContact CE-CB 4.01Å; C799-H808 PolarHBondContact SG-NE2 2.72Å; C804-H808 PolarHBondContact SG-NE2 3.28Å | ||
| 809 | V | 88.6 | Confident | 88.8 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -125.5 | 122.3 | 179 | 176.7 | 0 | 0 | 0 | 0 | 108.6 | R807 K1037 | R807-V809 VanDerWaalsContact CD-O 3.25Å; R807-V809 WeakPolarHBondContact CD-O 3.26Å; R807-V809 WeakPolarHBondContact CG-O 3.22Å; R807-V809 PolarHBondContact NH1-O 3.26Å; V809-K1037 HydrophobicContact CG1-CB 4.11Å; V809-K1037 HydrophobicContact CG1-CD 3.8Å; V809-K1037 HydrophobicContact CG1-CG 3.71Å |
| 810 | M | 89.4 | Confident | 88.7 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | trans | -72.7 | 143.9 | 176.6 | -161.1 | 174.6 | -159.9 | 0 | 0 | 110.9 | L789 E814 V815 I992 H993 M1032 V1033 S1036 K1037 | L789-M810 HydrophobicContact CD2-CG 4.5Å; M810-E814 HydrophobicContact CE-CB 3.94Å; M810-E814 VanDerWaalsContact CE-O 3.22Å; M810-E814 WeakPolarHBondContact CE-O 3.47Å; M810-E814 HydrophobicContact CG-CB 4.01Å; M810-V815 HydrophobicContact CG-CG2 4.35Å; M810-V815 HydrophobicContact SD-CG2 3.9Å; M810-I992 HydrophobicContact CE-CG2 3.56Å; M810-I992 HydrophobicContact SD-CG2 4.11Å; M810-H993 HydrophobicContact CE-CB 3.76Å; M810-M1032 HydrophobicContact CB-CG 4.21Å; M810-M1032 HydrophobicContact SD-CE 3.88Å; M810-V1033 HydrophobicContact SD-CG2 4.09Å; M810-S1036 VanDerWaalsContact O-CA 3.25Å; M810-S1036 WeakPolarHBondContact O-CA 3.29Å; M810-S1036 WeakPolarHBondContact O-CB 3.49Å; M810-K1037 PolarHBondContact O-N 2.88Å | ||
| 811 | W | 89.9 | Confident | 88.8 | Confident | 40 Ų | 40 | 61 Ų | 61 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -87.9 | 153.9 | 170.2 | -61.8 | -38.8 | 0 | 0 | 0 | 111.3 | R787 D813 E814 V815 K1037 C1039 | R787-W811 HydrophobicContact CB-CH2 4.46Å; W811-D813 VanDerWaalsContact C-N 3.33Å; W811-D813 WeakPolarHBondContact CB-OD1 3.38Å; W811-D813 PolarHBondContact O-N 2.86Å; W811-E814 HydrophobicContact CB-CG 4.11Å; W811-E814 HydrophobicContact CE3-CG 4.37Å; W811-E814 PolarHBondContact N-OE2 3.48Å; W811-E814 WeakPolarHBondContact O-CB 3.28Å; W811-E814 PolarHBondContact O-N 3.19Å; W811-E814 VanDerWaalsContact O-N 3.08Å; W811-V815 PolarHBondContact O-N 3.32Å; W811-K1037 CarbonylContact C-O 3.52Å; W811-K1037 WeakPolarHBondContact CA-O 3.47Å; W811-C1039 HydrophobicContact CD2-CB 3.96Å; W811-C1039 HydrophobicContact CE3-CB 4.3Å; W811-C1039 HydrophobicContact CG-CB 4.08Å |
| 812 | R | 88.7 | Confident | 89 | Confident | 138 Ų | 138 | 59 Ų | 59 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.5 | -35 | -176.7 | -71.9 | -172.3 | -173.7 | 143.3 | 4.9 | 113.9 | E814 V815 K1037 D1038 | R812-E814 VanDerWaalsContact C-N 3.28Å; R812-V815 PolarHBondContact O-N 2.93Å; R812-K1037 PolarHBondContact N-O 2.79Å; R812-D1038 WeakPolarHBondContact CD-OD1 3.46Å; R812-D1038 IonicContact CZ-OD1 3.19Å; R812-D1038 IonicContact CZ-OD2 3.8Å; R812-D1038 VanDerWaalsContact CZ-OD2 3.25Å; R812-D1038 IonicContact NE-OD1 2.91Å; R812-D1038 IonicContact NH1-OD1 2.71Å; R812-D1038 PolarHBondContact NH1-OD1 2.99Å; R812-D1038 IonicContact NH1-OD2 3.74Å; R812-D1038 PolarHBondContact NH1-OD2 3.41Å; R812-D1038 IonicContact NH2-OD2 2.71Å |
| 813 | D | 84.9 | Confident | 89.2 | Confident | 90 Ų | 90 | 61.7 Ų | 61.7 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.2 | -26.8 | 173.6 | 63.1 | -45 | 0 | 0 | 0 | 112.4 | W811 M1042 | W811-D813 VanDerWaalsContact C-N 3.33Å; W811-D813 WeakPolarHBondContact CB-OD1 3.38Å; W811-D813 PolarHBondContact O-N 2.86Å; D813-M1042 HydrophobicContact CB-CE 4.21Å |
| 814 | E | 86.9 | Confident | 89.4 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -77.1 | -23.7 | 175.3 | -63.5 | 176.8 | 141.3 | 0 | 0 | 113.4 | R807 M810 W811 R812 L816 H993 | R807-E814 IonicContact CZ-OE1 2.82Å; R807-E814 IonicContact CZ-OE2 3.58Å; R807-E814 IonicContact NH1-OE1 3.71Å; R807-E814 PolarHBondContact NH1-OE1 3.46Å; R807-E814 IonicContact NH1-OE2 2.67Å; R807-E814 PolarHBondContact NH1-OE2 3.31Å; R807-E814 IonicContact NH2-OE1 2.93Å; R807-E814 PolarHBondContact NH2-OE1 2.87Å; R807-E814 IonicContact NH2-OE2 2.71Å; R807-E814 PolarHBondContact NH2-OE2 2.87Å; M810-E814 HydrophobicContact CE-CB 3.94Å; M810-E814 VanDerWaalsContact CE-O 3.22Å; M810-E814 WeakPolarHBondContact CE-O 3.47Å; M810-E814 HydrophobicContact CG-CB 4.01Å; W811-E814 HydrophobicContact CB-CG 4.11Å; W811-E814 HydrophobicContact CE3-CG 4.37Å; W811-E814 PolarHBondContact N-OE2 3.48Å; W811-E814 WeakPolarHBondContact O-CB 3.28Å; W811-E814 PolarHBondContact O-N 3.19Å; W811-E814 VanDerWaalsContact O-N 3.08Å; R812-E814 VanDerWaalsContact C-N 3.28Å; E814-L816 PolarHBondContact O-N 3.26Å; E814-H993 WeakPolarHBondContact CA-ND1 3.49Å; E814-H993 WeakPolarHBondContact O-CA 3.2Å; E814-H993 WeakPolarHBondContact O-CB 3.41Å; E814-H993 PolarHBondContact O-N 2.91Å; E814-H993 PolarHBondContact O-ND1 2.81Å |
| 815 | V | 88.1 | Confident | 89.7 | Confident | 27 Ų | 27 | 60 Ų | 60 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.3 | -50.7 | -173.6 | 167.3 | 0 | 0 | 0 | 0 | 111.9 | M810 W811 R812 H993 V1033 | M810-V815 HydrophobicContact CG-CG2 4.35Å; M810-V815 HydrophobicContact SD-CG2 3.9Å; W811-V815 PolarHBondContact O-N 3.32Å; R812-V815 PolarHBondContact O-N 2.93Å; V815-H993 PolarHBondContact O-N 3.12Å; V815-V1033 HydrophobicContact CG1-CG1 3.62Å; V815-V1033 HydrophobicContact CG1-CG2 4.38Å; V815-V1033 HydrophobicContact CG2-CG1 4.3Å |
| 816 | L | 88.2 | Confident | 90.1 | Very high | 133 Ų | 133 | 59.3 Ų | 59.3 | 70% | 0.696 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -75.8 | 133 | -171.6 | -65.5 | 176.5 | 0 | 0 | 0 | 111.2 | E814 | E814-L816 PolarHBondContact O-N 3.26Š|
| 817 | P | 89.9 | Confident | 90.5 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 149.6 | 172.9 | 32.8 | -36.2 | 0 | 0 | 0 | 111.2 | K823 A991 H993 | P817-K823 HydrophobicContact CG-CD 4.45Å; P817-K823 HydrophobicContact CG-CG 4.12Å; P817-A991 HydrophobicContact CB-CB 3.89Å; P817-A991 HydrophobicContact CG-CB 3.91Å; P817-A991 WeakPolarHBondContact CG-O 3.44Å; P817-H993 VanDerWaalsContact CA-O 3.24Å; P817-H993 WeakPolarHBondContact CA-O 3.41Å; P817-H993 WeakPolarHBondContact CB-O 3.27Å |
| 818 | P | 89.8 | Confident | 90.7 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 24% | 0.24 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 148.1 | 177.7 | -22.9 | 32.7 | 0 | 0 | 0 | 112.4 | H820 Y821 H993 | P818-H820 PolarHBondContact O-N 2.9Å; P818-Y821 HydrophobicContact CB-CD2 3.86Å; P818-Y821 HydrophobicContact CB-CE2 4.24Å; P818-Y821 HydrophobicContact CG-CD2 3.92Å; P818-Y821 HydrophobicContact CG-CE2 3.96Å; P818-Y821 VanDerWaalsContact O-CB 3.3Å; P818-Y821 WeakPolarHBondContact O-CB 3.45Å; P818-Y821 PolarHBondContact O-N 3.48Å; P818-H993 WeakPolarHBondContact CD-O 3.5Å |
| 819 | D | 89.2 | Confident | 90.8 | Very high | 144 Ų | 144 | 60.3 Ų | 60.3 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.9 | -167.3 | -64.1 | -57.8 | 0 | 0 | 0 | 116.4 | Y821 K823 | D819-Y821 VanDerWaalsContact C-N 3.34Å; D819-K823 IonicContact OD1-NZ 2.7Å |
| 820 | H | 91.1 | Very high | 91 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.4 | 173.6 | 55.2 | -77.4 | 0 | 0 | 0 | 113.4 | P818 Q847 | P818-H820 PolarHBondContact O-N 2.9Å; H820-Q847 PolarHBondContact O-NE2 3.08Å; H820-Q847 PolarHBondContact O-OE1 3.41Å |
| 821 | Y | 93.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -75.5 | 133.2 | 176.9 | -82.6 | -128.7 | 0 | 0 | 0 | 110.7 | P818 D819 K823 R941 M944 R994 I996 | P818-Y821 HydrophobicContact CB-CD2 3.86Å; P818-Y821 HydrophobicContact CB-CE2 4.24Å; P818-Y821 HydrophobicContact CG-CD2 3.92Å; P818-Y821 HydrophobicContact CG-CE2 3.96Å; P818-Y821 VanDerWaalsContact O-CB 3.3Å; P818-Y821 WeakPolarHBondContact O-CB 3.45Å; P818-Y821 PolarHBondContact O-N 3.48Å; D819-Y821 VanDerWaalsContact C-N 3.34Å; Y821-K823 PolarHBondContact O-N 2.84Å; Y821-R941 HydrophobicContact CE2-CG 4.36Å; Y821-M944 HydrophobicContact CD1-SD 4.3Å; Y821-M944 HydrophobicContact CD2-CE 3.8Å; Y821-M944 HydrophobicContact CD2-SD 4.18Å; Y821-M944 HydrophobicContact CE1-CB 4Å; Y821-M944 HydrophobicContact CE1-CG 4.01Å; Y821-M944 HydrophobicContact CE1-SD 4.27Å; Y821-M944 HydrophobicContact CE2-CE 3.88Å; Y821-M944 HydrophobicContact CE2-CG 3.91Å; Y821-M944 HydrophobicContact CE2-SD 4.15Å; Y821-M944 HydrophobicContact CG-CE 4.35Å; Y821-M944 HydrophobicContact CG-SD 4.25Å; Y821-R994 WeakPolarHBondContact CE1-O 3.41Å; Y821-R994 PolarHBondContact OH-O 3.22Å; Y821-I996 HydrophobicContact CD1-CD1 4.01Å; Y821-I996 HydrophobicContact CD1-CG1 3.73Å; Y821-I996 HydrophobicContact CE1-CD1 4.36Å; Y821-I996 HydrophobicContact CE1-CG1 4.13Å |
| 822 | P | 93.5 | Very high | 91.1 | Very high | 21 Ų | 21 | 60 Ų | 60 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | trans | -68 | 122.4 | 175.4 | 27.6 | -33.1 | 0 | 0 | 0 | 109.6 | I827 L844 V988 I996 | P822-I827 HydrophobicContact CB-CG2 3.76Å; P822-I827 HydrophobicContact CG-CG2 3.68Å; P822-L844 HydrophobicContact CG-CD1 3.81Å; P822-V988 HydrophobicContact CB-CG2 4.34Å; P822-V988 HydrophobicContact CG-CG2 4.25Å; P822-I996 HydrophobicContact CG-CD1 3.92Å | ||
| 823 | K | 89.6 | Confident | 91.2 | Very high | 109 Ų | 109 | 55.5 Ų | 55.5 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | trans | -86 | -23.5 | -177 | -61.7 | 176.4 | -175.1 | 174.5 | 0 | 112.2 | P817 D819 Y821 | P817-K823 HydrophobicContact CG-CD 4.45Å; P817-K823 HydrophobicContact CG-CG 4.12Å; D819-K823 IonicContact OD1-NZ 2.7Å; Y821-K823 PolarHBondContact O-N 2.84Å | ||
| 824 | N | 90.2 | Very high | 91.6 | Very high | 125 Ų | 125 | 51.7 Ų | 51.7 | 67% | 0.668 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -158.6 | 177.7 | 174.9 | 57.6 | 18.1 | 0 | 0 | 0 | 110.4 | ||
| 825 | G | 93.7 | Very high | 91.8 | Very high | 34 Ų | 34 | 53 Ų | 53 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 93.3 | -176.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | V987 V988 | G825-V987 CarbonylContact O-C 3.59Å; G825-V987 WeakPolarHBondContact O-CA 3.37Å; G825-V988 PolarHBondContact O-N 3.06Å |
| 826 | L | 95.5 | Very high | 92 | Very high | 112 Ų | 112 | 52.4 Ų | 52.4 | 59% | 0.586 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 132.7 | 176.8 | -179 | 71.2 | 0 | 0 | 0 | 110.1 | H985 V987 | L826-H985 HydrophobicContact CD1-CB 4.29Å; L826-V987 HydrophobicContact CD1-CG2 4.07Å |
| 827 | I | 96.2 | Very high | 92.3 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.6 | 176.2 | 55.6 | 164.9 | 0 | 0 | 0 | 111 | P822 F829 L844 L946 H985 A986 V988 I996 | P822-I827 HydrophobicContact CB-CG2 3.76Å; P822-I827 HydrophobicContact CG-CG2 3.68Å; I827-F829 HydrophobicContact CD1-CD1 3.97Å; I827-F829 HydrophobicContact CD1-CE1 4.21Å; I827-F829 HydrophobicContact CG1-CD1 4.11Å; I827-F829 HydrophobicContact CG1-CE1 4.34Å; I827-L844 HydrophobicContact CB-CD2 4.19Å; I827-L844 HydrophobicContact CD1-CD2 4.06Å; I827-L946 HydrophobicContact CD1-CD1 3.66Å; I827-H985 WeakPolarHBondContact O-CA 3.33Å; I827-H985 WeakPolarHBondContact O-CB 3.19Å; I827-A986 HydrophobicContact CG1-CB 4.36Å; I827-A986 VanDerWaalsContact CG1-O 3.3Å; I827-A986 WeakPolarHBondContact CG1-O 3.45Å; I827-A986 PolarHBondContact N-O 2.94Å; I827-A986 PolarHBondContact O-N 2.86Å; I827-A986 VanDerWaalsContact O-N 3.16Å; I827-V988 HydrophobicContact CD1-CG2 3.85Å; I827-V988 HydrophobicContact CG1-CG2 3.99Å; I827-V988 HydrophobicContact CG2-CG2 3.81Å; I827-I996 HydrophobicContact CD1-CG2 4.37Å |
| 828 | R | 95.4 | Very high | 92.5 | Very high | 119 Ų | 119 | 45.9 Ų | 45.9 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 135.3 | 166.4 | -64.8 | 177.5 | -73.3 | -117.5 | 3.6 | 110.3 | L844 S845 D846 F984 H985 | R828-L844 WeakPolarHBondContact O-CA 3.47Å; R828-S845 PolarHBondContact O-N 2.97Å; R828-D846 WeakPolarHBondContact CB-OD2 3.13Å; R828-D846 IonicContact CZ-OD1 3.81Å; R828-D846 VanDerWaalsContact CZ-OD1 3.24Å; R828-D846 IonicContact CZ-OD2 3.46Å; R828-D846 IonicContact NE-OD1 3.8Å; R828-D846 PolarHBondContact NE-OD1 3.38Å; R828-D846 IonicContact NE-OD2 3.43Å; R828-D846 PolarHBondContact NE-OD2 3.4Å; R828-D846 IonicContact NH2-OD1 2.63Å; R828-D846 PolarHBondContact NH2-OD1 3.34Å; R828-D846 IonicContact NH2-OD2 2.71Å; R828-F984 WeakPolarHBondContact CA-O 3.48Å; R828-H985 HydrophobicContact CG-CB 4.44Å |
| 829 | F | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 161.6 | -174.8 | 60 | -91.1 | 0 | 0 | 0 | 113.8 | I827 V831 V842 R843 L844 L946 F984 A986 I1001 | I827-F829 HydrophobicContact CD1-CD1 3.97Å; I827-F829 HydrophobicContact CD1-CE1 4.21Å; I827-F829 HydrophobicContact CG1-CD1 4.11Å; I827-F829 HydrophobicContact CG1-CE1 4.34Å; F829-V831 HydrophobicContact CD2-CG2 4.22Å; F829-V831 HydrophobicContact CE2-CG2 3.95Å; F829-V842 HydrophobicContact CB-CB 4.15Å; F829-V842 HydrophobicContact CB-CG2 4.45Å; F829-V842 HydrophobicContact CD2-CB 3.65Å; F829-V842 HydrophobicContact CD2-CG1 3.48Å; F829-V842 VanDerWaalsContact CD2-CG1 3.48Å; F829-V842 HydrophobicContact CD2-CG2 4.36Å; F829-V842 HydrophobicContact CE2-CB 4.32Å; F829-V842 HydrophobicContact CE2-CG1 3.65Å; F829-V842 HydrophobicContact CG-CB 4.1Å; F829-V842 HydrophobicContact CG-CG1 4.32Å; F829-V842 HydrophobicContact CG-CG2 4.42Å; F829-R843 CarbonylContact C-O 3.55Å; F829-R843 WeakPolarHBondContact CA-O 3.12Å; F829-R843 VanDerWaalsContact CB-O 3.31Å; F829-R843 WeakPolarHBondContact CB-O 3.37Å; F829-L844 HydrophobicContact CB-CD2 4.19Å; F829-L946 HydrophobicContact CD1-CD1 4.26Å; F829-L946 HydrophobicContact CE1-CD1 3.88Å; F829-L946 HydrophobicContact CE2-CD1 4.48Å; F829-L946 HydrophobicContact CZ-CD1 3.99Å; F829-L946 HydrophobicContact CZ-CD2 4.37Å; F829-F984 WeakPolarHBondContact CD1-O 3.41Å; F829-F984 HydrophobicContact CD2-CB 4.05Å; F829-F984 HydrophobicContact CE1-CB 4.44Å; F829-F984 HydrophobicContact CE2-CB 3.64Å; F829-F984 HydrophobicContact CZ-CB 3.87Å; F829-F984 PolarHBondContact N-O 2.86Å; F829-F984 PolarHBondContact O-N 2.81Å; F829-A986 HydrophobicContact CE1-CB 3.78Å; F829-A986 HydrophobicContact CZ-CB 4.34Å; F829-I1001 HydrophobicContact CE2-CG2 4.3Å; F829-I1001 HydrophobicContact CZ-CD1 4.16Å; F829-I1001 HydrophobicContact CZ-CG1 4.19Å; F829-I1001 HydrophobicContact CZ-CG2 3.71Å |
| 830 | L | 92.3 | Very high | 93 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.089 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.6 | 170 | -176.8 | 59.3 | 0 | 0 | 0 | 108.5 | L832 V842 R843 S845 P858 R982 | L830-L832 PolarHBondContact O-N 2.84Å; L830-V842 CarbonylContact O-C 3.54Å; L830-V842 WeakPolarHBondContact O-CA 3.24Å; L830-R843 PolarHBondContact N-O 2.7Å; L830-R843 PolarHBondContact O-N 3.33Å; L830-S845 PolarHBondContact N-OG 3.5Å; L830-P858 HydrophobicContact CD2-CB 3.63Å; L830-P858 HydrophobicContact CD2-CG 3.57Å; L830-R982 WeakPolarHBondContact CD1-O 3.43Å |
| 831 | V | 91.9 | Very high | 93.2 | Very high | 26 Ų | 26 | 35.4 Ų | 35.4 | 16% | 0.158 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 119 | 174.8 | 178.9 | 0 | 0 | 0 | 0 | 109 | F829 L840 V842 F973 F984 | F829-V831 HydrophobicContact CD2-CG2 4.22Å; F829-V831 HydrophobicContact CE2-CG2 3.95Å; V831-L840 HydrophobicContact CG1-CD1 4.46Å; V831-L840 HydrophobicContact CG2-CD1 4.06Å; V831-V842 HydrophobicContact CG2-CG1 4.42Å; V831-F973 HydrophobicContact CB-CD1 4.47Å; V831-F973 HydrophobicContact CG2-CD1 3.93Å; V831-F973 HydrophobicContact CG2-CE1 3.75Å; V831-F973 HydrophobicContact CG2-CZ 4.31Å; V831-F984 HydrophobicContact CG2-CD2 3.83Å; V831-F984 HydrophobicContact CG2-CE2 4.21Å; V831-F984 HydrophobicContact CG2-CG 4.3Å |
| 832 | L | 90.1 | Very high | 93.3 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 13% | 0.126 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -52.5 | 176.6 | -56 | 174.8 | 0 | 0 | 0 | 110.1 | L830 A841 R843 F857 T917 A943 | L830-L832 PolarHBondContact O-N 2.84Å; L832-A841 HydrophobicContact CB-CB 4.45Å; L832-A841 WeakPolarHBondContact CB-O 3.35Å; L832-A841 PolarHBondContact N-O 3.02Å; L832-R843 HydrophobicContact CD1-CB 4.05Å; L832-R843 HydrophobicContact CD2-CB 4.09Å; L832-R843 HydrophobicContact CG-CB 4.16Å; L832-F857 HydrophobicContact CD2-CZ 4.23Å; L832-T917 WeakPolarHBondContact CB-O 3.46Å; L832-A943 HydrophobicContact CD1-CB 3.85Å |
| 833 | V | 90.6 | Very high | 93.3 | Very high | 42 Ų | 42 | 34.3 Ų | 34.3 | 26% | 0.255 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141.1 | -179.7 | -165.7 | 0 | 0 | 0 | 0 | 110.2 | Y835 L840 A841 | V833-Y835 HydrophobicContact CB-CD1 4.33Å; V833-Y835 HydrophobicContact CB-CE1 3.65Å; V833-Y835 HydrophobicContact CG1-CD1 3.75Å; V833-Y835 HydrophobicContact CG1-CE1 3.38Å; V833-Y835 HydrophobicContact CG2-CE1 4.43Å; V833-L840 CarbonylContact O-C 3.6Å; V833-L840 WeakPolarHBondContact O-CA 3.48Å; V833-A841 HydrophobicContact CB-CB 4.31Å; V833-A841 PolarHBondContact N-O 3.43Å; V833-A841 PolarHBondContact O-N 3.42Å |
| 834 | C | 92.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 104.2 | 172.1 | 170.1 | 0 | 0 | 0 | 0 | 108.7 | L840 R965 F973 | C834-L840 HydrophobicContact CB-CD2 3.76Å; C834-R965 VanDerWaalsContact O-CD 3.23Å; C834-R965 WeakPolarHBondContact O-CD 3.38Å; C834-R965 VanDerWaalsContact O-CG 3.27Å; C834-R965 WeakPolarHBondContact O-CG 3.46Å; C834-F973 HydrophobicContact CB-CD2 4.09Å; C834-F973 HydrophobicContact CB-CE2 3.98Å |
| 835 | Y | 91.5 | Very high | 93.6 | Very high | 49 Ų | 49 | 24.2 Ų | 24.2 | 19% | 0.192 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -35.7 | 179.9 | -52.3 | -51.9 | 0 | 0 | 0 | 111.9 | V833 A839 A841 S918 T919 E920 R965 | V833-Y835 HydrophobicContact CB-CD1 4.33Å; V833-Y835 HydrophobicContact CB-CE1 3.65Å; V833-Y835 HydrophobicContact CG1-CD1 3.75Å; V833-Y835 HydrophobicContact CG1-CE1 3.38Å; V833-Y835 HydrophobicContact CG2-CE1 4.43Å; Y835-A839 WeakPolarHBondContact CB-O 3.48Å; Y835-A839 PolarHBondContact N-O 3.06Å; Y835-A841 HydrophobicContact CE2-CB 3.79Å; Y835-A841 VanDerWaalsContact CE2-N 3.33Å; Y835-A841 WeakPolarHBondContact OH-CB 3.31Å; Y835-S918 PolarHBondContact OH-OG 3.36Å; Y835-T919 PolarHBondContact OH-N 3.06Å; Y835-T919 PolarHBondContact OH-OG1 3.49Å; Y835-E920 HydrophobicContact CD1-CG 4.13Å; Y835-E920 HydrophobicContact CE1-CG 3.46Å; Y835-E920 VanDerWaalsContact CE1-CG 3.46Å; Y835-E920 WeakPolarHBondContact CE1-OE1 3.37Å; Y835-E920 WeakPolarHBondContact CE1-OE2 3.22Å; Y835-R965 WeakPolarHBondContact O-CD 3.5Å |
| 836 | S | 92.9 | Very high | 93.4 | Very high | 15 Ų | 15 | 27 Ų | 27 | 11% | 0.105 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 170.5 | 174.8 | 74.7 | 0 | 0 | 0 | 0 | 110.4 | A838 A839 W960 | S836-A838 PolarHBondContact O-N 2.93Å; S836-A838 PolarHBondContact OG-N 3.42Å; S836-A839 PolarHBondContact N-O 3.48Å; S836-A839 PolarHBondContact O-N 3.38Å; S836-A839 PolarHBondContact OG-N 2.94Å; S836-A839 VanDerWaalsContact OG-N 3.13Å; S836-W960 VanDerWaalsContact CB-CD1 3.47Å |
| 837 | P | 93.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -16.1 | 168.7 | -30.4 | 38.9 | 0 | 0 | 0 | 116 | W960 A964 V968 V1013 | P837-W960 HydrophobicContact CB-CD2 4.19Å; P837-W960 HydrophobicContact CB-CE3 4.06Å; P837-W960 HydrophobicContact CB-CH2 3.99Å; P837-W960 HydrophobicContact CB-CZ2 4.15Å; P837-W960 HydrophobicContact CB-CZ3 3.95Å; P837-W960 HydrophobicContact CG-CD2 3.89Å; P837-W960 HydrophobicContact CG-CE3 3.62Å; P837-W960 HydrophobicContact CG-CG 4.42Å; P837-W960 HydrophobicContact CG-CH2 4.44Å; P837-W960 HydrophobicContact CG-CZ3 3.91Å; P837-A964 HydrophobicContact CG-CB 3.92Å; P837-V968 HydrophobicContact CB-CG2 4.08Å; P837-V968 HydrophobicContact CG-CG2 3.99Å; P837-V1013 HydrophobicContact CB-CG1 3.96Å; P837-V1013 HydrophobicContact CB-CG2 3.79Å |
| 838 | A | 94.4 | Very high | 93 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 8% | 0.083 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 0.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S836 R947 I948 L951 W960 | S836-A838 PolarHBondContact O-N 2.93Å; S836-A838 PolarHBondContact OG-N 3.42Å; A838-R947 VanDerWaalsContact O-CA 3.26Å; A838-R947 WeakPolarHBondContact O-CA 3.03Å; A838-I948 PolarHBondContact O-N 2.82Å; A838-L951 HydrophobicContact CB-CB 4Å; A838-L951 HydrophobicContact CB-CD2 3.93Å; A838-L951 HydrophobicContact CB-CG 3.91Å; A838-L951 VanDerWaalsContact CB-O 3.25Å; A838-L951 WeakPolarHBondContact CB-O 3.42Å; A838-W960 HydrophobicContact CB-CZ2 4.15Å |
| 839 | A | 94.8 | Very high | 92.8 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 8% | 0.083 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 130.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y835 S836 R947 | Y835-A839 WeakPolarHBondContact CB-O 3.48Å; Y835-A839 PolarHBondContact N-O 3.06Å; S836-A839 PolarHBondContact N-O 3.48Å; S836-A839 PolarHBondContact O-N 3.38Å; S836-A839 PolarHBondContact OG-N 2.94Å; S836-A839 VanDerWaalsContact OG-N 3.13Å; A839-R947 HydrophobicContact CB-CG 4.04Å |
| 840 | L | 95.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 152.6 | -172.1 | -48.2 | 175.5 | 0 | 0 | 0 | 110.5 | V831 V833 C834 V842 L946 F973 I1001 | V831-L840 HydrophobicContact CG1-CD1 4.46Å; V831-L840 HydrophobicContact CG2-CD1 4.06Å; V833-L840 CarbonylContact O-C 3.6Å; V833-L840 WeakPolarHBondContact O-CA 3.48Å; C834-L840 HydrophobicContact CB-CD2 3.76Å; L840-V842 HydrophobicContact CB-CG1 3.91Å; L840-V842 HydrophobicContact CD1-CG1 4.28Å; L840-L946 HydrophobicContact CD1-CD2 4.48Å; L840-L946 PolarHBondContact N-O 2.87Å; L840-L946 PolarHBondContact O-N 2.69Å; L840-F973 HydrophobicContact CD1-CE1 4.25Å; L840-F973 HydrophobicContact CD1-CE2 4.36Å; L840-F973 HydrophobicContact CD1-CZ 3.62Å; L840-F973 HydrophobicContact CD2-CE2 3.64Å; L840-F973 HydrophobicContact CD2-CZ 3.73Å; L840-F973 HydrophobicContact CG-CZ 4.36Å; L840-I1001 HydrophobicContact CD1-CD1 3.45Å; L840-I1001 VanDerWaalsContact CD1-CD1 3.45Å; L840-I1001 HydrophobicContact CG-CD1 4.49Å |
| 841 | A | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 130.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L832 V833 Y835 T919 M944 | L832-A841 HydrophobicContact CB-CB 4.45Å; L832-A841 WeakPolarHBondContact CB-O 3.35Å; L832-A841 PolarHBondContact N-O 3.02Å; V833-A841 HydrophobicContact CB-CB 4.31Å; V833-A841 PolarHBondContact N-O 3.43Å; V833-A841 PolarHBondContact O-N 3.42Å; Y835-A841 HydrophobicContact CE2-CB 3.79Å; Y835-A841 VanDerWaalsContact CE2-N 3.33Å; Y835-A841 WeakPolarHBondContact OH-CB 3.31Å; A841-T919 HydrophobicContact CB-CG2 4.36Å; A841-M944 WeakPolarHBondContact CA-O 3.43Å |
| 842 | V | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 158 | -177.4 | -56 | 0 | 0 | 0 | 0 | 110.8 | F829 L830 V831 L840 M944 L946 | F829-V842 HydrophobicContact CB-CB 4.15Å; F829-V842 HydrophobicContact CB-CG2 4.45Å; F829-V842 HydrophobicContact CD2-CB 3.65Å; F829-V842 HydrophobicContact CD2-CG1 3.48Å; F829-V842 VanDerWaalsContact CD2-CG1 3.48Å; F829-V842 HydrophobicContact CD2-CG2 4.36Å; F829-V842 HydrophobicContact CE2-CB 4.32Å; F829-V842 HydrophobicContact CE2-CG1 3.65Å; F829-V842 HydrophobicContact CG-CB 4.1Å; F829-V842 HydrophobicContact CG-CG1 4.32Å; F829-V842 HydrophobicContact CG-CG2 4.42Å; L830-V842 CarbonylContact O-C 3.54Å; L830-V842 WeakPolarHBondContact O-CA 3.24Å; V831-V842 HydrophobicContact CG2-CG1 4.42Å; L840-V842 HydrophobicContact CB-CG1 3.91Å; L840-V842 HydrophobicContact CD1-CG1 4.28Å; V842-M944 HydrophobicContact CG2-CB 4.27Å; V842-M944 PolarHBondContact N-O 3.48Å; V842-M944 PolarHBondContact O-N 3.48Å; V842-L946 HydrophobicContact CG1-CB 3.99Å; V842-L946 HydrophobicContact CG1-CD1 4.41Å; V842-L946 HydrophobicContact CG2-CB 3.67Å; V842-L946 HydrophobicContact CG2-CD1 3.92Å; V842-L946 HydrophobicContact CG2-CG 4.42Å |
| 843 | R | 94.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 125.8 | 169.2 | -178.1 | 169.3 | 75.7 | 175.3 | 3.9 | 110.5 | F829 L830 L832 S845 F848 T850 M859 S860 E942 | F829-R843 CarbonylContact C-O 3.55Å; F829-R843 WeakPolarHBondContact CA-O 3.12Å; F829-R843 VanDerWaalsContact CB-O 3.31Å; F829-R843 WeakPolarHBondContact CB-O 3.37Å; L830-R843 PolarHBondContact N-O 2.7Å; L830-R843 PolarHBondContact O-N 3.33Å; L832-R843 HydrophobicContact CD1-CB 4.05Å; L832-R843 HydrophobicContact CD2-CB 4.09Å; L832-R843 HydrophobicContact CG-CB 4.16Å; R843-S845 PolarHBondContact O-N 3.22Å; R843-F848 HydrophobicContact CG-CB 3.63Å; R843-F848 HydrophobicContact CG-CD2 4.31Å; R843-F848 HydrophobicContact CG-CG 4.39Å; R843-F848 PolarHBondContact NE-O 2.92Å; R843-T850 PolarHBondContact NH2-OG1 2.96Å; R843-M859 PolarHBondContact NH2-O 3.04Å; R843-M859 VanDerWaalsContact NH2-O 3.16Å; R843-S860 VanDerWaalsContact NH1-CB 3.31Å; R843-E942 WeakPolarHBondContact CD-OE2 3.12Å; R843-E942 HydrophobicContact CG-CB 4.21Å; R843-E942 IonicContact CZ-OE2 3.67Å; R843-E942 IonicContact NE-OE2 2.67Å; R843-E942 IonicContact NH1-OE2 2.77Å; R843-E942 PolarHBondContact NH1-OE2 2.85Å |
| 844 | L | 94.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 116.3 | 179.5 | -57.5 | -176.3 | 0 | 0 | 0 | 110.1 | P822 I827 R828 F829 D846 Q847 F848 M944 | P822-L844 HydrophobicContact CG-CD1 3.81Å; I827-L844 HydrophobicContact CB-CD2 4.19Å; I827-L844 HydrophobicContact CD1-CD2 4.06Å; R828-L844 WeakPolarHBondContact O-CA 3.47Å; F829-L844 HydrophobicContact CB-CD2 4.19Å; L844-D846 VanDerWaalsContact C-N 3.29Å; L844-D846 PolarHBondContact O-N 2.96Å; L844-Q847 HydrophobicContact CB-CB 4.27Å; L844-Q847 HydrophobicContact CB-CG 4.39Å; L844-Q847 HydrophobicContact CD1-CG 4.47Å; L844-Q847 PolarHBondContact O-N 2.89Å; L844-F848 PolarHBondContact O-N 3.46Å; L844-M944 HydrophobicContact CD1-CE 3.78Å; L844-M944 HydrophobicContact CD1-SD 3.57Å; L844-M944 VanDerWaalsContact CD1-SD 3.57Å; L844-M944 HydrophobicContact CD2-SD 4.38Å; L844-M944 HydrophobicContact CG-CE 4.21Å; L844-M944 HydrophobicContact CG-SD 3.72Å |
| 845 | S | 91.4 | Very high | 90.8 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 11% | 0.112 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22.5 | -172.4 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | R828 L830 R843 | R828-S845 PolarHBondContact O-N 2.97Å; L830-S845 PolarHBondContact N-OG 3.5Å; R843-S845 PolarHBondContact O-N 3.22Å |
| 846 | D | 90 | Very high | 90.2 | Very high | 92 Ų | 92 | 42.1 Ų | 42.1 | 49% | 0.492 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -20.1 | 177 | -57.5 | -54.5 | 0 | 0 | 0 | 113.4 | R828 L844 | R828-D846 WeakPolarHBondContact CB-OD2 3.13Å; R828-D846 IonicContact CZ-OD1 3.81Å; R828-D846 VanDerWaalsContact CZ-OD1 3.24Å; R828-D846 IonicContact CZ-OD2 3.46Å; R828-D846 IonicContact NE-OD1 3.8Å; R828-D846 PolarHBondContact NE-OD1 3.38Å; R828-D846 IonicContact NE-OD2 3.43Å; R828-D846 PolarHBondContact NE-OD2 3.4Å; R828-D846 IonicContact NH2-OD1 2.63Å; R828-D846 PolarHBondContact NH2-OD1 3.34Å; R828-D846 IonicContact NH2-OD2 2.71Å; L844-D846 VanDerWaalsContact C-N 3.29Å; L844-D846 PolarHBondContact O-N 2.96Å |
| 847 | Q | 90.7 | Very high | 89.6 | Confident | 84 Ų | 84 | 43.5 Ų | 43.5 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -40.6 | 176.8 | -65.8 | -176.2 | -0.7 | 0 | 0 | 112.2 | H820 L844 P849 | H820-Q847 PolarHBondContact O-NE2 3.08Å; H820-Q847 PolarHBondContact O-OE1 3.41Å; L844-Q847 HydrophobicContact CB-CB 4.27Å; L844-Q847 HydrophobicContact CB-CG 4.39Å; L844-Q847 HydrophobicContact CD1-CG 4.47Å; L844-Q847 PolarHBondContact O-N 2.89Å; Q847-P849 WeakPolarHBondContact O-CD 3.45Å |
| 848 | F | 92.3 | Very high | 89.2 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 11% | 0.114 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -128.1 | 76.9 | -172.7 | -50.9 | -67.7 | 0 | 0 | 0 | 109.3 | R843 L844 P940 E942 M944 | R843-F848 HydrophobicContact CG-CB 3.63Å; R843-F848 HydrophobicContact CG-CD2 4.31Å; R843-F848 HydrophobicContact CG-CG 4.39Å; R843-F848 PolarHBondContact NE-O 2.92Å; L844-F848 PolarHBondContact O-N 3.46Å; F848-P940 HydrophobicContact CE1-CG 3.92Å; F848-P940 HydrophobicContact CZ-CB 4.47Å; F848-P940 HydrophobicContact CZ-CG 4Å; F848-E942 HydrophobicContact CB-CG 4.22Å; F848-E942 HydrophobicContact CD1-CG 3.8Å; F848-E942 HydrophobicContact CD2-CB 4.41Å; F848-E942 HydrophobicContact CD2-CG 4.39Å; F848-E942 HydrophobicContact CE1-CG 4.27Å; F848-E942 HydrophobicContact CG-CB 4.28Å; F848-E942 HydrophobicContact CG-CG 3.87Å; F848-M944 HydrophobicContact CE2-CE 4.04Å |
| 849 | P | 91 | Very high | 88.9 | Confident | 66 Ų | 66 | 44.3 Ų | 44.3 | 43% | 0.429 | 24% | 0.236 | S | C | . | . | trans | -62.9 | 163.6 | -178.7 | 26.8 | -35.2 | 0 | 0 | 0 | 112 | Q847 | Q847-P849 WeakPolarHBondContact O-CD 3.45Š| ||
| 850 | T | 89.3 | Confident | 88.8 | Confident | 43 Ų | 43 | 44 Ų | 44 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | trans | -91.5 | 105.7 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 109.9 | R843 P858 M859 | R843-T850 PolarHBondContact NH2-OG1 2.96Å; T850-P858 HydrophobicContact CG2-CB 3.62Å; T850-M859 CarbonylContact C-O 3.58Å; T850-M859 VanDerWaalsContact CA-O 3.29Å; T850-M859 WeakPolarHBondContact CA-O 3.38Å | ||
| 851 | A | 88.1 | Confident | 88.6 | Confident | 49 Ų | 49 | 48.3 Ų | 48.3 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | trans | -76.1 | -50.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M859 | A851-M859 PolarHBondContact N-O 2.73Š| ||
| 852 | I | 87.3 | Confident | 88.5 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 162.7 | -174.9 | -162.6 | 163.9 | 0 | 0 | 0 | 111.9 | M859 E864 | I852-M859 HydrophobicContact CG2-CB 4Å; I852-M859 HydrophobicContact CG2-CE 3.68Å; I852-M859 PolarHBondContact O-N 2.98Å; I852-E864 VanDerWaalsContact CB-OE2 3.29Å; I852-E864 WeakPolarHBondContact CB-OE2 3.03Å; I852-E864 HydrophobicContact CG2-CB 4.06Å; I852-E864 HydrophobicContact CG2-CG 4.04Å; I852-E864 WeakPolarHBondContact CG2-OE2 3.21Å |
| 853 | R | 83 | Confident | 88.4 | Confident | 81 Ų | 81 | 49.5 Ų | 49.5 | 31% | 0.306 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.1 | 166 | -74.1 | -177.7 | 172.1 | -81.8 | -8 | 110.7 | N856 F857 R980 N981 | R853-N856 PolarHBondContact NH1-O 2.7Å; R853-F857 CarbonylContact C-O 3.49Å; R853-F857 VanDerWaalsContact CA-O 3.26Å; R853-F857 WeakPolarHBondContact CA-O 3.31Å; R853-R980 VanDerWaalsContact CZ-O 3.3Å; R853-R980 PolarHBondContact NH2-O 2.99Å; R853-N981 PolarHBondContact NE-OD1 2.89Å; R853-N981 VanDerWaalsContact NE-OD1 3.07Å; R853-N981 PolarHBondContact NH2-OD1 3Å |
| 854 | F | 81.9 | Confident | 88.3 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 28% | 0.281 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.2 | 178.1 | 179 | -93 | 0 | 0 | 0 | 109.1 | N856 F857 M859 Q867 R895 | F854-N856 PolarHBondContact O-N 2.8Å; F854-F857 PolarHBondContact N-O 3.03Å; F854-F857 WeakPolarHBondContact O-CA 3.47Å; F854-F857 WeakPolarHBondContact O-CB 3.34Å; F854-F857 PolarHBondContact O-N 2.67Å; F854-M859 HydrophobicContact CB-CE 3.6Å; F854-M859 HydrophobicContact CB-SD 3.93Å; F854-M859 HydrophobicContact CG-CE 4.24Å; F854-Q867 HydrophobicContact CZ-CG 4.43Å; F854-R895 HydrophobicContact CD1-CG 3.64Å; F854-R895 HydrophobicContact CE1-CG 3.65Å |
| 855 | L | 80.3 | Confident | 88.3 | Confident | 113 Ų | 113 | 56.5 Ų | 56.5 | 59% | 0.592 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 41.7 | -171.3 | -56 | 177.4 | 0 | 0 | 0 | 112.5 | F857 N894 | L855-F857 PolarHBondContact O-N 3.36Å; L855-F857 VanDerWaalsContact O-N 3.1Å; L855-N894 HydrophobicContact CD1-CB 3.96Å |
| 856 | N | 78.1 | Confident | 88.5 | Confident | 137 Ų | 137 | 55.9 Ų | 55.9 | 73% | 0.733 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -10.9 | -170.1 | -62.1 | -65.8 | 0 | 0 | 0 | 116.9 | R853 F854 | R853-N856 PolarHBondContact NH1-O 2.7Å; F854-N856 PolarHBondContact O-N 2.8Å |
| 857 | F | 80.5 | Confident | 88.7 | Confident | 45 Ų | 45 | 51.9 Ų | 51.9 | 20% | 0.197 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 133.3 | 178 | -167.2 | -85.4 | 0 | 0 | 0 | 111.7 | L832 R853 F854 L855 M859 T917 | L832-F857 HydrophobicContact CD2-CZ 4.23Å; R853-F857 CarbonylContact C-O 3.49Å; R853-F857 VanDerWaalsContact CA-O 3.26Å; R853-F857 WeakPolarHBondContact CA-O 3.31Å; F854-F857 PolarHBondContact N-O 3.03Å; F854-F857 WeakPolarHBondContact O-CA 3.47Å; F854-F857 WeakPolarHBondContact O-CB 3.34Å; F854-F857 PolarHBondContact O-N 2.67Å; L855-F857 PolarHBondContact O-N 3.36Å; L855-F857 VanDerWaalsContact O-N 3.1Å; F857-M859 HydrophobicContact CD1-CG 4.18Å; F857-T917 HydrophobicContact CE1-CG2 3.57Å; F857-T917 HydrophobicContact CZ-CG2 3.75Å |
| 858 | P | 84.9 | Confident | 88.9 | Confident | 13 Ų | 13 | 55.2 Ų | 55.2 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 120.5 | 178.4 | 30.9 | -32.4 | 0 | 0 | 0 | 111.8 | L830 T850 | L830-P858 HydrophobicContact CD2-CB 3.63Å; L830-P858 HydrophobicContact CD2-CG 3.57Å; T850-P858 HydrophobicContact CG2-CB 3.62Å |
| 859 | M | 88.1 | Confident | 89 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 164.6 | 175.7 | -55.4 | -163.3 | -47.7 | 0 | 0 | 111 | R843 T850 A851 I852 F854 F857 E864 Q867 | R843-M859 PolarHBondContact NH2-O 3.04Å; R843-M859 VanDerWaalsContact NH2-O 3.16Å; T850-M859 CarbonylContact C-O 3.58Å; T850-M859 VanDerWaalsContact CA-O 3.29Å; T850-M859 WeakPolarHBondContact CA-O 3.38Å; A851-M859 PolarHBondContact N-O 2.73Å; I852-M859 HydrophobicContact CG2-CB 4Å; I852-M859 HydrophobicContact CG2-CE 3.68Å; I852-M859 PolarHBondContact O-N 2.98Å; F854-M859 HydrophobicContact CB-CE 3.6Å; F854-M859 HydrophobicContact CB-SD 3.93Å; F854-M859 HydrophobicContact CG-CE 4.24Å; F857-M859 HydrophobicContact CD1-CG 4.18Å; M859-E864 HydrophobicContact CE-CB 4.38Å; M859-Q867 HydrophobicContact CE-CB 4.22Å |
| 860 | S | 92.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | trans | -102.2 | 179.4 | 171.7 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | R843 L862 G863 E864 E942 | R843-S860 VanDerWaalsContact NH1-CB 3.31Å; S860-L862 PolarHBondContact O-N 3.13Å; S860-L862 PolarHBondContact OG-N 3.45Å; S860-G863 PolarHBondContact O-N 3.29Å; S860-G863 PolarHBondContact OG-N 2.91Å; S860-E864 VanDerWaalsContact O-CB 3.22Å; S860-E864 WeakPolarHBondContact O-CB 3.4Å; S860-E864 PolarHBondContact O-N 3.11Å; S860-E942 WeakPolarHBondContact CB-OE1 3.19Å; S860-E942 VanDerWaalsContact CB-OE2 3.29Å; S860-E942 WeakPolarHBondContact CB-OE2 3.48Å; S860-E942 PolarHBondContact OG-OE1 2.68Å; S860-E942 PolarHBondContact OG-OE2 3.18Å | ||
| 861 | D | 92.9 | Very high | 89.5 | Confident | 92 Ų | 92 | 54.3 Ų | 54.3 | 49% | 0.492 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.5 | -25.2 | 167.3 | -48.2 | -76.9 | 0 | 0 | 0 | 112.9 | R865 | D861-R865 WeakPolarHBondContact O-CB 3.46Å; D861-R865 WeakPolarHBondContact O-CG 3.25Å; D861-R865 PolarHBondContact O-N 2.88Å; D861-R865 PolarHBondContact O-NE 2.75Å |
| 862 | L | 93.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -77.9 | -51 | 173.6 | -179.5 | 60.4 | 0 | 0 | 0 | 111.1 | S860 E864 R865 V866 F936 E942 | S860-L862 PolarHBondContact O-N 3.13Å; S860-L862 PolarHBondContact OG-N 3.45Å; L862-E864 VanDerWaalsContact C-N 3.28Å; L862-E864 PolarHBondContact O-N 3.04Å; L862-R865 PolarHBondContact O-N 3.22Å; L862-R865 VanDerWaalsContact O-N 3.17Å; L862-V866 HydrophobicContact CD1-CG2 4.23Å; L862-V866 WeakPolarHBondContact O-CG2 3.42Å; L862-V866 PolarHBondContact O-N 3.2Å; L862-F936 HydrophobicContact CD1-CD1 3.91Å; L862-E942 WeakPolarHBondContact CB-OE1 3.12Å |
| 863 | G | 92.3 | Very high | 90 | Very high | 15 Ų | 15 | 61 Ų | 61 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S860 Q867 | S860-G863 PolarHBondContact O-N 3.29Å; S860-G863 PolarHBondContact OG-N 2.91Å; G863-Q867 WeakPolarHBondContact O-CB 3.34Å; G863-Q867 PolarHBondContact O-N 2.84Å |
| 864 | E | 93.2 | Very high | 90.5 | Very high | 33 Ų | 33 | 61.1 Ų | 61.1 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -42 | 174.4 | -174.6 | 174.3 | 149.2 | 0 | 0 | 112.6 | I852 M859 S860 L862 R868 | I852-E864 VanDerWaalsContact CB-OE2 3.29Å; I852-E864 WeakPolarHBondContact CB-OE2 3.03Å; I852-E864 HydrophobicContact CG2-CB 4.06Å; I852-E864 HydrophobicContact CG2-CG 4.04Å; I852-E864 WeakPolarHBondContact CG2-OE2 3.21Å; M859-E864 HydrophobicContact CE-CB 4.38Å; S860-E864 VanDerWaalsContact O-CB 3.22Å; S860-E864 WeakPolarHBondContact O-CB 3.4Å; S860-E864 PolarHBondContact O-N 3.11Å; L862-E864 VanDerWaalsContact C-N 3.28Å; L862-E864 PolarHBondContact O-N 3.04Å; E864-R868 WeakPolarHBondContact O-CB 3.15Å; E864-R868 WeakPolarHBondContact O-CG 3.49Å; E864-R868 PolarHBondContact O-N 2.89Å; E864-R868 IonicContact OE1-CZ 2.67Å; E864-R868 IonicContact OE1-NH1 3.51Å; E864-R868 PolarHBondContact OE1-NH1 2.95Å; E864-R868 IonicContact OE1-NH2 3.33Å; E864-R868 PolarHBondContact OE1-NH2 2.53Å |
| 865 | R | 94.6 | Very high | 91 | Very high | 124 Ų | 124 | 59.7 Ų | 59.7 | 47% | 0.468 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 174.6 | -74.8 | 179.8 | -60.8 | 148 | 4.1 | 112.2 | D861 L862 R868 H869 F936 | D861-R865 WeakPolarHBondContact O-CB 3.46Å; D861-R865 WeakPolarHBondContact O-CG 3.25Å; D861-R865 PolarHBondContact O-N 2.88Å; D861-R865 PolarHBondContact O-NE 2.75Å; L862-R865 PolarHBondContact O-N 3.22Å; L862-R865 VanDerWaalsContact O-N 3.17Å; R865-R868 PolarHBondContact O-N 3.04Å; R865-H869 VanDerWaalsContact O-CB 3.24Å; R865-H869 WeakPolarHBondContact O-CB 3.5Å; R865-H869 PolarHBondContact O-N 2.58Å; R865-F936 HydrophobicContact CB-CE1 3.95Å; R865-F936 HydrophobicContact CB-CZ 4.46Å |
| 866 | V | 94.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | L862 H869 Y870 R898 F936 | L862-V866 HydrophobicContact CD1-CG2 4.23Å; L862-V866 WeakPolarHBondContact O-CG2 3.42Å; L862-V866 PolarHBondContact O-N 3.2Å; V866-H869 PolarHBondContact O-N 2.72Å; V866-Y870 HydrophobicContact CG1-CD2 4.07Å; V866-Y870 HydrophobicContact CG1-CE2 4.45Å; V866-Y870 WeakPolarHBondContact O-CD2 3.25Å; V866-Y870 PolarHBondContact O-N 3.38Å; V866-Y870 VanDerWaalsContact O-N 3.09Å; V866-R898 HydrophobicContact CG1-CG 4.39Å; V866-R898 HydrophobicContact CG2-CG 4.14Å; V866-F936 HydrophobicContact CG2-CB 4.43Å; V866-F936 HydrophobicContact CG2-CD1 3.59Å; V866-F936 HydrophobicContact CG2-CD2 4.22Å; V866-F936 HydrophobicContact CG2-CE1 3.79Å; V866-F936 HydrophobicContact CG2-CE2 4.38Å; V866-F936 HydrophobicContact CG2-CG 3.82Å; V866-F936 HydrophobicContact CG2-CZ 4.18Å |
| 867 | Q | 94.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.9 | -53.5 | 175.9 | -173.5 | 72.4 | 33.2 | 0 | 0 | 111.4 | F854 M859 G863 H869 E871 N894 | F854-Q867 HydrophobicContact CZ-CG 4.43Å; M859-Q867 HydrophobicContact CE-CB 4.22Å; G863-Q867 WeakPolarHBondContact O-CB 3.34Å; G863-Q867 PolarHBondContact O-N 2.84Å; Q867-H869 VanDerWaalsContact C-N 3.28Å; Q867-H869 PolarHBondContact O-N 2.76Å; Q867-E871 PolarHBondContact NE2-OE2 3.1Å; Q867-E871 WeakPolarHBondContact O-CB 3.13Å; Q867-E871 PolarHBondContact O-N 3.27Å; Q867-N894 PolarHBondContact NE2-O 3.03Å |
| 868 | R | 93.7 | Very high | 93 | Very high | 154 Ų | 154 | 58.9 Ų | 58.9 | 58% | 0.581 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.3 | -37.5 | -179 | -77.4 | -169.6 | -177.2 | 118.4 | 12.8 | 112.7 | E864 R865 | E864-R868 WeakPolarHBondContact O-CB 3.15Å; E864-R868 WeakPolarHBondContact O-CG 3.49Å; E864-R868 PolarHBondContact O-N 2.89Å; E864-R868 IonicContact OE1-CZ 2.67Å; E864-R868 IonicContact OE1-NH1 3.51Å; E864-R868 PolarHBondContact OE1-NH1 2.95Å; E864-R868 IonicContact OE1-NH2 3.33Å; E864-R868 PolarHBondContact OE1-NH2 2.53Å; R865-R868 PolarHBondContact O-N 3.04Å |
| 869 | H | 95.5 | Very high | 93.3 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 18% | 0.181 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69 | -50.6 | -178.1 | -172 | 87.9 | 0 | 0 | 0 | 112 | R865 V866 Q867 L872 N875 D933 F936 | R865-H869 VanDerWaalsContact O-CB 3.24Å; R865-H869 WeakPolarHBondContact O-CB 3.5Å; R865-H869 PolarHBondContact O-N 2.58Å; V866-H869 PolarHBondContact O-N 2.72Å; Q867-H869 VanDerWaalsContact C-N 3.28Å; Q867-H869 PolarHBondContact O-N 2.76Å; H869-L872 WeakPolarHBondContact O-CB 3.29Å; H869-L872 PolarHBondContact O-N 2.76Å; H869-N875 PolarHBondContact CE1-ND2 2.88Å; H869-N875 PolarHBondContact ND1-ND2 2.86Å; H869-N875 WeakPolarHBondContact O-CB 3.4Å; H869-N875 PolarHBondContact O-ND2 2.92Å; H869-D933 IonicContact CD2-OD2 3.83Å; H869-D933 IonicContact CE1-OD2 3.17Å; H869-D933 IonicContact NE2-OD2 3.18Å; H869-D933 PolarHBondContact NE2-OD2 2.77Å; H869-F936 HydrophobicContact CB-CE2 3.83Å; H869-F936 HydrophobicContact CB-CZ 3.73Å; H869-F936 AromaticContact CD2-CE2 3.68Å; H869-F936 AromaticContact CG-CE2 3.69Å; H869-F936 AromaticContact CG-CZ 3.94Å |
| 870 | Y | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -83.4 | -10.7 | -176.4 | -72.2 | -82.6 | 0 | 0 | 0 | 114.4 | V866 L872 N875 R876 V889 Y896 S931 C932 D933 F936 | V866-Y870 HydrophobicContact CG1-CD2 4.07Å; V866-Y870 HydrophobicContact CG1-CE2 4.45Å; V866-Y870 WeakPolarHBondContact O-CD2 3.25Å; V866-Y870 PolarHBondContact O-N 3.38Å; V866-Y870 VanDerWaalsContact O-N 3.09Å; Y870-L872 PolarHBondContact O-N 3.21Å; Y870-N875 WeakPolarHBondContact CE1-O 3.42Å; Y870-R876 WeakPolarHBondContact O-CG 3.34Å; Y870-R876 PolarHBondContact O-NE 3.16Å; Y870-V889 HydrophobicContact CD1-CG1 4.39Å; Y870-V889 HydrophobicContact CD2-CG1 4.04Å; Y870-V889 HydrophobicContact CD2-CG2 4.44Å; Y870-V889 HydrophobicContact CE1-CB 4.46Å; Y870-V889 HydrophobicContact CE2-CB 4.35Å; Y870-V889 HydrophobicContact CE2-CG1 4.2Å; Y870-V889 HydrophobicContact CE2-CG2 3.8Å; Y870-V889 HydrophobicContact CG-CG1 4.15Å; Y870-Y896 VanDerWaalsContact CB-CD1 3.47Å; Y870-Y896 VanDerWaalsContact CB-CG 3.44Å; Y870-Y896 HydrophobicContact CG-CD1 4.31Å; Y870-Y896 HydrophobicContact CG-CG 4.48Å; Y870-Y896 WeakPolarHBondContact O-CE2 3.16Å; Y870-Y896 VanDerWaalsContact O-CZ 3.25Å; Y870-Y896 PolarHBondContact O-OH 2.63Å; Y870-S931 PolarHBondContact OH-O 2.84Å; Y870-C932 WeakPolarHBondContact OH-CA 3.17Å; Y870-D933 PolarHBondContact OH-N 2.86Å; Y870-F936 HydrophobicContact CD2-CE2 4.46Å; Y870-F936 AromaticContact CE2-CD2 3.88Å; Y870-F936 HydrophobicContact CE2-CD2 3.88Å; Y870-F936 AromaticContact CE2-CE2 3.81Å; Y870-F936 HydrophobicContact CE2-CE2 3.81Å |
| 871 | E | 94.1 | Very high | 92.9 | Very high | 77 Ų | 77 | 69 Ų | 69 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.7 | -24.1 | 165.7 | -149.4 | 71.5 | -108.5 | 0 | 0 | 111.8 | Q867 R876 K891 Y896 | Q867-E871 PolarHBondContact NE2-OE2 3.1Å; Q867-E871 WeakPolarHBondContact O-CB 3.13Å; Q867-E871 PolarHBondContact O-N 3.27Å; E871-R876 PolarHBondContact O-NH2 3.24Å; E871-R876 IonicContact OE1-NH2 3.56Å; E871-K891 IonicContact OE1-NZ 3.73Å; E871-K891 PolarHBondContact OE1-NZ 3.37Å; E871-Y896 HydrophobicContact CB-CE2 4.48Å |
| 872 | L | 95 | Very high | 92.7 | Very high | 108 Ų | 108 | 65.1 Ų | 65.1 | 57% | 0.565 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -77.6 | 123.6 | 171.1 | -59.5 | 176 | 0 | 0 | 0 | 111 | H869 Y870 A874 N875 | H869-L872 WeakPolarHBondContact O-CB 3.29Å; H869-L872 PolarHBondContact O-N 2.76Å; Y870-L872 PolarHBondContact O-N 3.21Å; L872-A874 VanDerWaalsContact C-N 3.3Å; L872-A874 PolarHBondContact O-N 3.1Å; L872-N875 PolarHBondContact O-N 2.72Å |
| 873 | E | 91.9 | Very high | 92.6 | Very high | 146 Ų | 146 | 67.9 Ų | 67.9 | 68% | 0.682 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -64.3 | -32.9 | -174.5 | -74.3 | -174.4 | 164.5 | 0 | 0 | 114 | N875 R876 | E873-N875 PolarHBondContact O-N 3.2Å; E873-R876 PolarHBondContact O-N 3.1Å; E873-R876 IonicContact OE1-CZ 3.56Å; E873-R876 IonicContact OE1-NH1 3.55Å; E873-R876 PolarHBondContact OE1-NH1 3.26Å; E873-R876 IonicContact OE1-NH2 3.71Å |
| 874 | A | 93.8 | Very high | 92.3 | Very high | 83 Ų | 83 | 70.7 Ų | 70.7 | 69% | 0.686 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -60.7 | -14.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | L872 H877 | L872-A874 VanDerWaalsContact C-N 3.3Å; L872-A874 PolarHBondContact O-N 3.1Å; A874-H877 PolarHBondContact O-CE1 3.45Å; A874-H877 PolarHBondContact O-NE2 2.75Å |
| 875 | N | 93 | Very high | 92 | Very high | 34 Ų | 34 | 71.4 Ų | 71.4 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -101.4 | -7.4 | 177.6 | -63.9 | -27 | 0 | 0 | 0 | 113.2 | H869 Y870 L872 E873 H877 | H869-N875 PolarHBondContact CE1-ND2 2.88Å; H869-N875 PolarHBondContact ND1-ND2 2.86Å; H869-N875 WeakPolarHBondContact O-CB 3.4Å; H869-N875 PolarHBondContact O-ND2 2.92Å; Y870-N875 WeakPolarHBondContact CE1-O 3.42Å; L872-N875 PolarHBondContact O-N 2.72Å; E873-N875 PolarHBondContact O-N 3.2Å; N875-H877 PolarHBondContact O-N 3.03Å; N875-H877 PolarHBondContact O-ND1 2.89Å |
| 876 | R | 93.5 | Very high | 91.8 | Very high | 58 Ų | 58 | 68.7 Ų | 68.7 | 22% | 0.219 | 37% | 0.37 | C | S | . | . | trans | -81.6 | 49.2 | -174.1 | -61.4 | -177.9 | -167.4 | 161.8 | 9.6 | 112.9 | Y870 E871 E873 M878 Y896 Y930 | Y870-R876 WeakPolarHBondContact O-CG 3.34Å; Y870-R876 PolarHBondContact O-NE 3.16Å; E871-R876 PolarHBondContact O-NH2 3.24Å; E871-R876 IonicContact OE1-NH2 3.56Å; E873-R876 PolarHBondContact O-N 3.1Å; E873-R876 IonicContact OE1-CZ 3.56Å; E873-R876 IonicContact OE1-NH1 3.55Å; E873-R876 PolarHBondContact OE1-NH1 3.26Å; E873-R876 IonicContact OE1-NH2 3.71Å; R876-M878 PolarHBondContact O-N 3.2Å; R876-Y896 VanDerWaalsContact CZ-OH 3.25Å; R876-Y896 PolarHBondContact NE-OH 3.18Å; R876-Y930 HydrophobicContact CB-CD1 4.06Å; R876-Y930 HydrophobicContact CB-CE1 3.81Å; R876-Y930 WeakPolarHBondContact O-CD1 3.18Å | ||
| 877 | H | 93.4 | Very high | 91.8 | Very high | 106 Ų | 106 | 70.5 Ų | 70.5 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | trans | -64.4 | 116.2 | 178 | -57.7 | 100.3 | 0 | 0 | 0 | 110.8 | A874 N875 Y930 S931 | A874-H877 PolarHBondContact O-CE1 3.45Å; A874-H877 PolarHBondContact O-NE2 2.75Å; N875-H877 PolarHBondContact O-N 3.03Å; N875-H877 PolarHBondContact O-ND1 2.89Å; H877-Y930 CarbonylContact O-C 3.57Å; H877-Y930 WeakPolarHBondContact O-CA 3.35Å; H877-Y930 WeakPolarHBondContact O-CB 3.26Å; H877-S931 PolarHBondContact O-N 2.95Å | ||
| 878 | M | 92.5 | Very high | 91.9 | Very high | 114 Ų | 114 | 70 Ų | 70 | 56% | 0.562 | 38% | 0.377 | S | S | * | . | B | Isolated β-bridge | trans | -59.4 | 145 | 174 | -82.7 | 174.7 | 47.5 | 0 | 0 | 111.6 | R876 P880 | R876-M878 PolarHBondContact O-N 3.2Å; M878-P880 WeakPolarHBondContact O-CD 3.26Å |
| 879 | H | 90.9 | Very high | 92 | Very high | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | trans | -72.2 | 115.4 | 179.4 | -154.1 | -68.2 | 0 | 0 | 0 | 110.4 | N881 P882 E886 L929 | H879-N881 PolarHBondContact CE1-O 2.97Å; H879-N881 PolarHBondContact ND1-O 3.25Å; H879-N881 PolarHBondContact O-N 3.3Å; H879-P882 HydrophobicContact CB-CG 4.49Å; H879-E886 IonicContact CE1-OE2 3.98Å; H879-E886 PolarHBondContact CE1-OE2 3.24Å; H879-E886 VanDerWaalsContact CE1-OE2 3.29Å; H879-E886 IonicContact NE2-OE1 2.87Å; H879-E886 IonicContact NE2-OE2 3.29Å; H879-L929 HydrophobicContact CB-CB 4.19Å; H879-L929 HydrophobicContact CB-CD2 4.01Å; H879-L929 HydrophobicContact CB-CG 4Å; H879-L929 WeakPolarHBondContact CB-O 3.17Å; H879-L929 PolarHBondContact N-O 2.98Å | ||
| 880 | P | 84.7 | Confident | 92 | Very high | 120 Ų | 120 | 60.9 Ų | 60.9 | 78% | 0.779 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -73.1 | -33.6 | -166.7 | 27.2 | -34.9 | 0 | 0 | 0 | 113.5 | M878 | M878-P880 WeakPolarHBondContact O-CD 3.26Š|
| 881 | N | 88 | Confident | 91.9 | Very high | 115 Ų | 115 | 64.3 Ų | 64.3 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -150.5 | 100.3 | 173 | -176.4 | 19.6 | 0 | 0 | 0 | 108.4 | H879 | H879-N881 PolarHBondContact CE1-O 2.97Å; H879-N881 PolarHBondContact ND1-O 3.25Å; H879-N881 PolarHBondContact O-N 3.3Å |
| 882 | P | 89.1 | Confident | 91.6 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 7% | 0.071 | 34% | 0.344 | C | S | . | . | trans | -65.7 | 135 | 178 | -18.7 | 31.5 | 0 | 0 | 0 | 111.4 | H879 I901 V904 V910 T926 L929 | H879-P882 HydrophobicContact CB-CG 4.49Å; P882-I901 HydrophobicContact CB-CD1 3.87Å; P882-V904 HydrophobicContact CB-CG2 4.27Å; P882-V904 WeakPolarHBondContact O-CG2 3.47Å; P882-V910 HydrophobicContact CB-CG1 3.76Å; P882-V910 HydrophobicContact CG-CG1 4.32Å; P882-T926 HydrophobicContact CG-CG2 3.61Å; P882-L929 HydrophobicContact CB-CD2 3.95Å; P882-L929 HydrophobicContact CG-CD2 3.99Å | ||
| 883 | V | 89.7 | Confident | 91 | Very high | 69 Ų | 69 | 63 Ų | 63 | 42% | 0.418 | 35% | 0.35 | S | S | . | . | trans | -129 | 135.5 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | G885 E886 I901 | V883-G885 PolarHBondContact O-N 2.95Å; V883-E886 PolarHBondContact O-N 2.8Å; V883-E886 VanDerWaalsContact O-N 3.08Å; V883-I901 WeakPolarHBondContact O-CB 3.49Å; V883-I901 WeakPolarHBondContact O-CD1 3.19Å | ||
| 884 | P | 87.9 | Confident | 90.7 | Very high | 74 Ų | 74 | 61.2 Ų | 61.2 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 129.5 | 175.4 | -25.1 | 36 | 0 | 0 | 0 | 111.9 | V904 | P884-V904 HydrophobicContact CG-CG2 4.24Š|
| 885 | G | 86.1 | Confident | 90.5 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | -21.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V883 I901 | V883-G885 PolarHBondContact O-N 2.95Å; G885-I901 PolarHBondContact N-O 3.02Å |
| 886 | E | 91.2 | Very high | 90.6 | Very high | 67 Ų | 67 | 57.1 Ų | 57.1 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | trans | -77 | 147.1 | 177.5 | 178.3 | 159.2 | -151 | 0 | 0 | 112.6 | H879 V883 I901 K937 | H879-E886 IonicContact CE1-OE2 3.98Å; H879-E886 PolarHBondContact CE1-OE2 3.24Å; H879-E886 VanDerWaalsContact CE1-OE2 3.29Å; H879-E886 IonicContact NE2-OE1 2.87Å; H879-E886 IonicContact NE2-OE2 3.29Å; V883-E886 PolarHBondContact O-N 2.8Å; V883-E886 VanDerWaalsContact O-N 3.08Å; E886-I901 HydrophobicContact CB-CD1 4.18Å; E886-I901 PolarHBondContact O-N 2.67Å; E886-K937 IonicContact OE1-NZ 2.86Å; E886-K937 PolarHBondContact OE1-NZ 3.45Å | ||
| 887 | M | 94.3 | Very high | 90.6 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 20% | 0.197 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.5 | 172.2 | -166.8 | -170.5 | -55.9 | 0 | 0 | 111.2 | R898 V899 L915 C932 K937 | M887-R898 HydrophobicContact SD-CB 4.46Å; M887-V899 CarbonylContact C-O 3.54Å; M887-V899 VanDerWaalsContact CA-O 3.26Å; M887-V899 WeakPolarHBondContact CA-O 3.47Å; M887-V899 VanDerWaalsContact CG-O 3.3Å; M887-V899 WeakPolarHBondContact CG-O 3.28Å; M887-L915 HydrophobicContact CE-CD1 4.08Å; M887-L915 HydrophobicContact CG-CD1 3.85Å; M887-L915 HydrophobicContact SD-CD1 4.05Å; M887-C932 HydrophobicContact CG-CB 4.33Å; M887-C932 WeakPolarHBondContact O-CB 3.4Å; M887-K937 HydrophobicContact CB-CG 4.49Å; M887-K937 WeakPolarHBondContact CE-O 3.36Å; M887-K937 VanDerWaalsContact O-CE 3.24Å; M887-K937 WeakPolarHBondContact O-CE 3.39Å; M887-K937 HydrophobicContact SD-CG 4.44Å |
| 888 | A | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | -177 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R898 V899 I901 L929 Y930 | A888-R898 WeakPolarHBondContact O-CA 3.44Å; A888-V899 HydrophobicContact CB-CG2 3.99Å; A888-V899 PolarHBondContact N-O 2.7Å; A888-V899 WeakPolarHBondContact O-CG2 3.49Å; A888-V899 PolarHBondContact O-N 2.73Å; A888-I901 HydrophobicContact CB-CD1 4.35Å; A888-I901 HydrophobicContact CB-CG1 4.45Å; A888-L929 HydrophobicContact CB-CD1 3.55Å; A888-L929 HydrophobicContact CB-CD2 3.96Å; A888-L929 HydrophobicContact CB-CG 3.73Å; A888-Y930 WeakPolarHBondContact CA-O 3.44Å; A888-Y930 WeakPolarHBondContact CB-O 3.34Å |
| 889 | V | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | Y870 Y896 E897 R898 Y930 C932 | Y870-V889 HydrophobicContact CD1-CG1 4.39Å; Y870-V889 HydrophobicContact CD2-CG1 4.04Å; Y870-V889 HydrophobicContact CD2-CG2 4.44Å; Y870-V889 HydrophobicContact CE1-CB 4.46Å; Y870-V889 HydrophobicContact CE2-CB 4.35Å; Y870-V889 HydrophobicContact CE2-CG1 4.2Å; Y870-V889 HydrophobicContact CE2-CG2 3.8Å; Y870-V889 HydrophobicContact CG-CG1 4.15Å; V889-Y896 HydrophobicContact CG1-CD1 4.23Å; V889-E897 WeakPolarHBondContact CA-O 3.34Å; V889-R898 HydrophobicContact CG2-CG 4.34Å; V889-Y930 PolarHBondContact N-O 3.01Å; V889-Y930 PolarHBondContact O-N 3.04Å; V889-C932 HydrophobicContact CG2-CB 4.08Å |
| 890 | V | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 157.6 | 174.7 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | N892 Y896 E897 V899 V912 Y924 L929 | V890-N892 HydrophobicContact CG2-CB 4.44Å; V890-Y896 WeakPolarHBondContact O-CA 3.12Å; V890-E897 PolarHBondContact N-O 3.28Å; V890-E897 PolarHBondContact O-N 3.19Å; V890-V899 HydrophobicContact CG1-CG1 4.44Å; V890-V899 HydrophobicContact CG1-CG2 4.06Å; V890-V899 HydrophobicContact CG2-CG1 3.73Å; V890-V912 HydrophobicContact CG1-CG2 4.44Å; V890-Y924 HydrophobicContact CB-CE1 4.28Å; V890-Y924 HydrophobicContact CB-CE2 4.28Å; V890-Y924 HydrophobicContact CG1-CD1 4.47Å; V890-Y924 HydrophobicContact CG1-CD2 4.03Å; V890-Y924 HydrophobicContact CG1-CE2 4.14Å; V890-Y924 HydrophobicContact CG1-CG 4.2Å; V890-Y924 HydrophobicContact CG2-CE2 3.99Å; V890-L929 HydrophobicContact CG1-CD1 3.5Å; V890-L929 VanDerWaalsContact CG1-CD1 3.5Å |
| 891 | K | 93.3 | Very high | 91.3 | Very high | 72 Ų | 72 | 40.1 Ų | 40.1 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 109.1 | 166.8 | -160.4 | 173.5 | -158.8 | 152.3 | 0 | 110.1 | E871 R895 Y896 | E871-K891 IonicContact OE1-NZ 3.73Å; E871-K891 PolarHBondContact OE1-NZ 3.37Å; K891-R895 CarbonylContact C-O 3.6Å; K891-R895 WeakPolarHBondContact CA-O 3.13Å; K891-Y896 HydrophobicContact CB-CD1 4.11Å; K891-Y896 HydrophobicContact CB-CE1 3.82Å; K891-Y896 HydrophobicContact CD-CE1 3.98Å; K891-Y896 HydrophobicContact CD-CE2 4.04Å; K891-Y896 WeakPolarHBondContact CD-OH 3.38Å; K891-Y896 WeakPolarHBondContact CE-OH 3.47Å; K891-Y896 HydrophobicContact CG-CD1 4.28Å; K891-Y896 HydrophobicContact CG-CE1 3.94Å; K891-Y896 HydrophobicContact CG-CE2 4.33Å; K891-Y896 PolarHBondContact NZ-OH 3.14Å |
| 892 | N | 87.9 | Confident | 91.4 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 110.9 | -175.3 | -176.7 | 20.2 | 0 | 0 | 0 | 111.5 | V890 N894 R895 E897 Y924 | V890-N892 HydrophobicContact CG2-CB 4.44Å; N892-N894 PolarHBondContact O-N 3.11Å; N892-R895 PolarHBondContact N-O 3.25Å; N892-R895 PolarHBondContact O-N 2.86Å; N892-R895 VanDerWaalsContact O-N 3.13Å; N892-R895 PolarHBondContact O-NH2 3.19Å; N892-E897 VanDerWaalsContact CB-OE2 3.22Å; N892-E897 WeakPolarHBondContact CB-OE2 3.29Å; N892-E897 PolarHBondContact ND2-OE2 3.46Å; N892-Y924 WeakPolarHBondContact CB-OH 3.14Å; N892-Y924 VanDerWaalsContact CG-OH 3.29Å; N892-Y924 PolarHBondContact OD1-OH 2.96Å |
| 893 | I | 82.6 | Confident | 91.3 | Very high | 135 Ų | 135 | 38.4 Ų | 38.4 | 69% | 0.692 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 61.2 | -175.8 | -47.9 | 173.7 | 0 | 0 | 0 | 110.3 | R895 | I893-R895 PolarHBondContact O-N 3.49Š|
| 894 | N | 85.7 | Confident | 91 | Very high | 110 Ų | 110 | 38.3 Ų | 38.3 | 59% | 0.588 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 9.7 | -179 | -62.4 | -23.5 | 0 | 0 | 0 | 116.9 | L855 Q867 N892 | L855-N894 HydrophobicContact CD1-CB 3.96Å; Q867-N894 PolarHBondContact NE2-O 3.03Å; N892-N894 PolarHBondContact O-N 3.11Å |
| 895 | R | 90.1 | Very high | 90.6 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 9% | 0.087 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 145.5 | 175.2 | -65.9 | 168 | -58.2 | 109.6 | 34.2 | 111.4 | F854 K891 N892 I893 E897 | F854-R895 HydrophobicContact CD1-CG 3.64Å; F854-R895 HydrophobicContact CE1-CG 3.65Å; K891-R895 CarbonylContact C-O 3.6Å; K891-R895 WeakPolarHBondContact CA-O 3.13Å; N892-R895 PolarHBondContact N-O 3.25Å; N892-R895 PolarHBondContact O-N 2.86Å; N892-R895 VanDerWaalsContact O-N 3.13Å; N892-R895 PolarHBondContact O-NH2 3.19Å; I893-R895 PolarHBondContact O-N 3.49Å; R895-E897 HydrophobicContact CB-CG 4.33Å; R895-E897 IonicContact CZ-OE1 2.81Å; R895-E897 IonicContact NH1-OE1 3.2Å; R895-E897 PolarHBondContact NH1-OE1 3.35Å; R895-E897 VanDerWaalsContact NH2-CD 3.3Å; R895-E897 IonicContact NH2-OE1 3.5Å; R895-E897 PolarHBondContact NH2-OE1 3.03Å; R895-E897 IonicContact NH2-OE2 2.69Å |
| 896 | Y | 94 | Very high | 89.6 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121 | 171.1 | -70 | -82 | 0 | 0 | 0 | 109.6 | Y870 E871 R876 V889 V890 K891 Y930 | Y870-Y896 VanDerWaalsContact CB-CD1 3.47Å; Y870-Y896 VanDerWaalsContact CB-CG 3.44Å; Y870-Y896 HydrophobicContact CG-CD1 4.31Å; Y870-Y896 HydrophobicContact CG-CG 4.48Å; Y870-Y896 WeakPolarHBondContact O-CE2 3.16Å; Y870-Y896 VanDerWaalsContact O-CZ 3.25Å; Y870-Y896 PolarHBondContact O-OH 2.63Å; E871-Y896 HydrophobicContact CB-CE2 4.48Å; R876-Y896 VanDerWaalsContact CZ-OH 3.25Å; R876-Y896 PolarHBondContact NE-OH 3.18Å; V889-Y896 HydrophobicContact CG1-CD1 4.23Å; V890-Y896 WeakPolarHBondContact O-CA 3.12Å; K891-Y896 HydrophobicContact CB-CD1 4.11Å; K891-Y896 HydrophobicContact CB-CE1 3.82Å; K891-Y896 HydrophobicContact CD-CE1 3.98Å; K891-Y896 HydrophobicContact CD-CE2 4.04Å; K891-Y896 WeakPolarHBondContact CD-OH 3.38Å; K891-Y896 WeakPolarHBondContact CE-OH 3.47Å; K891-Y896 HydrophobicContact CG-CD1 4.28Å; K891-Y896 HydrophobicContact CG-CE1 3.94Å; K891-Y896 HydrophobicContact CG-CE2 4.33Å; K891-Y896 PolarHBondContact NZ-OH 3.14Å; Y896-Y930 HydrophobicContact CD1-CE2 4.37Å; Y896-Y930 HydrophobicContact CE1-CD2 4.31Å; Y896-Y930 AromaticContact CE1-CE2 3.81Å; Y896-Y930 HydrophobicContact CE1-CE2 3.81Å |
| 897 | E | 93.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.5 | -172.3 | -61.1 | -175.2 | 137.2 | 0 | 0 | 110.6 | V889 V890 N892 R895 L914 T917 | V889-E897 WeakPolarHBondContact CA-O 3.34Å; V890-E897 PolarHBondContact N-O 3.28Å; V890-E897 PolarHBondContact O-N 3.19Å; N892-E897 VanDerWaalsContact CB-OE2 3.22Å; N892-E897 WeakPolarHBondContact CB-OE2 3.29Å; N892-E897 PolarHBondContact ND2-OE2 3.46Å; R895-E897 HydrophobicContact CB-CG 4.33Å; R895-E897 IonicContact CZ-OE1 2.81Å; R895-E897 IonicContact NH1-OE1 3.2Å; R895-E897 PolarHBondContact NH1-OE1 3.35Å; R895-E897 VanDerWaalsContact NH2-CD 3.3Å; R895-E897 IonicContact NH2-OE1 3.5Å; R895-E897 PolarHBondContact NH2-OE1 3.03Å; R895-E897 IonicContact NH2-OE2 2.69Å; E897-L914 HydrophobicContact CB-CD2 3.73Å; E897-L914 HydrophobicContact CG-CD2 4.44Å; E897-L914 WeakPolarHBondContact OE2-CD2 3.3Å; E897-T917 HydrophobicContact CG-CG2 4.33Å; E897-T917 WeakPolarHBondContact OE1-CB 3.05Å; E897-T917 WeakPolarHBondContact OE1-CG2 3.22Å; E897-T917 PolarHBondContact OE1-OG1 3.01Å |
| 898 | R | 95.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 138.9 | 173.4 | -56.6 | -174.4 | -55.5 | 150.7 | 6.1 | 109.9 | V866 M887 A888 V889 L915 D916 F936 S939 P940 | V866-R898 HydrophobicContact CG1-CG 4.39Å; V866-R898 HydrophobicContact CG2-CG 4.14Å; M887-R898 HydrophobicContact SD-CB 4.46Å; A888-R898 WeakPolarHBondContact O-CA 3.44Å; V889-R898 HydrophobicContact CG2-CG 4.34Å; R898-L915 HydrophobicContact CB-CB 4.44Å; R898-L915 HydrophobicContact CB-CD1 4.19Å; R898-L915 WeakPolarHBondContact O-CB 3.48Å; R898-L915 PolarHBondContact O-N 3.35Å; R898-L915 VanDerWaalsContact O-N 3.1Å; R898-D916 IonicContact CZ-OD1 3.78Å; R898-D916 IonicContact CZ-OD2 3.33Å; R898-D916 IonicContact NE-OD1 2.72Å; R898-D916 IonicContact NE-OD2 3.25Å; R898-D916 PolarHBondContact NE-OD2 3.04Å; R898-D916 IonicContact NH2-OD1 3.96Å; R898-D916 PolarHBondContact NH2-OD1 2.82Å; R898-D916 IonicContact NH2-OD2 2.86Å; R898-D916 PolarHBondContact NH2-OD2 3.43Å; R898-F936 PolarHBondContact NH1-O 2.8Å; R898-S939 PolarHBondContact NH1-O 2.83Å; R898-P940 PolarHBondContact NH2-O 2.8Å |
| 899 | V | 95.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 155.8 | -179.7 | -70.7 | 0 | 0 | 0 | 0 | 111.6 | M887 A888 V890 V912 Q913 L914 L929 | M887-V899 CarbonylContact C-O 3.54Å; M887-V899 VanDerWaalsContact CA-O 3.26Å; M887-V899 WeakPolarHBondContact CA-O 3.47Å; M887-V899 VanDerWaalsContact CG-O 3.3Å; M887-V899 WeakPolarHBondContact CG-O 3.28Å; A888-V899 HydrophobicContact CB-CG2 3.99Å; A888-V899 PolarHBondContact N-O 2.7Å; A888-V899 WeakPolarHBondContact O-CG2 3.49Å; A888-V899 PolarHBondContact O-N 2.73Å; V890-V899 HydrophobicContact CG1-CG1 4.44Å; V890-V899 HydrophobicContact CG1-CG2 4.06Å; V890-V899 HydrophobicContact CG2-CG1 3.73Å; V899-V912 HydrophobicContact CB-CB 3.86Å; V899-V912 HydrophobicContact CB-CG2 3.84Å; V899-V912 HydrophobicContact CG1-CB 4.21Å; V899-V912 HydrophobicContact CG1-CG2 3.63Å; V899-V912 HydrophobicContact CG2-CB 4.05Å; V899-V912 HydrophobicContact CG2-CG1 4.43Å; V899-V912 HydrophobicContact CG2-CG2 4.08Å; V899-Q913 CarbonylContact C-O 3.48Å; V899-Q913 WeakPolarHBondContact CA-O 3.43Å; V899-Q913 WeakPolarHBondContact CB-O 3.33Å; V899-L914 HydrophobicContact CG1-CD2 3.72Å; V899-L914 HydrophobicContact CG1-CG 4.49Å; V899-L929 HydrophobicContact CG2-CD1 3.86Å |
| 900 | H | 93.4 | Very high | 86.9 | Confident | 41 Ų | 41 | 47.5 Ų | 47.5 | 19% | 0.19 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.5 | 168.7 | 173.6 | -57 | 0 | 0 | 0 | 108.5 | V902 V912 Q913 L915 | H900-V902 PolarHBondContact O-N 2.77Å; H900-V912 WeakPolarHBondContact O-CA 3.37Å; H900-Q913 PolarHBondContact N-O 2.9Å; H900-Q913 PolarHBondContact O-N 3.46Å; H900-L915 HydrophobicContact CB-CD1 4.34Å; H900-L915 HydrophobicContact CB-CD2 3.95Å; H900-L915 HydrophobicContact CB-CG 4.39Å |
| 901 | I | 92.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 124.7 | 179.1 | -58.1 | 159.3 | 0 | 0 | 0 | 108.4 | P882 V883 G885 E886 A888 V904 V910 V912 L929 | P882-I901 HydrophobicContact CB-CD1 3.87Å; V883-I901 WeakPolarHBondContact O-CB 3.49Å; V883-I901 WeakPolarHBondContact O-CD1 3.19Å; G885-I901 PolarHBondContact N-O 3.02Å; E886-I901 HydrophobicContact CB-CD1 4.18Å; E886-I901 PolarHBondContact O-N 2.67Å; A888-I901 HydrophobicContact CB-CD1 4.35Å; A888-I901 HydrophobicContact CB-CG1 4.45Å; I901-V904 HydrophobicContact CG2-CG2 4.29Å; I901-V910 HydrophobicContact CG2-CG1 3.99Å; I901-V912 HydrophobicContact CG1-CG1 4.3Å; I901-L929 HydrophobicContact CD1-CD2 4Å; I901-L929 HydrophobicContact CG1-CD2 4.16Å |
| 902 | V | 89.1 | Confident | 86.8 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 32% | 0.315 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -45.5 | -177.6 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | H900 L911 Q913 | H900-V902 PolarHBondContact O-N 2.77Å; V902-L911 HydrophobicContact CB-CD2 4.32Å; V902-L911 HydrophobicContact CB-CG 4.33Å; V902-L911 WeakPolarHBondContact CB-O 3.25Å; V902-L911 HydrophobicContact CG1-CD2 4.2Å; V902-L911 PolarHBondContact N-O 3.09Å; V902-Q913 HydrophobicContact CG2-CB 3.72Å |
| 903 | S | 86.8 | Confident | 87 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 148.2 | 173.9 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | L911 | S903-L911 PolarHBondContact N-O 2.88Å; S903-L911 PolarHBondContact O-N 2.85Å; S903-L911 WeakPolarHBondContact OG-CB 3.35Å |
| 904 | V | 84.8 | Confident | 87.6 | Confident | 67 Ų | 67 | 40.4 Ų | 40.4 | 41% | 0.406 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.1 | 167.2 | -175.5 | 0 | 0 | 0 | 0 | 106.7 | P882 P884 I901 V910 | P882-V904 HydrophobicContact CB-CG2 4.27Å; P882-V904 WeakPolarHBondContact O-CG2 3.47Å; P884-V904 HydrophobicContact CG-CG2 4.24Å; I901-V904 HydrophobicContact CG2-CG2 4.29Å; V904-V910 HydrophobicContact CB-CG1 4.26Å; V904-V910 HydrophobicContact CG1-CG1 4.32Å; V904-V910 HydrophobicContact CG2-CG1 3.8Å |
| 905 | E | 79.4 | Confident | 88 | Confident | 83 Ų | 83 | 35.4 Ų | 35.4 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | trans | -102.5 | 152 | 179.5 | -65.1 | 172.9 | -177.8 | 0 | 0 | 109.3 | N907 M909 | E905-N907 PolarHBondContact O-N 3.36Å; E905-M909 HydrophobicContact CB-CB 4.26Å; E905-M909 PolarHBondContact N-O 2.96Å | ||
| 906 | S | 64.4 | Low | 88.1 | Confident | 121 Ų | 121 | 34.9 Ų | 34.9 | 85% | 0.846 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.3 | -170.6 | 43.8 | 0 | 0 | 0 | 0 | 115.2 | A908 | S906-A908 PolarHBondContact O-N 3.29Š|
| 907 | N | 61.3 | Low | 87.8 | Confident | 105 Ų | 105 | 35.3 Ų | 35.3 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 39.7 | -169 | -61.7 | 48.5 | 0 | 0 | 0 | 111.8 | E905 M909 | E905-N907 PolarHBondContact O-N 3.36Å; N907-M909 PolarHBondContact O-N 3.2Å |
| 908 | A | 79.3 | Confident | 87.7 | Confident | 64 Ų | 64 | 35.2 Ų | 35.2 | 53% | 0.529 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 54.4 | 17.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S906 T926 | S906-A908 PolarHBondContact O-N 3.29Å; A908-T926 WeakPolarHBondContact O-CB 3.23Å; A908-T926 PolarHBondContact O-N 2.91Å; A908-T926 PolarHBondContact O-OG1 2.96Å |
| 909 | M | 89.1 | Confident | 87.4 | Confident | 48 Ų | 48 | 36.2 Ų | 36.2 | 24% | 0.236 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 145.4 | 175.4 | -66.7 | -60 | -72.8 | 0 | 0 | 110.6 | E905 N907 S923 Y924 K925 | E905-M909 HydrophobicContact CB-CB 4.26Å; E905-M909 PolarHBondContact N-O 2.96Å; N907-M909 PolarHBondContact O-N 3.2Å; M909-S923 WeakPolarHBondContact CE-OG 3.39Å; M909-Y924 CarbonylContact C-O 3.59Å; M909-Y924 WeakPolarHBondContact CA-O 3.48Å; M909-K925 HydrophobicContact SD-CB 4.25Å; M909-K925 HydrophobicContact SD-CG 3.44Å; M909-K925 WeakPolarHBondContact SD-CG 3.22Å |
| 910 | V | 90.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 121.9 | 177.8 | -111.5 | 0 | 0 | 0 | 0 | 109.4 | P882 I901 V904 V912 S923 Y924 L929 | P882-V910 HydrophobicContact CB-CG1 3.76Å; P882-V910 HydrophobicContact CG-CG1 4.32Å; I901-V910 HydrophobicContact CG2-CG1 3.99Å; V904-V910 HydrophobicContact CB-CG1 4.26Å; V904-V910 HydrophobicContact CG1-CG1 4.32Å; V904-V910 HydrophobicContact CG2-CG1 3.8Å; V910-V912 HydrophobicContact CB-CG1 4.11Å; V910-S923 WeakPolarHBondContact O-CA 3.44Å; V910-Y924 WeakPolarHBondContact CG2-O 3.35Å; V910-Y924 PolarHBondContact N-O 3.17Å; V910-Y924 PolarHBondContact O-N 3.17Å; V910-L929 HydrophobicContact CG2-CD2 4.22Å |
| 911 | L | 92.3 | Very high | 87 | Confident | 44 Ų | 44 | 40.9 Ų | 40.9 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 119.2 | 171 | -174.1 | 70.2 | 0 | 0 | 0 | 108.4 | V902 S903 C921 | V902-L911 HydrophobicContact CB-CD2 4.32Å; V902-L911 HydrophobicContact CB-CG 4.33Å; V902-L911 WeakPolarHBondContact CB-O 3.25Å; V902-L911 HydrophobicContact CG1-CD2 4.2Å; V902-L911 PolarHBondContact N-O 3.09Å; S903-L911 PolarHBondContact N-O 2.88Å; S903-L911 PolarHBondContact O-N 2.85Å; S903-L911 WeakPolarHBondContact OG-CB 3.35Å; L911-C921 HydrophobicContact CD1-CB 3.9Å; L911-C921 HydrophobicContact CG-CB 4.16Å |
| 912 | V | 93.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.2 | -174.9 | -49.1 | 0 | 0 | 0 | 0 | 110.9 | V890 V899 H900 I901 V910 C921 F922 Y924 L929 | V890-V912 HydrophobicContact CG1-CG2 4.44Å; V899-V912 HydrophobicContact CB-CB 3.86Å; V899-V912 HydrophobicContact CB-CG2 3.84Å; V899-V912 HydrophobicContact CG1-CB 4.21Å; V899-V912 HydrophobicContact CG1-CG2 3.63Å; V899-V912 HydrophobicContact CG2-CB 4.05Å; V899-V912 HydrophobicContact CG2-CG1 4.43Å; V899-V912 HydrophobicContact CG2-CG2 4.08Å; H900-V912 WeakPolarHBondContact O-CA 3.37Å; I901-V912 HydrophobicContact CG1-CG1 4.3Å; V910-V912 HydrophobicContact CB-CG1 4.11Å; V912-C921 CarbonylContact O-C 3.54Å; V912-C921 VanDerWaalsContact O-CA 3.25Å; V912-C921 WeakPolarHBondContact O-CA 3.36Å; V912-F922 PolarHBondContact N-O 3.12Å; V912-F922 PolarHBondContact O-N 3.45Å; V912-Y924 HydrophobicContact CG2-CD2 3.66Å; V912-Y924 HydrophobicContact CG2-CE2 3.91Å; V912-L929 HydrophobicContact CG1-CD1 4.31Å |
| 913 | Q | 93.8 | Very high | 87 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.3 | 175.4 | 170.6 | 166.8 | 74.3 | 0 | 0 | 109.6 | V899 H900 V902 T919 E920 | V899-Q913 CarbonylContact C-O 3.48Å; V899-Q913 WeakPolarHBondContact CA-O 3.43Å; V899-Q913 WeakPolarHBondContact CB-O 3.33Å; H900-Q913 PolarHBondContact N-O 2.9Å; H900-Q913 PolarHBondContact O-N 3.46Å; V902-Q913 HydrophobicContact CG2-CB 3.72Å; Q913-T919 PolarHBondContact NE2-O 3.5Å; Q913-E920 WeakPolarHBondContact CA-O 3.46Å |
| 914 | L | 93.8 | Very high | 87.2 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 147.1 | 170.3 | -72.9 | 175.6 | 0 | 0 | 0 | 111 | E897 V899 S918 E920 F922 | E897-L914 HydrophobicContact CB-CD2 3.73Å; E897-L914 HydrophobicContact CG-CD2 4.44Å; E897-L914 WeakPolarHBondContact OE2-CD2 3.3Å; V899-L914 HydrophobicContact CG1-CD2 3.72Å; V899-L914 HydrophobicContact CG1-CG 4.49Å; L914-S918 CarbonylContact C-O 3.55Å; L914-S918 VanDerWaalsContact C-O 3.24Å; L914-S918 VanDerWaalsContact CB-O 3.24Å; L914-S918 WeakPolarHBondContact CB-O 3.42Å; L914-E920 PolarHBondContact N-O 2.99Å; L914-F922 HydrophobicContact CD1-CD2 3.94Å; L914-F922 HydrophobicContact CD1-CE2 3.56Å; L914-F922 HydrophobicContact CD1-CZ 4.49Å; L914-F922 HydrophobicContact CG-CD2 4.12Å; L914-F922 HydrophobicContact CG-CE2 4.18Å |
| 915 | L | 93.9 | Very high | 87.6 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -110.8 | -29.5 | -176 | -64.8 | 179.4 | 0 | 0 | 0 | 114.9 | M887 R898 H900 R941 E942 A943 | M887-L915 HydrophobicContact CE-CD1 4.08Å; M887-L915 HydrophobicContact CG-CD1 3.85Å; M887-L915 HydrophobicContact SD-CD1 4.05Å; R898-L915 HydrophobicContact CB-CB 4.44Å; R898-L915 HydrophobicContact CB-CD1 4.19Å; R898-L915 WeakPolarHBondContact O-CB 3.48Å; R898-L915 PolarHBondContact O-N 3.35Å; R898-L915 VanDerWaalsContact O-N 3.1Å; H900-L915 HydrophobicContact CB-CD1 4.34Å; H900-L915 HydrophobicContact CB-CD2 3.95Å; H900-L915 HydrophobicContact CB-CG 4.39Å; L915-R941 HydrophobicContact CB-CB 4.18Å; L915-R941 HydrophobicContact CD2-CB 4.31Å; L915-R941 WeakPolarHBondContact O-CB 3.45Å; L915-E942 PolarHBondContact O-N 3.37Å; L915-A943 WeakPolarHBondContact O-CB 3.28Å; L915-A943 PolarHBondContact O-N 3.43Å |
| 916 | D | 92.1 | Very high | 88 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.064 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -120.3 | -16.1 | -165.9 | -58.6 | -41.5 | 0 | 0 | 0 | 114.7 | R898 E942 | R898-D916 IonicContact CZ-OD1 3.78Å; R898-D916 IonicContact CZ-OD2 3.33Å; R898-D916 IonicContact NE-OD1 2.72Å; R898-D916 IonicContact NE-OD2 3.25Å; R898-D916 PolarHBondContact NE-OD2 3.04Å; R898-D916 IonicContact NH2-OD1 3.96Å; R898-D916 PolarHBondContact NH2-OD1 2.82Å; R898-D916 IonicContact NH2-OD2 2.86Å; R898-D916 PolarHBondContact NH2-OD2 3.43Å; D916-E942 HydrophobicContact CB-CB 4.24Å; D916-E942 PolarHBondContact OD1-N 3.14Å; D916-E942 VanDerWaalsContact OD1-N 3.1Å |
| 917 | T | 88.3 | Confident | 89.2 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 10% | 0.104 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -129.9 | -17.4 | -168.9 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | L832 F857 E897 | L832-T917 WeakPolarHBondContact CB-O 3.46Å; F857-T917 HydrophobicContact CE1-CG2 3.57Å; F857-T917 HydrophobicContact CZ-CG2 3.75Å; E897-T917 HydrophobicContact CG-CG2 4.33Å; E897-T917 WeakPolarHBondContact OE1-CB 3.05Å; E897-T917 WeakPolarHBondContact OE1-CG2 3.22Å; E897-T917 PolarHBondContact OE1-OG1 3.01Å |
| 918 | S | 90.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | trans | -161.8 | 162.9 | 174.9 | -173.8 | 0 | 0 | 0 | 0 | 106.7 | Y835 L914 E920 | Y835-S918 PolarHBondContact OH-OG 3.36Å; L914-S918 CarbonylContact C-O 3.55Å; L914-S918 VanDerWaalsContact C-O 3.24Å; L914-S918 VanDerWaalsContact CB-O 3.24Å; L914-S918 WeakPolarHBondContact CB-O 3.42Å; S918-E920 WeakPolarHBondContact OG-CB 3.42Å; S918-E920 PolarHBondContact OG-N 3.49Å; S918-E920 PolarHBondContact OG-OE2 2.88Å | ||
| 919 | T | 90.9 | Very high | 91.4 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 14% | 0.135 | 20% | 0.197 | C | C | . | . | trans | -104.3 | 5.5 | 168.4 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | Y835 A841 Q913 A943 D945 | Y835-T919 PolarHBondContact OH-N 3.06Å; Y835-T919 PolarHBondContact OH-OG1 3.49Å; A841-T919 HydrophobicContact CB-CG2 4.36Å; Q913-T919 PolarHBondContact NE2-O 3.5Å; T919-A943 HydrophobicContact CG2-CB 4.02Å; T919-D945 HydrophobicContact CG2-CB 4.43Å | ||
| 920 | E | 89.6 | Confident | 91.7 | Very high | 78 Ų | 78 | 36.4 Ų | 36.4 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | trans | -67.2 | 156.4 | 176.7 | -78 | 163.2 | 140.3 | 0 | 0 | 113.3 | Y835 Q913 L914 S918 F922 | Y835-E920 HydrophobicContact CD1-CG 4.13Å; Y835-E920 HydrophobicContact CE1-CG 3.46Å; Y835-E920 VanDerWaalsContact CE1-CG 3.46Å; Y835-E920 WeakPolarHBondContact CE1-OE1 3.37Å; Y835-E920 WeakPolarHBondContact CE1-OE2 3.22Å; Q913-E920 WeakPolarHBondContact CA-O 3.46Å; L914-E920 PolarHBondContact N-O 2.99Å; S918-E920 WeakPolarHBondContact OG-CB 3.42Å; S918-E920 PolarHBondContact OG-N 3.49Å; S918-E920 PolarHBondContact OG-OE2 2.88Å; E920-F922 HydrophobicContact CB-CD2 4.3Å; E920-F922 HydrophobicContact CB-CE2 3.49Å; E920-F922 VanDerWaalsContact CB-CE2 3.49Å; E920-F922 HydrophobicContact CB-CZ 3.95Å | ||
| 921 | C | 90.3 | Very high | 91.8 | Very high | 61 Ų | 61 | 37.9 Ų | 37.9 | 41% | 0.412 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 137.2 | 171.4 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | L911 V912 | L911-C921 HydrophobicContact CD1-CB 3.9Å; L911-C921 HydrophobicContact CG-CB 4.16Å; V912-C921 CarbonylContact O-C 3.54Å; V912-C921 VanDerWaalsContact O-CA 3.25Å; V912-C921 WeakPolarHBondContact O-CA 3.36Å |
| 922 | F | 90.5 | Very high | 92 | Very high | 73 Ų | 73 | 36 Ų | 36 | 32% | 0.32 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.7 | 177.7 | -65 | -92.2 | 0 | 0 | 0 | 109.4 | V912 L914 E920 Y924 | V912-F922 PolarHBondContact N-O 3.12Å; V912-F922 PolarHBondContact O-N 3.45Å; L914-F922 HydrophobicContact CD1-CD2 3.94Å; L914-F922 HydrophobicContact CD1-CE2 3.56Å; L914-F922 HydrophobicContact CD1-CZ 4.49Å; L914-F922 HydrophobicContact CG-CD2 4.12Å; L914-F922 HydrophobicContact CG-CE2 4.18Å; E920-F922 HydrophobicContact CB-CD2 4.3Å; E920-F922 HydrophobicContact CB-CE2 3.49Å; E920-F922 VanDerWaalsContact CB-CE2 3.49Å; E920-F922 HydrophobicContact CB-CZ 3.95Å; F922-Y924 HydrophobicContact CB-CD2 4.17Å; F922-Y924 HydrophobicContact CB-CE2 3.6Å |
| 923 | S | 91.8 | Very high | 91.9 | Very high | 57 Ų | 57 | 38 Ų | 38 | 40% | 0.399 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 126.2 | 175.9 | -161.6 | 0 | 0 | 0 | 0 | 109.9 | M909 V910 | M909-S923 WeakPolarHBondContact CE-OG 3.39Å; V910-S923 WeakPolarHBondContact O-CA 3.44Å |
| 924 | Y | 91.8 | Very high | 91.8 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 156.1 | 179.8 | -72.9 | -89.6 | 0 | 0 | 0 | 110.3 | V890 N892 M909 V910 V912 F922 Q928 | V890-Y924 HydrophobicContact CB-CE1 4.28Å; V890-Y924 HydrophobicContact CB-CE2 4.28Å; V890-Y924 HydrophobicContact CG1-CD1 4.47Å; V890-Y924 HydrophobicContact CG1-CD2 4.03Å; V890-Y924 HydrophobicContact CG1-CE2 4.14Å; V890-Y924 HydrophobicContact CG1-CG 4.2Å; V890-Y924 HydrophobicContact CG2-CE2 3.99Å; N892-Y924 WeakPolarHBondContact CB-OH 3.14Å; N892-Y924 VanDerWaalsContact CG-OH 3.29Å; N892-Y924 PolarHBondContact OD1-OH 2.96Å; M909-Y924 CarbonylContact C-O 3.59Å; M909-Y924 WeakPolarHBondContact CA-O 3.48Å; V910-Y924 WeakPolarHBondContact CG2-O 3.35Å; V910-Y924 PolarHBondContact N-O 3.17Å; V910-Y924 PolarHBondContact O-N 3.17Å; V912-Y924 HydrophobicContact CG2-CD2 3.66Å; V912-Y924 HydrophobicContact CG2-CE2 3.91Å; F922-Y924 HydrophobicContact CB-CD2 4.17Å; F922-Y924 HydrophobicContact CB-CE2 3.6Å; Y924-Q928 HydrophobicContact CD1-CB 4.29Å |
| 925 | K | 91.8 | Very high | 91.6 | Very high | 91 Ų | 91 | 49.6 Ų | 49.6 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 145.8 | 166.2 | -71.5 | -166.9 | 174.5 | -134.8 | 0 | 109.3 | E154 M909 S927 Q928 | E154-K925 IonicContact OE1-NZ 2.67Å; E154-K925 PolarHBondContact OE1-NZ 2.92Å; M909-K925 HydrophobicContact SD-CB 4.25Å; M909-K925 HydrophobicContact SD-CG 3.44Å; M909-K925 WeakPolarHBondContact SD-CG 3.22Å; K925-S927 PolarHBondContact O-N 3.28Å; K925-S927 VanDerWaalsContact O-N 3.13Å; K925-Q928 HydrophobicContact CB-CG 4.27Å; K925-Q928 WeakPolarHBondContact O-CB 3.41Å; K925-Q928 PolarHBondContact O-N 3.17Å |
| 926 | T | 89.2 | Confident | 91.6 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -54.7 | -33 | 177.4 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | P882 A908 Q928 L929 | P882-T926 HydrophobicContact CG-CG2 3.61Å; A908-T926 WeakPolarHBondContact O-CB 3.23Å; A908-T926 PolarHBondContact O-N 2.91Å; A908-T926 PolarHBondContact O-OG1 2.96Å; T926-Q928 PolarHBondContact O-N 2.87Å; T926-L929 WeakPolarHBondContact O-CB 3.35Å; T926-L929 PolarHBondContact O-N 3.35Å; T926-L929 VanDerWaalsContact O-N 3.16Å |
| 927 | S | 89.3 | Confident | 91.4 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 50% | 0.503 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -68.4 | -11.6 | 174.7 | 53.2 | 0 | 0 | 0 | 0 | 115.5 | K925 | K925-S927 PolarHBondContact O-N 3.28Å; K925-S927 VanDerWaalsContact O-N 3.13Å |
| 928 | Q | 91.4 | Very high | 91.4 | Very high | 94 Ų | 94 | 58.7 Ų | 58.7 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -97.2 | -1 | 175.2 | -59.6 | 171.8 | -45.5 | 0 | 0 | 112.3 | Y924 K925 T926 | Y924-Q928 HydrophobicContact CD1-CB 4.29Å; K925-Q928 HydrophobicContact CB-CG 4.27Å; K925-Q928 WeakPolarHBondContact O-CB 3.41Å; K925-Q928 PolarHBondContact O-N 3.17Å; T926-Q928 PolarHBondContact O-N 2.87Å |
| 929 | L | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 126 | -178.6 | -165 | 67.9 | 0 | 0 | 0 | 110.3 | H879 P882 A888 V890 V899 I901 V910 V912 T926 | H879-L929 HydrophobicContact CB-CB 4.19Å; H879-L929 HydrophobicContact CB-CD2 4.01Å; H879-L929 HydrophobicContact CB-CG 4Å; H879-L929 WeakPolarHBondContact CB-O 3.17Å; H879-L929 PolarHBondContact N-O 2.98Å; P882-L929 HydrophobicContact CB-CD2 3.95Å; P882-L929 HydrophobicContact CG-CD2 3.99Å; A888-L929 HydrophobicContact CB-CD1 3.55Å; A888-L929 HydrophobicContact CB-CD2 3.96Å; A888-L929 HydrophobicContact CB-CG 3.73Å; V890-L929 HydrophobicContact CG1-CD1 3.5Å; V890-L929 VanDerWaalsContact CG1-CD1 3.5Å; V899-L929 HydrophobicContact CG2-CD1 3.86Å; I901-L929 HydrophobicContact CD1-CD2 4Å; I901-L929 HydrophobicContact CG1-CD2 4.16Å; V910-L929 HydrophobicContact CG2-CD2 4.22Å; V912-L929 HydrophobicContact CG1-CD1 4.31Å; T926-L929 WeakPolarHBondContact O-CB 3.35Å; T926-L929 PolarHBondContact O-N 3.35Å; T926-L929 VanDerWaalsContact O-N 3.16Å |
| 930 | Y | 95.4 | Very high | 91.4 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 15% | 0.153 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 148.4 | 176.2 | -53.4 | -67.7 | 0 | 0 | 0 | 111.2 | R876 H877 A888 V889 Y896 C932 | R876-Y930 HydrophobicContact CB-CD1 4.06Å; R876-Y930 HydrophobicContact CB-CE1 3.81Å; R876-Y930 WeakPolarHBondContact O-CD1 3.18Å; H877-Y930 CarbonylContact O-C 3.57Å; H877-Y930 WeakPolarHBondContact O-CA 3.35Å; H877-Y930 WeakPolarHBondContact O-CB 3.26Å; A888-Y930 WeakPolarHBondContact CA-O 3.44Å; A888-Y930 WeakPolarHBondContact CB-O 3.34Å; V889-Y930 PolarHBondContact N-O 3.01Å; V889-Y930 PolarHBondContact O-N 3.04Å; Y896-Y930 HydrophobicContact CD1-CE2 4.37Å; Y896-Y930 HydrophobicContact CE1-CD2 4.31Å; Y896-Y930 AromaticContact CE1-CE2 3.81Å; Y896-Y930 HydrophobicContact CE1-CE2 3.81Å; Y930-C932 PolarHBondContact O-N 2.71Å |
| 931 | S | 94.3 | Very high | 91.5 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 21% | 0.21 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 128.7 | 170 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | Y870 H877 D933 | Y870-S931 PolarHBondContact OH-O 2.84Å; H877-S931 PolarHBondContact O-N 2.95Å; S931-D933 PolarHBondContact O-N 2.92Å |
| 932 | C | 94.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 118.4 | 172.7 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | Y870 M887 V889 Y930 K937 | Y870-C932 WeakPolarHBondContact OH-CA 3.17Å; M887-C932 HydrophobicContact CG-CB 4.33Å; M887-C932 WeakPolarHBondContact O-CB 3.4Å; V889-C932 HydrophobicContact CG2-CB 4.08Å; Y930-C932 PolarHBondContact O-N 2.71Å; C932-K937 HydrophobicContact CB-CG 4.03Å; C932-K937 WeakPolarHBondContact O-CD 3.4Å; C932-K937 WeakPolarHBondContact O-CE 3.42Å |
| 933 | D | 92.9 | Very high | 91.9 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 149 | 179.8 | -76.5 | -16.4 | 0 | 0 | 0 | 111.4 | H869 Y870 S931 I935 F936 K937 | H869-D933 IonicContact CD2-OD2 3.83Å; H869-D933 IonicContact CE1-OD2 3.17Å; H869-D933 IonicContact NE2-OD2 3.18Å; H869-D933 PolarHBondContact NE2-OD2 2.77Å; Y870-D933 PolarHBondContact OH-N 2.86Å; S931-D933 PolarHBondContact O-N 2.92Å; D933-I935 HydrophobicContact CB-CG1 4.13Å; D933-I935 PolarHBondContact O-N 2.84Å; D933-I935 VanDerWaalsContact O-N 3.12Å; D933-F936 HydrophobicContact CB-CD2 4.34Å; D933-F936 PolarHBondContact O-N 3.4Å; D933-K937 PolarHBondContact O-N 2.82Å |
| 934 | K | 90 | Very high | 92.1 | Very high | 175 Ų | 175 | 50.6 Ų | 50.6 | 76% | 0.761 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -53.7 | -38.4 | -172.6 | -65.8 | -175.6 | 178.6 | -178.8 | 0 | 112.9 | F936 K937 | K934-F936 PolarHBondContact O-N 2.84Å; K934-K937 PolarHBondContact O-N 2.9Å |
| 935 | I | 90.3 | Very high | 92.2 | Very high | 104 Ų | 104 | 50.1 Ų | 50.1 | 53% | 0.533 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.9 | -16.1 | 177 | 62.1 | 173.2 | 0 | 0 | 0 | 114.7 | D933 | D933-I935 HydrophobicContact CB-CG1 4.13Å; D933-I935 PolarHBondContact O-N 2.84Å; D933-I935 VanDerWaalsContact O-N 3.12Å |
| 936 | F | 93.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -115 | -15.2 | 177.5 | -55.7 | -52.7 | 0 | 0 | 0 | 113.9 | L862 R865 V866 H869 Y870 R898 D933 K934 | L862-F936 HydrophobicContact CD1-CD1 3.91Å; R865-F936 HydrophobicContact CB-CE1 3.95Å; R865-F936 HydrophobicContact CB-CZ 4.46Å; V866-F936 HydrophobicContact CG2-CB 4.43Å; V866-F936 HydrophobicContact CG2-CD1 3.59Å; V866-F936 HydrophobicContact CG2-CD2 4.22Å; V866-F936 HydrophobicContact CG2-CE1 3.79Å; V866-F936 HydrophobicContact CG2-CE2 4.38Å; V866-F936 HydrophobicContact CG2-CG 3.82Å; V866-F936 HydrophobicContact CG2-CZ 4.18Å; H869-F936 HydrophobicContact CB-CE2 3.83Å; H869-F936 HydrophobicContact CB-CZ 3.73Å; H869-F936 AromaticContact CD2-CE2 3.68Å; H869-F936 AromaticContact CG-CE2 3.69Å; H869-F936 AromaticContact CG-CZ 3.94Å; Y870-F936 HydrophobicContact CD2-CE2 4.46Å; Y870-F936 AromaticContact CE2-CD2 3.88Å; Y870-F936 HydrophobicContact CE2-CD2 3.88Å; Y870-F936 AromaticContact CE2-CE2 3.81Å; Y870-F936 HydrophobicContact CE2-CE2 3.81Å; R898-F936 PolarHBondContact NH1-O 2.8Å; D933-F936 HydrophobicContact CB-CD2 4.34Å; D933-F936 PolarHBondContact O-N 3.4Å; K934-F936 PolarHBondContact O-N 2.84Å |
| 937 | K | 88.9 | Confident | 92.8 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 30% | 0.304 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.4 | -34 | 179.4 | -79.2 | -174.6 | 161.7 | 173.5 | 0 | 112.7 | E886 M887 C932 D933 K934 S939 | E886-K937 IonicContact OE1-NZ 2.86Å; E886-K937 PolarHBondContact OE1-NZ 3.45Å; M887-K937 HydrophobicContact CB-CG 4.49Å; M887-K937 WeakPolarHBondContact CE-O 3.36Å; M887-K937 VanDerWaalsContact O-CE 3.24Å; M887-K937 WeakPolarHBondContact O-CE 3.39Å; M887-K937 HydrophobicContact SD-CG 4.44Å; C932-K937 HydrophobicContact CB-CG 4.03Å; C932-K937 WeakPolarHBondContact O-CD 3.4Å; C932-K937 WeakPolarHBondContact O-CE 3.42Å; D933-K937 PolarHBondContact O-N 2.82Å; K934-K937 PolarHBondContact O-N 2.9Å; K937-S939 VanDerWaalsContact C-N 3.31Å; K937-S939 PolarHBondContact O-N 2.84Å |
| 938 | D | 87.2 | Confident | 93.2 | Very high | 150 Ų | 150 | 43.4 Ų | 43.4 | 80% | 0.802 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.4 | -177.6 | -57.3 | -27.5 | 0 | 0 | 0 | 113.8 | ||
| 939 | S | 90 | Very high | 93.4 | Very high | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -82.7 | 137.2 | -178.7 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | R898 K937 | R898-S939 PolarHBondContact NH1-O 2.83Å; K937-S939 VanDerWaalsContact C-N 3.31Å; K937-S939 PolarHBondContact O-N 2.84Å |
| 940 | P | 92.1 | Very high | 93.3 | Very high | 56 Ų | 56 | 40 Ų | 40 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -62.8 | 166.2 | 177.8 | 28.7 | -36.5 | 0 | 0 | 0 | 112.1 | F848 R898 | F848-P940 HydrophobicContact CE1-CG 3.92Å; F848-P940 HydrophobicContact CZ-CB 4.47Å; F848-P940 HydrophobicContact CZ-CG 4Å; R898-P940 PolarHBondContact NH2-O 2.8Å |
| 941 | R | 92.7 | Very high | 93.3 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -78 | 139.6 | 175 | 65.4 | 178.2 | 67.7 | -143.8 | -1.8 | 110.3 | Y821 L915 | Y821-R941 HydrophobicContact CE2-CG 4.36Å; L915-R941 HydrophobicContact CB-CB 4.18Å; L915-R941 HydrophobicContact CD2-CB 4.31Å; L915-R941 WeakPolarHBondContact O-CB 3.45Å |
| 942 | E | 93.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | trans | -93.7 | -26.2 | 179.7 | -60.1 | -168.6 | -179.1 | 0 | 0 | 114.3 | R843 F848 S860 L862 L915 D916 | R843-E942 WeakPolarHBondContact CD-OE2 3.12Å; R843-E942 HydrophobicContact CG-CB 4.21Å; R843-E942 IonicContact CZ-OE2 3.67Å; R843-E942 IonicContact NE-OE2 2.67Å; R843-E942 IonicContact NH1-OE2 2.77Å; R843-E942 PolarHBondContact NH1-OE2 2.85Å; F848-E942 HydrophobicContact CB-CG 4.22Å; F848-E942 HydrophobicContact CD1-CG 3.8Å; F848-E942 HydrophobicContact CD2-CB 4.41Å; F848-E942 HydrophobicContact CD2-CG 4.39Å; F848-E942 HydrophobicContact CE1-CG 4.27Å; F848-E942 HydrophobicContact CG-CB 4.28Å; F848-E942 HydrophobicContact CG-CG 3.87Å; S860-E942 WeakPolarHBondContact CB-OE1 3.19Å; S860-E942 VanDerWaalsContact CB-OE2 3.29Å; S860-E942 WeakPolarHBondContact CB-OE2 3.48Å; S860-E942 PolarHBondContact OG-OE1 2.68Å; S860-E942 PolarHBondContact OG-OE2 3.18Å; L862-E942 WeakPolarHBondContact CB-OE1 3.12Å; L915-E942 PolarHBondContact O-N 3.37Å; D916-E942 HydrophobicContact CB-CB 4.24Å; D916-E942 PolarHBondContact OD1-N 3.14Å; D916-E942 VanDerWaalsContact OD1-N 3.1Å | ||
| 943 | A | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | trans | -86.5 | 126.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | L832 L915 T919 | L832-A943 HydrophobicContact CD1-CB 3.85Å; L915-A943 WeakPolarHBondContact O-CB 3.28Å; L915-A943 PolarHBondContact O-N 3.43Å; T919-A943 HydrophobicContact CG2-CB 4.02Å | ||
| 944 | M | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.8 | 178 | -55.4 | -175.8 | 174.6 | 0 | 0 | 109.8 | Y821 A841 V842 L844 F848 I996 | Y821-M944 HydrophobicContact CD1-SD 4.3Å; Y821-M944 HydrophobicContact CD2-CE 3.8Å; Y821-M944 HydrophobicContact CD2-SD 4.18Å; Y821-M944 HydrophobicContact CE1-CB 4Å; Y821-M944 HydrophobicContact CE1-CG 4.01Å; Y821-M944 HydrophobicContact CE1-SD 4.27Å; Y821-M944 HydrophobicContact CE2-CE 3.88Å; Y821-M944 HydrophobicContact CE2-CG 3.91Å; Y821-M944 HydrophobicContact CE2-SD 4.15Å; Y821-M944 HydrophobicContact CG-CE 4.35Å; Y821-M944 HydrophobicContact CG-SD 4.25Å; A841-M944 WeakPolarHBondContact CA-O 3.43Å; V842-M944 HydrophobicContact CG2-CB 4.27Å; V842-M944 PolarHBondContact N-O 3.48Å; V842-M944 PolarHBondContact O-N 3.48Å; L844-M944 HydrophobicContact CD1-CE 3.78Å; L844-M944 HydrophobicContact CD1-SD 3.57Å; L844-M944 VanDerWaalsContact CD1-SD 3.57Å; L844-M944 HydrophobicContact CD2-SD 4.38Å; L844-M944 HydrophobicContact CG-CE 4.21Å; L844-M944 HydrophobicContact CG-SD 3.72Å; F848-M944 HydrophobicContact CE2-CE 4.04Å; M944-I996 HydrophobicContact CB-CD1 4.03Å; M944-I996 HydrophobicContact CG-CD1 4.46Å; M944-I996 HydrophobicContact SD-CD1 3.65Å |
| 945 | D | 95.6 | Very high | 92 | Very high | 14 Ų | 14 | 31 Ų | 31 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 121.2 | 171.6 | -179.3 | 6.9 | 0 | 0 | 0 | 108.7 | T919 R947 T995 I996 | T919-D945 HydrophobicContact CG2-CB 4.43Å; D945-R947 VanDerWaalsContact CG-NE 3.32Å; D945-R947 WeakPolarHBondContact OD1-CG 3.46Å; D945-R947 IonicContact OD1-CZ 2.78Å; D945-R947 IonicContact OD1-NE 2.69Å; D945-R947 PolarHBondContact OD1-NE 2.92Å; D945-R947 IonicContact OD1-NH2 3.05Å; D945-R947 IonicContact OD2-CZ 2.67Å; D945-R947 IonicContact OD2-NE 3.68Å; D945-R947 PolarHBondContact OD2-NE 2.91Å; D945-R947 IonicContact OD2-NH2 2.77Å; D945-R947 PolarHBondContact OD2-NH2 3.28Å; D945-T995 CarbonylContact O-C 3.43Å; D945-T995 WeakPolarHBondContact O-CA 3.5Å; D945-I996 PolarHBondContact O-N 2.82Å |
| 946 | L | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.6 | -179.6 | -177.8 | 153.3 | 0 | 0 | 0 | 109.8 | I827 F829 L840 V842 I996 V998 I1001 | I827-L946 HydrophobicContact CD1-CD1 3.66Å; F829-L946 HydrophobicContact CD1-CD1 4.26Å; F829-L946 HydrophobicContact CE1-CD1 3.88Å; F829-L946 HydrophobicContact CE2-CD1 4.48Å; F829-L946 HydrophobicContact CZ-CD1 3.99Å; F829-L946 HydrophobicContact CZ-CD2 4.37Å; L840-L946 HydrophobicContact CD1-CD2 4.48Å; L840-L946 PolarHBondContact N-O 2.87Å; L840-L946 PolarHBondContact O-N 2.69Å; V842-L946 HydrophobicContact CG1-CB 3.99Å; V842-L946 HydrophobicContact CG1-CD1 4.41Å; V842-L946 HydrophobicContact CG2-CB 3.67Å; V842-L946 HydrophobicContact CG2-CD1 3.92Å; V842-L946 HydrophobicContact CG2-CG 4.42Å; L946-I996 WeakPolarHBondContact CA-O 3.36Å; L946-I996 HydrophobicContact CD1-CG2 4.43Å; L946-V998 HydrophobicContact CD1-CG1 4.22Å; L946-V998 HydrophobicContact CD2-CG2 3.84Å; L946-V998 HydrophobicContact CG-CG1 4.32Å; L946-V998 HydrophobicContact CG-CG2 4.42Å; L946-I1001 HydrophobicContact CD2-CD1 3.37Å; L946-I1001 HydrophobicContact CD2-CG1 4.01Å |
| 947 | R | 96.3 | Very high | 91.4 | Very high | 50 Ų | 50 | 29.2 Ų | 29.2 | 19% | 0.189 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.4 | -171.3 | -57.9 | -169.5 | -177.3 | -144.7 | 3.3 | 112.9 | A795 A838 A839 D945 L949 T995 I996 F997 V998 | A795-R947 VanDerWaalsContact CB-NH1 3.31Å; A838-R947 VanDerWaalsContact O-CA 3.26Å; A838-R947 WeakPolarHBondContact O-CA 3.03Å; A839-R947 HydrophobicContact CB-CG 4.04Å; D945-R947 VanDerWaalsContact CG-NE 3.32Å; D945-R947 WeakPolarHBondContact OD1-CG 3.46Å; D945-R947 IonicContact OD1-CZ 2.78Å; D945-R947 IonicContact OD1-NE 2.69Å; D945-R947 PolarHBondContact OD1-NE 2.92Å; D945-R947 IonicContact OD1-NH2 3.05Å; D945-R947 IonicContact OD2-CZ 2.67Å; D945-R947 IonicContact OD2-NE 3.68Å; D945-R947 PolarHBondContact OD2-NE 2.91Å; D945-R947 IonicContact OD2-NH2 2.77Å; D945-R947 PolarHBondContact OD2-NH2 3.28Å; R947-L949 PolarHBondContact O-N 3.33Å; R947-T995 HydrophobicContact CB-CG2 4.44Å; R947-T995 HydrophobicContact CG-CG2 3.85Å; R947-I996 PolarHBondContact N-O 2.87Å; R947-F997 HydrophobicContact CB-CD1 4.27Å; R947-F997 HydrophobicContact CB-CE1 4.29Å; R947-V998 PolarHBondContact O-N 2.8Å |
| 948 | I | 96.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.4 | 171.3 | -59.1 | -179.3 | 0 | 0 | 0 | 108.4 | A838 G950 L951 V998 I1001 L1009 L1010 | A838-I948 PolarHBondContact O-N 2.82Å; I948-G950 PolarHBondContact O-N 2.93Å; I948-L951 HydrophobicContact CB-CB 4.06Å; I948-L951 HydrophobicContact CB-CD2 3.98Å; I948-L951 HydrophobicContact CD1-CD2 3.96Å; I948-L951 HydrophobicContact CG2-CB 3.75Å; I948-L951 HydrophobicContact CG2-CD2 3.83Å; I948-L951 HydrophobicContact CG2-CG 4.44Å; I948-L951 PolarHBondContact O-N 2.64Å; I948-V998 WeakPolarHBondContact CA-O 3.32Å; I948-V998 HydrophobicContact CG1-CG2 4.4Å; I948-I1001 HydrophobicContact CD1-CD1 4.38Å; I948-I1001 HydrophobicContact CD1-CG1 4.39Å; I948-I1001 HydrophobicContact CG1-CD1 4.27Å; I948-I1001 HydrophobicContact CG1-CG1 4.31Å; I948-L1009 HydrophobicContact CD1-CD2 4Å; I948-L1009 HydrophobicContact CD1-CG 4.15Å; I948-L1010 HydrophobicContact CG2-CD1 4.21Å |
| 949 | L | 95.4 | Very high | 91.3 | Very high | 23 Ų | 23 | 25.4 Ų | 25.4 | 12% | 0.12 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 125.3 | -174.6 | -178.2 | 68 | 0 | 0 | 0 | 111.9 | R947 L951 F997 V998 C1025 Q1026 L1029 | R947-L949 PolarHBondContact O-N 3.33Å; L949-L951 PolarHBondContact O-N 2.9Å; L949-L951 VanDerWaalsContact O-N 3.14Å; L949-F997 HydrophobicContact CD1-CB 4.44Å; L949-F997 HydrophobicContact CD1-CD1 4.06Å; L949-F997 HydrophobicContact CD1-CG 4.5Å; L949-V998 WeakPolarHBondContact CB-O 3.43Å; L949-V998 PolarHBondContact N-O 2.86Å; L949-C1025 HydrophobicContact CD1-CB 4.01Å; L949-C1025 HydrophobicContact CG-CB 4.32Å; L949-Q1026 HydrophobicContact CD1-CB 4.49Å; L949-Q1026 HydrophobicContact CD2-CB 4.2Å; L949-L1029 HydrophobicContact CD1-CD1 3.81Å |
| 950 | G | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | -7.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | I948 Q952 Q1021 D1022 C1025 | I948-G950 PolarHBondContact O-N 2.93Å; G950-Q952 PolarHBondContact O-N 2.87Å; G950-Q1021 WeakPolarHBondContact O-CA 3.47Å; G950-D1022 PolarHBondContact O-N 3.09Å; G950-C1025 VanDerWaalsContact CA-CB 3.49Å; G950-C1025 PolarHBondContact N-SG 3.29Å |
| 951 | L | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 110.7 | -175.2 | -178.8 | 61.2 | 0 | 0 | 0 | 111.5 | A838 I948 L949 W960 L1010 V1013 I1014 | A838-L951 HydrophobicContact CB-CB 4Å; A838-L951 HydrophobicContact CB-CD2 3.93Å; A838-L951 HydrophobicContact CB-CG 3.91Å; A838-L951 VanDerWaalsContact CB-O 3.25Å; A838-L951 WeakPolarHBondContact CB-O 3.42Å; I948-L951 HydrophobicContact CB-CB 4.06Å; I948-L951 HydrophobicContact CB-CD2 3.98Å; I948-L951 HydrophobicContact CD1-CD2 3.96Å; I948-L951 HydrophobicContact CG2-CB 3.75Å; I948-L951 HydrophobicContact CG2-CD2 3.83Å; I948-L951 HydrophobicContact CG2-CG 4.44Å; I948-L951 PolarHBondContact O-N 2.64Å; L949-L951 PolarHBondContact O-N 2.9Å; L949-L951 VanDerWaalsContact O-N 3.14Å; L951-W960 HydrophobicContact CD1-CH2 4.41Å; L951-W960 HydrophobicContact CD1-CZ2 4.45Å; L951-W960 HydrophobicContact CG-CH2 4.42Å; L951-W960 HydrophobicContact CG-CZ2 4.07Å; L951-L1010 HydrophobicContact CD1-CD1 3.89Å; L951-L1010 HydrophobicContact CD2-CD1 3.88Å; L951-L1010 HydrophobicContact CG-CD1 4.31Å; L951-V1013 HydrophobicContact CD1-CG1 4.41Å; L951-V1013 HydrophobicContact CD2-CG1 4.23Å; L951-I1014 HydrophobicContact CD1-CG1 4.47Å |
| 952 | Q | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 154.4 | -176.9 | 66 | -168.6 | -51.9 | 0 | 0 | 111.2 | R767 F796 G950 R958 S1019 H1020 D1022 | R767-Q952 VanDerWaalsContact NH2-NE2 3.13Å; F796-Q952 HydrophobicContact CE1-CB 3.97Å; F796-Q952 HydrophobicContact CZ-CB 4.15Å; G950-Q952 PolarHBondContact O-N 2.87Å; Q952-R958 HydrophobicContact CB-CG 4.43Å; Q952-S1019 CarbonylContact O-C 3.57Å; Q952-S1019 VanDerWaalsContact O-CA 3.29Å; Q952-S1019 WeakPolarHBondContact O-CA 3.46Å; Q952-S1019 WeakPolarHBondContact O-CB 3.19Å; Q952-H1020 WeakPolarHBondContact CG-O 3.5Å; Q952-H1020 PolarHBondContact N-O 2.85Å; Q952-H1020 PolarHBondContact O-N 3.25Å; Q952-H1020 VanDerWaalsContact O-O 3.12Å; Q952-D1022 PolarHBondContact NE2-OD2 2.95Å |
| 953 | P | 89 | Confident | 89.4 | Confident | 7 Ų | 7 | 27.3 Ų | 27.3 | 5% | 0.045 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 163.6 | 174.2 | 31.9 | -31.7 | 0 | 0 | 0 | 110.7 | S955 I959 W960 R1018 | P953-S955 PolarHBondContact O-N 3.21Å; P953-I959 WeakPolarHBondContact CG-O 3.46Å; P953-W960 HydrophobicContact CB-CD2 3.96Å; P953-W960 HydrophobicContact CB-CE3 4.01Å; P953-W960 HydrophobicContact CB-CG 4.44Å; P953-W960 HydrophobicContact CB-CZ3 4.35Å; P953-W960 HydrophobicContact CG-CD2 4.12Å; P953-W960 HydrophobicContact CG-CG 4.18Å; P953-R1018 WeakPolarHBondContact CA-O 3.39Å |
| 954 | E | 81 | Confident | 89 | Confident | 61 Ų | 61 | 27.2 Ų | 27.2 | 29% | 0.285 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -71.8 | 52.6 | 174.2 | -68.5 | -177.3 | 159.2 | 0 | 0 | 113.1 | M761 R1018 | M761-E954 HydrophobicContact CE-CB 4.02Å; M761-E954 HydrophobicContact CE-CG 4.36Å; E954-R1018 HydrophobicContact CB-CB 4.14Å; E954-R1018 HydrophobicContact CG-CB 4.06Å; E954-R1018 PolarHBondContact N-O 2.92Å; E954-R1018 VanDerWaalsContact OE2-CB 3.27Å; E954-R1018 WeakPolarHBondContact OE2-CB 3.29Å; E954-R1018 WeakPolarHBondContact OE2-CD 3.39Å; E954-R1018 WeakPolarHBondContact OE2-CG 3.43Å |
| 955 | S | 83.5 | Confident | 88.7 | Confident | 34 Ų | 34 | 30.8 Ų | 30.8 | 24% | 0.238 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -143 | 146 | 175.2 | 68.1 | 0 | 0 | 0 | 0 | 112.1 | P953 D957 R958 | P953-S955 PolarHBondContact O-N 3.21Å; S955-D957 VanDerWaalsContact C-N 3.33Å; S955-D957 PolarHBondContact O-N 3.44Å; S955-R958 PolarHBondContact O-N 2.82Å; S955-R958 VanDerWaalsContact O-N 3.16Å; S955-R958 PolarHBondContact OG-N 3.32Å |
| 956 | L | 85.9 | Confident | 88.2 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -33.7 | 178.5 | -63.6 | -169.3 | 0 | 0 | 0 | 113 | W754 C757 D758 M761 L772 Q792 R958 | W754-L956 HydrophobicContact CD2-CD1 3.88Å; W754-L956 HydrophobicContact CG-CD1 4.16Å; W754-L956 HydrophobicContact CZ2-CB 3.9Å; W754-L956 HydrophobicContact CZ2-CD1 3.89Å; C757-L956 HydrophobicContact CB-CD1 3.74Å; C757-L956 HydrophobicContact CB-CD2 4.22Å; D758-L956 HydrophobicContact CB-CD1 3.91Å; M761-L956 HydrophobicContact CG-CD2 3.89Å; L772-L956 HydrophobicContact CD2-CD2 3.67Å; Q792-L956 PolarHBondContact NE2-O 3.47Å; L956-R958 PolarHBondContact O-N 2.89Å |
| 957 | D | 83.3 | Confident | 87.7 | Confident | 69 Ų | 69 | 34.5 Ų | 34.5 | 37% | 0.369 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.8 | 176.4 | -58.4 | -53.7 | 0 | 0 | 0 | 112.3 | Q792 S955 I959 | Q792-D957 VanDerWaalsContact NE2-C 3.28Å; Q792-D957 PolarHBondContact NE2-O 2.71Å; S955-D957 VanDerWaalsContact C-N 3.33Å; S955-D957 PolarHBondContact O-N 3.44Å; D957-I959 HydrophobicContact CB-CD1 4.07Å; D957-I959 HydrophobicContact CB-CG1 4.11Å; D957-I959 PolarHBondContact O-N 3.35Å |
| 958 | R | 88.5 | Confident | 87.4 | Confident | 15 Ų | 15 | 32.1 Ų | 32.1 | 6% | 0.057 | 16% | 0.164 | C | C | . | . | trans | 58 | 26.8 | 179.1 | -65.7 | 157.1 | 150.9 | 173.2 | -8.7 | 113.8 | Q792 F796 D798 Q952 S955 L956 | Q792-R958 VanDerWaalsContact CD-CD 3.48Å; F796-R958 HydrophobicContact CE2-CB 4.18Å; F796-R958 HydrophobicContact CE2-CG 4.37Å; D798-R958 PolarHBondContact O-NH1 2.67Å; D798-R958 IonicContact OD1-CZ 2.77Å; D798-R958 IonicContact OD1-NH1 3.57Å; D798-R958 PolarHBondContact OD1-NH1 3.25Å; D798-R958 IonicContact OD1-NH2 3.49Å; D798-R958 PolarHBondContact OD1-NH2 2.87Å; D798-R958 IonicContact OD2-NH2 2.74Å; Q952-R958 HydrophobicContact CB-CG 4.43Å; S955-R958 PolarHBondContact O-N 2.82Å; S955-R958 VanDerWaalsContact O-N 3.16Å; S955-R958 PolarHBondContact OG-N 3.32Å; L956-R958 PolarHBondContact O-N 2.89Å | ||
| 959 | I | 86.2 | Confident | 87 | Confident | 125 Ų | 125 | 36.7 Ų | 36.7 | 64% | 0.641 | 18% | 0.181 | S | C | * | . | P | Polyproline II helix | trans | -88.3 | 124.1 | 178.1 | -59.7 | 174.1 | 0 | 0 | 0 | 108.7 | P953 D957 | P953-I959 WeakPolarHBondContact CG-O 3.46Å; D957-I959 HydrophobicContact CB-CD1 4.07Å; D957-I959 HydrophobicContact CB-CG1 4.11Å; D957-I959 PolarHBondContact O-N 3.35Å |
| 960 | W | 87.1 | Confident | 86.5 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -80.8 | 141.1 | 170.7 | -69.7 | 95 | 0 | 0 | 0 | 110.3 | S836 P837 A838 L951 P953 A964 V1013 F1017 S1019 | S836-W960 VanDerWaalsContact CB-CD1 3.47Å; P837-W960 HydrophobicContact CB-CD2 4.19Å; P837-W960 HydrophobicContact CB-CE3 4.06Å; P837-W960 HydrophobicContact CB-CH2 3.99Å; P837-W960 HydrophobicContact CB-CZ2 4.15Å; P837-W960 HydrophobicContact CB-CZ3 3.95Å; P837-W960 HydrophobicContact CG-CD2 3.89Å; P837-W960 HydrophobicContact CG-CE3 3.62Å; P837-W960 HydrophobicContact CG-CG 4.42Å; P837-W960 HydrophobicContact CG-CH2 4.44Å; P837-W960 HydrophobicContact CG-CZ3 3.91Å; A838-W960 HydrophobicContact CB-CZ2 4.15Å; L951-W960 HydrophobicContact CD1-CH2 4.41Å; L951-W960 HydrophobicContact CD1-CZ2 4.45Å; L951-W960 HydrophobicContact CG-CH2 4.42Å; L951-W960 HydrophobicContact CG-CZ2 4.07Å; P953-W960 HydrophobicContact CB-CD2 3.96Å; P953-W960 HydrophobicContact CB-CE3 4.01Å; P953-W960 HydrophobicContact CB-CG 4.44Å; P953-W960 HydrophobicContact CB-CZ3 4.35Å; P953-W960 HydrophobicContact CG-CD2 4.12Å; P953-W960 HydrophobicContact CG-CG 4.18Å; W960-A964 HydrophobicContact CE3-CB 4.38Å; W960-V1013 HydrophobicContact CH2-CG1 3.69Å; W960-V1013 HydrophobicContact CZ3-CG1 4.09Å; W960-F1017 HydrophobicContact CZ3-CB 4.1Å; W960-S1019 VanDerWaalsContact CH2-CB 3.5Å |
| 961 | P | 82 | Confident | 86.1 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 152.7 | 175.3 | 30.4 | -34.6 | 0 | 0 | 0 | 111.7 | P547 D963 A964 R965 | P547-P961 HydrophobicContact CG-CG 4.34Å; P961-D963 WeakPolarHBondContact CB-OD1 3.46Å; P961-D963 WeakPolarHBondContact CG-OD1 3.49Å; P961-D963 PolarHBondContact O-N 2.76Å; P961-A964 HydrophobicContact CG-CB 3.9Å; P961-A964 PolarHBondContact O-N 3.25Å; P961-R965 PolarHBondContact O-N 2.68Å |
| 962 | D | 81.6 | Confident | 85.8 | Confident | 88 Ų | 88 | 44.6 Ų | 44.6 | 47% | 0.471 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -31.4 | 179.9 | -69.6 | -68.1 | 0 | 0 | 0 | 112.7 | R965 N966 | D962-R965 PolarHBondContact O-N 3.44Å; D962-R965 IonicContact OD1-CZ 2.71Å; D962-R965 IonicContact OD1-NH1 2.72Å; D962-R965 PolarHBondContact OD1-NH1 3.17Å; D962-R965 IonicContact OD1-NH2 3.79Å; D962-R965 PolarHBondContact OD1-NH2 2.79Å; D962-N966 VanDerWaalsContact O-CB 3.22Å; D962-N966 WeakPolarHBondContact O-CB 3.4Å; D962-N966 PolarHBondContact O-N 3.33Å; D962-N966 PolarHBondContact O-ND2 3.36Å |
| 963 | D | 78.9 | Confident | 85.5 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 177.9 | 85.4 | -42 | 0 | 0 | 0 | 111.6 | L546 P547 N548 P961 N966 L967 | L546-D963 HydrophobicContact CD2-CB 4.28Å; P547-D963 WeakPolarHBondContact CD-OD1 3.17Å; P547-D963 WeakPolarHBondContact CD-OD2 3.46Å; P547-D963 WeakPolarHBondContact CG-OD1 3.29Å; P547-D963 WeakPolarHBondContact CG-OD2 3.36Å; N548-D963 WeakPolarHBondContact CB-OD2 3.3Å; N548-D963 PolarHBondContact N-OD2 2.78Å; N548-D963 VanDerWaalsContact N-OD2 3.14Å; N548-D963 PolarHBondContact ND2-OD2 2.89Å; P961-D963 WeakPolarHBondContact CB-OD1 3.46Å; P961-D963 WeakPolarHBondContact CG-OD1 3.49Å; P961-D963 PolarHBondContact O-N 2.76Å; D963-N966 PolarHBondContact O-N 3.25Å; D963-L967 WeakPolarHBondContact O-CB 3.27Å; D963-L967 PolarHBondContact O-N 2.93Å |
| 964 | A | 85.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P837 W960 P961 N966 L967 V968 F1017 | P837-A964 HydrophobicContact CG-CB 3.92Å; W960-A964 HydrophobicContact CE3-CB 4.38Å; P961-A964 HydrophobicContact CG-CB 3.9Å; P961-A964 PolarHBondContact O-N 3.25Å; A964-N966 VanDerWaalsContact C-N 3.34Å; A964-N966 PolarHBondContact O-N 3.33Å; A964-L967 PolarHBondContact O-N 3.45Å; A964-V968 WeakPolarHBondContact O-CB 3.48Å; A964-V968 WeakPolarHBondContact O-CG2 3.29Å; A964-V968 PolarHBondContact O-N 3.02Å; A964-F1017 VanDerWaalsContact CA-CE1 3.4Å; A964-F1017 HydrophobicContact CB-CD1 3.56Å; A964-F1017 HydrophobicContact CB-CE1 3.37Å; A964-F1017 HydrophobicContact CB-CE2 4.39Å; A964-F1017 HydrophobicContact CB-CG 4.16Å; A964-F1017 HydrophobicContact CB-CZ 3.81Å |
| 965 | R | 89.1 | Confident | 83.7 | Confident | 74 Ų | 74 | 56 Ų | 56 | 28% | 0.279 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 171.8 | -175.5 | -171.3 | 70.8 | -128.5 | -9 | 111 | C834 Y835 P961 D962 R969 | C834-R965 VanDerWaalsContact O-CD 3.23Å; C834-R965 WeakPolarHBondContact O-CD 3.38Å; C834-R965 VanDerWaalsContact O-CG 3.27Å; C834-R965 WeakPolarHBondContact O-CG 3.46Å; Y835-R965 WeakPolarHBondContact O-CD 3.5Å; P961-R965 PolarHBondContact O-N 2.68Å; D962-R965 PolarHBondContact O-N 3.44Å; D962-R965 IonicContact OD1-CZ 2.71Å; D962-R965 IonicContact OD1-NH1 2.72Å; D962-R965 PolarHBondContact OD1-NH1 3.17Å; D962-R965 IonicContact OD1-NH2 3.79Å; D962-R965 PolarHBondContact OD1-NH2 2.79Å; R965-R969 WeakPolarHBondContact O-CB 3.26Å; R965-R969 PolarHBondContact O-N 2.98Å |
| 966 | N | 85.6 | Confident | 82 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 32% | 0.316 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | -179.1 | -79.1 | -42.5 | 0 | 0 | 0 | 112.9 | D962 D963 A964 R969 K970 | D962-N966 VanDerWaalsContact O-CB 3.22Å; D962-N966 WeakPolarHBondContact O-CB 3.4Å; D962-N966 PolarHBondContact O-N 3.33Å; D962-N966 PolarHBondContact O-ND2 3.36Å; D963-N966 PolarHBondContact O-N 3.25Å; A964-N966 VanDerWaalsContact C-N 3.34Å; A964-N966 PolarHBondContact O-N 3.33Å; N966-R969 PolarHBondContact O-N 3.4Å; N966-R969 PolarHBondContact OD1-NH2 3.06Å; N966-K970 VanDerWaalsContact O-CB 3.29Å; N966-K970 WeakPolarHBondContact O-CB 3.25Å; N966-K970 PolarHBondContact O-N 3.19Å |
| 967 | L | 85.8 | Confident | 79.9 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.2 | -48.5 | 177.6 | -167.3 | 160.3 | 0 | 0 | 0 | 110 | D963 A964 R969 K970 D971 F1012 F1017 | D963-L967 WeakPolarHBondContact O-CB 3.27Å; D963-L967 PolarHBondContact O-N 2.93Å; A964-L967 PolarHBondContact O-N 3.45Å; L967-R969 VanDerWaalsContact C-N 3.3Å; L967-R969 PolarHBondContact O-N 3.43Å; L967-K970 PolarHBondContact O-N 2.9Å; L967-K970 VanDerWaalsContact O-N 3.15Å; L967-D971 HydrophobicContact CD2-CB 4.03Å; L967-D971 WeakPolarHBondContact O-CA 3.19Å; L967-D971 VanDerWaalsContact O-CB 3.32Å; L967-D971 WeakPolarHBondContact O-CB 3.39Å; L967-D971 PolarHBondContact O-N 3.09Å; L967-F1012 HydrophobicContact CD2-CE1 3.7Å; L967-F1012 HydrophobicContact CD2-CZ 3.59Å; L967-F1017 HydrophobicContact CB-CZ 4.12Å; L967-F1017 HydrophobicContact CD1-CE1 4.49Å; L967-F1017 HydrophobicContact CD1-CZ 4.3Å; L967-F1017 HydrophobicContact CD2-CZ 3.98Å; L967-F1017 HydrophobicContact CG-CZ 4.35Å |
| 968 | V | 90.1 | Very high | 78.2 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.3 | -44 | 173.1 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | P837 A964 K970 F972 F973 L1009 F1012 V1013 F1017 | P837-V968 HydrophobicContact CB-CG2 4.08Å; P837-V968 HydrophobicContact CG-CG2 3.99Å; A964-V968 WeakPolarHBondContact O-CB 3.48Å; A964-V968 WeakPolarHBondContact O-CG2 3.29Å; A964-V968 PolarHBondContact O-N 3.02Å; V968-K970 PolarHBondContact O-N 3.06Å; V968-F972 HydrophobicContact CG1-CB 4.42Å; V968-F972 WeakPolarHBondContact O-CB 3.29Å; V968-F972 PolarHBondContact O-N 2.8Å; V968-F973 HydrophobicContact CG1-CD2 3.9Å; V968-F973 HydrophobicContact CG1-CE2 3.49Å; V968-F973 VanDerWaalsContact CG1-CE2 3.49Å; V968-F973 HydrophobicContact CG1-CZ 4.26Å; V968-F973 PolarHBondContact O-N 3.16Å; V968-F973 VanDerWaalsContact O-N 3.08Å; V968-L1009 HydrophobicContact CG1-CD1 3.79Å; V968-L1009 HydrophobicContact CG2-CD1 4.49Å; V968-F1012 HydrophobicContact CG2-CD1 4.25Å; V968-F1012 HydrophobicContact CG2-CE1 4Å; V968-V1013 HydrophobicContact CG2-CG2 3.93Å; V968-F1017 HydrophobicContact CG2-CE2 3.9Å; V968-F1017 HydrophobicContact CG2-CZ 4.35Å |
| 969 | R | 88.9 | Confident | 76.6 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 39% | 0.389 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -61.2 | -37.2 | 176.2 | -175.9 | 173.3 | 66.8 | 145.9 | -2 | 113.6 | R965 N966 L967 R974 | R965-R969 WeakPolarHBondContact O-CB 3.26Å; R965-R969 PolarHBondContact O-N 2.98Å; N966-R969 PolarHBondContact O-N 3.4Å; N966-R969 PolarHBondContact OD1-NH2 3.06Å; L967-R969 VanDerWaalsContact C-N 3.3Å; L967-R969 PolarHBondContact O-N 3.43Å; R969-R974 VanDerWaalsContact O-CB 3.3Å; R969-R974 WeakPolarHBondContact O-CB 3.46Å; R969-R974 WeakPolarHBondContact O-CD 3.44Å; R969-R974 WeakPolarHBondContact O-CG 3.16Å; R969-R974 PolarHBondContact O-N 2.86Å |
| 970 | K | 84.6 | Confident | 75.2 | Confident | 143 Ų | 143 | 78.9 Ų | 78.9 | 62% | 0.622 | 36% | 0.355 | S | S | * | . | I | π-helix | trans | -86.4 | -44.3 | -177.9 | -172.3 | -170.3 | 170.6 | -166.6 | 0 | 112.9 | N966 L967 V968 R974 R975 | N966-K970 VanDerWaalsContact O-CB 3.29Å; N966-K970 WeakPolarHBondContact O-CB 3.25Å; N966-K970 PolarHBondContact O-N 3.19Å; L967-K970 PolarHBondContact O-N 2.9Å; L967-K970 VanDerWaalsContact O-N 3.15Å; V968-K970 PolarHBondContact O-N 3.06Å; K970-R974 CarbonylContact O-C 3.55Å; K970-R974 WeakPolarHBondContact O-CB 3.41Å; K970-R975 PolarHBondContact O-N 3.13Å |
| 971 | D | 84.9 | Confident | 74 | Confident | 39 Ų | 39 | 82 Ų | 82 | 21% | 0.209 | 37% | 0.374 | C | S | . | . | I | π-helix | trans | -108.9 | -7.5 | -163.3 | -79.6 | 56.6 | 0 | 0 | 0 | 113.9 | L967 R975 F1012 | L967-D971 HydrophobicContact CD2-CB 4.03Å; L967-D971 WeakPolarHBondContact O-CA 3.19Å; L967-D971 VanDerWaalsContact O-CB 3.32Å; L967-D971 WeakPolarHBondContact O-CB 3.39Å; L967-D971 PolarHBondContact O-N 3.09Å; D971-R975 WeakPolarHBondContact O-CD 3.42Å; D971-R975 PolarHBondContact O-NE 2.86Å; D971-R975 VanDerWaalsContact O-NE 3.11Å; D971-R975 IonicContact OD2-CZ 3.73Å; D971-R975 IonicContact OD2-NE 3.56Å; D971-R975 PolarHBondContact OD2-NE 2.86Å; D971-R975 IonicContact OD2-NH2 3.48Å; D971-R975 PolarHBondContact OD2-NH2 2.72Å; D971-F1012 HydrophobicContact CB-CE2 4.47Å; D971-F1012 HydrophobicContact CB-CZ 3.9Å |
| 972 | F | 87.8 | Confident | 73.9 | Confident | 7 Ų | 7 | 81.4 Ų | 81.4 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | I | π-helix | trans | -110.5 | -63.1 | 163.5 | -169.1 | -88.7 | 0 | 0 | 0 | 110.4 | V968 R982 F984 N1007 L1009 F1012 | V968-F972 HydrophobicContact CG1-CB 4.42Å; V968-F972 WeakPolarHBondContact O-CB 3.29Å; V968-F972 PolarHBondContact O-N 2.8Å; F972-R982 PolarHBondContact O-NH1 2.99Å; F972-F984 HydrophobicContact CD1-CE1 4.39Å; F972-F984 HydrophobicContact CE1-CD1 4.19Å; F972-F984 AromaticContact CE1-CE1 3.99Å; F972-F984 HydrophobicContact CE1-CE1 3.99Å; F972-N1007 HydrophobicContact CE2-CB 3.99Å; F972-N1007 HydrophobicContact CZ-CB 4.46Å; F972-N1007 WeakPolarHBondContact CZ-O 3.29Å; F972-L1009 HydrophobicContact CB-CD1 4.2Å; F972-L1009 HydrophobicContact CD1-CB 4.4Å; F972-L1009 HydrophobicContact CD1-CD1 3.84Å; F972-L1009 HydrophobicContact CD1-CG 4.48Å; F972-L1009 HydrophobicContact CD2-CD1 4.03Å; F972-L1009 HydrophobicContact CE1-CB 3.89Å; F972-L1009 HydrophobicContact CE1-CD1 4.21Å; F972-L1009 HydrophobicContact CE1-CD2 4.47Å; F972-L1009 HydrophobicContact CE1-CG 4.41Å; F972-L1009 HydrophobicContact CE2-CB 4.01Å; F972-L1009 HydrophobicContact CE2-CD1 4.38Å; F972-L1009 HydrophobicContact CG-CD1 3.75Å; F972-L1009 HydrophobicContact CZ-CB 3.67Å; F972-L1009 HydrophobicContact CZ-CD1 4.47Å; F972-F1012 HydrophobicContact CB-CD1 4.3Å; F972-F1012 HydrophobicContact CB-CD2 4.45Å; F972-F1012 HydrophobicContact CB-CE1 4.19Å; F972-F1012 HydrophobicContact CB-CE2 4.33Å; F972-F1012 HydrophobicContact CB-CG 4.44Å; F972-F1012 HydrophobicContact CB-CZ 4.21Å; F972-F1012 HydrophobicContact CD2-CB 3.93Å; F972-F1012 HydrophobicContact CD2-CD1 4.4Å; F972-F1012 AromaticContact CD2-CD2 3.87Å; F972-F1012 HydrophobicContact CD2-CD2 3.87Å; F972-F1012 HydrophobicContact CD2-CE2 4.48Å; F972-F1012 AromaticContact CD2-CG 3.82Å; F972-F1012 HydrophobicContact CD2-CG 3.82Å; F972-F1012 HydrophobicContact CE2-CB 4.3Å |
| 973 | F | 86.1 | Confident | 74.1 | Confident | 20 Ų | 20 | 80.7 Ų | 80.7 | 9% | 0.088 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -70 | -41.8 | -173.3 | -63.5 | -54.1 | 0 | 0 | 0 | 113.9 | V831 C834 L840 V968 R982 F984 L1009 | V831-F973 HydrophobicContact CB-CD1 4.47Å; V831-F973 HydrophobicContact CG2-CD1 3.93Å; V831-F973 HydrophobicContact CG2-CE1 3.75Å; V831-F973 HydrophobicContact CG2-CZ 4.31Å; C834-F973 HydrophobicContact CB-CD2 4.09Å; C834-F973 HydrophobicContact CB-CE2 3.98Å; L840-F973 HydrophobicContact CD1-CE1 4.25Å; L840-F973 HydrophobicContact CD1-CE2 4.36Å; L840-F973 HydrophobicContact CD1-CZ 3.62Å; L840-F973 HydrophobicContact CD2-CE2 3.64Å; L840-F973 HydrophobicContact CD2-CZ 3.73Å; L840-F973 HydrophobicContact CG-CZ 4.36Å; V968-F973 HydrophobicContact CG1-CD2 3.9Å; V968-F973 HydrophobicContact CG1-CE2 3.49Å; V968-F973 VanDerWaalsContact CG1-CE2 3.49Å; V968-F973 HydrophobicContact CG1-CZ 4.26Å; V968-F973 PolarHBondContact O-N 3.16Å; V968-F973 VanDerWaalsContact O-N 3.08Å; F973-R982 PolarHBondContact O-NH1 2.92Å; F973-F984 HydrophobicContact CB-CZ 4.48Å; F973-F984 HydrophobicContact CD1-CD1 4.23Å; F973-F984 AromaticContact CD1-CE1 3.69Å; F973-F984 HydrophobicContact CD1-CE1 3.69Å; F973-F984 HydrophobicContact CD1-CE2 4.22Å; F973-F984 AromaticContact CD1-CZ 3.7Å; F973-F984 HydrophobicContact CD1-CZ 3.7Å; F973-F984 HydrophobicContact CE1-CD1 4.31Å; F973-F984 HydrophobicContact CE1-CE1 4.2Å; F973-L1009 HydrophobicContact CE1-CD2 4.19Å; F973-L1009 HydrophobicContact CE2-CD2 4.49Å; F973-L1009 HydrophobicContact CZ-CD2 3.61Å |
| 974 | R | 75.6 | Confident | 74.8 | Confident | 183 Ų | 183 | 80.4 Ų | 80.4 | 69% | 0.691 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.8 | -178.3 | -71.7 | 175.9 | 172.9 | -156.9 | -2.8 | 115.3 | R969 K970 T976 | R969-R974 VanDerWaalsContact O-CB 3.3Å; R969-R974 WeakPolarHBondContact O-CB 3.46Å; R969-R974 WeakPolarHBondContact O-CD 3.44Å; R969-R974 WeakPolarHBondContact O-CG 3.16Å; R969-R974 PolarHBondContact O-N 2.86Å; K970-R974 CarbonylContact O-C 3.55Å; K970-R974 WeakPolarHBondContact O-CB 3.41Å; R974-T976 PolarHBondContact O-N 2.91Å |
| 975 | R | 55.5 | Low | 75.3 | Confident | 105 Ų | 105 | 83.1 Ų | 83.1 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | trans | -72.8 | 130.9 | -171.3 | -134.4 | -174.6 | -135.7 | 172.7 | 2.7 | 111.9 | K970 D971 | K970-R975 PolarHBondContact O-N 3.13Å; D971-R975 WeakPolarHBondContact O-CD 3.42Å; D971-R975 PolarHBondContact O-NE 2.86Å; D971-R975 VanDerWaalsContact O-NE 3.11Å; D971-R975 IonicContact OD2-CZ 3.73Å; D971-R975 IonicContact OD2-NE 3.56Å; D971-R975 PolarHBondContact OD2-NE 2.86Å; D971-R975 IonicContact OD2-NH2 3.48Å; D971-R975 PolarHBondContact OD2-NH2 2.72Å | ||
| 976 | T | 48.1 | Very low | 75.7 | Confident | 85 Ų | 85 | 79.6 Ų | 79.6 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 54.9 | 128.9 | 155.6 | 37.3 | 0 | 0 | 0 | 0 | 119.8 | R974 | R974-T976 PolarHBondContact O-N 2.91Š|
| 977 | H | 42.5 | Very low | 76.2 | Confident | 152 Ų | 152 | 80.2 Ų | 80.2 | 70% | 0.704 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 72.8 | 143.7 | 177 | -48.6 | -72.4 | 0 | 0 | 0 | 116.6 | K979 | H977-K979 PolarHBondContact O-N 3.42Š|
| 978 | N | 47.8 | Very low | 76.7 | Confident | 169 Ų | 169 | 78.8 Ų | 78.8 | 90% | 0.904 | 36% | 0.358 | S | S | * | . | trans | -71.2 | 22.7 | -166.6 | -66.1 | -22.4 | 0 | 0 | 0 | 115.6 | R980 | N978-R980 VanDerWaalsContact C-N 3.34Å; N978-R980 PolarHBondContact O-N 2.88Å | ||
| 979 | K | 54.2 | Low | 77 | Confident | 106 Ų | 106 | 82 Ų | 82 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | trans | -66.1 | 88.6 | 175 | -67 | 177.1 | -177.1 | 171.3 | 0 | 109.4 | H977 N981 R982 E1005 | H977-K979 PolarHBondContact O-N 3.42Å; K979-N981 PolarHBondContact O-N 2.83Å; K979-R982 HydrophobicContact CB-CG 4.1Å; K979-E1005 IonicContact NZ-OE1 3.51Å; K979-E1005 PolarHBondContact NZ-OE1 2.85Å | ||
| 980 | R | 57.3 | Low | 77.1 | Confident | 212 Ų | 212 | 77.9 Ų | 77.9 | 80% | 0.8 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -56 | -26.2 | 179.9 | -69.7 | -178.2 | 176.6 | 174.2 | -1.1 | 112.8 | R853 N978 | R853-R980 VanDerWaalsContact CZ-O 3.3Å; R853-R980 PolarHBondContact NH2-O 2.99Å; N978-R980 VanDerWaalsContact C-N 3.34Å; N978-R980 PolarHBondContact O-N 2.88Å |
| 981 | N | 62.3 | Low | 77.6 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -118.3 | 87.6 | 173.7 | -61.5 | -10.7 | 0 | 0 | 0 | 109.6 | R853 K979 | R853-N981 PolarHBondContact NE-OD1 2.89Å; R853-N981 VanDerWaalsContact NE-OD1 3.07Å; R853-N981 PolarHBondContact NH2-OD1 3Å; K979-N981 PolarHBondContact O-N 2.83Å |
| 982 | R | 78.8 | Confident | 77.9 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | trans | -81 | 134.7 | 161 | -61.5 | -175.2 | 80.4 | -144.8 | 5.6 | 108.4 | L830 F972 F973 K979 F984 D1003 | L830-R982 WeakPolarHBondContact CD1-O 3.43Å; F972-R982 PolarHBondContact O-NH1 2.99Å; F973-R982 PolarHBondContact O-NH1 2.92Å; K979-R982 HydrophobicContact CB-CG 4.1Å; R982-F984 HydrophobicContact CB-CE2 4.12Å; R982-F984 HydrophobicContact CB-CZ 4.16Å; R982-D1003 IonicContact CZ-OD2 2.7Å; R982-D1003 IonicContact NH1-OD2 2.67Å; R982-D1003 IonicContact NH2-OD2 3.38Å; R982-D1003 PolarHBondContact NH2-OD2 3.06Å | ||
| 983 | Q | 86.1 | Confident | 77.9 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 35% | 0.346 | 34% | 0.34 | S | S | . | . | trans | -99.4 | 161.9 | 168.6 | -70.9 | -172.7 | -5.3 | 0 | 0 | 110.1 | D1004 | Q983-D1004 WeakPolarHBondContact CB-OD1 3.33Å; Q983-D1004 PolarHBondContact N-OD2 3.21Å | ||
| 984 | F | 93.8 | Very high | 78 | Confident | 7 Ų | 7 | 75.1 Ų | 75.1 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 150 | 175.9 | -59.6 | -87.4 | 0 | 0 | 0 | 108 | R828 F829 V831 F972 F973 R982 I1001 Y1002 D1003 | R828-F984 WeakPolarHBondContact CA-O 3.48Å; F829-F984 WeakPolarHBondContact CD1-O 3.41Å; F829-F984 HydrophobicContact CD2-CB 4.05Å; F829-F984 HydrophobicContact CE1-CB 4.44Å; F829-F984 HydrophobicContact CE2-CB 3.64Å; F829-F984 HydrophobicContact CZ-CB 3.87Å; F829-F984 PolarHBondContact N-O 2.86Å; F829-F984 PolarHBondContact O-N 2.81Å; V831-F984 HydrophobicContact CG2-CD2 3.83Å; V831-F984 HydrophobicContact CG2-CE2 4.21Å; V831-F984 HydrophobicContact CG2-CG 4.3Å; F972-F984 HydrophobicContact CD1-CE1 4.39Å; F972-F984 HydrophobicContact CE1-CD1 4.19Å; F972-F984 AromaticContact CE1-CE1 3.99Å; F972-F984 HydrophobicContact CE1-CE1 3.99Å; F973-F984 HydrophobicContact CB-CZ 4.48Å; F973-F984 HydrophobicContact CD1-CD1 4.23Å; F973-F984 AromaticContact CD1-CE1 3.69Å; F973-F984 HydrophobicContact CD1-CE1 3.69Å; F973-F984 HydrophobicContact CD1-CE2 4.22Å; F973-F984 AromaticContact CD1-CZ 3.7Å; F973-F984 HydrophobicContact CD1-CZ 3.7Å; F973-F984 HydrophobicContact CE1-CD1 4.31Å; F973-F984 HydrophobicContact CE1-CE1 4.2Å; R982-F984 HydrophobicContact CB-CE2 4.12Å; R982-F984 HydrophobicContact CB-CZ 4.16Å; F984-I1001 HydrophobicContact CB-CG2 4.14Å; F984-I1001 HydrophobicContact CD1-CG2 4.5Å; F984-Y1002 CarbonylContact C-O 3.54Å; F984-Y1002 VanDerWaalsContact CA-O 3.27Å; F984-Y1002 WeakPolarHBondContact CA-O 3.4Å; F984-D1003 HydrophobicContact CD1-CB 3.68Å; F984-D1003 HydrophobicContact CE1-CB 3.59Å |
| 985 | H | 95.8 | Very high | 78.9 | Confident | 57 Ų | 57 | 67 Ų | 67 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.6 | -179.3 | 64.6 | -85.2 | 0 | 0 | 0 | 112.2 | L826 I827 R828 Y1002 D1003 | L826-H985 HydrophobicContact CD1-CB 4.29Å; I827-H985 WeakPolarHBondContact O-CA 3.33Å; I827-H985 WeakPolarHBondContact O-CB 3.19Å; R828-H985 HydrophobicContact CG-CB 4.44Å; H985-Y1002 PolarHBondContact N-O 3.39Å; H985-Y1002 PolarHBondContact O-N 3.01Å; H985-D1003 PolarHBondContact CE1-O 3.3Å |
| 986 | A | 97.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 158.8 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | I827 F829 V998 N1000 I1001 | I827-A986 HydrophobicContact CG1-CB 4.36Å; I827-A986 VanDerWaalsContact CG1-O 3.3Å; I827-A986 WeakPolarHBondContact CG1-O 3.45Å; I827-A986 PolarHBondContact N-O 2.94Å; I827-A986 PolarHBondContact O-N 2.86Å; I827-A986 VanDerWaalsContact O-N 3.16Å; F829-A986 HydrophobicContact CE1-CB 3.78Å; F829-A986 HydrophobicContact CZ-CB 4.34Å; A986-V998 HydrophobicContact CB-CB 3.97Å; A986-V998 HydrophobicContact CB-CG1 3.69Å; A986-V998 HydrophobicContact CB-CG2 4.19Å; A986-N1000 VanDerWaalsContact CB-O 3.27Å; A986-N1000 WeakPolarHBondContact CB-O 3.24Å; A986-I1001 HydrophobicContact CB-CG1 4.42Å |
| 987 | V | 97 | Very high | 83.2 | Confident | 72 Ų | 72 | 58 Ų | 58 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.3 | 174.6 | -177 | 0 | 0 | 0 | 0 | 109.4 | G825 L826 Q989 | G825-V987 CarbonylContact O-C 3.59Å; G825-V987 WeakPolarHBondContact O-CA 3.37Å; L826-V987 HydrophobicContact CD1-CG2 4.07Å; V987-Q989 PolarHBondContact O-N 3.29Å; V987-Q989 PolarHBondContact O-NE2 2.98Å |
| 988 | V | 96.9 | Very high | 85.8 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 127.8 | 177 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | P822 G825 I827 I996 | P822-V988 HydrophobicContact CB-CG2 4.34Å; P822-V988 HydrophobicContact CG-CG2 4.25Å; G825-V988 PolarHBondContact O-N 3.06Å; I827-V988 HydrophobicContact CD1-CG2 3.85Å; I827-V988 HydrophobicContact CG1-CG2 3.99Å; I827-V988 HydrophobicContact CG2-CG2 3.81Å; V988-I996 HydrophobicContact CB-CG2 4.42Å; V988-I996 HydrophobicContact CG1-CG2 4.01Å; V988-I996 HydrophobicContact CG2-CG2 3.72Å |
| 989 | Q | 94.9 | Very high | 88 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 31% | 0.308 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -44.7 | 173.4 | -59.8 | -57.8 | -85.3 | 0 | 0 | 111.1 | V987 F997 R999 | V987-Q989 PolarHBondContact O-N 3.29Å; V987-Q989 PolarHBondContact O-NE2 2.98Å; Q989-F997 PolarHBondContact N-O 2.9Å; Q989-R999 HydrophobicContact CG-CG 3.67Å |
| 990 | S | 92.9 | Very high | 90 | Very high | 18 Ų | 18 | 46 Ų | 46 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 154.9 | 178.7 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | F997 Q1026 | S990-F997 PolarHBondContact O-N 3.5Å; S990-Q1026 PolarHBondContact OG-NE2 3.39Å; S990-Q1026 PolarHBondContact OG-OE1 3.01Å |
| 991 | A | 93.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 36 Ų | 36 | 12% | 0.116 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | P817 T995 | P817-A991 HydrophobicContact CB-CB 3.89Å; P817-A991 HydrophobicContact CG-CB 3.91Å; P817-A991 WeakPolarHBondContact CG-O 3.44Å; A991-T995 WeakPolarHBondContact CA-O 3.49Å |
| 992 | I | 92.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 125.8 | -173.3 | -60 | 171.7 | 0 | 0 | 0 | 106.4 | M810 R994 T995 F997 L1029 M1032 V1033 | M810-I992 HydrophobicContact CE-CG2 3.56Å; M810-I992 HydrophobicContact SD-CG2 4.11Å; I992-R994 PolarHBondContact O-N 3.44Å; I992-T995 PolarHBondContact N-O 2.68Å; I992-T995 WeakPolarHBondContact O-CB 3.38Å; I992-T995 PolarHBondContact O-N 3.25Å; I992-T995 VanDerWaalsContact O-N 3.1Å; I992-F997 HydrophobicContact CB-CE2 4.18Å; I992-F997 HydrophobicContact CD1-CE2 4.4Å; I992-L1029 HydrophobicContact CD1-CB 3.9Å; I992-M1032 HydrophobicContact CG2-CE 4.18Å; I992-V1033 HydrophobicContact CD1-CG2 4.14Å; I992-V1033 HydrophobicContact CG1-CG2 4.39Å; I992-V1033 HydrophobicContact CG2-CG2 3.82Å |
| 993 | H | 87.4 | Confident | 94 | Very high | 54 Ų | 54 | 34.5 Ų | 34.5 | 25% | 0.25 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | -134.8 | -169.2 | -162.8 | 60.2 | 0 | 0 | 0 | 112 | M810 E814 V815 P817 P818 T995 | M810-H993 HydrophobicContact CE-CB 3.76Å; E814-H993 WeakPolarHBondContact CA-ND1 3.49Å; E814-H993 WeakPolarHBondContact O-CA 3.2Å; E814-H993 WeakPolarHBondContact O-CB 3.41Å; E814-H993 PolarHBondContact O-N 2.91Å; E814-H993 PolarHBondContact O-ND1 2.81Å; V815-H993 PolarHBondContact O-N 3.12Å; P817-H993 VanDerWaalsContact CA-O 3.24Å; P817-H993 WeakPolarHBondContact CA-O 3.41Å; P817-H993 WeakPolarHBondContact CB-O 3.27Å; P818-H993 WeakPolarHBondContact CD-O 3.5Å; H993-T995 PolarHBondContact O-N 3.08Å |
| 994 | R | 88.4 | Confident | 93.9 | Very high | 69 Ų | 69 | 34.6 Ų | 34.6 | 26% | 0.26 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 19.8 | 179.1 | -59.9 | 172.2 | -175.5 | -169.5 | 1.7 | 112.8 | Y821 I992 | Y821-R994 WeakPolarHBondContact CE1-O 3.41Å; Y821-R994 PolarHBondContact OH-O 3.22Å; I992-R994 PolarHBondContact O-N 3.44Å |
| 995 | T | 94.4 | Very high | 93.5 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.4 | -171.3 | -48.3 | 0 | 0 | 0 | 0 | 112.2 | D945 R947 A991 I992 H993 F997 | D945-T995 CarbonylContact O-C 3.43Å; D945-T995 WeakPolarHBondContact O-CA 3.5Å; R947-T995 HydrophobicContact CB-CG2 4.44Å; R947-T995 HydrophobicContact CG-CG2 3.85Å; A991-T995 WeakPolarHBondContact CA-O 3.49Å; I992-T995 PolarHBondContact N-O 2.68Å; I992-T995 WeakPolarHBondContact O-CB 3.38Å; I992-T995 PolarHBondContact O-N 3.25Å; I992-T995 VanDerWaalsContact O-N 3.1Å; H993-T995 PolarHBondContact O-N 3.08Å; T995-F997 HydrophobicContact CG2-CD2 4.25Å; T995-F997 HydrophobicContact CG2-CE1 4.24Å; T995-F997 HydrophobicContact CG2-CE2 3.65Å; T995-F997 HydrophobicContact CG2-CZ 3.65Å |
| 996 | I | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.3 | 175.1 | -58.6 | 172.5 | 0 | 0 | 0 | 109 | Y821 P822 I827 M944 D945 L946 R947 V988 V998 | Y821-I996 HydrophobicContact CD1-CD1 4.01Å; Y821-I996 HydrophobicContact CD1-CG1 3.73Å; Y821-I996 HydrophobicContact CE1-CD1 4.36Å; Y821-I996 HydrophobicContact CE1-CG1 4.13Å; P822-I996 HydrophobicContact CG-CD1 3.92Å; I827-I996 HydrophobicContact CD1-CG2 4.37Å; M944-I996 HydrophobicContact CB-CD1 4.03Å; M944-I996 HydrophobicContact CG-CD1 4.46Å; M944-I996 HydrophobicContact SD-CD1 3.65Å; D945-I996 PolarHBondContact O-N 2.82Å; L946-I996 WeakPolarHBondContact CA-O 3.36Å; L946-I996 HydrophobicContact CD1-CG2 4.43Å; R947-I996 PolarHBondContact N-O 2.87Å; V988-I996 HydrophobicContact CB-CG2 4.42Å; V988-I996 HydrophobicContact CG1-CG2 4.01Å; V988-I996 HydrophobicContact CG2-CG2 3.72Å; I996-V998 HydrophobicContact CG2-CG1 4.27Å |
| 997 | F | 96.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.2 | 177.8 | -67.1 | -87.5 | 0 | 0 | 0 | 111.3 | R947 L949 Q989 S990 I992 T995 L1029 | R947-F997 HydrophobicContact CB-CD1 4.27Å; R947-F997 HydrophobicContact CB-CE1 4.29Å; L949-F997 HydrophobicContact CD1-CB 4.44Å; L949-F997 HydrophobicContact CD1-CD1 4.06Å; L949-F997 HydrophobicContact CD1-CG 4.5Å; Q989-F997 PolarHBondContact N-O 2.9Å; S990-F997 PolarHBondContact O-N 3.5Å; I992-F997 HydrophobicContact CB-CE2 4.18Å; I992-F997 HydrophobicContact CD1-CE2 4.4Å; T995-F997 HydrophobicContact CG2-CD2 4.25Å; T995-F997 HydrophobicContact CG2-CE1 4.24Å; T995-F997 HydrophobicContact CG2-CE2 3.65Å; T995-F997 HydrophobicContact CG2-CZ 3.65Å; F997-L1029 HydrophobicContact CD1-CD1 3.95Å; F997-L1029 HydrophobicContact CD2-CD1 4.47Å; F997-L1029 HydrophobicContact CE1-CD1 3.66Å; F997-L1029 HydrophobicContact CE2-CD1 4.22Å; F997-L1029 HydrophobicContact CG-CD1 4.34Å; F997-L1029 HydrophobicContact CZ-CD1 3.8Å; F997-L1029 HydrophobicContact CZ-CD2 4.12Å |
| 998 | V | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151.9 | 178.6 | -58 | 0 | 0 | 0 | 0 | 110.1 | L946 R947 I948 L949 A986 I996 N1000 I1001 | L946-V998 HydrophobicContact CD1-CG1 4.22Å; L946-V998 HydrophobicContact CD2-CG2 3.84Å; L946-V998 HydrophobicContact CG-CG1 4.32Å; L946-V998 HydrophobicContact CG-CG2 4.42Å; R947-V998 PolarHBondContact O-N 2.8Å; I948-V998 WeakPolarHBondContact CA-O 3.32Å; I948-V998 HydrophobicContact CG1-CG2 4.4Å; L949-V998 WeakPolarHBondContact CB-O 3.43Å; L949-V998 PolarHBondContact N-O 2.86Å; A986-V998 HydrophobicContact CB-CB 3.97Å; A986-V998 HydrophobicContact CB-CG1 3.69Å; A986-V998 HydrophobicContact CB-CG2 4.19Å; I996-V998 HydrophobicContact CG2-CG1 4.27Å; V998-N1000 VanDerWaalsContact C-N 3.33Å; V998-N1000 WeakPolarHBondContact CG2-O 3.11Å; V998-I1001 HydrophobicContact CG2-CG1 4.01Å |
| 999 | R | 94.9 | Very high | 92.3 | Very high | 165 Ų | 165 | 40.5 Ų | 40.5 | 62% | 0.623 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -71.3 | -32 | 171.8 | -64.9 | -166.6 | -170.8 | -158.2 | -0.2 | 112.5 | Q989 | Q989-R999 HydrophobicContact CG-CG 3.67Š|
| 1000 | N | 96.1 | Very high | 92.3 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | trans | -161.9 | 168.9 | -172.4 | -155.3 | -5 | 0 | 0 | 0 | 111.1 | A986 V998 Y1002 D1008 L1010 | A986-N1000 VanDerWaalsContact CB-O 3.27Å; A986-N1000 WeakPolarHBondContact CB-O 3.24Å; V998-N1000 VanDerWaalsContact C-N 3.33Å; V998-N1000 WeakPolarHBondContact CG2-O 3.11Å; N1000-Y1002 HydrophobicContact CB-CE1 4.5Å; N1000-Y1002 HydrophobicContact CB-CE2 4.02Å; N1000-Y1002 WeakPolarHBondContact ND2-CE1 3.46Å; N1000-Y1002 PolarHBondContact ND2-OH 3.33Å; N1000-D1008 PolarHBondContact ND2-OD1 3.39Å; N1000-D1008 PolarHBondContact ND2-OD2 3.16Å; N1000-D1008 PolarHBondContact OD1-OD1 2.9Å; N1000-D1008 VanDerWaalsContact OD1-OD1 3.13Å; N1000-L1010 HydrophobicContact CB-CB 4.49Å; N1000-L1010 WeakPolarHBondContact OD1-CB 3.24Å; N1000-L1010 PolarHBondContact OD1-N 3.44Å | ||
| 1001 | I | 96.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | trans | -129.9 | 134 | 173 | -59.1 | 177.6 | 0 | 0 | 0 | 108.4 | F829 L840 L946 I948 F984 A986 V998 L1009 | F829-I1001 HydrophobicContact CE2-CG2 4.3Å; F829-I1001 HydrophobicContact CZ-CD1 4.16Å; F829-I1001 HydrophobicContact CZ-CG1 4.19Å; F829-I1001 HydrophobicContact CZ-CG2 3.71Å; L840-I1001 HydrophobicContact CD1-CD1 3.45Å; L840-I1001 VanDerWaalsContact CD1-CD1 3.45Å; L840-I1001 HydrophobicContact CG-CD1 4.49Å; L946-I1001 HydrophobicContact CD2-CD1 3.37Å; L946-I1001 HydrophobicContact CD2-CG1 4.01Å; I948-I1001 HydrophobicContact CD1-CD1 4.38Å; I948-I1001 HydrophobicContact CD1-CG1 4.39Å; I948-I1001 HydrophobicContact CG1-CD1 4.27Å; I948-I1001 HydrophobicContact CG1-CG1 4.31Å; F984-I1001 HydrophobicContact CB-CG2 4.14Å; F984-I1001 HydrophobicContact CD1-CG2 4.5Å; A986-I1001 HydrophobicContact CB-CG1 4.42Å; V998-I1001 HydrophobicContact CG2-CG1 4.01Å; I1001-L1009 HydrophobicContact CB-CB 4.14Å; I1001-L1009 HydrophobicContact CB-CD2 4.12Å; I1001-L1009 HydrophobicContact CD1-CD2 4.06Å; I1001-L1009 WeakPolarHBondContact O-CB 3.41Å; I1001-L1009 PolarHBondContact O-N 3.39Å | ||
| 1002 | Y | 95.3 | Very high | 92.1 | Very high | 81 Ų | 81 | 40 Ų | 40 | 32% | 0.318 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 151.8 | 177 | -52.6 | -79.2 | 0 | 0 | 0 | 110.6 | F984 H985 N1000 N1007 D1008 | F984-Y1002 CarbonylContact C-O 3.54Å; F984-Y1002 VanDerWaalsContact CA-O 3.27Å; F984-Y1002 WeakPolarHBondContact CA-O 3.4Å; H985-Y1002 PolarHBondContact N-O 3.39Å; H985-Y1002 PolarHBondContact O-N 3.01Å; N1000-Y1002 HydrophobicContact CB-CE1 4.5Å; N1000-Y1002 HydrophobicContact CB-CE2 4.02Å; N1000-Y1002 WeakPolarHBondContact ND2-CE1 3.46Å; N1000-Y1002 PolarHBondContact ND2-OH 3.33Å; Y1002-N1007 WeakPolarHBondContact CA-O 3.47Å; Y1002-D1008 HydrophobicContact CD1-CB 4.23Å; Y1002-D1008 HydrophobicContact CE1-CB 4.07Å |
| 1003 | D | 90.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 176 | 169.9 | 71.4 | 14.2 | 0 | 0 | 0 | 112.6 | R982 F984 H985 E1005 G1006 N1007 | R982-D1003 IonicContact CZ-OD2 2.7Å; R982-D1003 IonicContact NH1-OD2 2.67Å; R982-D1003 IonicContact NH2-OD2 3.38Å; R982-D1003 PolarHBondContact NH2-OD2 3.06Å; F984-D1003 HydrophobicContact CD1-CB 3.68Å; F984-D1003 HydrophobicContact CE1-CB 3.59Å; H985-D1003 PolarHBondContact CE1-O 3.3Å; D1003-E1005 PolarHBondContact O-N 3.33Å; D1003-E1005 WeakPolarHBondContact OD1-CA 3.45Å; D1003-E1005 PolarHBondContact OD1-N 3.39Å; D1003-G1006 PolarHBondContact O-N 3.27Å; D1003-G1006 PolarHBondContact OD1-N 3.07Å; D1003-N1007 PolarHBondContact N-O 3.3Å; D1003-N1007 WeakPolarHBondContact OD1-CB 3.46Å; D1003-N1007 PolarHBondContact OD1-N 2.71Å; D1003-N1007 PolarHBondContact OD1-ND2 2.88Å; D1003-N1007 PolarHBondContact OD2-ND2 3.32Å |
| 1004 | D | 84.4 | Confident | 92.1 | Very high | 76 Ų | 76 | 40.2 Ų | 40.2 | 41% | 0.406 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -12.6 | 179.1 | -58.7 | -40.7 | 0 | 0 | 0 | 114.6 | Q983 | Q983-D1004 WeakPolarHBondContact CB-OD1 3.33Å; Q983-D1004 PolarHBondContact N-OD2 3.21Å |
| 1005 | E | 84.6 | Confident | 92 | Very high | 96 Ų | 96 | 43 Ų | 43 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 2.9 | 179.6 | -74.4 | 153.9 | -152 | 0 | 0 | 111.8 | K979 D1003 N1007 | K979-E1005 IonicContact NZ-OE1 3.51Å; K979-E1005 PolarHBondContact NZ-OE1 2.85Å; D1003-E1005 PolarHBondContact O-N 3.33Å; D1003-E1005 WeakPolarHBondContact OD1-CA 3.45Å; D1003-E1005 PolarHBondContact OD1-N 3.39Å; E1005-N1007 VanDerWaalsContact C-N 3.35Å; E1005-N1007 WeakPolarHBondContact CB-ND2 3.34Å |
| 1006 | G | 85.7 | Confident | 91.3 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 52% | 0.515 | 24% | 0.24 | S | C | . | . | trans | 80.4 | 9.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1003 | D1003-G1006 PolarHBondContact O-N 3.27Å; D1003-G1006 PolarHBondContact OD1-N 3.07Å | ||
| 1007 | N | 90 | Very high | 90.7 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | trans | -68.7 | 135.3 | 178.2 | -58.9 | -80.8 | 0 | 0 | 0 | 110.6 | F972 Y1002 D1003 E1005 | F972-N1007 HydrophobicContact CE2-CB 3.99Å; F972-N1007 HydrophobicContact CZ-CB 4.46Å; F972-N1007 WeakPolarHBondContact CZ-O 3.29Å; Y1002-N1007 WeakPolarHBondContact CA-O 3.47Å; D1003-N1007 PolarHBondContact N-O 3.3Å; D1003-N1007 WeakPolarHBondContact OD1-CB 3.46Å; D1003-N1007 PolarHBondContact OD1-N 2.71Å; D1003-N1007 PolarHBondContact OD1-ND2 2.88Å; D1003-N1007 PolarHBondContact OD2-ND2 3.32Å; E1005-N1007 VanDerWaalsContact C-N 3.35Å; E1005-N1007 WeakPolarHBondContact CB-ND2 3.34Å | ||
| 1008 | D | 92.9 | Very high | 89.9 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 24% | 0.235 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -93.2 | 121.4 | -174.8 | 172.5 | -13.8 | 0 | 0 | 0 | 111.5 | N1000 Y1002 L1010 S1011 F1012 | N1000-D1008 PolarHBondContact ND2-OD1 3.39Å; N1000-D1008 PolarHBondContact ND2-OD2 3.16Å; N1000-D1008 PolarHBondContact OD1-OD1 2.9Å; N1000-D1008 VanDerWaalsContact OD1-OD1 3.13Å; Y1002-D1008 HydrophobicContact CD1-CB 4.23Å; Y1002-D1008 HydrophobicContact CE1-CB 4.07Å; D1008-L1010 WeakPolarHBondContact OD1-CA 3.44Å; D1008-L1010 WeakPolarHBondContact OD1-CB 3.32Å; D1008-L1010 PolarHBondContact OD1-N 2.77Å; D1008-S1011 VanDerWaalsContact CG-OG 3.25Å; D1008-S1011 PolarHBondContact OD1-N 2.77Å; D1008-S1011 WeakPolarHBondContact OD2-CB 3.48Å; D1008-S1011 PolarHBondContact OD2-OG 3.32Å; D1008-F1012 WeakPolarHBondContact O-CB 3.47Å; D1008-F1012 PolarHBondContact O-N 3.05Å |
| 1009 | L | 93.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.7 | -41.4 | 178.1 | -179.1 | 56.4 | 0 | 0 | 0 | 113.4 | I948 V968 F972 F973 I1001 F1012 V1013 | I948-L1009 HydrophobicContact CD1-CD2 4Å; I948-L1009 HydrophobicContact CD1-CG 4.15Å; V968-L1009 HydrophobicContact CG1-CD1 3.79Å; V968-L1009 HydrophobicContact CG2-CD1 4.49Å; F972-L1009 HydrophobicContact CB-CD1 4.2Å; F972-L1009 HydrophobicContact CD1-CB 4.4Å; F972-L1009 HydrophobicContact CD1-CD1 3.84Å; F972-L1009 HydrophobicContact CD1-CG 4.48Å; F972-L1009 HydrophobicContact CD2-CD1 4.03Å; F972-L1009 HydrophobicContact CE1-CB 3.89Å; F972-L1009 HydrophobicContact CE1-CD1 4.21Å; F972-L1009 HydrophobicContact CE1-CD2 4.47Å; F972-L1009 HydrophobicContact CE1-CG 4.41Å; F972-L1009 HydrophobicContact CE2-CB 4.01Å; F972-L1009 HydrophobicContact CE2-CD1 4.38Å; F972-L1009 HydrophobicContact CG-CD1 3.75Å; F972-L1009 HydrophobicContact CZ-CB 3.67Å; F972-L1009 HydrophobicContact CZ-CD1 4.47Å; F973-L1009 HydrophobicContact CE1-CD2 4.19Å; F973-L1009 HydrophobicContact CE2-CD2 4.49Å; F973-L1009 HydrophobicContact CZ-CD2 3.61Å; I1001-L1009 HydrophobicContact CB-CB 4.14Å; I1001-L1009 HydrophobicContact CB-CD2 4.12Å; I1001-L1009 HydrophobicContact CD1-CD2 4.06Å; I1001-L1009 WeakPolarHBondContact O-CB 3.41Å; I1001-L1009 PolarHBondContact O-N 3.39Å; L1009-F1012 HydrophobicContact CD1-CD1 4.36Å; L1009-F1012 WeakPolarHBondContact O-CB 3.5Å; L1009-F1012 PolarHBondContact O-N 3.23Å; L1009-F1012 VanDerWaalsContact O-N 3.17Å; L1009-V1013 HydrophobicContact CD1-CG2 3.88Å; L1009-V1013 HydrophobicContact CG-CG2 4.37Å; L1009-V1013 WeakPolarHBondContact O-CB 3.41Å; L1009-V1013 VanDerWaalsContact O-CG2 3.27Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.43Å; L1009-V1013 PolarHBondContact O-N 2.93Å |
| 1010 | L | 93.8 | Very high | 89.1 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 178.2 | 176.6 | 65.1 | 0 | 0 | 0 | 110.5 | I948 L951 N1000 D1008 V1013 I1014 | I948-L1010 HydrophobicContact CG2-CD1 4.21Å; L951-L1010 HydrophobicContact CD1-CD1 3.89Å; L951-L1010 HydrophobicContact CD2-CD1 3.88Å; L951-L1010 HydrophobicContact CG-CD1 4.31Å; N1000-L1010 HydrophobicContact CB-CB 4.49Å; N1000-L1010 WeakPolarHBondContact OD1-CB 3.24Å; N1000-L1010 PolarHBondContact OD1-N 3.44Å; D1008-L1010 WeakPolarHBondContact OD1-CA 3.44Å; D1008-L1010 WeakPolarHBondContact OD1-CB 3.32Å; D1008-L1010 PolarHBondContact OD1-N 2.77Å; L1010-V1013 PolarHBondContact O-N 3.09Å; L1010-I1014 HydrophobicContact CD1-CD1 3.64Å; L1010-I1014 HydrophobicContact CD1-CG1 4.2Å; L1010-I1014 HydrophobicContact CG-CD1 3.9Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.44Å; L1010-I1014 PolarHBondContact O-N 2.84Å |
| 1011 | S | 92.2 | Very high | 88.9 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 36% | 0.357 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.7 | -34.3 | 173.5 | -66 | 0 | 0 | 0 | 0 | 112.1 | D1008 V1013 N1015 | D1008-S1011 VanDerWaalsContact CG-OG 3.25Å; D1008-S1011 PolarHBondContact OD1-N 2.77Å; D1008-S1011 WeakPolarHBondContact OD2-CB 3.48Å; D1008-S1011 PolarHBondContact OD2-OG 3.32Å; S1011-V1013 VanDerWaalsContact C-N 3.26Å; S1011-V1013 PolarHBondContact O-N 2.91Å; S1011-N1015 WeakPolarHBondContact O-CB 3.42Å; S1011-N1015 PolarHBondContact O-N 3.31Å; S1011-N1015 PolarHBondContact O-ND2 3.41Å |
| 1012 | F | 90.9 | Very high | 88.6 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 8% | 0.075 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 172.8 | 178.5 | -82 | 0 | 0 | 0 | 111.8 | L967 V968 D971 F972 D1008 L1009 R1016 | L967-F1012 HydrophobicContact CD2-CE1 3.7Å; L967-F1012 HydrophobicContact CD2-CZ 3.59Å; V968-F1012 HydrophobicContact CG2-CD1 4.25Å; V968-F1012 HydrophobicContact CG2-CE1 4Å; D971-F1012 HydrophobicContact CB-CE2 4.47Å; D971-F1012 HydrophobicContact CB-CZ 3.9Å; F972-F1012 HydrophobicContact CB-CD1 4.3Å; F972-F1012 HydrophobicContact CB-CD2 4.45Å; F972-F1012 HydrophobicContact CB-CE1 4.19Å; F972-F1012 HydrophobicContact CB-CE2 4.33Å; F972-F1012 HydrophobicContact CB-CG 4.44Å; F972-F1012 HydrophobicContact CB-CZ 4.21Å; F972-F1012 HydrophobicContact CD2-CB 3.93Å; F972-F1012 HydrophobicContact CD2-CD1 4.4Å; F972-F1012 AromaticContact CD2-CD2 3.87Å; F972-F1012 HydrophobicContact CD2-CD2 3.87Å; F972-F1012 HydrophobicContact CD2-CE2 4.48Å; F972-F1012 AromaticContact CD2-CG 3.82Å; F972-F1012 HydrophobicContact CD2-CG 3.82Å; F972-F1012 HydrophobicContact CE2-CB 4.3Å; D1008-F1012 WeakPolarHBondContact O-CB 3.47Å; D1008-F1012 PolarHBondContact O-N 3.05Å; L1009-F1012 HydrophobicContact CD1-CD1 4.36Å; L1009-F1012 WeakPolarHBondContact O-CB 3.5Å; L1009-F1012 PolarHBondContact O-N 3.23Å; L1009-F1012 VanDerWaalsContact O-N 3.17Å; F1012-R1016 VanDerWaalsContact CD2-NH1 3.3Å; F1012-R1016 WeakPolarHBondContact O-CD 3.47Å; F1012-R1016 WeakPolarHBondContact O-CG 3.32Å; F1012-R1016 PolarHBondContact O-NH1 3.29Å |
| 1013 | V | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -78.2 | -53.1 | -177.5 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | P837 L951 W960 V968 L1009 L1010 S1011 N1015 R1016 F1017 | P837-V1013 HydrophobicContact CB-CG1 3.96Å; P837-V1013 HydrophobicContact CB-CG2 3.79Å; L951-V1013 HydrophobicContact CD1-CG1 4.41Å; L951-V1013 HydrophobicContact CD2-CG1 4.23Å; W960-V1013 HydrophobicContact CH2-CG1 3.69Å; W960-V1013 HydrophobicContact CZ3-CG1 4.09Å; V968-V1013 HydrophobicContact CG2-CG2 3.93Å; L1009-V1013 HydrophobicContact CD1-CG2 3.88Å; L1009-V1013 HydrophobicContact CG-CG2 4.37Å; L1009-V1013 WeakPolarHBondContact O-CB 3.41Å; L1009-V1013 VanDerWaalsContact O-CG2 3.27Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.43Å; L1009-V1013 PolarHBondContact O-N 2.93Å; L1010-V1013 PolarHBondContact O-N 3.09Å; S1011-V1013 VanDerWaalsContact C-N 3.26Å; S1011-V1013 PolarHBondContact O-N 2.91Å; V1013-N1015 VanDerWaalsContact C-N 3.27Å; V1013-N1015 PolarHBondContact O-N 3.37Å; V1013-R1016 PolarHBondContact O-N 3.46Å; V1013-F1017 HydrophobicContact CB-CD2 4.27Å; V1013-F1017 HydrophobicContact CG1-CD2 3.92Å; V1013-F1017 HydrophobicContact CG2-CD2 4.46Å; V1013-F1017 HydrophobicContact CG2-CE2 4.48Å; V1013-F1017 WeakPolarHBondContact O-CD2 3.49Å; V1013-F1017 PolarHBondContact O-N 3.2Å |
| 1014 | I | 88.7 | Confident | 88.5 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -38.5 | -177.7 | -70.2 | 174.5 | 0 | 0 | 0 | 111.3 | L951 L1010 R1016 | L951-I1014 HydrophobicContact CD1-CG1 4.47Å; L1010-I1014 HydrophobicContact CD1-CD1 3.64Å; L1010-I1014 HydrophobicContact CD1-CG1 4.2Å; L1010-I1014 HydrophobicContact CG-CD1 3.9Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.44Å; L1010-I1014 PolarHBondContact O-N 2.84Å; I1014-R1016 PolarHBondContact O-N 2.72Å |
| 1015 | N | 85.1 | Confident | 88.9 | Confident | 127 Ų | 127 | 57.6 Ų | 57.6 | 68% | 0.679 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 2.2 | 178.2 | -69.3 | -62.7 | 0 | 0 | 0 | 114.6 | S1011 V1013 | S1011-N1015 WeakPolarHBondContact O-CB 3.42Å; S1011-N1015 PolarHBondContact O-N 3.31Å; S1011-N1015 PolarHBondContact O-ND2 3.41Å; V1013-N1015 VanDerWaalsContact C-N 3.27Å; V1013-N1015 PolarHBondContact O-N 3.37Å |
| 1016 | R | 81.2 | Confident | 89.4 | Confident | 110 Ų | 110 | 54.9 Ų | 54.9 | 42% | 0.415 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | -24.8 | -176.9 | -71.3 | -178.9 | 179.1 | 72.8 | 7.9 | 114.9 | F1012 V1013 I1014 | F1012-R1016 VanDerWaalsContact CD2-NH1 3.3Å; F1012-R1016 WeakPolarHBondContact O-CD 3.47Å; F1012-R1016 WeakPolarHBondContact O-CG 3.32Å; F1012-R1016 PolarHBondContact O-NH1 3.29Å; V1013-R1016 PolarHBondContact O-N 3.46Å; I1014-R1016 PolarHBondContact O-N 2.72Å |
| 1017 | F | 83.2 | Confident | 89.8 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 10% | 0.101 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -127.6 | 156.3 | -173.4 | -52.7 | -72.6 | 0 | 0 | 0 | 112.1 | N548 W960 A964 L967 V968 V1013 S1019 | N548-F1017 WeakPolarHBondContact ND2-CE1 3.46Å; W960-F1017 HydrophobicContact CZ3-CB 4.1Å; A964-F1017 VanDerWaalsContact CA-CE1 3.4Å; A964-F1017 HydrophobicContact CB-CD1 3.56Å; A964-F1017 HydrophobicContact CB-CE1 3.37Å; A964-F1017 HydrophobicContact CB-CE2 4.39Å; A964-F1017 HydrophobicContact CB-CG 4.16Å; A964-F1017 HydrophobicContact CB-CZ 3.81Å; L967-F1017 HydrophobicContact CB-CZ 4.12Å; L967-F1017 HydrophobicContact CD1-CE1 4.49Å; L967-F1017 HydrophobicContact CD1-CZ 4.3Å; L967-F1017 HydrophobicContact CD2-CZ 3.98Å; L967-F1017 HydrophobicContact CG-CZ 4.35Å; V968-F1017 HydrophobicContact CG2-CE2 3.9Å; V968-F1017 HydrophobicContact CG2-CZ 4.35Å; V1013-F1017 HydrophobicContact CB-CD2 4.27Å; V1013-F1017 HydrophobicContact CG1-CD2 3.92Å; V1013-F1017 HydrophobicContact CG2-CD2 4.46Å; V1013-F1017 HydrophobicContact CG2-CE2 4.48Å; V1013-F1017 WeakPolarHBondContact O-CD2 3.49Å; V1013-F1017 PolarHBondContact O-N 3.2Å; F1017-S1019 PolarHBondContact O-N 2.86Å |
| 1018 | R | 79.6 | Confident | 90 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 38% | 0.381 | 28% | 0.282 | S | S | . | . | trans | -73.5 | 90.6 | 170.5 | -76.2 | -174.5 | -174.4 | -131.3 | -1.9 | 109.7 | D580 P953 E954 | D580-R1018 IonicContact OD2-NH2 3.46Å; P953-R1018 WeakPolarHBondContact CA-O 3.39Å; E954-R1018 HydrophobicContact CB-CB 4.14Å; E954-R1018 HydrophobicContact CG-CB 4.06Å; E954-R1018 PolarHBondContact N-O 2.92Å; E954-R1018 VanDerWaalsContact OE2-CB 3.27Å; E954-R1018 WeakPolarHBondContact OE2-CB 3.29Å; E954-R1018 WeakPolarHBondContact OE2-CD 3.39Å; E954-R1018 WeakPolarHBondContact OE2-CG 3.43Å | ||
| 1019 | S | 87.7 | Confident | 90.1 | Very high | 19 Ų | 19 | 55 Ų | 55 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.6 | -176.7 | 59.2 | 0 | 0 | 0 | 0 | 112.7 | Q952 W960 F1017 | Q952-S1019 CarbonylContact O-C 3.57Å; Q952-S1019 VanDerWaalsContact O-CA 3.29Å; Q952-S1019 WeakPolarHBondContact O-CA 3.46Å; Q952-S1019 WeakPolarHBondContact O-CB 3.19Å; W960-S1019 VanDerWaalsContact CH2-CB 3.5Å; F1017-S1019 PolarHBondContact O-N 2.86Å |
| 1020 | H | 88.6 | Confident | 90.1 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143.9 | 177.5 | 169.7 | 69.6 | 0 | 0 | 0 | 109.3 | R767 Q952 | R767-H1020 VanDerWaalsContact CD-NE2 3.32Å; R767-H1020 WeakPolarHBondContact CD-NE2 3.42Å; R767-H1020 PolarHBondContact NE-CD2 3.26Å; R767-H1020 PolarHBondContact NE-NE2 2.78Å; Q952-H1020 WeakPolarHBondContact CG-O 3.5Å; Q952-H1020 PolarHBondContact N-O 2.85Å; Q952-H1020 PolarHBondContact O-N 3.25Å; Q952-H1020 VanDerWaalsContact O-O 3.12Å |
| 1021 | Q | 91.1 | Very high | 90 | Very high | 69 Ų | 69 | 59.2 Ų | 59.2 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.7 | 173.6 | -170.5 | 165.8 | 17.6 | 0 | 0 | 109.2 | G950 E1023 | G950-Q1021 WeakPolarHBondContact O-CA 3.47Å; Q1021-E1023 PolarHBondContact O-N 3.47Å |
| 1022 | D | 90.9 | Very high | 90 | Very high | 15 Ų | 15 | 57.2 Ų | 57.2 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | trans | -84 | 94.3 | 178.8 | -151.1 | -59.1 | 0 | 0 | 0 | 108.8 | R767 G950 Q952 C1024 C1025 K1028 | R767-D1022 IonicContact NH2-OD2 2.68Å; R767-D1022 PolarHBondContact NH2-OD2 3.44Å; G950-D1022 PolarHBondContact O-N 3.09Å; Q952-D1022 PolarHBondContact NE2-OD2 2.95Å; D1022-C1024 PolarHBondContact O-N 3.01Å; D1022-C1025 HydrophobicContact CB-CB 4.22Å; D1022-C1025 WeakPolarHBondContact O-CB 3.46Å; D1022-C1025 PolarHBondContact O-N 2.85Å; D1022-K1028 VanDerWaalsContact CG-NZ 3.3Å; D1022-K1028 IonicContact OD1-NZ 3.06Å; D1022-K1028 PolarHBondContact OD1-NZ 2.88Å; D1022-K1028 IonicContact OD2-NZ 3.69Å; D1022-K1028 PolarHBondContact OD2-NZ 2.73Å | ||
| 1023 | E | 90.7 | Very high | 90.1 | Very high | 185 Ų | 185 | 58.1 Ų | 58.1 | 86% | 0.864 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.6 | -179.2 | -62.9 | 179.6 | 168.1 | 0 | 0 | 112.2 | Q1021 C1025 | Q1021-E1023 PolarHBondContact O-N 3.47Å; E1023-C1025 PolarHBondContact O-N 3.36Å |
| 1024 | C | 91.2 | Very high | 90.1 | Very high | 68 Ų | 68 | 65.5 Ų | 65.5 | 46% | 0.459 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -0 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 114.2 | D1022 Q1026 L1027 K1028 | D1022-C1024 PolarHBondContact O-N 3.01Å; C1024-Q1026 VanDerWaalsContact C-N 3.31Å; C1024-Q1026 PolarHBondContact O-N 3.45Å; C1024-L1027 PolarHBondContact O-N 2.81Å; C1024-K1028 WeakPolarHBondContact O-CG 3.41Å; C1024-K1028 PolarHBondContact O-N 2.81Å; C1024-K1028 VanDerWaalsContact O-N 3.12Å |
| 1025 | C | 94.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.4 | -38 | -175 | -171.5 | 0 | 0 | 0 | 0 | 113.8 | L949 G950 D1022 E1023 K1028 L1029 | L949-C1025 HydrophobicContact CD1-CB 4.01Å; L949-C1025 HydrophobicContact CG-CB 4.32Å; G950-C1025 VanDerWaalsContact CA-CB 3.49Å; G950-C1025 PolarHBondContact N-SG 3.29Å; D1022-C1025 HydrophobicContact CB-CB 4.22Å; D1022-C1025 WeakPolarHBondContact O-CB 3.46Å; D1022-C1025 PolarHBondContact O-N 2.85Å; E1023-C1025 PolarHBondContact O-N 3.36Å; C1025-K1028 PolarHBondContact O-N 2.62Å; C1025-L1029 WeakPolarHBondContact O-CG 3.44Å; C1025-L1029 PolarHBondContact O-N 3.11Å; C1025-L1029 VanDerWaalsContact O-N 3.09Å |
| 1026 | Q | 94.2 | Very high | 90.4 | Very high | 39 Ų | 39 | 59.7 Ų | 59.7 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -48.5 | 177.8 | -169.2 | 59.3 | 64.1 | 0 | 0 | 110.5 | L949 S990 C1024 K1028 L1029 D1030 | L949-Q1026 HydrophobicContact CD1-CB 4.49Å; L949-Q1026 HydrophobicContact CD2-CB 4.2Å; S990-Q1026 PolarHBondContact OG-NE2 3.39Å; S990-Q1026 PolarHBondContact OG-OE1 3.01Å; C1024-Q1026 VanDerWaalsContact C-N 3.31Å; C1024-Q1026 PolarHBondContact O-N 3.45Å; Q1026-K1028 PolarHBondContact O-N 2.98Å; Q1026-L1029 CarbonylContact O-C 3.51Å; Q1026-L1029 WeakPolarHBondContact O-CA 3.05Å; Q1026-L1029 WeakPolarHBondContact O-CB 3.09Å; Q1026-L1029 PolarHBondContact O-N 3.26Å; Q1026-D1030 PolarHBondContact NE2-OD1 3.33Å; Q1026-D1030 PolarHBondContact O-N 3.16Å |
| 1027 | L | 94.4 | Very high | 90.7 | Very high | 120 Ų | 120 | 60.3 Ų | 60.3 | 63% | 0.628 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.6 | -34.9 | 178.6 | -58.6 | 175.2 | 0 | 0 | 0 | 112.6 | C1024 A1031 | C1024-L1027 PolarHBondContact O-N 2.81Å; L1027-A1031 VanDerWaalsContact O-CB 3.24Å; L1027-A1031 WeakPolarHBondContact O-CB 3.08Å; L1027-A1031 PolarHBondContact O-N 3.05Å |
| 1028 | K | 94.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 23% | 0.226 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.6 | -42.1 | 174.3 | -64.2 | 171.5 | -178.7 | 179.7 | 0 | 112.2 | F796 D798 D1022 C1024 C1025 Q1026 A1031 M1032 | F796-K1028 WeakPolarHBondContact O-CB 3.43Å; F796-K1028 WeakPolarHBondContact O-CD 3.47Å; D798-K1028 HydrophobicContact CB-CD 4.44Å; D798-K1028 WeakPolarHBondContact OD2-CD 3.32Å; D798-K1028 WeakPolarHBondContact OD2-CE 3.46Å; D798-K1028 IonicContact OD2-NZ 3.12Å; D798-K1028 PolarHBondContact OD2-NZ 2.83Å; D1022-K1028 VanDerWaalsContact CG-NZ 3.3Å; D1022-K1028 IonicContact OD1-NZ 3.06Å; D1022-K1028 PolarHBondContact OD1-NZ 2.88Å; D1022-K1028 IonicContact OD2-NZ 3.69Å; D1022-K1028 PolarHBondContact OD2-NZ 2.73Å; C1024-K1028 WeakPolarHBondContact O-CG 3.41Å; C1024-K1028 PolarHBondContact O-N 2.81Å; C1024-K1028 VanDerWaalsContact O-N 3.12Å; C1025-K1028 PolarHBondContact O-N 2.62Å; Q1026-K1028 PolarHBondContact O-N 2.98Å; K1028-A1031 PolarHBondContact O-N 3.04Å; K1028-M1032 WeakPolarHBondContact O-CB 3.46Å; K1028-M1032 PolarHBondContact O-N 3.24Å |
| 1029 | L | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67 | -39.5 | 175.9 | -70.1 | 167 | 0 | 0 | 0 | 111.5 | L949 I992 F997 C1025 Q1026 M1032 V1033 | L949-L1029 HydrophobicContact CD1-CD1 3.81Å; I992-L1029 HydrophobicContact CD1-CB 3.9Å; F997-L1029 HydrophobicContact CD1-CD1 3.95Å; F997-L1029 HydrophobicContact CD2-CD1 4.47Å; F997-L1029 HydrophobicContact CE1-CD1 3.66Å; F997-L1029 HydrophobicContact CE2-CD1 4.22Å; F997-L1029 HydrophobicContact CG-CD1 4.34Å; F997-L1029 HydrophobicContact CZ-CD1 3.8Å; F997-L1029 HydrophobicContact CZ-CD2 4.12Å; C1025-L1029 WeakPolarHBondContact O-CG 3.44Å; C1025-L1029 PolarHBondContact O-N 3.11Å; C1025-L1029 VanDerWaalsContact O-N 3.09Å; Q1026-L1029 CarbonylContact O-C 3.51Å; Q1026-L1029 WeakPolarHBondContact O-CA 3.05Å; Q1026-L1029 WeakPolarHBondContact O-CB 3.09Å; Q1026-L1029 PolarHBondContact O-N 3.26Å; L1029-M1032 HydrophobicContact CD2-CE 3.8Å; L1029-M1032 WeakPolarHBondContact O-CB 3.38Å; L1029-M1032 PolarHBondContact O-N 3.47Å; L1029-V1033 WeakPolarHBondContact O-CG2 3.29Å; L1029-V1033 PolarHBondContact O-N 2.87Å |
| 1030 | D | 93.8 | Very high | 90 | Very high | 60 Ų | 60 | 63.6 Ų | 63.6 | 32% | 0.321 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 175.1 | -56.9 | -26.5 | 0 | 0 | 0 | 110.7 | Q1026 V1033 M1034 | Q1026-D1030 PolarHBondContact NE2-OD1 3.33Å; Q1026-D1030 PolarHBondContact O-N 3.16Å; D1030-V1033 PolarHBondContact O-N 3.05Å; D1030-M1034 WeakPolarHBondContact O-CG 3.5Å; D1030-M1034 PolarHBondContact O-N 3.06Å |
| 1031 | A | 92.6 | Very high | 88.9 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 41% | 0.405 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1027 K1028 M1034 S1035 | L1027-A1031 VanDerWaalsContact O-CB 3.24Å; L1027-A1031 WeakPolarHBondContact O-CB 3.08Å; L1027-A1031 PolarHBondContact O-N 3.05Å; K1028-A1031 PolarHBondContact O-N 3.04Å; A1031-M1034 PolarHBondContact O-N 2.85Å; A1031-S1035 VanDerWaalsContact O-CB 3.28Å; A1031-S1035 WeakPolarHBondContact O-CB 3.48Å; A1031-S1035 PolarHBondContact O-N 2.82Å; A1031-S1035 PolarHBondContact O-OG 2.89Å |
| 1032 | M | 92.2 | Very high | 86.7 | Confident | 9 Ų | 9 | 74 Ų | 74 | 4% | 0.044 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.6 | -48.1 | 172.5 | 176.2 | -168.7 | 67.1 | 0 | 0 | 110.9 | M793 M810 I992 K1028 L1029 S1035 S1036 | M793-M1032 HydrophobicContact CG-CG 4.31Å; M793-M1032 HydrophobicContact CG-SD 3.65Å; M793-M1032 HydrophobicContact SD-CB 4.45Å; M793-M1032 HydrophobicContact SD-CG 4.09Å; M793-M1032 HydrophobicContact SD-SD 3.93Å; M810-M1032 HydrophobicContact CB-CG 4.21Å; M810-M1032 HydrophobicContact SD-CE 3.88Å; I992-M1032 HydrophobicContact CG2-CE 4.18Å; K1028-M1032 WeakPolarHBondContact O-CB 3.46Å; K1028-M1032 PolarHBondContact O-N 3.24Å; L1029-M1032 HydrophobicContact CD2-CE 3.8Å; L1029-M1032 WeakPolarHBondContact O-CB 3.38Å; L1029-M1032 PolarHBondContact O-N 3.47Å; M1032-S1035 PolarHBondContact O-N 3.11Å; M1032-S1035 PolarHBondContact O-OG 2.97Å; M1032-S1036 PolarHBondContact O-N 2.84Å |
| 1033 | V | 92.5 | Very high | 86.4 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 22% | 0.218 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.4 | 164 | 0 | 0 | 0 | 0 | 111.9 | M810 V815 I992 L1029 D1030 S1035 S1036 | M810-V1033 HydrophobicContact SD-CG2 4.09Å; V815-V1033 HydrophobicContact CG1-CG1 3.62Å; V815-V1033 HydrophobicContact CG1-CG2 4.38Å; V815-V1033 HydrophobicContact CG2-CG1 4.3Å; I992-V1033 HydrophobicContact CD1-CG2 4.14Å; I992-V1033 HydrophobicContact CG1-CG2 4.39Å; I992-V1033 HydrophobicContact CG2-CG2 3.82Å; L1029-V1033 WeakPolarHBondContact O-CG2 3.29Å; L1029-V1033 PolarHBondContact O-N 2.87Å; D1030-V1033 PolarHBondContact O-N 3.05Å; V1033-S1035 PolarHBondContact O-N 2.95Å; V1033-S1036 VanDerWaalsContact O-CB 3.22Å; V1033-S1036 WeakPolarHBondContact O-CB 3.43Å; V1033-S1036 PolarHBondContact O-N 2.9Å; V1033-S1036 VanDerWaalsContact O-N 3.16Å; V1033-S1036 PolarHBondContact O-OG 3.11Å |
| 1034 | M | 91.3 | Very high | 86.2 | Confident | 155 Ų | 155 | 71.2 Ų | 71.2 | 76% | 0.764 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.8 | -26.8 | 176 | -71.4 | -172.6 | -69.9 | 0 | 0 | 113.2 | D1030 A1031 S1036 | D1030-M1034 WeakPolarHBondContact O-CG 3.5Å; D1030-M1034 PolarHBondContact O-N 3.06Å; A1031-M1034 PolarHBondContact O-N 2.85Å; M1034-S1036 VanDerWaalsContact C-N 3.3Å |
| 1035 | S | 89.6 | Confident | 85.9 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.9 | 176.9 | 78 | 0 | 0 | 0 | 0 | 114.7 | A1031 M1032 V1033 | A1031-S1035 VanDerWaalsContact O-CB 3.28Å; A1031-S1035 WeakPolarHBondContact O-CB 3.48Å; A1031-S1035 PolarHBondContact O-N 2.82Å; A1031-S1035 PolarHBondContact O-OG 2.89Å; M1032-S1035 PolarHBondContact O-N 3.11Å; M1032-S1035 PolarHBondContact O-OG 2.97Å; V1033-S1035 PolarHBondContact O-N 2.95Å |
| 1036 | S | 90.4 | Very high | 85.4 | Confident | 24 Ų | 24 | 75.5 Ų | 75.5 | 17% | 0.168 | 40% | 0.395 | C | S | . | . | trans | -61.7 | 144.9 | -174.6 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | M810 M1032 V1033 M1034 | M810-S1036 VanDerWaalsContact O-CA 3.25Å; M810-S1036 WeakPolarHBondContact O-CA 3.29Å; M810-S1036 WeakPolarHBondContact O-CB 3.49Å; M1032-S1036 PolarHBondContact O-N 2.84Å; V1033-S1036 VanDerWaalsContact O-CB 3.22Å; V1033-S1036 WeakPolarHBondContact O-CB 3.43Å; V1033-S1036 PolarHBondContact O-N 2.9Å; V1033-S1036 VanDerWaalsContact O-N 3.16Å; V1033-S1036 PolarHBondContact O-OG 3.11Å; M1034-S1036 VanDerWaalsContact C-N 3.3Å | ||
| 1037 | K | 88.6 | Confident | 84.9 | Confident | 124 Ų | 124 | 77.8 Ų | 77.8 | 54% | 0.539 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -121.9 | 162.3 | -175.5 | -57.3 | -171.7 | -167.4 | 174.3 | 0 | 111.2 | V809 M810 W811 R812 | V809-K1037 HydrophobicContact CG1-CB 4.11Å; V809-K1037 HydrophobicContact CG1-CD 3.8Å; V809-K1037 HydrophobicContact CG1-CG 3.71Å; M810-K1037 PolarHBondContact O-N 2.88Å; W811-K1037 CarbonylContact C-O 3.52Å; W811-K1037 WeakPolarHBondContact CA-O 3.47Å; R812-K1037 PolarHBondContact N-O 2.79Å |
| 1038 | D | 85.7 | Confident | 84.3 | Confident | 98 Ų | 98 | 75 Ų | 75 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | trans | -65.9 | 148.9 | 170.6 | -58.8 | -61.2 | 0 | 0 | 0 | 110.7 | R812 | R812-D1038 WeakPolarHBondContact CD-OD1 3.46Å; R812-D1038 IonicContact CZ-OD1 3.19Å; R812-D1038 IonicContact CZ-OD2 3.8Å; R812-D1038 VanDerWaalsContact CZ-OD2 3.25Å; R812-D1038 IonicContact NE-OD1 2.91Å; R812-D1038 IonicContact NH1-OD1 2.71Å; R812-D1038 PolarHBondContact NH1-OD1 2.99Å; R812-D1038 IonicContact NH1-OD2 3.74Å; R812-D1038 PolarHBondContact NH1-OD2 3.41Å; R812-D1038 IonicContact NH2-OD2 2.71Å | ||
| 1039 | C | 78.8 | Confident | 83.5 | Confident | 20 Ų | 20 | 76.6 Ų | 76.6 | 14% | 0.135 | 41% | 0.406 | C | S | . | . | trans | -72.3 | 123.4 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | W811 Y1041 M1042 | W811-C1039 HydrophobicContact CD2-CB 3.96Å; W811-C1039 HydrophobicContact CE3-CB 4.3Å; W811-C1039 HydrophobicContact CG-CB 4.08Å; C1039-Y1041 PolarHBondContact O-N 3.47Å; C1039-M1042 HydrophobicContact CB-CG 4.09Å; C1039-M1042 HydrophobicContact CB-SD 4.28Å | ||
| 1040 | P | 69.9 | Low | 82.7 | Confident | 94 Ų | 94 | 82.5 Ų | 82.5 | 61% | 0.61 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 16.3 | -178.1 | 34.3 | -37.4 | 0 | 0 | 0 | 113.6 | ||
| 1041 | Y | 64.9 | Low | 81.8 | Confident | 150 Ų | 150 | 84.4 Ų | 84.4 | 59% | 0.588 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136 | 22.4 | -177.2 | -53.2 | -62.2 | 0 | 0 | 0 | 112.4 | R787 C1039 | R787-Y1041 HydrophobicContact CG-CE2 4.36Å; C1039-Y1041 PolarHBondContact O-N 3.47Å |
| 1042 | M | 44.9 | Very low | 80.8 | Confident | 201 Ų | 201 | 87.6 Ų | 87.6 | 99% | 0.99 | 45% | 0.45 | S | S | * | . | trans | -97.4 | 0 | 165.6 | -77.5 | -176.7 | 170.6 | 0 | 0 | 110.1 | D813 C1039 | D813-M1042 HydrophobicContact CB-CE 4.21Å; C1039-M1042 HydrophobicContact CB-CG 4.09Å; C1039-M1042 HydrophobicContact CB-SD 4.28Å |
Retrieved 1,042 of 1,042 residues in 2624 ms
(Link to these results)