| 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 | 35.5 | Very low | 52.6 | Low | 237 Ų | 237 | 140.1 Ų | 140.1 | 100% | 1.167 | 73% | 0.732 | S | S | * | * | 0 | 82.6 | 0 | -88.3 | 174.3 | 142.3 | 0 | 0 | 106 | T3 | M1-T3 PolarHBondContact O-N 3.26Š| |||
| 2 | D | 36.6 | Very low | 56.2 | Low | 165 Ų | 165 | 129.2 Ų | 129.2 | 88% | 0.882 | 67% | 0.674 | S | S | * | * | trans | -79 | 103.9 | 165.6 | -74.2 | -28.3 | 0 | 0 | 0 | 105.4 | Q4 | D2-Q4 PolarHBondContact O-N 3.22Š| ||
| 3 | T | 36.1 | Very low | 59.2 | Low | 130 Ų | 130 | 129.6 Ų | 129.6 | 80% | 0.798 | 67% | 0.671 | S | S | * | * | trans | -52.1 | 108.6 | 168.2 | 25.2 | 0 | 0 | 0 | 0 | 107.3 | M1 E5 | M1-T3 PolarHBondContact O-N 3.26Å; T3-E5 PolarHBondContact O-N 3.43Å | ||
| 4 | Q | 34.5 | Very low | 61.7 | Low | 183 Ų | 183 | 125.8 Ų | 125.8 | 86% | 0.855 | 66% | 0.661 | S | S | * | * | trans | -53 | 107.7 | 160.2 | -74.6 | 175.4 | -15.1 | 0 | 0 | 105.5 | D2 D6 | D2-Q4 PolarHBondContact O-N 3.22Å; Q4-D6 PolarHBondContact O-N 3.24Å | ||
| 5 | E | 41.9 | Very low | 64 | Low | 174 Ų | 174 | 118.7 Ų | 118.7 | 81% | 0.813 | 62% | 0.624 | S | S | * | * | trans | -54.8 | 113.3 | 166 | -75.2 | -179.5 | 158 | 0 | 0 | 105.8 | T3 V7 | T3-E5 PolarHBondContact O-N 3.43Å; E5-V7 PolarHBondContact O-N 3.33Å | ||
| 6 | D | 37.5 | Very low | 66 | Low | 151 Ų | 151 | 114 Ų | 114 | 81% | 0.807 | 61% | 0.613 | S | S | * | * | trans | -53.9 | 95.2 | 168.6 | -85.3 | -41.7 | 0 | 0 | 0 | 107 | Q4 Q8 | Q4-D6 PolarHBondContact O-N 3.24Å; D6-Q8 PolarHBondContact O-N 3.16Å | ||
| 7 | V | 46.4 | Very low | 67.8 | Low | 112 Ų | 112 | 107.6 Ų | 107.6 | 68% | 0.679 | 58% | 0.579 | S | S | * | * | trans | -70.6 | 81.2 | 170.4 | -173.8 | 0 | 0 | 0 | 0 | 105.3 | E5 N9 | E5-V7 PolarHBondContact O-N 3.33Å; V7-N9 PolarHBondContact O-N 3.35Å; V7-N9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | Q | 53.6 | Low | 69.4 | Low | 159 Ų | 159 | 104.4 Ų | 104.4 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | trans | -51 | 122.8 | 164 | -75.8 | -178 | -8.6 | 0 | 0 | 106.6 | D6 V10 | D6-Q8 PolarHBondContact O-N 3.16Å; Q8-V10 WeakPolarHBondContact O-CG2 3.46Å; Q8-V10 PolarHBondContact O-N 3.43Å | ||
| 9 | N | 74.1 | Confident | 70.7 | Confident | 125 Ų | 125 | 103 Ų | 103 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | trans | -63.1 | 89.3 | 175 | -85 | -14 | 0 | 0 | 0 | 108.7 | V7 T11 | V7-N9 PolarHBondContact O-N 3.35Å; V7-N9 VanDerWaalsContact O-N 3.12Å; N9-T11 PolarHBondContact O-N 3.4Å | ||
| 10 | V | 88.4 | Confident | 71.9 | Confident | 41 Ų | 41 | 101 Ų | 101 | 25% | 0.248 | 55% | 0.553 | C | S | . | * | trans | -64.7 | 114.9 | 177.2 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | Q8 L15 P33 K38 | Q8-V10 WeakPolarHBondContact O-CG2 3.46Å; Q8-V10 PolarHBondContact O-N 3.43Å; V10-L15 HydrophobicContact CG1-CD1 4.46Å; V10-L15 HydrophobicContact CG1-CD2 3.52Å; V10-L15 HydrophobicContact CG1-CG 3.93Å; V10-P33 HydrophobicContact CG1-CG 4.18Å; V10-P33 WeakPolarHBondContact O-CD 3.47Å; V10-P33 VanDerWaalsContact O-CG 3.29Å; V10-P33 WeakPolarHBondContact O-CG 3.42Å; V10-K38 HydrophobicContact CB-CD 4.14Å; V10-K38 HydrophobicContact CG1-CD 4.18Å; V10-K38 HydrophobicContact CG1-CG 4.04Å; V10-K38 HydrophobicContact CG2-CD 4.48Å | ||
| 11 | T | 93.7 | Very high | 73 | Confident | 64 Ų | 64 | 96.2 Ų | 96.2 | 39% | 0.393 | 53% | 0.527 | S | S | . | . | trans | -98.3 | 163.4 | 176 | 66.1 | 0 | 0 | 0 | 0 | 111 | N9 E13 S14 L15 | N9-T11 PolarHBondContact O-N 3.4Å; T11-E13 PolarHBondContact O-N 3.24Å; T11-S14 PolarHBondContact N-OG 3.08Å; T11-S14 PolarHBondContact O-N 2.9Å; T11-S14 VanDerWaalsContact O-N 3.15Å; T11-S14 PolarHBondContact O-OG 3.45Å; T11-S14 PolarHBondContact OG1-N 3.16Å; T11-S14 VanDerWaalsContact OG1-N 3.09Å; T11-L15 WeakPolarHBondContact O-CG 3.25Å; T11-L15 PolarHBondContact O-N 3.28Å | ||
| 12 | F | 95.5 | Very high | 75.9 | Confident | 9 Ų | 9 | 85.3 Ų | 85.3 | 4% | 0.039 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -40.6 | 172 | -74.1 | -78.2 | 0 | 0 | 0 | 112.5 | S14 L15 V17 C25 W30 P33 I41 I66 | F12-S14 VanDerWaalsContact C-N 3.33Å; F12-S14 PolarHBondContact O-N 3.35Å; F12-L15 WeakPolarHBondContact O-CB 3.45Å; F12-L15 PolarHBondContact O-N 2.79Å; F12-L15 VanDerWaalsContact O-N 3.08Å; F12-V17 HydrophobicContact CB-CB 4.21Å; F12-V17 HydrophobicContact CB-CG2 4.26Å; F12-V17 HydrophobicContact CD1-CG2 4.43Å; F12-V17 VanDerWaalsContact O-CB 3.24Å; F12-V17 WeakPolarHBondContact O-CB 3.48Å; F12-V17 VanDerWaalsContact O-CG2 3.25Å; F12-V17 WeakPolarHBondContact O-CG2 3.37Å; F12-V17 PolarHBondContact O-N 3.08Å; F12-C25 HydrophobicContact CD2-CB 4.18Å; F12-C25 HydrophobicContact CE2-CB 4.19Å; F12-W30 HydrophobicContact CE2-CB 4.02Å; F12-W30 VanDerWaalsContact CE2-O 3.27Å; F12-W30 WeakPolarHBondContact CE2-O 3.46Å; F12-W30 HydrophobicContact CZ-CB 4.17Å; F12-P33 HydrophobicContact CD1-CB 4.13Å; F12-P33 HydrophobicContact CE1-CB 3.8Å; F12-P33 HydrophobicContact CE2-CB 4.32Å; F12-P33 HydrophobicContact CZ-CB 3.92Å; F12-I41 HydrophobicContact CD1-CD1 4.18Å; F12-I41 HydrophobicContact CE1-CD1 4.15Å; F12-I66 HydrophobicContact CD1-CD1 3.91Å; F12-I66 HydrophobicContact CE1-CD1 3.6Å |
| 13 | E | 95.2 | Very high | 78.6 | Confident | 135 Ų | 135 | 81.2 Ų | 81.2 | 63% | 0.631 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -60.6 | -42.8 | 176.6 | -174.7 | 172 | -162.6 | 0 | 0 | 111.5 | T11 L15 G16 C22 | T11-E13 PolarHBondContact O-N 3.24Å; E13-L15 PolarHBondContact O-N 2.91Å; E13-G16 PolarHBondContact O-N 3.5Å; E13-C22 PolarHBondContact N-SG 3.31Å |
| 14 | S | 95 | Very high | 81.2 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 53% | 0.531 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -64.4 | -19.8 | 176.5 | 75.8 | 0 | 0 | 0 | 0 | 114.1 | T11 F12 G16 | T11-S14 PolarHBondContact N-OG 3.08Å; T11-S14 PolarHBondContact O-N 2.9Å; T11-S14 VanDerWaalsContact O-N 3.15Å; T11-S14 PolarHBondContact O-OG 3.45Å; T11-S14 PolarHBondContact OG1-N 3.16Å; T11-S14 VanDerWaalsContact OG1-N 3.09Å; F12-S14 VanDerWaalsContact C-N 3.33Å; F12-S14 PolarHBondContact O-N 3.35Å; S14-G16 VanDerWaalsContact C-N 3.29Å |
| 15 | L | 95.9 | Very high | 84 | Confident | 20 Ų | 20 | 66.5 Ų | 66.5 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -83 | -2.6 | 173.9 | -60.6 | 177.3 | 0 | 0 | 0 | 113.2 | V10 T11 F12 E13 V17 P33 I41 P42 | V10-L15 HydrophobicContact CG1-CD1 4.46Å; V10-L15 HydrophobicContact CG1-CD2 3.52Å; V10-L15 HydrophobicContact CG1-CG 3.93Å; T11-L15 WeakPolarHBondContact O-CG 3.25Å; T11-L15 PolarHBondContact O-N 3.28Å; F12-L15 WeakPolarHBondContact O-CB 3.45Å; F12-L15 PolarHBondContact O-N 2.79Å; F12-L15 VanDerWaalsContact O-N 3.08Å; E13-L15 PolarHBondContact O-N 2.91Å; L15-V17 HydrophobicContact CB-CG2 4.5Å; L15-P33 HydrophobicContact CD1-CB 3.68Å; L15-P33 HydrophobicContact CD1-CG 3.78Å; L15-I41 HydrophobicContact CB-CG2 4.14Å; L15-I41 HydrophobicContact CD1-CB 4.37Å; L15-I41 HydrophobicContact CD1-CD1 4.21Å; L15-P42 HydrophobicContact CB-CG 4.2Å; L15-P42 HydrophobicContact CD2-CG 3.7Å; L15-P42 HydrophobicContact CG-CG 4.49Å |
| 16 | G | 95.7 | Very high | 86.3 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 44% | 0.443 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 16.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E13 S14 L45 Q70 | E13-G16 PolarHBondContact O-N 3.5Å; S14-G16 VanDerWaalsContact C-N 3.29Å; G16-L45 WeakPolarHBondContact O-CD1 3.15Å; G16-Q70 PolarHBondContact O-NE2 2.79Å |
| 17 | V | 97 | Very high | 88.7 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | trans | -79 | 131.4 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | F12 L15 L21 C22 I41 I66 | F12-V17 HydrophobicContact CB-CB 4.21Å; F12-V17 HydrophobicContact CB-CG2 4.26Å; F12-V17 HydrophobicContact CD1-CG2 4.43Å; F12-V17 VanDerWaalsContact O-CB 3.24Å; F12-V17 WeakPolarHBondContact O-CB 3.48Å; F12-V17 VanDerWaalsContact O-CG2 3.25Å; F12-V17 WeakPolarHBondContact O-CG2 3.37Å; F12-V17 PolarHBondContact O-N 3.08Å; L15-V17 HydrophobicContact CB-CG2 4.5Å; V17-L21 HydrophobicContact CG1-CB 3.59Å; V17-L21 HydrophobicContact CG1-CD1 4.45Å; V17-C22 PolarHBondContact O-SG 2.69Å; V17-I41 HydrophobicContact CG2-CG2 3.74Å; V17-I66 HydrophobicContact CB-CG2 4.33Å; V17-I66 HydrophobicContact CG1-CG2 3.66Å; V17-I66 HydrophobicContact CG2-CG2 3.66Å | ||
| 18 | T | 95.8 | Very high | 90.5 | Very high | 49 Ų | 49 | 61.9 Ų | 61.9 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | trans | -60.4 | 149.1 | 177.8 | 53 | 0 | 0 | 0 | 0 | 112.4 | V20 L21 C22 Q70 | T18-V20 VanDerWaalsContact C-N 3.26Å; T18-V20 PolarHBondContact O-N 3.44Å; T18-L21 PolarHBondContact O-N 3.38Å; T18-C22 PolarHBondContact O-N 2.9Å; T18-C22 PolarHBondContact O-SG 2.77Å; T18-Q70 HydrophobicContact CG2-CG 4.07Å; T18-Q70 PolarHBondContact OG1-OE1 3.39Å | ||
| 19 | S | 94.9 | Very high | 92.1 | Very high | 78 Ų | 78 | 56.9 Ų | 56.9 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -53.2 | -40.8 | -179.2 | 54 | 0 | 0 | 0 | 0 | 113.3 | L21 C22 D23 | S19-L21 VanDerWaalsContact C-N 3.31Å; S19-L21 PolarHBondContact O-N 2.91Å; S19-C22 WeakPolarHBondContact O-CB 3.47Å; S19-C22 PolarHBondContact O-N 3.16Å; S19-D23 PolarHBondContact O-N 3.06Å |
| 20 | V | 94.4 | Very high | 92.7 | Very high | 63 Ų | 63 | 53.7 Ų | 53.7 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 177.6 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | T18 A24 C104 I105 | T18-V20 VanDerWaalsContact C-N 3.26Å; T18-V20 PolarHBondContact O-N 3.44Å; V20-A24 PolarHBondContact O-N 3.43Å; V20-C104 HydrophobicContact CG1-CB 4.34Å; V20-I105 HydrophobicContact CG1-CG2 4.14Å |
| 21 | L | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -79.2 | -32 | 178.9 | -67.7 | 176.4 | 0 | 0 | 0 | 112.1 | V17 T18 S19 D23 A24 C25 I66 L69 Q70 L73 | V17-L21 HydrophobicContact CG1-CB 3.59Å; V17-L21 HydrophobicContact CG1-CD1 4.45Å; T18-L21 PolarHBondContact O-N 3.38Å; S19-L21 VanDerWaalsContact C-N 3.31Å; S19-L21 PolarHBondContact O-N 2.91Å; L21-D23 VanDerWaalsContact C-N 3.32Å; L21-A24 PolarHBondContact O-N 2.91Å; L21-C25 PolarHBondContact O-N 3.41Å; L21-C25 PolarHBondContact O-SG 2.91Å; L21-I66 HydrophobicContact CD1-CG2 4.35Å; L21-L69 HydrophobicContact CD1-CB 4.2Å; L21-L69 HydrophobicContact CD2-CB 3.96Å; L21-L69 HydrophobicContact CD2-CD1 4.34Å; L21-Q70 HydrophobicContact CD1-CB 3.74Å; L21-L73 HydrophobicContact CD1-CD1 4.39Å; L21-L73 HydrophobicContact CG-CD1 4.2Å |
| 22 | C | 95.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 171.3 | -72.9 | 0 | 0 | 0 | 0 | 111.6 | E13 V17 T18 S19 C25 K26 | E13-C22 PolarHBondContact N-SG 3.31Å; V17-C22 PolarHBondContact O-SG 2.69Å; T18-C22 PolarHBondContact O-N 2.9Å; T18-C22 PolarHBondContact O-SG 2.77Å; S19-C22 WeakPolarHBondContact O-CB 3.47Å; S19-C22 PolarHBondContact O-N 3.16Å; C22-C25 WeakPolarHBondContact O-CB 3.48Å; C22-C25 PolarHBondContact O-N 3.4Å; C22-K26 WeakPolarHBondContact O-CG 3.43Å; C22-K26 PolarHBondContact O-N 3.4Å |
| 23 | D | 93.4 | Very high | 92.1 | Very high | 79 Ų | 79 | 61.9 Ų | 61.9 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 177.2 | -70.2 | -20.3 | 0 | 0 | 0 | 111.8 | S19 L21 C25 K26 Q27 | S19-D23 PolarHBondContact O-N 3.06Å; L21-D23 VanDerWaalsContact C-N 3.32Å; D23-C25 VanDerWaalsContact C-N 3.34Å; D23-C25 PolarHBondContact O-N 3.3Å; D23-K26 PolarHBondContact O-N 3.16Å; D23-K26 IonicContact OD1-NZ 3.36Å; D23-Q27 WeakPolarHBondContact O-CG 3.15Å; D23-Q27 PolarHBondContact O-N 3.49Å |
| 24 | A | 92.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V20 L21 K26 Q27 L28 L101 | V20-A24 PolarHBondContact O-N 3.43Å; L21-A24 PolarHBondContact O-N 2.91Å; A24-K26 PolarHBondContact O-N 3.39Å; A24-Q27 PolarHBondContact O-N 3.42Å; A24-L28 WeakPolarHBondContact O-CG 3.31Å; A24-L28 PolarHBondContact O-N 3.5Å; A24-L28 VanDerWaalsContact O-N 3.15Å; A24-L101 HydrophobicContact CB-CD2 4.38Å |
| 25 | C | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | 175.1 | -68 | 0 | 0 | 0 | 0 | 111.6 | F12 L21 C22 D23 Q27 L28 G29 W30 | F12-C25 HydrophobicContact CD2-CB 4.18Å; F12-C25 HydrophobicContact CE2-CB 4.19Å; L21-C25 PolarHBondContact O-N 3.41Å; L21-C25 PolarHBondContact O-SG 2.91Å; C22-C25 WeakPolarHBondContact O-CB 3.48Å; C22-C25 PolarHBondContact O-N 3.4Å; D23-C25 VanDerWaalsContact C-N 3.34Å; D23-C25 PolarHBondContact O-N 3.3Å; C25-Q27 PolarHBondContact O-N 3.38Å; C25-L28 CarbonylContact O-C 3.56Å; C25-L28 PolarHBondContact O-N 3.26Å; C25-L28 VanDerWaalsContact O-N 3.13Å; C25-G29 PolarHBondContact O-N 3.47Å; C25-W30 HydrophobicContact CB-CB 4.08Å; C25-W30 HydrophobicContact CB-CE3 4.39Å; C25-W30 WeakPolarHBondContact O-CB 3.41Å; C25-W30 PolarHBondContact O-N 2.79Å |
| 26 | K | 90.6 | Very high | 91.4 | Very high | 133 Ų | 133 | 60.6 Ų | 60.6 | 58% | 0.578 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.7 | -42.4 | 176.7 | -70.2 | 171.4 | -170.9 | 162.6 | 0 | 112.3 | C22 D23 A24 L28 G29 | C22-K26 WeakPolarHBondContact O-CG 3.43Å; C22-K26 PolarHBondContact O-N 3.4Å; D23-K26 PolarHBondContact O-N 3.16Å; D23-K26 IonicContact OD1-NZ 3.36Å; A24-K26 PolarHBondContact O-N 3.39Å; K26-L28 PolarHBondContact O-N 2.9Å; K26-G29 PolarHBondContact O-N 2.93Å |
| 27 | Q | 87.5 | Confident | 91.4 | Very high | 147 Ų | 147 | 58.8 Ų | 58.8 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.8 | -29 | 177 | -71.5 | 175.5 | 14.5 | 0 | 0 | 112.6 | D23 A24 C25 G29 | D23-Q27 WeakPolarHBondContact O-CG 3.15Å; D23-Q27 PolarHBondContact O-N 3.49Å; A24-Q27 PolarHBondContact O-N 3.42Å; C25-Q27 PolarHBondContact O-N 3.38Å; Q27-G29 VanDerWaalsContact C-N 3.27Å |
| 28 | L | 85.2 | Confident | 91.3 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 0.5 | 173.4 | -61.7 | 172.6 | 0 | 0 | 0 | 113.9 | A24 C25 K26 W30 A100 L101 | A24-L28 WeakPolarHBondContact O-CG 3.31Å; A24-L28 PolarHBondContact O-N 3.5Å; A24-L28 VanDerWaalsContact O-N 3.15Å; C25-L28 CarbonylContact O-C 3.56Å; C25-L28 PolarHBondContact O-N 3.26Å; C25-L28 VanDerWaalsContact O-N 3.13Å; K26-L28 PolarHBondContact O-N 2.9Å; L28-W30 VanDerWaalsContact C-N 3.32Å; L28-W30 HydrophobicContact CB-CD2 4.38Å; L28-W30 HydrophobicContact CB-CG 4.3Å; L28-W30 HydrophobicContact CD1-CZ2 4.43Å; L28-A100 HydrophobicContact CD1-CB 4.12Å; L28-A100 HydrophobicContact CD2-CB 3.54Å; L28-A100 HydrophobicContact CG-CB 4.44Å; L28-L101 HydrophobicContact CD1-CD2 3.58Å; L28-L101 HydrophobicContact CD1-CG 3.76Å |
| 29 | G | 86 | Confident | 91.2 | Very high | 54 Ų | 54 | 63.7 Ų | 63.7 | 56% | 0.557 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 21.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | C25 K26 Q27 E31 | C25-G29 PolarHBondContact O-N 3.47Å; K26-G29 PolarHBondContact O-N 2.93Å; Q27-G29 VanDerWaalsContact C-N 3.27Å; G29-E31 PolarHBondContact O-N 3.2Å |
| 30 | W | 87.6 | Confident | 91.3 | Very high | 58 Ų | 58 | 60 Ų | 60 | 22% | 0.22 | 30% | 0.301 | C | S | . | . | trans | -90.5 | 79.2 | 174 | -59.5 | -0.3 | 0 | 0 | 0 | 108.8 | F12 C25 L28 I66 L101 | F12-W30 HydrophobicContact CE2-CB 4.02Å; F12-W30 VanDerWaalsContact CE2-O 3.27Å; F12-W30 WeakPolarHBondContact CE2-O 3.46Å; F12-W30 HydrophobicContact CZ-CB 4.17Å; C25-W30 HydrophobicContact CB-CB 4.08Å; C25-W30 HydrophobicContact CB-CE3 4.39Å; C25-W30 WeakPolarHBondContact O-CB 3.41Å; C25-W30 PolarHBondContact O-N 2.79Å; L28-W30 VanDerWaalsContact C-N 3.32Å; L28-W30 HydrophobicContact CB-CD2 4.38Å; L28-W30 HydrophobicContact CB-CG 4.3Å; L28-W30 HydrophobicContact CD1-CZ2 4.43Å; W30-I66 HydrophobicContact CZ3-CD1 4.36Å; W30-L101 HydrophobicContact CE3-CD2 4.3Å; W30-L101 HydrophobicContact CH2-CD1 3.97Å; W30-L101 HydrophobicContact CH2-CD2 4.39Å; W30-L101 HydrophobicContact CH2-CG 4.37Å; W30-L101 HydrophobicContact CZ3-CD1 3.86Å; W30-L101 HydrophobicContact CZ3-CD2 3.81Å; W30-L101 HydrophobicContact CZ3-CG 4.22Å | ||
| 31 | E | 82.8 | Confident | 91.5 | Very high | 166 Ų | 166 | 57 Ų | 57 | 78% | 0.776 | 28% | 0.283 | S | S | * | . | trans | -70.9 | -40 | -177.4 | -63.1 | -174.9 | 167.9 | 0 | 0 | 112 | G29 | G29-E31 PolarHBondContact O-N 3.2Š| ||
| 32 | E | 89.7 | Confident | 91.6 | Very high | 114 Ų | 114 | 58.9 Ų | 58.9 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -128.5 | 142 | -179.8 | -65.5 | -173.3 | 172.2 | 0 | 0 | 112.1 | ||
| 33 | P | 93.2 | Very high | 91.7 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | trans | -66.2 | 136.9 | 174.9 | 26.2 | -32.2 | 0 | 0 | 0 | 111.3 | V10 F12 L15 Q37 K38 | V10-P33 HydrophobicContact CG1-CG 4.18Å; V10-P33 WeakPolarHBondContact O-CD 3.47Å; V10-P33 VanDerWaalsContact O-CG 3.29Å; V10-P33 WeakPolarHBondContact O-CG 3.42Å; F12-P33 HydrophobicContact CD1-CB 4.13Å; F12-P33 HydrophobicContact CE1-CB 3.8Å; F12-P33 HydrophobicContact CE2-CB 4.32Å; F12-P33 HydrophobicContact CZ-CB 3.92Å; L15-P33 HydrophobicContact CD1-CB 3.68Å; L15-P33 HydrophobicContact CD1-CG 3.78Å; P33-Q37 VanDerWaalsContact CA-OE1 3.29Å; P33-Q37 HydrophobicContact CB-CB 3.98Å; P33-K38 HydrophobicContact CB-CG 3.95Å; P33-K38 HydrophobicContact CG-CG 3.83Å; P33-K38 WeakPolarHBondContact O-CE 3.26Å | ||
| 34 | T | 90.3 | Very high | 91.9 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 31% | 0.307 | 28% | 0.282 | S | S | . | . | trans | -70.3 | 165.6 | 173.6 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | V36 Q37 K38 S58 | T34-V36 VanDerWaalsContact C-N 3.3Å; T34-V36 PolarHBondContact O-N 3.4Å; T34-Q37 WeakPolarHBondContact O-CA 3.14Å; T34-Q37 WeakPolarHBondContact O-CB 3.45Å; T34-Q37 PolarHBondContact O-N 3.12Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.23Å; T34-K38 WeakPolarHBondContact O-CG 3.49Å; T34-K38 PolarHBondContact O-N 2.96Å; T34-S58 WeakPolarHBondContact CB-O 3.46Å; T34-S58 PolarHBondContact OG1-O 3.49Å | ||
| 35 | K | 90.2 | Very high | 92.1 | Very high | 153 Ų | 153 | 58.7 Ų | 58.7 | 67% | 0.665 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -51.1 | -46.6 | 179.1 | -66.5 | -175.1 | 179.3 | -175.8 | 0 | 113 | Q37 K38 E39 V214 | K35-Q37 VanDerWaalsContact C-N 3.29Å; K35-Q37 PolarHBondContact O-N 3.11Å; K35-K38 PolarHBondContact O-N 3.21Å; K35-E39 PolarHBondContact O-N 2.95Å; K35-E39 VanDerWaalsContact O-N 3.17Å; K35-V214 HydrophobicContact CB-CG1 3.76Å; K35-V214 HydrophobicContact CB-CG2 4.36Å; K35-V214 HydrophobicContact CD-CG1 4.08Å |
| 36 | V | 90.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.3 | -33.1 | 178.9 | 75.7 | 0 | 0 | 0 | 0 | 111.9 | T34 A40 A54 S58 K60 A63 Y190 I212 V214 | T34-V36 VanDerWaalsContact C-N 3.3Å; T34-V36 PolarHBondContact O-N 3.4Å; V36-A40 WeakPolarHBondContact O-CB 3.4Å; V36-A40 PolarHBondContact O-N 2.8Å; V36-A54 HydrophobicContact CB-CB 4.46Å; V36-A54 HydrophobicContact CG2-CB 4.01Å; V36-S58 WeakPolarHBondContact CG1-O 3.48Å; V36-K60 HydrophobicContact CG1-CG 4.43Å; V36-A63 HydrophobicContact CG1-CB 4.23Å; V36-Y190 HydrophobicContact CG2-CE1 4.12Å; V36-I212 HydrophobicContact CG2-CG2 4.43Å; V36-V214 HydrophobicContact CB-CG2 3.79Å; V36-V214 HydrophobicContact CG2-CG2 4.09Å |
| 37 | Q | 95.1 | Very high | 92.5 | Very high | 5 Ų | 5 | 64 Ų | 64 | 2% | 0.023 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.7 | -41.8 | 176.9 | -68.1 | 167.9 | -6 | 0 | 0 | 111.4 | P33 T34 K35 E39 A40 I41 G59 A63 | P33-Q37 VanDerWaalsContact CA-OE1 3.29Å; P33-Q37 HydrophobicContact CB-CB 3.98Å; T34-Q37 WeakPolarHBondContact O-CA 3.14Å; T34-Q37 WeakPolarHBondContact O-CB 3.45Å; T34-Q37 PolarHBondContact O-N 3.12Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.23Å; K35-Q37 VanDerWaalsContact C-N 3.29Å; K35-Q37 PolarHBondContact O-N 3.11Å; Q37-E39 VanDerWaalsContact C-N 3.28Å; Q37-E39 PolarHBondContact O-N 3.18Å; Q37-A40 PolarHBondContact O-N 3.44Å; Q37-I41 HydrophobicContact CB-CD1 3.81Å; Q37-I41 HydrophobicContact CB-CG1 4.41Å; Q37-I41 HydrophobicContact CG-CD1 4.35Å; Q37-I41 VanDerWaalsContact O-CB 3.29Å; Q37-I41 WeakPolarHBondContact O-CB 3.37Å; Q37-I41 VanDerWaalsContact O-CG1 3.29Å; Q37-I41 WeakPolarHBondContact O-CG1 3.32Å; Q37-I41 PolarHBondContact O-N 3.14Å; Q37-G59 PolarHBondContact NE2-O 2.93Å; Q37-A63 HydrophobicContact CG-CB 3.86Å |
| 38 | K | 95.4 | Very high | 93 | Very high | 69 Ų | 69 | 61.4 Ų | 61.4 | 30% | 0.3 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 175.6 | -68.7 | -176.3 | -175 | -171.7 | 0 | 111.9 | V10 P33 T34 K35 P42 | V10-K38 HydrophobicContact CB-CD 4.14Å; V10-K38 HydrophobicContact CG1-CD 4.18Å; V10-K38 HydrophobicContact CG1-CG 4.04Å; V10-K38 HydrophobicContact CG2-CD 4.48Å; P33-K38 HydrophobicContact CB-CG 3.95Å; P33-K38 HydrophobicContact CG-CG 3.83Å; P33-K38 WeakPolarHBondContact O-CE 3.26Å; T34-K38 WeakPolarHBondContact O-CG 3.49Å; T34-K38 PolarHBondContact O-N 2.96Å; K35-K38 PolarHBondContact O-N 3.21Å; K38-P42 WeakPolarHBondContact O-CD 3.47Å; K38-P42 WeakPolarHBondContact O-CG 3.43Å |
| 39 | E | 94.6 | Very high | 93.6 | Very high | 90 Ų | 90 | 58.9 Ų | 58.9 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -81.4 | -40.5 | 179.2 | -67.9 | 179.7 | -147.4 | 0 | 0 | 112.6 | K35 Q37 V43 I212 | K35-E39 PolarHBondContact O-N 2.95Å; K35-E39 VanDerWaalsContact O-N 3.17Å; Q37-E39 VanDerWaalsContact C-N 3.28Å; Q37-E39 PolarHBondContact O-N 3.18Å; E39-V43 WeakPolarHBondContact O-CG2 3.42Å; E39-I212 HydrophobicContact CB-CD1 4.38Å; E39-I212 HydrophobicContact CB-CG2 3.73Å; E39-I212 WeakPolarHBondContact OE2-CG2 3.36Å |
| 40 | A | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -84 | -38 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V36 Q37 V43 A44 I50 A63 I212 | V36-A40 WeakPolarHBondContact O-CB 3.4Å; V36-A40 PolarHBondContact O-N 2.8Å; Q37-A40 PolarHBondContact O-N 3.44Å; A40-V43 PolarHBondContact O-N 2.87Å; A40-A44 VanDerWaalsContact O-CB 3.25Å; A40-A44 WeakPolarHBondContact O-CB 3.49Å; A40-A44 PolarHBondContact O-N 2.97Å; A40-I50 HydrophobicContact CB-CD1 4.19Å; A40-I50 WeakPolarHBondContact O-CD1 3.45Å; A40-A63 HydrophobicContact CB-CB 4.08Å; A40-I212 HydrophobicContact CB-CD1 3.55Å |
| 41 | I | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.2 | -50.1 | -174.5 | -66.8 | 171.9 | 0 | 0 | 0 | 111.2 | F12 L15 V17 Q37 V43 A44 L45 I66 | F12-I41 HydrophobicContact CD1-CD1 4.18Å; F12-I41 HydrophobicContact CE1-CD1 4.15Å; L15-I41 HydrophobicContact CB-CG2 4.14Å; L15-I41 HydrophobicContact CD1-CB 4.37Å; L15-I41 HydrophobicContact CD1-CD1 4.21Å; V17-I41 HydrophobicContact CG2-CG2 3.74Å; Q37-I41 HydrophobicContact CB-CD1 3.81Å; Q37-I41 HydrophobicContact CB-CG1 4.41Å; Q37-I41 HydrophobicContact CG-CD1 4.35Å; Q37-I41 VanDerWaalsContact O-CB 3.29Å; Q37-I41 WeakPolarHBondContact O-CB 3.37Å; Q37-I41 VanDerWaalsContact O-CG1 3.29Å; Q37-I41 WeakPolarHBondContact O-CG1 3.32Å; Q37-I41 PolarHBondContact O-N 3.14Å; I41-V43 PolarHBondContact O-N 3.2Å; I41-A44 PolarHBondContact O-N 2.83Å; I41-A44 VanDerWaalsContact O-N 3.16Å; I41-L45 HydrophobicContact CG2-CD1 3.83Å; I41-L45 HydrophobicContact CG2-CG 4.17Å; I41-L45 VanDerWaalsContact O-CG 3.29Å; I41-L45 WeakPolarHBondContact O-CG 3.21Å; I41-L45 PolarHBondContact O-N 3.01Å; I41-I66 HydrophobicContact CD1-CB 4.45Å; I41-I66 HydrophobicContact CD1-CD1 3.88Å; I41-I66 HydrophobicContact CD1-CG2 4.46Å |
| 42 | P | 97.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 25% | 0.253 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.5 | -30.3 | -179.8 | -24.1 | 35.5 | 0 | 0 | 0 | 113.7 | L15 K38 K46 | L15-P42 HydrophobicContact CB-CG 4.2Å; L15-P42 HydrophobicContact CD2-CG 3.7Å; L15-P42 HydrophobicContact CG-CG 4.49Å; K38-P42 WeakPolarHBondContact O-CD 3.47Å; K38-P42 WeakPolarHBondContact O-CG 3.43Å; P42-K46 VanDerWaalsContact O-CG 3.32Å; P42-K46 WeakPolarHBondContact O-CG 3.42Å; P42-K46 PolarHBondContact O-N 3.49Å |
| 43 | V | 97.2 | Very high | 95.1 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.7 | -45.1 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | E39 A40 I41 L45 K46 R48 I50 V210 I212 | E39-V43 WeakPolarHBondContact O-CG2 3.42Å; A40-V43 PolarHBondContact O-N 2.87Å; I41-V43 PolarHBondContact O-N 3.2Å; V43-L45 VanDerWaalsContact C-N 3.32Å; V43-L45 PolarHBondContact O-N 3.44Å; V43-K46 WeakPolarHBondContact O-CB 3.43Å; V43-K46 PolarHBondContact O-N 3.33Å; V43-K46 VanDerWaalsContact O-N 3.09Å; V43-R48 HydrophobicContact CG1-CB 3.95Å; V43-I50 HydrophobicContact CB-CD1 4.21Å; V43-I50 HydrophobicContact CG1-CD1 3.97Å; V43-I50 HydrophobicContact CG1-CG1 3.79Å; V43-V210 HydrophobicContact CG1-CB 3.62Å; V43-V210 HydrophobicContact CG1-CG1 3.97Å; V43-V210 HydrophobicContact CG1-CG2 3.66Å; V43-V210 HydrophobicContact CG2-CG1 4.14Å; V43-I212 HydrophobicContact CG2-CD1 4.49Å |
| 44 | A | 97.7 | Very high | 94.5 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A40 I41 K46 D47 I50 P67 Y188 | A40-A44 VanDerWaalsContact O-CB 3.25Å; A40-A44 WeakPolarHBondContact O-CB 3.49Å; A40-A44 PolarHBondContact O-N 2.97Å; I41-A44 PolarHBondContact O-N 2.83Å; I41-A44 VanDerWaalsContact O-N 3.16Å; A44-K46 PolarHBondContact O-N 3.47Å; A44-D47 PolarHBondContact O-N 2.9Å; A44-I50 HydrophobicContact CB-CD1 3.74Å; A44-P67 HydrophobicContact CB-CB 3.51Å; A44-P67 HydrophobicContact CB-CG 3.5Å; A44-P67 VanDerWaalsContact CB-CG 3.5Å; A44-Y188 HydrophobicContact CB-CE1 4.27Å; A44-Y188 HydrophobicContact CB-CE2 4.43Å; A44-Y188 WeakPolarHBondContact CB-OH 3.43Å; A44-Y188 PolarHBondContact O-OH 3.06Å |
| 45 | L | 97.1 | Very high | 93.6 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 28% | 0.283 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -16.7 | 175.8 | -66.5 | -179.5 | 0 | 0 | 0 | 113.6 | G16 I41 V43 D47 P67 Q70 | G16-L45 WeakPolarHBondContact O-CD1 3.15Å; I41-L45 HydrophobicContact CG2-CD1 3.83Å; I41-L45 HydrophobicContact CG2-CG 4.17Å; I41-L45 VanDerWaalsContact O-CG 3.29Å; I41-L45 WeakPolarHBondContact O-CG 3.21Å; I41-L45 PolarHBondContact O-N 3.01Å; V43-L45 VanDerWaalsContact C-N 3.32Å; V43-L45 PolarHBondContact O-N 3.44Å; L45-D47 VanDerWaalsContact C-N 3.25Å; L45-P67 HydrophobicContact CD2-CB 3.9Å; L45-P67 HydrophobicContact CG-CB 4.44Å; L45-Q70 HydrophobicContact CD2-CB 4.26Å; L45-Q70 HydrophobicContact CD2-CG 4.23Å; L45-Q70 VanDerWaalsContact CD2-NE2 3.27Å |
| 46 | K | 96.3 | Very high | 92.4 | Very high | 159 Ų | 159 | 37 Ų | 37 | 69% | 0.691 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 17.6 | 170.4 | -69.6 | 173.6 | -175.7 | 178 | 0 | 112.7 | P42 V43 A44 R48 | P42-K46 VanDerWaalsContact O-CG 3.32Å; P42-K46 WeakPolarHBondContact O-CG 3.42Å; P42-K46 PolarHBondContact O-N 3.49Å; V43-K46 WeakPolarHBondContact O-CB 3.43Å; V43-K46 PolarHBondContact O-N 3.33Å; V43-K46 VanDerWaalsContact O-N 3.09Å; A44-K46 PolarHBondContact O-N 3.47Å; K46-R48 HydrophobicContact CB-CG 4.47Å; K46-R48 PolarHBondContact O-N 3.4Å |
| 47 | D | 95.3 | Very high | 91.3 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 47% | 0.465 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 27.4 | 171.6 | -99.9 | -30.7 | 0 | 0 | 0 | 113.9 | A44 L45 R186 | A44-D47 PolarHBondContact O-N 2.9Å; L45-D47 VanDerWaalsContact C-N 3.25Å; D47-R186 VanDerWaalsContact CB-NH2 3.32Å; D47-R186 VanDerWaalsContact O-CD 3.31Å; D47-R186 WeakPolarHBondContact O-CD 2.96Å; D47-R186 PolarHBondContact O-NE 3.29Å; D47-R186 PolarHBondContact O-NH1 2.91Å; D47-R186 IonicContact OD1-CZ 2.91Å; D47-R186 IonicContact OD1-NE 3.58Å; D47-R186 PolarHBondContact OD1-NE 2.98Å; D47-R186 IonicContact OD1-NH2 3.91Å; D47-R186 PolarHBondContact OD1-NH2 2.91Å; D47-R186 IonicContact OD2-NH2 3.51Å; D47-R186 PolarHBondContact OD2-NH2 3.42Å |
| 48 | R | 97.4 | Very high | 90.1 | Very high | 91 Ų | 91 | 40.2 Ų | 40.2 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | trans | -100 | 144.8 | 179.7 | -65.1 | -66.5 | -63.6 | -108.2 | -2.6 | 111.6 | V43 K46 Y188 D208 V210 | V43-R48 HydrophobicContact CG1-CB 3.95Å; K46-R48 HydrophobicContact CB-CG 4.47Å; K46-R48 PolarHBondContact O-N 3.4Å; R48-Y188 WeakPolarHBondContact O-CE1 3.05Å; R48-D208 IonicContact CZ-OD2 3.48Å; R48-D208 VanDerWaalsContact CZ-OD2 3.26Å; R48-D208 PolarHBondContact NE-O 2.92Å; R48-D208 IonicContact NH1-OD2 2.86Å; R48-D208 PolarHBondContact NH2-O 3.25Å; R48-D208 IonicContact NH2-OD1 2.69Å; R48-D208 PolarHBondContact NH2-OD1 3.39Å; R48-D208 IonicContact NH2-OD2 3.49Å; R48-D208 PolarHBondContact NH2-OD2 3.33Å; R48-V210 HydrophobicContact CB-CG2 4.21Å; R48-V210 HydrophobicContact CG-CG2 4.48Å | ||
| 49 | D | 98.5 | Very high | 89.5 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | trans | -66.4 | 151.1 | 167.3 | -77.5 | 8.1 | 0 | 0 | 0 | 110.4 | R186 T187 L206 Q207 P209 V210 | D49-R186 WeakPolarHBondContact OD1-CA 3.49Å; D49-T187 VanDerWaalsContact CA-O 3.31Å; D49-T187 WeakPolarHBondContact CA-O 3.24Å; D49-T187 WeakPolarHBondContact CB-O 3.43Å; D49-T187 PolarHBondContact OD1-N 3.41Å; D49-L206 HydrophobicContact CB-CB 4.31Å; D49-L206 HydrophobicContact CB-CG 4.41Å; D49-L206 VanDerWaalsContact OD2-CA 3.28Å; D49-L206 WeakPolarHBondContact OD2-CA 3.27Å; D49-Q207 PolarHBondContact OD2-N 3.43Å; D49-P209 HydrophobicContact CB-CB 3.96Å; D49-P209 CarbonylContact O-C 3.58Å; D49-P209 VanDerWaalsContact O-CA 3.28Å; D49-P209 WeakPolarHBondContact O-CA 3.42Å; D49-V210 PolarHBondContact O-N 3.32Å | ||
| 50 | I | 98.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 134.5 | -175.6 | -65.6 | 175.6 | 0 | 0 | 0 | 109.6 | A40 V43 A44 T187 Y188 L189 L206 I212 | A40-I50 HydrophobicContact CB-CD1 4.19Å; A40-I50 WeakPolarHBondContact O-CD1 3.45Å; V43-I50 HydrophobicContact CB-CD1 4.21Å; V43-I50 HydrophobicContact CG1-CD1 3.97Å; V43-I50 HydrophobicContact CG1-CG1 3.79Å; A44-I50 HydrophobicContact CB-CD1 3.74Å; I50-T187 PolarHBondContact N-O 3.32Å; I50-Y188 HydrophobicContact CB-CD1 3.81Å; I50-Y188 HydrophobicContact CB-CE1 4.46Å; I50-Y188 HydrophobicContact CD1-CD1 4.1Å; I50-Y188 HydrophobicContact CD1-CE1 4.04Å; I50-Y188 HydrophobicContact CG1-CD1 3.98Å; I50-Y188 HydrophobicContact CG1-CE1 4.13Å; I50-Y188 WeakPolarHBondContact O-CA 3.33Å; I50-L189 PolarHBondContact O-N 3.11Å; I50-L206 WeakPolarHBondContact O-CD2 3.29Å; I50-I212 HydrophobicContact CD1-CD1 4.25Å; I50-I212 HydrophobicContact CG1-CD1 4.45Å; I50-I212 HydrophobicContact CG2-CD1 3.79Å; I50-I212 HydrophobicContact CG2-CG1 4.26Å |
| 51 | I | 96.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 107.3 | 159.1 | -176.6 | 163.8 | 0 | 0 | 0 | 109.8 | L189 M194 Q202 L206 P209 V210 K211 I212 | I51-L189 CarbonylContact C-O 3.55Å; I51-L189 WeakPolarHBondContact CA-O 3.34Å; I51-L189 HydrophobicContact CD1-CD2 4.21Å; I51-L189 HydrophobicContact CG1-CD2 4.13Å; I51-M194 HydrophobicContact CD1-CE 3.77Å; I51-M194 HydrophobicContact CD1-SD 3.58Å; I51-M194 VanDerWaalsContact CD1-SD 3.58Å; I51-M194 HydrophobicContact CG1-SD 4.45Å; I51-Q202 HydrophobicContact CD1-CB 4.16Å; I51-Q202 VanDerWaalsContact CD1-CD 3.48Å; I51-Q202 HydrophobicContact CD1-CG 3.84Å; I51-L206 HydrophobicContact CB-CD2 4.09Å; I51-P209 HydrophobicContact CG2-CB 4.33Å; I51-P209 HydrophobicContact CG2-CG 4.45Å; I51-V210 PolarHBondContact N-O 3.19Å; I51-K211 HydrophobicContact CG2-CB 3.88Å; I51-K211 HydrophobicContact CG2-CG 4.09Å; I51-K211 WeakPolarHBondContact O-CA 3.4Å; I51-I212 PolarHBondContact O-N 3.4Å |
| 52 | G | 93.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L189 Y190 S191 I212 | G52-L189 PolarHBondContact N-O 3.04Å; G52-Y190 WeakPolarHBondContact O-CA 3.48Å; G52-S191 PolarHBondContact O-N 2.69Å; G52-I212 CarbonylContact C-O 3.55Å; G52-I212 WeakPolarHBondContact CA-O 3.47Å |
| 53 | L | 87.7 | Confident | 88.7 | Confident | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 102.7 | 168.6 | -60.6 | 178.7 | 0 | 0 | 0 | 109.4 | S191 M194 I212 E213 V214 | L53-S191 VanDerWaalsContact CA-O 3.32Å; L53-S191 WeakPolarHBondContact CA-O 3.48Å; L53-M194 HydrophobicContact CD1-CG 3.55Å; L53-M194 HydrophobicContact CD1-SD 4.47Å; L53-M194 HydrophobicContact CD2-CG 3.58Å; L53-M194 HydrophobicContact CD2-SD 3.74Å; L53-M194 HydrophobicContact CG-CG 4.14Å; L53-I212 PolarHBondContact N-O 3.11Å; L53-E213 HydrophobicContact CB-CB 4.4Å; L53-E213 HydrophobicContact CB-CG 4.15Å; L53-E213 HydrophobicContact CD1-CG 4.2Å; L53-V214 PolarHBondContact O-N 2.94Å |
| 54 | A | 80.8 | Confident | 88.7 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | trans | -157.3 | 145.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V36 S58 K60 S191 | V36-A54 HydrophobicContact CB-CB 4.46Å; V36-A54 HydrophobicContact CG2-CB 4.01Å; A54-S58 WeakPolarHBondContact CB-OG 3.38Å; A54-K60 HydrophobicContact CB-CD 4.02Å; A54-K60 HydrophobicContact CB-CG 4.1Å; A54-S191 PolarHBondContact N-O 3.37Å; A54-S191 VanDerWaalsContact N-O 3.11Å | ||
| 55 | E | 71 | Confident | 88.7 | Confident | 85 Ų | 85 | 32.4 Ų | 32.4 | 40% | 0.397 | 18% | 0.177 | S | C | . | . | trans | -77.1 | 170.3 | -179 | 61.8 | 172.8 | -172.9 | 0 | 0 | 113.8 | G57 S58 | E55-G57 PolarHBondContact O-N 2.9Å; E55-S58 WeakPolarHBondContact O-CB 3.42Å; E55-S58 PolarHBondContact O-N 3.11Å; E55-S58 PolarHBondContact O-OG 3.19Å | ||
| 56 | T | 65.5 | Low | 88.7 | Confident | 32 Ų | 32 | 29.8 Ų | 29.8 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 128.6 | 178.2 | -46.1 | 0 | 0 | 0 | 0 | 111.5 | E161 R342 | T56-E161 PolarHBondContact OG1-OE1 3.39Å; T56-R342 PolarHBondContact O-NH2 3.11Å |
| 57 | G | 66.5 | Low | 88.8 | Confident | 51 Ų | 51 | 22.4 Ų | 22.4 | 53% | 0.526 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 3.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E55 G59 | E55-G57 PolarHBondContact O-N 2.9Å; G57-G59 PolarHBondContact O-N 3.17Å |
| 58 | S | 70.4 | Confident | 89 | Confident | 23 Ų | 23 | 18.2 Ų | 18.2 | 16% | 0.161 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -72.5 | -2.5 | 171.5 | 55.1 | 0 | 0 | 0 | 0 | 114 | T34 V36 A54 E55 K60 | T34-S58 WeakPolarHBondContact CB-O 3.46Å; T34-S58 PolarHBondContact OG1-O 3.49Å; V36-S58 WeakPolarHBondContact CG1-O 3.48Å; A54-S58 WeakPolarHBondContact CB-OG 3.38Å; E55-S58 WeakPolarHBondContact O-CB 3.42Å; E55-S58 PolarHBondContact O-N 3.11Å; E55-S58 PolarHBondContact O-OG 3.19Å; S58-K60 WeakPolarHBondContact OG-CG 3.41Å |
| 59 | G | 82.6 | Confident | 89 | Confident | 20 Ų | 20 | 13.9 Ų | 13.9 | 21% | 0.206 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 92.8 | 13.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q37 G57 T61 G62 A63 | Q37-G59 PolarHBondContact NE2-O 2.93Å; G57-G59 PolarHBondContact O-N 3.17Å; G59-T61 VanDerWaalsContact C-N 3.26Å; G59-T61 PolarHBondContact O-N 3.22Å; G59-G62 PolarHBondContact O-N 3.19Å; G59-A63 PolarHBondContact O-N 3.45Å |
| 60 | K | 88.8 | Confident | 89 | Confident | 12 Ų | 12 | 14.2 Ų | 14.2 | 5% | 0.052 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -50.6 | -40.3 | -178.6 | -62 | -172.1 | -74.7 | 163.5 | 0 | 114.2 | V36 A54 S58 G62 A63 F64 D160 Y190 | V36-K60 HydrophobicContact CG1-CG 4.43Å; A54-K60 HydrophobicContact CB-CD 4.02Å; A54-K60 HydrophobicContact CB-CG 4.1Å; S58-K60 WeakPolarHBondContact OG-CG 3.41Å; K60-G62 VanDerWaalsContact C-N 3.35Å; K60-G62 PolarHBondContact O-N 3.49Å; K60-A63 WeakPolarHBondContact O-CA 3.49Å; K60-A63 VanDerWaalsContact O-CB 3.27Å; K60-A63 WeakPolarHBondContact O-CB 3.44Å; K60-A63 PolarHBondContact O-N 3.23Å; K60-F64 HydrophobicContact CB-CE1 4.49Å; K60-F64 WeakPolarHBondContact O-CD1 3.09Å; K60-F64 WeakPolarHBondContact O-CE1 3.41Å; K60-F64 PolarHBondContact O-N 2.92Å; K60-F64 VanDerWaalsContact O-N 3.15Å; K60-D160 IonicContact NZ-OD1 3.4Å; K60-D160 PolarHBondContact NZ-OD1 3.11Å; K60-Y190 HydrophobicContact CB-CD1 4.32Å; K60-Y190 HydrophobicContact CD-CD1 3.79Å; K60-Y190 HydrophobicContact CD-CG 4.15Å; K60-Y190 HydrophobicContact CG-CD1 4.04Å; K60-Y190 HydrophobicContact CG-CE1 4.49Å |
| 61 | T | 90.9 | Very high | 89 | Confident | 33 Ų | 33 | 15.2 Ų | 15.2 | 20% | 0.202 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | -178.2 | -49 | 0 | 0 | 0 | 0 | 111.8 | G59 A63 F64 A65 I94 Q97 | G59-T61 VanDerWaalsContact C-N 3.26Å; G59-T61 PolarHBondContact O-N 3.22Å; T61-A63 VanDerWaalsContact C-N 3.31Å; T61-A63 PolarHBondContact O-N 2.93Å; T61-F64 HydrophobicContact CG2-CE2 4.08Å; T61-F64 HydrophobicContact CG2-CZ 3.94Å; T61-A65 WeakPolarHBondContact O-CB 3.25Å; T61-A65 PolarHBondContact O-N 2.73Å; T61-I94 HydrophobicContact CG2-CG1 4.38Å; T61-Q97 HydrophobicContact CG2-CB 3.66Å; T61-Q97 HydrophobicContact CG2-CG 3.97Å |
| 62 | G | 94.2 | Very high | 89 | Confident | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.4 | -37.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G59 K60 F64 A65 I66 | G59-G62 PolarHBondContact O-N 3.19Å; K60-G62 VanDerWaalsContact C-N 3.35Å; K60-G62 PolarHBondContact O-N 3.49Å; G62-F64 VanDerWaalsContact C-N 3.29Å; G62-F64 PolarHBondContact O-N 3.09Å; G62-A65 PolarHBondContact O-N 3.28Å; G62-I66 WeakPolarHBondContact O-CB 3.47Å; G62-I66 WeakPolarHBondContact O-CD1 3.44Å; G62-I66 VanDerWaalsContact O-CG1 3.25Å; G62-I66 WeakPolarHBondContact O-CG1 3.46Å; G62-I66 PolarHBondContact O-N 3.35Å |
| 63 | A | 96 | Very high | 89.2 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -32.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | V36 Q37 A40 G59 K60 T61 P67 | V36-A63 HydrophobicContact CG1-CB 4.23Å; Q37-A63 HydrophobicContact CG-CB 3.86Å; A40-A63 HydrophobicContact CB-CB 4.08Å; G59-A63 PolarHBondContact O-N 3.45Å; K60-A63 WeakPolarHBondContact O-CA 3.49Å; K60-A63 VanDerWaalsContact O-CB 3.27Å; K60-A63 WeakPolarHBondContact O-CB 3.44Å; K60-A63 PolarHBondContact O-N 3.23Å; T61-A63 VanDerWaalsContact C-N 3.31Å; T61-A63 PolarHBondContact O-N 2.93Å; A63-P67 WeakPolarHBondContact O-CD 3.48Å; A63-P67 WeakPolarHBondContact O-CG 3.36Å |
| 64 | F | 97.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -98.9 | -31.1 | 171.9 | 59.3 | -109.7 | 0 | 0 | 0 | 114.1 | K60 T61 G62 P67 I68 I83 I94 F98 V158 D160 Y188 Y190 | K60-F64 HydrophobicContact CB-CE1 4.49Å; K60-F64 WeakPolarHBondContact O-CD1 3.09Å; K60-F64 WeakPolarHBondContact O-CE1 3.41Å; K60-F64 PolarHBondContact O-N 2.92Å; K60-F64 VanDerWaalsContact O-N 3.15Å; T61-F64 HydrophobicContact CG2-CE2 4.08Å; T61-F64 HydrophobicContact CG2-CZ 3.94Å; G62-F64 VanDerWaalsContact C-N 3.29Å; G62-F64 PolarHBondContact O-N 3.09Å; F64-P67 WeakPolarHBondContact O-CD 3.4Å; F64-P67 WeakPolarHBondContact O-CG 3.16Å; F64-I68 WeakPolarHBondContact O-CB 3.45Å; F64-I68 VanDerWaalsContact O-CD1 3.24Å; F64-I68 WeakPolarHBondContact O-CD1 3.45Å; F64-I68 WeakPolarHBondContact O-CG1 3.38Å; F64-I68 PolarHBondContact O-N 3.05Å; F64-I83 HydrophobicContact CE2-CG1 4.46Å; F64-I94 HydrophobicContact CE2-CG2 4.22Å; F64-I94 HydrophobicContact CZ-CD1 4.43Å; F64-I94 HydrophobicContact CZ-CG1 4.5Å; F64-I94 HydrophobicContact CZ-CG2 4.36Å; F64-F98 HydrophobicContact CD2-CE2 4.22Å; F64-F98 HydrophobicContact CD2-CZ 4.04Å; F64-F98 AromaticContact CE2-CE2 3.76Å; F64-F98 HydrophobicContact CE2-CE2 3.76Å; F64-F98 HydrophobicContact CE2-CZ 4.07Å; F64-V158 HydrophobicContact CB-CG1 4.36Å; F64-V158 HydrophobicContact CB-CG2 4.29Å; F64-V158 HydrophobicContact CD1-CG1 3.9Å; F64-V158 HydrophobicContact CD2-CG1 4.16Å; F64-V158 HydrophobicContact CD2-CG2 4.3Å; F64-V158 HydrophobicContact CE1-CG1 4.13Å; F64-V158 HydrophobicContact CE2-CG1 4.42Å; F64-V158 HydrophobicContact CG-CG1 3.91Å; F64-V158 HydrophobicContact CG-CG2 4.38Å; F64-V158 HydrophobicContact CZ-CG1 4.38Å; F64-D160 HydrophobicContact CE1-CB 4.43Å; F64-Y188 HydrophobicContact CB-CD2 3.8Å; F64-Y188 HydrophobicContact CB-CE2 4.47Å; F64-Y190 HydrophobicContact CB-CE2 3.95Å; F64-Y190 AromaticContact CD1-CD2 3.87Å; F64-Y190 HydrophobicContact CD1-CD2 3.87Å; F64-Y190 AromaticContact CD1-CE2 3.72Å; F64-Y190 HydrophobicContact CD1-CE2 3.72Å; F64-Y190 HydrophobicContact CG-CE2 4.32Å |
| 65 | A | 97.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70 | -43.2 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | T61 G62 I68 L69 F98 L101 | T61-A65 WeakPolarHBondContact O-CB 3.25Å; T61-A65 PolarHBondContact O-N 2.73Å; G62-A65 PolarHBondContact O-N 3.28Å; A65-I68 PolarHBondContact O-N 3.32Å; A65-L69 WeakPolarHBondContact O-CB 3.31Å; A65-L69 VanDerWaalsContact O-CG 3.25Å; A65-L69 WeakPolarHBondContact O-CG 3.36Å; A65-L69 PolarHBondContact O-N 3.38Å; A65-F98 HydrophobicContact CB-CD1 4.06Å; A65-F98 HydrophobicContact CB-CD2 4.5Å; A65-F98 HydrophobicContact CB-CE1 3.68Å; A65-F98 HydrophobicContact CB-CE2 4.16Å; A65-F98 HydrophobicContact CB-CG 4.46Å; A65-F98 HydrophobicContact CB-CZ 3.73Å; A65-L101 HydrophobicContact CB-CD1 3.78Å |
| 66 | I | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -55.7 | -179.3 | -66.9 | 167.7 | 0 | 0 | 0 | 112.1 | F12 V17 L21 W30 I41 G62 I68 L69 Q70 L101 | F12-I66 HydrophobicContact CD1-CD1 3.91Å; F12-I66 HydrophobicContact CE1-CD1 3.6Å; V17-I66 HydrophobicContact CB-CG2 4.33Å; V17-I66 HydrophobicContact CG1-CG2 3.66Å; V17-I66 HydrophobicContact CG2-CG2 3.66Å; L21-I66 HydrophobicContact CD1-CG2 4.35Å; W30-I66 HydrophobicContact CZ3-CD1 4.36Å; I41-I66 HydrophobicContact CD1-CB 4.45Å; I41-I66 HydrophobicContact CD1-CD1 3.88Å; I41-I66 HydrophobicContact CD1-CG2 4.46Å; G62-I66 WeakPolarHBondContact O-CB 3.47Å; G62-I66 WeakPolarHBondContact O-CD1 3.44Å; G62-I66 VanDerWaalsContact O-CG1 3.25Å; G62-I66 WeakPolarHBondContact O-CG1 3.46Å; G62-I66 PolarHBondContact O-N 3.35Å; I66-I68 VanDerWaalsContact C-N 3.31Å; I66-I68 PolarHBondContact O-N 3.47Å; I66-L69 PolarHBondContact O-N 3.05Å; I66-Q70 PolarHBondContact O-N 3.06Å; I66-L101 HydrophobicContact CG1-CD1 4.38Å |
| 67 | P | 98.1 | Very high | 93 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -33.5 | -179.9 | 23.6 | -34.1 | 0 | 0 | 0 | 113 | A44 L45 A63 F64 Q70 A71 Y188 | A44-P67 HydrophobicContact CB-CB 3.51Å; A44-P67 HydrophobicContact CB-CG 3.5Å; A44-P67 VanDerWaalsContact CB-CG 3.5Å; L45-P67 HydrophobicContact CD2-CB 3.9Å; L45-P67 HydrophobicContact CG-CB 4.44Å; A63-P67 WeakPolarHBondContact O-CD 3.48Å; A63-P67 WeakPolarHBondContact O-CG 3.36Å; F64-P67 WeakPolarHBondContact O-CD 3.4Å; F64-P67 WeakPolarHBondContact O-CG 3.16Å; P67-Q70 PolarHBondContact O-N 2.62Å; P67-A71 WeakPolarHBondContact O-CB 3.39Å; P67-A71 PolarHBondContact O-N 3.49Å; P67-Y188 HydrophobicContact CG-CE2 4.37Å |
| 68 | I | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 174.4 | -70.8 | 170.4 | 0 | 0 | 0 | 110.9 | F64 A65 I66 Q70 A71 L72 F80 A81 F98 F156 V158 Y188 | F64-I68 WeakPolarHBondContact O-CB 3.45Å; F64-I68 VanDerWaalsContact O-CD1 3.24Å; F64-I68 WeakPolarHBondContact O-CD1 3.45Å; F64-I68 WeakPolarHBondContact O-CG1 3.38Å; F64-I68 PolarHBondContact O-N 3.05Å; A65-I68 PolarHBondContact O-N 3.32Å; I66-I68 VanDerWaalsContact C-N 3.31Å; I66-I68 PolarHBondContact O-N 3.47Å; I68-Q70 VanDerWaalsContact C-N 3.35Å; I68-A71 PolarHBondContact O-N 3.23Å; I68-L72 WeakPolarHBondContact O-CB 3.45Å; I68-L72 PolarHBondContact O-N 3.35Å; I68-F80 HydrophobicContact CG2-CD1 4.22Å; I68-F80 HydrophobicContact CG2-CE1 4.32Å; I68-F80 WeakPolarHBondContact O-CE1 3.42Å; I68-A81 HydrophobicContact CD1-CB 4.37Å; I68-A81 HydrophobicContact CG2-CB 3.64Å; I68-F98 HydrophobicContact CB-CE1 4.42Å; I68-F98 HydrophobicContact CD1-CZ 4.25Å; I68-F98 HydrophobicContact CG2-CE1 4.15Å; I68-F156 HydrophobicContact CD1-CB 4.2Å; I68-F156 HydrophobicContact CD1-CD1 4.33Å; I68-F156 HydrophobicContact CD1-CG 4.43Å; I68-F156 HydrophobicContact CG1-CB 4.15Å; I68-F156 HydrophobicContact CG1-CD1 3.61Å; I68-F156 HydrophobicContact CG1-CE1 4.14Å; I68-F156 HydrophobicContact CG1-CG 3.85Å; I68-V158 HydrophobicContact CD1-CG2 3.57Å; I68-Y188 HydrophobicContact CD1-CD2 4.43Å; I68-Y188 HydrophobicContact CD1-CE2 4.37Å; I68-Y188 HydrophobicContact CG1-CE2 4.13Å |
| 69 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.4 | -34.3 | 179.9 | -67.6 | 175.6 | 0 | 0 | 0 | 112 | L21 A65 I66 L72 L73 F98 L101 I105 L107 | L21-L69 HydrophobicContact CD1-CB 4.2Å; L21-L69 HydrophobicContact CD2-CB 3.96Å; L21-L69 HydrophobicContact CD2-CD1 4.34Å; A65-L69 WeakPolarHBondContact O-CB 3.31Å; A65-L69 VanDerWaalsContact O-CG 3.25Å; A65-L69 WeakPolarHBondContact O-CG 3.36Å; A65-L69 PolarHBondContact O-N 3.38Å; I66-L69 PolarHBondContact O-N 3.05Å; L69-L72 HydrophobicContact CD2-CD2 4.42Å; L69-L72 PolarHBondContact O-N 3.21Å; L69-L73 PolarHBondContact O-N 3.02Å; L69-F98 HydrophobicContact CD1-CD1 4.31Å; L69-F98 HydrophobicContact CD2-CD1 4.09Å; L69-F98 HydrophobicContact CD2-CE1 4.49Å; L69-F98 HydrophobicContact CG-CD1 4.2Å; L69-F98 HydrophobicContact CG-CE1 4.37Å; L69-L101 HydrophobicContact CD1-CB 3.46Å; L69-L101 VanDerWaalsContact CD1-CB 3.46Å; L69-L101 HydrophobicContact CD1-CD1 4.28Å; L69-I105 HydrophobicContact CD2-CD1 4.11Å; L69-L107 HydrophobicContact CD2-CD1 3.55Å; L69-L107 HydrophobicContact CD2-CD2 3.67Å; L69-L107 HydrophobicContact CD2-CG 4.22Å |
| 70 | Q | 97.9 | Very high | 96.5 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.065 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -47.8 | 173.6 | -173.9 | 154.3 | -58.6 | 0 | 0 | 111.4 | G16 T18 L21 L45 I66 P67 I68 L72 L73 E74 | G16-Q70 PolarHBondContact O-NE2 2.79Å; T18-Q70 HydrophobicContact CG2-CG 4.07Å; T18-Q70 PolarHBondContact OG1-OE1 3.39Å; L21-Q70 HydrophobicContact CD1-CB 3.74Å; L45-Q70 HydrophobicContact CD2-CB 4.26Å; L45-Q70 HydrophobicContact CD2-CG 4.23Å; L45-Q70 VanDerWaalsContact CD2-NE2 3.27Å; I66-Q70 PolarHBondContact O-N 3.06Å; P67-Q70 PolarHBondContact O-N 2.62Å; I68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-L72 VanDerWaalsContact C-N 3.27Å; Q70-L72 PolarHBondContact O-N 3.46Å; Q70-L73 WeakPolarHBondContact O-CB 3.46Å; Q70-L73 PolarHBondContact O-N 3.19Å; Q70-L73 VanDerWaalsContact O-N 3.14Å; Q70-E74 PolarHBondContact O-N 3.21Å; Q70-E74 VanDerWaalsContact O-N 3.11Å |
| 71 | A | 97.7 | Very high | 97 | Very high | 21 Ų | 21 | 31 Ų | 31 | 17% | 0.174 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -34.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P67 I68 E74 S75 F80 F156 | P67-A71 WeakPolarHBondContact O-CB 3.39Å; P67-A71 PolarHBondContact O-N 3.49Å; I68-A71 PolarHBondContact O-N 3.23Å; A71-E74 PolarHBondContact O-N 2.9Å; A71-S75 PolarHBondContact O-N 3.38Å; A71-F80 HydrophobicContact CB-CE1 4.13Å; A71-F80 HydrophobicContact CB-CZ 3.86Å; A71-F156 HydrophobicContact CB-CE2 3.87Å; A71-F156 HydrophobicContact CB-CZ 3.74Å |
| 72 | L | 97.8 | Very high | 97.3 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.9 | -34.9 | 175.2 | -178.1 | 64.7 | 0 | 0 | 0 | 112.5 | I68 L69 Q70 S75 P76 Q77 F80 L107 H130 | I68-L72 WeakPolarHBondContact O-CB 3.45Å; I68-L72 PolarHBondContact O-N 3.35Å; L69-L72 HydrophobicContact CD2-CD2 4.42Å; L69-L72 PolarHBondContact O-N 3.21Å; Q70-L72 VanDerWaalsContact C-N 3.27Å; Q70-L72 PolarHBondContact O-N 3.46Å; L72-S75 CarbonylContact O-C 3.53Å; L72-S75 VanDerWaalsContact O-C 3.24Å; L72-P76 VanDerWaalsContact O-CA 3.25Å; L72-P76 WeakPolarHBondContact O-CA 3.39Å; L72-P76 VanDerWaalsContact O-N 3.1Å; L72-Q77 WeakPolarHBondContact CD1-O 3.37Å; L72-F80 HydrophobicContact CB-CD1 3.95Å; L72-F80 HydrophobicContact CB-CE1 3.79Å; L72-F80 HydrophobicContact CB-CZ 4.33Å; L72-F80 HydrophobicContact CD1-CB 3.99Å; L72-F80 HydrophobicContact CD1-CD1 3.93Å; L72-F80 HydrophobicContact CD1-CD2 4.2Å; L72-F80 HydrophobicContact CD1-CE1 4.4Å; L72-F80 HydrophobicContact CD1-CG 3.79Å; L72-F80 HydrophobicContact CG-CD1 4.43Å; L72-L107 HydrophobicContact CD2-CD1 3.41Å; L72-L107 VanDerWaalsContact CD2-CD1 3.41Å; L72-H130 HydrophobicContact CD1-CB 4.48Å; L72-H130 HydrophobicContact CD2-CB 3.76Å |
| 73 | L | 96.5 | Very high | 97.6 | Very high | 65 Ų | 65 | 29.4 Ų | 29.4 | 34% | 0.34 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.2 | -41 | 173.7 | -87.9 | 171.8 | 0 | 0 | 0 | 111.6 | L21 L69 Q70 I105 | L21-L73 HydrophobicContact CD1-CD1 4.39Å; L21-L73 HydrophobicContact CG-CD1 4.2Å; L69-L73 PolarHBondContact O-N 3.02Å; Q70-L73 WeakPolarHBondContact O-CB 3.46Å; Q70-L73 PolarHBondContact O-N 3.19Å; Q70-L73 VanDerWaalsContact O-N 3.14Å; L73-I105 HydrophobicContact CD1-CG2 4.15Å; L73-I105 HydrophobicContact CD2-CB 3.98Å; L73-I105 HydrophobicContact CD2-CD1 4.35Å; L73-I105 HydrophobicContact CD2-CG2 3.46Å; L73-I105 VanDerWaalsContact CD2-CG2 3.46Å; L73-I105 HydrophobicContact CG-CD1 4.14Å; L73-I105 HydrophobicContact CG-CG2 4.04Å |
| 74 | E | 95.9 | Very high | 97.7 | Very high | 139 Ų | 139 | 29.4 Ų | 29.4 | 65% | 0.65 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -71 | -37.1 | 177.5 | -69.1 | 171.7 | -167.3 | 0 | 0 | 112.3 | Q70 A71 | Q70-E74 PolarHBondContact O-N 3.21Å; Q70-E74 VanDerWaalsContact O-N 3.11Å; A71-E74 PolarHBondContact O-N 2.9Å |
| 75 | S | 95.7 | Very high | 97.5 | Very high | 77 Ų | 77 | 29.4 Ų | 29.4 | 54% | 0.538 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -134.9 | 79.8 | -178.6 | -70.7 | 0 | 0 | 0 | 0 | 111.8 | A71 L72 Q77 | A71-S75 PolarHBondContact O-N 3.38Å; L72-S75 CarbonylContact O-C 3.53Å; L72-S75 VanDerWaalsContact O-C 3.24Å; S75-Q77 PolarHBondContact O-N 3.43Å; S75-Q77 VanDerWaalsContact O-N 3.16Å |
| 76 | P | 96 | Very high | 97 | Very high | 111 Ų | 111 | 29.6 Ų | 29.6 | 72% | 0.721 | 16% | 0.159 | S | C | * | . | trans | -58.6 | 118.6 | -178.1 | -27.2 | 35.9 | 0 | 0 | 0 | 112.7 | L72 | L72-P76 VanDerWaalsContact O-CA 3.25Å; L72-P76 WeakPolarHBondContact O-CA 3.39Å; L72-P76 VanDerWaalsContact O-N 3.1Å | ||
| 77 | Q | 97.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 30.2 Ų | 30.2 | 27% | 0.271 | 16% | 0.163 | S | C | . | . | trans | -144.6 | 146.6 | -177.4 | -155.8 | -163.4 | -96.8 | 0 | 0 | 111.4 | L72 S75 F80 H130 S153 | L72-Q77 WeakPolarHBondContact CD1-O 3.37Å; S75-Q77 PolarHBondContact O-N 3.43Å; S75-Q77 VanDerWaalsContact O-N 3.16Å; Q77-F80 HydrophobicContact CB-CD2 3.8Å; Q77-H130 PolarHBondContact O-CD2 3.06Å; Q77-S153 PolarHBondContact NE2-O 2.75Å | ||
| 78 | R | 97.6 | Very high | 95.6 | Very high | 94 Ų | 94 | 32.3 Ų | 32.3 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -77.1 | 156.6 | 165.4 | -54.8 | -49.9 | -160 | 166.2 | -26.2 | 110.7 | F80 K128 H130 | R78-F80 PolarHBondContact O-N 2.96Å; R78-K128 HydrophobicContact CB-CB 3.89Å; R78-K128 WeakPolarHBondContact CD-O 3.36Å; R78-K128 HydrophobicContact CG-CB 3.96Å; R78-K128 PolarHBondContact NH1-O 3.45Å; R78-H130 PolarHBondContact NH1-NE2 3.34Å |
| 79 | L | 97.6 | Very high | 94.4 | Very high | 17 Ų | 17 | 33 Ų | 33 | 9% | 0.089 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 49.4 | 48.7 | 177.6 | -55.5 | 176.4 | 0 | 0 | 0 | 111.3 | P129 I132 F149 A150 L154 | L79-P129 WeakPolarHBondContact CA-O 3.45Å; L79-P129 HydrophobicContact CD2-CG 4.31Å; L79-P129 PolarHBondContact N-O 3.09Å; L79-I132 HydrophobicContact CD2-CD1 3.69Å; L79-F149 HydrophobicContact CD2-CE2 4.5Å; L79-A150 WeakPolarHBondContact CD1-O 3.28Å; L79-L154 WeakPolarHBondContact O-CA 3.25Å |
| 80 | F | 98.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | trans | -84.9 | -43.8 | -170.3 | -173.3 | -108.5 | 0 | 0 | 0 | 112 | I68 A71 L72 Q77 R78 H130 K155 F156 | I68-F80 HydrophobicContact CG2-CD1 4.22Å; I68-F80 HydrophobicContact CG2-CE1 4.32Å; I68-F80 WeakPolarHBondContact O-CE1 3.42Å; A71-F80 HydrophobicContact CB-CE1 4.13Å; A71-F80 HydrophobicContact CB-CZ 3.86Å; L72-F80 HydrophobicContact CB-CD1 3.95Å; L72-F80 HydrophobicContact CB-CE1 3.79Å; L72-F80 HydrophobicContact CB-CZ 4.33Å; L72-F80 HydrophobicContact CD1-CB 3.99Å; L72-F80 HydrophobicContact CD1-CD1 3.93Å; L72-F80 HydrophobicContact CD1-CD2 4.2Å; L72-F80 HydrophobicContact CD1-CE1 4.4Å; L72-F80 HydrophobicContact CD1-CG 3.79Å; L72-F80 HydrophobicContact CG-CD1 4.43Å; Q77-F80 HydrophobicContact CB-CD2 3.8Å; R78-F80 PolarHBondContact O-N 2.96Å; F80-H130 WeakPolarHBondContact CB-O 3.47Å; F80-H130 PolarHBondContact N-O 3.31Å; F80-K155 HydrophobicContact CD2-CB 3.87Å; F80-K155 HydrophobicContact CD2-CG 3.73Å; F80-K155 HydrophobicContact CE2-CB 3.79Å; F80-K155 HydrophobicContact CE2-CG 3.7Å; F80-K155 HydrophobicContact CG-CB 4.48Å; F80-K155 HydrophobicContact CZ-CB 4.29Å; F80-K155 PolarHBondContact O-N 3.34Å; F80-F156 AromaticContact CD1-CD2 3.92Å; F80-F156 HydrophobicContact CD1-CD2 3.92Å; F80-F156 HydrophobicContact CD1-CE2 4.33Å; F80-F156 AromaticContact CE1-CD2 3.43Å; F80-F156 HydrophobicContact CE1-CD2 3.43Å; F80-F156 VanDerWaalsContact CE1-CD2 3.43Å; F80-F156 AromaticContact CE1-CE2 3.39Å; F80-F156 HydrophobicContact CE1-CE2 3.39Å; F80-F156 HydrophobicContact CE2-CE2 4.31Å; F80-F156 AromaticContact CZ-CD2 3.81Å; F80-F156 HydrophobicContact CZ-CD2 3.81Å; F80-F156 AromaticContact CZ-CE2 3.42Å; F80-F156 HydrophobicContact CZ-CE2 3.42Å; F80-F156 VanDerWaalsContact CZ-CE2 3.42Å; F80-F156 PolarHBondContact O-N 3.45Å | ||
| 81 | A | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I68 I83 H130 V131 I132 F156 | I68-A81 HydrophobicContact CD1-CB 4.37Å; I68-A81 HydrophobicContact CG2-CB 3.64Å; A81-I83 HydrophobicContact CB-CD1 4.3Å; A81-H130 PolarHBondContact N-O 3.35Å; A81-V131 HydrophobicContact CB-CG1 4.49Å; A81-V131 HydrophobicContact CB-CG2 4.31Å; A81-V131 WeakPolarHBondContact O-CA 3.5Å; A81-I132 PolarHBondContact O-N 3.39Å; A81-F156 WeakPolarHBondContact CA-O 3.27Å; A81-F156 HydrophobicContact CB-CB 3.84Å |
| 82 | L | 98.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.5 | 174.4 | 170.3 | 64.1 | 0 | 0 | 0 | 108 | L84 I132 A134 L139 L151 L154 F156 L157 V158 I177 | L82-L84 HydrophobicContact CD1-CD2 4Å; L82-L84 HydrophobicContact CD2-CD1 4.39Å; L82-L84 HydrophobicContact CD2-CD2 4.09Å; L82-L84 HydrophobicContact CD2-CG 4.19Å; L82-L84 HydrophobicContact CG-CD2 4.11Å; L82-L84 HydrophobicContact CG-CG 4.14Å; L82-I132 CarbonylContact C-O 3.58Å; L82-I132 WeakPolarHBondContact CA-O 3.27Å; L82-I132 HydrophobicContact CD1-CB 4.11Å; L82-I132 HydrophobicContact CD1-CG2 3.84Å; L82-A134 HydrophobicContact CD1-CB 4.33Å; L82-L139 HydrophobicContact CD1-CD1 4.49Å; L82-L139 HydrophobicContact CD1-CD2 3.65Å; L82-L139 HydrophobicContact CD2-CD2 3.6Å; L82-L139 HydrophobicContact CG-CD2 4.26Å; L82-L151 HydrophobicContact CD2-CD1 3.89Å; L82-L154 HydrophobicContact CB-CD1 3.68Å; L82-L154 HydrophobicContact CB-CD2 3.9Å; L82-L154 HydrophobicContact CB-CG 4.43Å; L82-L154 HydrophobicContact CD2-CD2 4.46Å; L82-F156 PolarHBondContact N-O 2.92Å; L82-L157 HydrophobicContact CB-CD1 4.49Å; L82-L157 HydrophobicContact CD2-CD1 3.98Å; L82-L157 HydrophobicContact CG-CD1 4.2Å; L82-L157 CarbonylContact O-C 3.57Å; L82-L157 WeakPolarHBondContact O-CA 3.47Å; L82-V158 PolarHBondContact O-N 3.01Å; L82-I177 HydrophobicContact CD2-CG2 4.02Å |
| 83 | I | 98.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.3 | 175.6 | -57.8 | 84.1 | 0 | 0 | 0 | 108.3 | F64 A81 I94 F98 V131 I132 V133 A134 V158 | F64-I83 HydrophobicContact CE2-CG1 4.46Å; A81-I83 HydrophobicContact CB-CD1 4.3Å; I83-I94 HydrophobicContact CB-CG2 4.47Å; I83-I94 HydrophobicContact CG2-CD1 4.1Å; I83-I94 HydrophobicContact CG2-CG2 4.04Å; I83-F98 HydrophobicContact CD1-CD2 4.46Å; I83-F98 HydrophobicContact CD1-CE2 3.59Å; I83-F98 HydrophobicContact CD1-CZ 3.67Å; I83-F98 HydrophobicContact CG1-CE2 3.8Å; I83-F98 HydrophobicContact CG1-CZ 4.04Å; I83-V131 HydrophobicContact CD1-CG1 3.24Å; I83-I132 PolarHBondContact N-O 3.46Å; I83-V133 HydrophobicContact CB-CG1 4.2Å; I83-V133 HydrophobicContact CB-CG2 4.41Å; I83-V133 HydrophobicContact CD1-CG2 4.34Å; I83-V133 HydrophobicContact CG2-CG1 4.33Å; I83-V133 CarbonylContact O-C 3.57Å; I83-V133 WeakPolarHBondContact O-CA 3.37Å; I83-A134 PolarHBondContact O-N 3.22Å; I83-V158 WeakPolarHBondContact CA-O 3.45Å; I83-V158 HydrophobicContact CB-CB 4.24Å; I83-V158 HydrophobicContact CG1-CB 3.86Å; I83-V158 HydrophobicContact CG1-CG2 4.01Å; I83-V158 HydrophobicContact CG2-CB 4.06Å; I83-V158 HydrophobicContact CG2-CG1 4.17Å |
| 84 | L | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.1 | 176 | -62.6 | 176.4 | 0 | 0 | 0 | 109.9 | L82 A134 L139 L157 V158 M159 D160 I165 M174 I177 | L82-L84 HydrophobicContact CD1-CD2 4Å; L82-L84 HydrophobicContact CD2-CD1 4.39Å; L82-L84 HydrophobicContact CD2-CD2 4.09Å; L82-L84 HydrophobicContact CD2-CG 4.19Å; L82-L84 HydrophobicContact CG-CD2 4.11Å; L82-L84 HydrophobicContact CG-CG 4.14Å; L84-A134 WeakPolarHBondContact CA-O 3.2Å; L84-A134 HydrophobicContact CD2-CB 4.38Å; L84-L139 HydrophobicContact CD2-CD2 3.69Å; L84-L157 HydrophobicContact CD1-CD1 3.87Å; L84-L157 HydrophobicContact CG-CD1 4.22Å; L84-V158 PolarHBondContact N-O 3.3Å; L84-M159 HydrophobicContact CB-CG 4.4Å; L84-M159 HydrophobicContact CD1-CG 4.37Å; L84-D160 PolarHBondContact O-N 3.5Å; L84-I165 HydrophobicContact CB-CD1 4.35Å; L84-M174 HydrophobicContact CD1-CE 3.69Å; L84-M174 HydrophobicContact CD1-SD 3.55Å; L84-M174 VanDerWaalsContact CD1-SD 3.55Å; L84-I177 HydrophobicContact CD1-CD1 4.08Å; L84-I177 HydrophobicContact CD1-CG2 4.24Å; L84-I177 HydrophobicContact CD2-CD1 4.12Å |
| 85 | T | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -148 | 149.2 | -175.3 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | T87 L90 A91 V133 A134 T135 | T85-T87 PolarHBondContact O-N 3.48Å; T85-L90 WeakPolarHBondContact OG1-CB 3.47Å; T85-L90 WeakPolarHBondContact OG1-CD2 3.38Å; T85-L90 WeakPolarHBondContact OG1-CG 3.48Å; T85-A91 HydrophobicContact CG2-CB 3.55Å; T85-V133 HydrophobicContact CG2-CG1 4.28Å; T85-A134 PolarHBondContact N-O 3.06Å; T85-T135 WeakPolarHBondContact O-CA 3.29Å | ||
| 86 | P | 87.2 | Confident | 91.3 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -70.2 | -30 | -172.2 | 25 | -36.5 | 0 | 0 | 0 | 114.6 | L90 D160 E161 R164 I165 M168 | P86-L90 HydrophobicContact CG-CD2 4.43Å; P86-D160 WeakPolarHBondContact CD-O 3.17Å; P86-E161 HydrophobicContact CG-CB 3.87Å; P86-E161 WeakPolarHBondContact CG-OE2 3.41Å; P86-R164 HydrophobicContact CB-CB 4.1Å; P86-R164 HydrophobicContact CG-CB 4.03Å; P86-I165 HydrophobicContact CB-CG1 3.99Å; P86-I165 HydrophobicContact CG-CG1 4.36Å; P86-M168 HydrophobicContact CB-SD 3.81Å |
| 87 | T | 84.9 | Confident | 91 | Very high | 13 Ų | 13 | 26 Ų | 26 | 8% | 0.08 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -124.8 | 150.2 | -172.4 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | T85 E89 L90 A91 R311 | T85-T87 PolarHBondContact O-N 3.48Å; T87-E89 PolarHBondContact O-N 3.48Å; T87-L90 PolarHBondContact O-N 2.9Å; T87-L90 WeakPolarHBondContact OG1-CB 3.43Å; T87-L90 PolarHBondContact OG1-N 2.85Å; T87-A91 PolarHBondContact O-N 2.8Å; T87-A91 VanDerWaalsContact O-N 3.1Å; T87-R311 HydrophobicContact CG2-CB 4.37Å |
| 88 | R | 82.2 | Confident | 91.1 | Very high | 47 Ų | 47 | 23.2 Ų | 23.2 | 18% | 0.177 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.3 | -43.4 | 176.2 | 169.8 | 171.2 | 72.6 | -163.9 | 0.5 | 111.6 | A91 F92 V113 G114 | R88-A91 VanDerWaalsContact O-CB 3.3Å; R88-A91 WeakPolarHBondContact O-CB 3.35Å; R88-A91 PolarHBondContact O-N 3.21Å; R88-F92 HydrophobicContact CG-CD2 3.81Å; R88-F92 HydrophobicContact CG-CE2 3.56Å; R88-F92 WeakPolarHBondContact O-CD2 3.44Å; R88-F92 PolarHBondContact O-N 2.91Å; R88-F92 VanDerWaalsContact O-N 3.1Å; R88-V113 HydrophobicContact CB-CB 3.95Å; R88-V113 HydrophobicContact CB-CG1 4.11Å; R88-V113 HydrophobicContact CB-CG2 4.41Å; R88-V113 HydrophobicContact CG-CB 3.72Å; R88-V113 HydrophobicContact CG-CG1 4Å; R88-V113 HydrophobicContact CG-CG2 3.62Å; R88-G114 WeakPolarHBondContact CD-O 3.32Å; R88-G114 PolarHBondContact NH1-O 3.33Å; R88-G114 VanDerWaalsContact NH1-O 3.16Å |
| 89 | E | 74.6 | Confident | 90.9 | Very high | 16 Ų | 16 | 23.1 Ų | 23.1 | 8% | 0.075 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | -177.9 | -71.7 | 72.4 | -165.4 | 0 | 0 | 111.2 | T87 A91 F92 Q93 R288 G312 L313 | T87-E89 PolarHBondContact O-N 3.48Å; E89-A91 PolarHBondContact O-N 3.29Å; E89-F92 PolarHBondContact O-N 3.46Å; E89-F92 VanDerWaalsContact O-N 3.12Å; E89-Q93 WeakPolarHBondContact O-CG 3.42Å; E89-Q93 PolarHBondContact O-N 2.99Å; E89-R288 IonicContact OE1-CZ 2.68Å; E89-R288 VanDerWaalsContact OE1-CZ 3.26Å; E89-R288 IonicContact OE1-NE 3.34Å; E89-R288 PolarHBondContact OE1-NE 3.42Å; E89-R288 IonicContact OE1-NH2 3.33Å; E89-R288 PolarHBondContact OE1-NH2 3.11Å; E89-R288 IonicContact OE2-NH2 4Å; E89-G312 CarbonylContact C-O 3.58Å; E89-G312 VanDerWaalsContact CB-O 3.27Å; E89-G312 WeakPolarHBondContact CB-O 3.47Å; E89-L313 HydrophobicContact CB-CD2 3.63Å; E89-L313 HydrophobicContact CB-CG 3.92Å; E89-L313 HydrophobicContact CG-CD1 4.49Å; E89-L313 HydrophobicContact CG-CD2 3.56Å; E89-L313 HydrophobicContact CG-CG 3.95Å |
| 90 | L | 81.5 | Confident | 90.6 | Very high | 11 Ų | 11 | 24 Ų | 24 | 6% | 0.058 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.9 | -34.3 | 176.8 | -172 | 48.6 | 0 | 0 | 0 | 110.7 | T85 P86 T87 Q93 I94 E161 G312 | T85-L90 WeakPolarHBondContact OG1-CB 3.47Å; T85-L90 WeakPolarHBondContact OG1-CD2 3.38Å; T85-L90 WeakPolarHBondContact OG1-CG 3.48Å; P86-L90 HydrophobicContact CG-CD2 4.43Å; T87-L90 PolarHBondContact O-N 2.9Å; T87-L90 WeakPolarHBondContact OG1-CB 3.43Å; T87-L90 PolarHBondContact OG1-N 2.85Å; L90-Q93 PolarHBondContact O-N 3.36Å; L90-I94 HydrophobicContact CD1-CD1 4.08Å; L90-I94 HydrophobicContact CD1-CG1 4.13Å; L90-I94 HydrophobicContact CG-CD1 3.87Å; L90-I94 HydrophobicContact CG-CG1 4.39Å; L90-I94 WeakPolarHBondContact O-CB 3.45Å; L90-I94 VanDerWaalsContact O-CG1 3.29Å; L90-I94 WeakPolarHBondContact O-CG1 3.26Å; L90-I94 PolarHBondContact O-N 2.86Å; L90-E161 HydrophobicContact CD2-CG 3.95Å; L90-G312 WeakPolarHBondContact CA-O 3.4Å; L90-G312 PolarHBondContact N-O 3.43Å; L90-G312 VanDerWaalsContact N-O 3.07Å |
| 91 | A | 89.1 | Confident | 90.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | T85 T87 R88 E89 I94 A95 V111 V113 V133 | T85-A91 HydrophobicContact CG2-CB 3.55Å; T87-A91 PolarHBondContact O-N 2.8Å; T87-A91 VanDerWaalsContact O-N 3.1Å; R88-A91 VanDerWaalsContact O-CB 3.3Å; R88-A91 WeakPolarHBondContact O-CB 3.35Å; R88-A91 PolarHBondContact O-N 3.21Å; E89-A91 PolarHBondContact O-N 3.29Å; A91-I94 PolarHBondContact O-N 3.34Å; A91-A95 WeakPolarHBondContact O-CB 3.44Å; A91-A95 PolarHBondContact O-N 2.83Å; A91-V111 HydrophobicContact CB-CG1 3.91Å; A91-V113 HydrophobicContact CB-CG1 3.7Å; A91-V133 HydrophobicContact CB-CG1 3.8Å; A91-V133 WeakPolarHBondContact O-CG1 3.36Å |
| 92 | F | 86.6 | Confident | 90.1 | Very high | 70 Ų | 70 | 23.6 Ų | 23.6 | 31% | 0.307 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -63.6 | -42 | 174.9 | -78.5 | -73.5 | 0 | 0 | 0 | 112 | R88 E89 I94 A95 E96 V111 V113 | R88-F92 HydrophobicContact CG-CD2 3.81Å; R88-F92 HydrophobicContact CG-CE2 3.56Å; R88-F92 WeakPolarHBondContact O-CD2 3.44Å; R88-F92 PolarHBondContact O-N 2.91Å; R88-F92 VanDerWaalsContact O-N 3.1Å; E89-F92 PolarHBondContact O-N 3.46Å; E89-F92 VanDerWaalsContact O-N 3.12Å; F92-I94 PolarHBondContact O-N 3.16Å; F92-A95 PolarHBondContact O-N 3.07Å; F92-E96 WeakPolarHBondContact O-CG 3.24Å; F92-E96 PolarHBondContact O-N 2.81Å; F92-V111 HydrophobicContact CD1-CB 4.2Å; F92-V111 HydrophobicContact CD1-CG1 3.99Å; F92-V111 HydrophobicContact CD1-CG2 3.96Å; F92-V111 HydrophobicContact CD2-CG1 4.11Å; F92-V111 HydrophobicContact CE1-CB 3.95Å; F92-V111 HydrophobicContact CE1-CG1 3.85Å; F92-V111 HydrophobicContact CE1-CG2 4.16Å; F92-V111 HydrophobicContact CE2-CG1 3.97Å; F92-V111 HydrophobicContact CG-CG1 4.11Å; F92-V111 HydrophobicContact CZ-CB 4.31Å; F92-V111 HydrophobicContact CZ-CG1 3.83Å; F92-V113 HydrophobicContact CE2-CG2 4Å; F92-V113 HydrophobicContact CZ-CG2 4.32Å |
| 93 | Q | 81.2 | Confident | 89.7 | Confident | 41 Ų | 41 | 28.5 Ų | 28.5 | 19% | 0.192 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61 | -47.5 | 177 | -65.8 | -168.8 | -71.1 | 0 | 0 | 112.7 | E89 L90 A95 E96 Q97 G312 | E89-Q93 WeakPolarHBondContact O-CG 3.42Å; E89-Q93 PolarHBondContact O-N 2.99Å; L90-Q93 PolarHBondContact O-N 3.36Å; Q93-A95 VanDerWaalsContact C-N 3.27Å; Q93-A95 PolarHBondContact O-N 3.38Å; Q93-E96 PolarHBondContact O-N 2.79Å; Q93-Q97 WeakPolarHBondContact O-CG 3.4Å; Q93-Q97 PolarHBondContact O-N 2.93Å; Q93-G312 VanDerWaalsContact CD-C 3.4Å; Q93-G312 VanDerWaalsContact CG-O 3.25Å; Q93-G312 WeakPolarHBondContact CG-O 3.2Å; Q93-G312 PolarHBondContact OE1-O 2.99Å |
| 94 | I | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 179 | -71.3 | 168.8 | 0 | 0 | 0 | 109.2 | T61 F64 I83 L90 A91 F92 Q97 F98 V133 D160 | T61-I94 HydrophobicContact CG2-CG1 4.38Å; F64-I94 HydrophobicContact CE2-CG2 4.22Å; F64-I94 HydrophobicContact CZ-CD1 4.43Å; F64-I94 HydrophobicContact CZ-CG1 4.5Å; F64-I94 HydrophobicContact CZ-CG2 4.36Å; I83-I94 HydrophobicContact CB-CG2 4.47Å; I83-I94 HydrophobicContact CG2-CD1 4.1Å; I83-I94 HydrophobicContact CG2-CG2 4.04Å; L90-I94 HydrophobicContact CD1-CD1 4.08Å; L90-I94 HydrophobicContact CD1-CG1 4.13Å; L90-I94 HydrophobicContact CG-CD1 3.87Å; L90-I94 HydrophobicContact CG-CG1 4.39Å; L90-I94 WeakPolarHBondContact O-CB 3.45Å; L90-I94 VanDerWaalsContact O-CG1 3.29Å; L90-I94 WeakPolarHBondContact O-CG1 3.26Å; L90-I94 PolarHBondContact O-N 2.86Å; A91-I94 PolarHBondContact O-N 3.34Å; F92-I94 PolarHBondContact O-N 3.16Å; I94-Q97 PolarHBondContact O-N 2.86Å; I94-F98 HydrophobicContact CG2-CD2 3.7Å; I94-F98 HydrophobicContact CG2-CE2 3.67Å; I94-F98 VanDerWaalsContact O-CD2 3.31Å; I94-F98 WeakPolarHBondContact O-CD2 3.36Å; I94-F98 PolarHBondContact O-N 3.16Å; I94-V133 HydrophobicContact CB-CG1 3.94Å; I94-V133 HydrophobicContact CG2-CG1 3.83Å; I94-V133 HydrophobicContact CG2-CG2 3.92Å; I94-D160 HydrophobicContact CD1-CB 4.48Å |
| 95 | A | 94.6 | Very high | 88.7 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A91 F92 Q93 Q97 F98 E99 V109 V111 V133 | A91-A95 WeakPolarHBondContact O-CB 3.44Å; A91-A95 PolarHBondContact O-N 2.83Å; F92-A95 PolarHBondContact O-N 3.07Å; Q93-A95 VanDerWaalsContact C-N 3.27Å; Q93-A95 PolarHBondContact O-N 3.38Å; A95-Q97 VanDerWaalsContact C-N 3.27Å; A95-Q97 PolarHBondContact O-N 3.06Å; A95-F98 PolarHBondContact O-N 2.88Å; A95-F98 VanDerWaalsContact O-N 3.16Å; A95-E99 WeakPolarHBondContact O-CG 3.25Å; A95-E99 PolarHBondContact O-N 2.82Å; A95-V109 HydrophobicContact CB-CG1 3.71Å; A95-V111 HydrophobicContact CB-CG2 3.3Å; A95-V133 HydrophobicContact CB-CB 4.5Å; A95-V133 HydrophobicContact CB-CG2 4.05Å |
| 96 | E | 90.4 | Very high | 88.7 | Confident | 104 Ų | 104 | 37 Ų | 37 | 49% | 0.486 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.3 | -42 | 174.3 | -75.3 | 173.5 | -176.4 | 0 | 0 | 111.4 | F92 Q93 E99 A100 | F92-E96 WeakPolarHBondContact O-CG 3.24Å; F92-E96 PolarHBondContact O-N 2.81Å; Q93-E96 PolarHBondContact O-N 2.79Å; E96-E99 PolarHBondContact O-N 2.85Å; E96-A100 VanDerWaalsContact O-CB 3.22Å; E96-A100 WeakPolarHBondContact O-CB 3.34Å; E96-A100 PolarHBondContact O-N 2.71Å |
| 97 | Q | 91.1 | Very high | 89.2 | Confident | 58 Ų | 58 | 37.9 Ų | 37.9 | 27% | 0.271 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 177.3 | -66.1 | -60 | -40.4 | 0 | 0 | 112.7 | T61 Q93 I94 A95 L101 | T61-Q97 HydrophobicContact CG2-CB 3.66Å; T61-Q97 HydrophobicContact CG2-CG 3.97Å; Q93-Q97 WeakPolarHBondContact O-CG 3.4Å; Q93-Q97 PolarHBondContact O-N 2.93Å; I94-Q97 PolarHBondContact O-N 2.86Å; A95-Q97 VanDerWaalsContact C-N 3.27Å; A95-Q97 PolarHBondContact O-N 3.06Å; Q97-L101 WeakPolarHBondContact O-CB 3.29Å; Q97-L101 WeakPolarHBondContact O-CG 3.32Å; Q97-L101 PolarHBondContact O-N 3.15Å |
| 98 | F | 97.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 173.3 | -90.9 | -78.2 | 0 | 0 | 0 | 111.8 | F64 A65 I68 L69 I83 I94 A95 A100 L101 G102 L107 V109 V131 | F64-F98 HydrophobicContact CD2-CE2 4.22Å; F64-F98 HydrophobicContact CD2-CZ 4.04Å; F64-F98 AromaticContact CE2-CE2 3.76Å; F64-F98 HydrophobicContact CE2-CE2 3.76Å; F64-F98 HydrophobicContact CE2-CZ 4.07Å; A65-F98 HydrophobicContact CB-CD1 4.06Å; A65-F98 HydrophobicContact CB-CD2 4.5Å; A65-F98 HydrophobicContact CB-CE1 3.68Å; A65-F98 HydrophobicContact CB-CE2 4.16Å; A65-F98 HydrophobicContact CB-CG 4.46Å; A65-F98 HydrophobicContact CB-CZ 3.73Å; I68-F98 HydrophobicContact CB-CE1 4.42Å; I68-F98 HydrophobicContact CD1-CZ 4.25Å; I68-F98 HydrophobicContact CG2-CE1 4.15Å; L69-F98 HydrophobicContact CD1-CD1 4.31Å; L69-F98 HydrophobicContact CD2-CD1 4.09Å; L69-F98 HydrophobicContact CD2-CE1 4.49Å; L69-F98 HydrophobicContact CG-CD1 4.2Å; L69-F98 HydrophobicContact CG-CE1 4.37Å; I83-F98 HydrophobicContact CD1-CD2 4.46Å; I83-F98 HydrophobicContact CD1-CE2 3.59Å; I83-F98 HydrophobicContact CD1-CZ 3.67Å; I83-F98 HydrophobicContact CG1-CE2 3.8Å; I83-F98 HydrophobicContact CG1-CZ 4.04Å; I94-F98 HydrophobicContact CG2-CD2 3.7Å; I94-F98 HydrophobicContact CG2-CE2 3.67Å; I94-F98 VanDerWaalsContact O-CD2 3.31Å; I94-F98 WeakPolarHBondContact O-CD2 3.36Å; I94-F98 PolarHBondContact O-N 3.16Å; A95-F98 PolarHBondContact O-N 2.88Å; A95-F98 VanDerWaalsContact O-N 3.16Å; F98-A100 VanDerWaalsContact C-N 3.33Å; F98-A100 PolarHBondContact O-N 3.3Å; F98-L101 PolarHBondContact O-N 3.38Å; F98-G102 WeakPolarHBondContact O-CA 3.48Å; F98-G102 PolarHBondContact O-N 3.17Å; F98-L107 HydrophobicContact CB-CD2 3.88Å; F98-L107 HydrophobicContact CD1-CD2 4.25Å; F98-L107 WeakPolarHBondContact O-CD2 3.42Å; F98-V109 HydrophobicContact CB-CG2 3.92Å; F98-V131 HydrophobicContact CD1-CG1 4.22Å; F98-V131 HydrophobicContact CD1-CG2 4.11Å; F98-V131 HydrophobicContact CD2-CG1 4.24Å; F98-V131 HydrophobicContact CE1-CG1 4.25Å; F98-V131 HydrophobicContact CE1-CG2 4.24Å; F98-V131 HydrophobicContact CE2-CG1 4.26Å; F98-V131 HydrophobicContact CG-CG1 4.22Å; F98-V131 HydrophobicContact CZ-CG1 4.28Å |
| 99 | E | 95.4 | Very high | 90.6 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 178.7 | -72.4 | 176.4 | 166.5 | 0 | 0 | 111.3 | A95 E96 G102 T103 V109 | A95-E99 WeakPolarHBondContact O-CG 3.25Å; A95-E99 PolarHBondContact O-N 2.82Å; E96-E99 PolarHBondContact O-N 2.85Å; E99-G102 CarbonylContact O-C 3.43Å; E99-G102 PolarHBondContact O-N 3.16Å; E99-T103 PolarHBondContact O-N 3.28Å; E99-T103 PolarHBondContact O-OG1 3.26Å; E99-V109 HydrophobicContact CG-CB 3.95Å; E99-V109 HydrophobicContact CG-CG2 3.64Å |
| 100 | A | 90.7 | Very high | 91.7 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 28% | 0.281 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | L28 E96 F98 G102 T103 | L28-A100 HydrophobicContact CD1-CB 4.12Å; L28-A100 HydrophobicContact CD2-CB 3.54Å; L28-A100 HydrophobicContact CG-CB 4.44Å; E96-A100 VanDerWaalsContact O-CB 3.22Å; E96-A100 WeakPolarHBondContact O-CB 3.34Å; E96-A100 PolarHBondContact O-N 2.71Å; F98-A100 VanDerWaalsContact C-N 3.33Å; F98-A100 PolarHBondContact O-N 3.3Å; A100-G102 VanDerWaalsContact C-N 3.3Å; A100-G102 PolarHBondContact O-N 3.16Å; A100-T103 PolarHBondContact O-OG1 3.42Å |
| 101 | L | 93.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -33.7 | 173.5 | -73.2 | 168.5 | 0 | 0 | 0 | 112.6 | A24 L28 W30 A65 I66 L69 Q97 F98 | A24-L101 HydrophobicContact CB-CD2 4.38Å; L28-L101 HydrophobicContact CD1-CD2 3.58Å; L28-L101 HydrophobicContact CD1-CG 3.76Å; W30-L101 HydrophobicContact CE3-CD2 4.3Å; W30-L101 HydrophobicContact CH2-CD1 3.97Å; W30-L101 HydrophobicContact CH2-CD2 4.39Å; W30-L101 HydrophobicContact CH2-CG 4.37Å; W30-L101 HydrophobicContact CZ3-CD1 3.86Å; W30-L101 HydrophobicContact CZ3-CD2 3.81Å; W30-L101 HydrophobicContact CZ3-CG 4.22Å; A65-L101 HydrophobicContact CB-CD1 3.78Å; I66-L101 HydrophobicContact CG1-CD1 4.38Å; L69-L101 HydrophobicContact CD1-CB 3.46Å; L69-L101 VanDerWaalsContact CD1-CB 3.46Å; L69-L101 HydrophobicContact CD1-CD1 4.28Å; Q97-L101 WeakPolarHBondContact O-CB 3.29Å; Q97-L101 WeakPolarHBondContact O-CG 3.32Å; Q97-L101 PolarHBondContact O-N 3.15Å; F98-L101 PolarHBondContact O-N 3.38Å |
| 102 | G | 93.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F98 E99 A100 C104 I105 G106 L107 | F98-G102 WeakPolarHBondContact O-CA 3.48Å; F98-G102 PolarHBondContact O-N 3.17Å; E99-G102 CarbonylContact O-C 3.43Å; E99-G102 PolarHBondContact O-N 3.16Å; A100-G102 VanDerWaalsContact C-N 3.3Å; A100-G102 PolarHBondContact O-N 3.16Å; G102-C104 VanDerWaalsContact C-N 3.34Å; G102-C104 PolarHBondContact O-N 3.29Å; G102-I105 VanDerWaalsContact O-CG1 3.26Å; G102-I105 WeakPolarHBondContact O-CG1 3.22Å; G102-I105 PolarHBondContact O-N 3.27Å; G102-I105 VanDerWaalsContact O-N 3.12Å; G102-G106 PolarHBondContact O-N 3.36Å; G102-L107 WeakPolarHBondContact O-CB 3.37Å; G102-L107 PolarHBondContact O-N 3.42Å |
| 103 | T | 90.1 | Very high | 93.3 | Very high | 102 Ų | 102 | 38 Ų | 38 | 63% | 0.626 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -59.2 | -44.5 | -174.3 | -70 | 0 | 0 | 0 | 0 | 111.4 | E99 A100 I105 G106 | E99-T103 PolarHBondContact O-N 3.28Å; E99-T103 PolarHBondContact O-OG1 3.26Å; A100-T103 PolarHBondContact O-OG1 3.42Å; T103-I105 PolarHBondContact O-N 3.33Å; T103-G106 PolarHBondContact O-N 3Å |
| 104 | C | 85.8 | Confident | 93.6 | Very high | 84 Ų | 84 | 37.4 Ų | 37.4 | 57% | 0.568 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -69.4 | -13.5 | -179.1 | -59.7 | 0 | 0 | 0 | 0 | 114.3 | V20 G102 | V20-C104 HydrophobicContact CG1-CB 4.34Å; G102-C104 VanDerWaalsContact C-N 3.34Å; G102-C104 PolarHBondContact O-N 3.29Å |
| 105 | I | 90.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 23% | 0.226 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -113.6 | 8.6 | -173.6 | 73 | 168 | 0 | 0 | 0 | 112.8 | V20 L69 L73 G102 T103 L107 | V20-I105 HydrophobicContact CG1-CG2 4.14Å; L69-I105 HydrophobicContact CD2-CD1 4.11Å; L73-I105 HydrophobicContact CD1-CG2 4.15Å; L73-I105 HydrophobicContact CD2-CB 3.98Å; L73-I105 HydrophobicContact CD2-CD1 4.35Å; L73-I105 HydrophobicContact CD2-CG2 3.46Å; L73-I105 VanDerWaalsContact CD2-CG2 3.46Å; L73-I105 HydrophobicContact CG-CD1 4.14Å; L73-I105 HydrophobicContact CG-CG2 4.04Å; G102-I105 VanDerWaalsContact O-CG1 3.26Å; G102-I105 WeakPolarHBondContact O-CG1 3.22Å; G102-I105 PolarHBondContact O-N 3.27Å; G102-I105 VanDerWaalsContact O-N 3.12Å; T103-I105 PolarHBondContact O-N 3.33Å; I105-L107 VanDerWaalsContact C-N 3.3Å; I105-L107 HydrophobicContact CD1-CD1 4.49Å; I105-L107 HydrophobicContact CG1-CB 4.24Å; I105-L107 PolarHBondContact O-N 2.98Å |
| 106 | G | 92.5 | Very high | 92.9 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 35.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G102 T103 K108 H130 | G102-G106 PolarHBondContact O-N 3.36Å; T103-G106 PolarHBondContact O-N 3Å; G106-K108 PolarHBondContact O-N 3.02Å; G106-H130 PolarHBondContact O-CE1 3.39Å |
| 107 | L | 97.7 | Very high | 93 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 12% | 0.12 | 27% | 0.268 | C | S | . | . | trans | -59 | 135 | -179.2 | -169.8 | 74.4 | 0 | 0 | 0 | 110.9 | L69 L72 F98 G102 I105 V109 H130 V131 | L69-L107 HydrophobicContact CD2-CD1 3.55Å; L69-L107 HydrophobicContact CD2-CD2 3.67Å; L69-L107 HydrophobicContact CD2-CG 4.22Å; L72-L107 HydrophobicContact CD2-CD1 3.41Å; L72-L107 VanDerWaalsContact CD2-CD1 3.41Å; F98-L107 HydrophobicContact CB-CD2 3.88Å; F98-L107 HydrophobicContact CD1-CD2 4.25Å; F98-L107 WeakPolarHBondContact O-CD2 3.42Å; G102-L107 WeakPolarHBondContact O-CB 3.37Å; G102-L107 PolarHBondContact O-N 3.42Å; I105-L107 VanDerWaalsContact C-N 3.3Å; I105-L107 HydrophobicContact CD1-CD1 4.49Å; I105-L107 HydrophobicContact CG1-CB 4.24Å; I105-L107 PolarHBondContact O-N 2.98Å; L107-V109 HydrophobicContact CD2-CG2 3.54Å; L107-V109 HydrophobicContact CG-CG2 3.9Å; L107-H130 HydrophobicContact CD1-CB 3.87Å; L107-V131 HydrophobicContact CD1-CG2 4.04Å; L107-V131 HydrophobicContact CD2-CG2 4.49Å | ||
| 108 | K | 97.9 | Very high | 93.1 | Very high | 99 Ų | 99 | 41.8 Ų | 41.8 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | trans | -111.3 | 120.3 | 170.8 | -58.9 | -163 | -168 | 172.7 | 0 | 108.9 | G106 P129 H130 V131 | G106-K108 PolarHBondContact O-N 3.02Å; K108-P129 HydrophobicContact CB-CB 4.39Å; K108-P129 WeakPolarHBondContact O-CB 3.05Å; K108-H130 PolarHBondContact N-ND1 3.33Å; K108-H130 PolarHBondContact O-N 3.16Å; K108-V131 PolarHBondContact O-N 2.99Å | ||
| 109 | V | 98.4 | Very high | 93 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 14% | 0.139 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 144.7 | 178.1 | -170.3 | 0 | 0 | 0 | 0 | 109 | A95 F98 E99 L107 V131 V133 | A95-V109 HydrophobicContact CB-CG1 3.71Å; F98-V109 HydrophobicContact CB-CG2 3.92Å; E99-V109 HydrophobicContact CG-CB 3.95Å; E99-V109 HydrophobicContact CG-CG2 3.64Å; L107-V109 HydrophobicContact CD2-CG2 3.54Å; L107-V109 HydrophobicContact CG-CG2 3.9Å; V109-V131 CarbonylContact C-O 3.24Å; V109-V131 WeakPolarHBondContact CA-O 3.36Å; V109-V131 HydrophobicContact CG1-CB 4.33Å; V109-V131 HydrophobicContact CG1-CG1 4.34Å; V109-V131 HydrophobicContact CG2-CB 4.27Å; V109-V133 HydrophobicContact CG1-CG2 3.99Å |
| 110 | A | 98.2 | Very high | 93 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I112 C124 P129 V131 I132 V133 | A110-I112 HydrophobicContact CB-CD1 4.48Å; A110-C124 HydrophobicContact CB-CB 4.48Å; A110-P129 HydrophobicContact CB-CB 3.97Å; A110-P129 HydrophobicContact CB-CG 3.67Å; A110-V131 PolarHBondContact N-O 2.86Å; A110-I132 WeakPolarHBondContact O-CA 3.27Å; A110-V133 PolarHBondContact O-N 3.49Å |
| 111 | V | 97.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 44 Ų | 44 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | A91 F92 A95 V113 V133 | A91-V111 HydrophobicContact CB-CG1 3.91Å; F92-V111 HydrophobicContact CD1-CB 4.2Å; F92-V111 HydrophobicContact CD1-CG1 3.99Å; F92-V111 HydrophobicContact CD1-CG2 3.96Å; F92-V111 HydrophobicContact CD2-CG1 4.11Å; F92-V111 HydrophobicContact CE1-CB 3.95Å; F92-V111 HydrophobicContact CE1-CG1 3.85Å; F92-V111 HydrophobicContact CE1-CG2 4.16Å; F92-V111 HydrophobicContact CE2-CG1 3.97Å; F92-V111 HydrophobicContact CG-CG1 4.11Å; F92-V111 HydrophobicContact CZ-CB 4.31Å; F92-V111 HydrophobicContact CZ-CG1 3.83Å; A95-V111 HydrophobicContact CB-CG2 3.3Å; V111-V113 HydrophobicContact CG1-CB 4.47Å; V111-V113 HydrophobicContact CG1-CG1 3.6Å; V111-V113 HydrophobicContact CG1-CG2 4.05Å; V111-V133 CarbonylContact C-O 3.49Å; V111-V133 VanDerWaalsContact CA-O 3.29Å; V111-V133 WeakPolarHBondContact CA-O 3.49Å |
| 112 | I | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 102.1 | -172.5 | -55.9 | -61.2 | 0 | 0 | 0 | 110.4 | A110 Q121 L125 I132 V133 A134 T135 R138 L139 H142 | A110-I112 HydrophobicContact CB-CD1 4.48Å; I112-Q121 HydrophobicContact CD1-CB 4.02Å; I112-Q121 HydrophobicContact CD1-CG 4.26Å; I112-L125 HydrophobicContact CD1-CD1 3.97Å; I112-L125 HydrophobicContact CD1-CD2 3.69Å; I112-L125 HydrophobicContact CD1-CG 3.67Å; I112-L125 HydrophobicContact CG1-CD2 3.92Å; I112-L125 HydrophobicContact CG1-CG 4.38Å; I112-I132 HydrophobicContact CB-CG2 4.45Å; I112-I132 HydrophobicContact CG1-CG2 3.85Å; I112-V133 PolarHBondContact N-O 3.05Å; I112-A134 HydrophobicContact CB-CB 3.86Å; I112-A134 HydrophobicContact CG2-CB 4.43Å; I112-A134 WeakPolarHBondContact O-CA 3.28Å; I112-A134 WeakPolarHBondContact O-CB 3.47Å; I112-T135 PolarHBondContact O-N 3.23Å; I112-R138 HydrophobicContact CG2-CB 4.45Å; I112-R138 HydrophobicContact CG2-CG 3.77Å; I112-L139 HydrophobicContact CG2-CD1 4.5Å; I112-H142 VanDerWaalsContact CG2-CD2 3.46Å; I112-H142 WeakPolarHBondContact CG2-CD2 3.46Å |
| 113 | V | 95 | Very high | 93.6 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | trans | -148.7 | 151 | -161.3 | -65.8 | 0 | 0 | 0 | 0 | 113.2 | R88 A91 F92 V111 V116 Q121 T135 | R88-V113 HydrophobicContact CB-CB 3.95Å; R88-V113 HydrophobicContact CB-CG1 4.11Å; R88-V113 HydrophobicContact CB-CG2 4.41Å; R88-V113 HydrophobicContact CG-CB 3.72Å; R88-V113 HydrophobicContact CG-CG1 4Å; R88-V113 HydrophobicContact CG-CG2 3.62Å; A91-V113 HydrophobicContact CB-CG1 3.7Å; F92-V113 HydrophobicContact CE2-CG2 4Å; F92-V113 HydrophobicContact CZ-CG2 4.32Å; V111-V113 HydrophobicContact CG1-CB 4.47Å; V111-V113 HydrophobicContact CG1-CG1 3.6Å; V111-V113 HydrophobicContact CG1-CG2 4.05Å; V113-V116 HydrophobicContact CG2-CB 4.27Å; V113-V116 HydrophobicContact CG2-CG2 3.72Å; V113-Q121 PolarHBondContact O-NE2 3.44Å; V113-T135 HydrophobicContact CG1-CG2 4.15Å | ||
| 114 | G | 87.8 | Confident | 93.9 | Very high | 30 Ų | 30 | 48 Ų | 48 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 151.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R88 V116 | R88-G114 WeakPolarHBondContact CD-O 3.32Å; R88-G114 PolarHBondContact NH1-O 3.33Å; R88-G114 VanDerWaalsContact NH1-O 3.16Å; G114-V116 PolarHBondContact O-N 3.35Å |
| 115 | G | 84.7 | Confident | 94.5 | Very high | 68 Ų | 68 | 44.4 Ų | 44.4 | 70% | 0.701 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 10.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 116 | V | 84.6 | Confident | 94.7 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -108.9 | 144.8 | 164.6 | 176.6 | 0 | 0 | 0 | 0 | 107.4 | V113 G114 M118 Q121 R138 | V113-V116 HydrophobicContact CG2-CB 4.27Å; V113-V116 HydrophobicContact CG2-CG2 3.72Å; G114-V116 PolarHBondContact O-N 3.35Å; V116-M118 PolarHBondContact O-N 3.08Å; V116-Q121 HydrophobicContact CG1-CG 4.09Å; V116-Q121 PolarHBondContact O-NE2 3.5Å; V116-R138 PolarHBondContact O-NH1 2.92Å |
| 117 | D | 91.6 | Very high | 94.9 | Very high | 87 Ų | 87 | 50.6 Ų | 50.6 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | trans | -52.7 | 135.4 | -178.1 | 171 | 53.2 | 0 | 0 | 0 | 112.5 | V119 T120 Q121 | D117-V119 PolarHBondContact OD2-N 3.46Å; D117-T120 VanDerWaalsContact OD2-CB 3.31Å; D117-T120 WeakPolarHBondContact OD2-CB 3.25Å; D117-T120 PolarHBondContact OD2-N 2.93Å; D117-T120 PolarHBondContact OD2-OG1 3.35Å; D117-Q121 WeakPolarHBondContact O-CG 3.45Å; D117-Q121 PolarHBondContact O-N 3.19Å; D117-Q121 PolarHBondContact O-NE2 3.4Å | ||
| 118 | M | 93.9 | Very high | 94.9 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 27% | 0.271 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.2 | -39.6 | -175.3 | -171 | 69.5 | 178.2 | 0 | 0 | 111.4 | V116 Q121 A122 R138 D141 H142 | V116-M118 PolarHBondContact O-N 3.08Å; M118-Q121 PolarHBondContact O-N 3.47Å; M118-A122 WeakPolarHBondContact O-CB 3.35Å; M118-A122 PolarHBondContact O-N 3.31Å; M118-R138 PolarHBondContact SD-NH1 3.5Å; M118-R138 VanDerWaalsContact SD-NH1 3.45Å; M118-D141 HydrophobicContact CE-CB 3.99Å; M118-H142 HydrophobicContact CE-CB 4.48Å; M118-H142 VanDerWaalsContact CE-CE1 3.47Å; M118-H142 WeakPolarHBondContact CE-CE1 3.46Å; M118-H142 WeakPolarHBondContact CE-ND1 3.33Å; M118-H142 PolarHBondContact O-CE1 3.46Å; M118-H142 PolarHBondContact SD-CE1 3.25Å; M118-H142 PolarHBondContact SD-NE2 3.23Å; M118-H142 VanDerWaalsContact SD-NE2 3.42Å |
| 119 | V | 94.9 | Very high | 94.9 | Very high | 93 Ų | 93 | 50.8 Ų | 50.8 | 56% | 0.564 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68 | -44.5 | -177.4 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | D117 Q121 A122 L123 | D117-V119 PolarHBondContact OD2-N 3.46Å; V119-Q121 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 3.48Å; V119-A122 WeakPolarHBondContact O-CB 3.31Å; V119-A122 PolarHBondContact O-N 3.3Å; V119-A122 VanDerWaalsContact O-N 3.16Å; V119-L123 HydrophobicContact CG1-CD1 4.39Å; V119-L123 WeakPolarHBondContact O-CG 3.24Å; V119-L123 PolarHBondContact O-N 3.48Å |
| 120 | T | 95.1 | Very high | 94.9 | Very high | 74 Ų | 74 | 51 Ų | 51 | 45% | 0.454 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58 | -45 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | D117 L123 C124 | D117-T120 VanDerWaalsContact OD2-CB 3.31Å; D117-T120 WeakPolarHBondContact OD2-CB 3.25Å; D117-T120 PolarHBondContact OD2-N 2.93Å; D117-T120 PolarHBondContact OD2-OG1 3.35Å; T120-L123 PolarHBondContact O-N 3Å; T120-C124 PolarHBondContact O-N 2.9Å; T120-C124 PolarHBondContact O-SG 3.47Å; T120-C124 VanDerWaalsContact O-SG 3.39Å |
| 121 | Q | 97.6 | Very high | 95 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 175.7 | -72.9 | -179.3 | 66.9 | 0 | 0 | 112.2 | I112 V113 V116 D117 M118 V119 L123 C124 L125 H142 | I112-Q121 HydrophobicContact CD1-CB 4.02Å; I112-Q121 HydrophobicContact CD1-CG 4.26Å; V113-Q121 PolarHBondContact O-NE2 3.44Å; V116-Q121 HydrophobicContact CG1-CG 4.09Å; V116-Q121 PolarHBondContact O-NE2 3.5Å; D117-Q121 WeakPolarHBondContact O-CG 3.45Å; D117-Q121 PolarHBondContact O-N 3.19Å; D117-Q121 PolarHBondContact O-NE2 3.4Å; M118-Q121 PolarHBondContact O-N 3.47Å; V119-Q121 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 3.48Å; Q121-L123 VanDerWaalsContact C-N 3.33Å; Q121-L123 PolarHBondContact O-N 3.48Å; Q121-C124 WeakPolarHBondContact O-CB 3.42Å; Q121-C124 PolarHBondContact O-N 3.34Å; Q121-C124 VanDerWaalsContact O-N 3.16Å; Q121-L125 WeakPolarHBondContact O-CG 3.41Å; Q121-L125 PolarHBondContact O-N 3Å; Q121-H142 VanDerWaalsContact CB-NE2 3.27Å; Q121-H142 WeakPolarHBondContact CB-NE2 3.37Å |
| 122 | A | 97.3 | Very high | 95 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 22% | 0.223 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | M118 V119 L125 A126 T146 | M118-A122 WeakPolarHBondContact O-CB 3.35Å; M118-A122 PolarHBondContact O-N 3.31Å; V119-A122 WeakPolarHBondContact O-CB 3.31Å; V119-A122 PolarHBondContact O-N 3.3Å; V119-A122 VanDerWaalsContact O-N 3.16Å; A122-L125 PolarHBondContact O-N 3.5Å; A122-A126 WeakPolarHBondContact O-CB 3.49Å; A122-A126 PolarHBondContact O-N 3.42Å; A122-T146 HydrophobicContact CB-CG2 3.85Å |
| 123 | L | 96.2 | Very high | 95 | Very high | 110 Ų | 110 | 49.3 Ų | 49.3 | 58% | 0.576 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.7 | -38.3 | 174.1 | -68.4 | 173.5 | 0 | 0 | 0 | 112.2 | V119 T120 Q121 A126 K127 | V119-L123 HydrophobicContact CG1-CD1 4.39Å; V119-L123 WeakPolarHBondContact O-CG 3.24Å; V119-L123 PolarHBondContact O-N 3.48Å; T120-L123 PolarHBondContact O-N 3Å; Q121-L123 VanDerWaalsContact C-N 3.33Å; Q121-L123 PolarHBondContact O-N 3.48Å; L123-A126 PolarHBondContact O-N 3.28Å; L123-K127 PolarHBondContact O-N 3.24Å |
| 124 | C | 95.9 | Very high | 95.2 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 173.2 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | A110 T120 Q121 A126 K127 | A110-C124 HydrophobicContact CB-CB 4.48Å; T120-C124 PolarHBondContact O-N 2.9Å; T120-C124 PolarHBondContact O-SG 3.47Å; T120-C124 VanDerWaalsContact O-SG 3.39Å; Q121-C124 WeakPolarHBondContact O-CB 3.42Å; Q121-C124 PolarHBondContact O-N 3.34Å; Q121-C124 VanDerWaalsContact O-N 3.16Å; C124-A126 VanDerWaalsContact C-N 3.35Å; C124-A126 PolarHBondContact O-N 3.14Å; C124-K127 WeakPolarHBondContact O-CB 3.38Å; C124-K127 PolarHBondContact O-N 2.96Å |
| 125 | L | 98 | Very high | 95.6 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 176.3 | -70.1 | 175.8 | 0 | 0 | 0 | 112.3 | I112 Q121 A122 K127 K128 I132 H142 F149 | I112-L125 HydrophobicContact CD1-CD1 3.97Å; I112-L125 HydrophobicContact CD1-CD2 3.69Å; I112-L125 HydrophobicContact CD1-CG 3.67Å; I112-L125 HydrophobicContact CG1-CD2 3.92Å; I112-L125 HydrophobicContact CG1-CG 4.38Å; Q121-L125 WeakPolarHBondContact O-CG 3.41Å; Q121-L125 PolarHBondContact O-N 3Å; A122-L125 PolarHBondContact O-N 3.5Å; L125-K127 PolarHBondContact O-N 3.15Å; L125-K128 WeakPolarHBondContact O-CA 3.29Å; L125-K128 PolarHBondContact O-N 3.48Å; L125-I132 HydrophobicContact CD2-CD1 3.75Å; L125-I132 HydrophobicContact CD2-CG1 4.27Å; L125-H142 HydrophobicContact CD1-CB 3.84Å; L125-F149 HydrophobicContact CB-CD2 4.1Å; L125-F149 HydrophobicContact CB-CE2 4.42Å; L125-F149 HydrophobicContact CD1-CD1 4.03Å; L125-F149 HydrophobicContact CD1-CD2 4.05Å; L125-F149 HydrophobicContact CD1-CE1 4.02Å; L125-F149 HydrophobicContact CD1-CE2 4.08Å; L125-F149 HydrophobicContact CD1-CG 4.03Å; L125-F149 HydrophobicContact CD1-CZ 4.05Å; L125-F149 HydrophobicContact CD2-CD2 4.16Å; L125-F149 HydrophobicContact CD2-CE2 3.62Å; L125-F149 HydrophobicContact CD2-CZ 3.92Å; L125-F149 HydrophobicContact CG-CD2 4.33Å; L125-F149 HydrophobicContact CG-CE2 4.25Å |
| 126 | A | 96.6 | Very high | 96.2 | Very high | 75 Ų | 75 | 45.3 Ų | 45.3 | 62% | 0.62 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.8 | -26.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | A122 L123 C124 K128 | A122-A126 WeakPolarHBondContact O-CB 3.49Å; A122-A126 PolarHBondContact O-N 3.42Å; L123-A126 PolarHBondContact O-N 3.28Å; C124-A126 VanDerWaalsContact C-N 3.35Å; C124-A126 PolarHBondContact O-N 3.14Å; A126-K128 PolarHBondContact O-N 2.93Å |
| 127 | K | 96.7 | Very high | 96.7 | Very high | 150 Ų | 150 | 43.9 Ų | 43.9 | 65% | 0.652 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -2.4 | 173.3 | -65.5 | 175.7 | -177.4 | 177 | 0 | 113.7 | L123 C124 L125 | L123-K127 PolarHBondContact O-N 3.24Å; C124-K127 WeakPolarHBondContact O-CB 3.38Å; C124-K127 PolarHBondContact O-N 2.96Å; L125-K127 PolarHBondContact O-N 3.15Å |
| 128 | K | 97.1 | Very high | 97 | Very high | 122 Ų | 122 | 42 Ų | 42 | 53% | 0.53 | 23% | 0.234 | S | C | . | . | trans | 49.9 | 72 | 179.5 | -60 | -174.7 | 178.5 | -179.4 | 0 | 111.3 | R78 L125 A126 | R78-K128 HydrophobicContact CB-CB 3.89Å; R78-K128 WeakPolarHBondContact CD-O 3.36Å; R78-K128 HydrophobicContact CG-CB 3.96Å; R78-K128 PolarHBondContact NH1-O 3.45Å; L125-K128 WeakPolarHBondContact O-CA 3.29Å; L125-K128 PolarHBondContact O-N 3.48Å; A126-K128 PolarHBondContact O-N 2.93Å | ||
| 129 | P | 98.1 | Very high | 97.2 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | trans | -60 | 160.2 | 175.7 | 30.2 | -38.4 | 0 | 0 | 0 | 110.9 | L79 K108 A110 I132 | L79-P129 WeakPolarHBondContact CA-O 3.45Å; L79-P129 HydrophobicContact CD2-CG 4.31Å; L79-P129 PolarHBondContact N-O 3.09Å; K108-P129 HydrophobicContact CB-CB 4.39Å; K108-P129 WeakPolarHBondContact O-CB 3.05Å; A110-P129 HydrophobicContact CB-CB 3.97Å; A110-P129 HydrophobicContact CB-CG 3.67Å; P129-I132 HydrophobicContact CG-CD1 4.28Å; P129-I132 HydrophobicContact CG-CG1 3.73Å | ||
| 130 | H | 98.6 | Very high | 97.3 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 12% | 0.12 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -75 | -40.4 | 171.9 | -52 | 134.3 | 0 | 0 | 0 | 110.4 | L72 Q77 R78 F80 A81 G106 L107 K108 | L72-H130 HydrophobicContact CD1-CB 4.48Å; L72-H130 HydrophobicContact CD2-CB 3.76Å; Q77-H130 PolarHBondContact O-CD2 3.06Å; R78-H130 PolarHBondContact NH1-NE2 3.34Å; F80-H130 WeakPolarHBondContact CB-O 3.47Å; F80-H130 PolarHBondContact N-O 3.31Å; A81-H130 PolarHBondContact N-O 3.35Å; G106-H130 PolarHBondContact O-CE1 3.39Å; L107-H130 HydrophobicContact CD1-CB 3.87Å; K108-H130 PolarHBondContact N-ND1 3.33Å; K108-H130 PolarHBondContact O-N 3.16Å |
| 131 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 133.6 | -176.3 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | A81 I83 F98 L107 K108 V109 A110 V133 | A81-V131 HydrophobicContact CB-CG1 4.49Å; A81-V131 HydrophobicContact CB-CG2 4.31Å; A81-V131 WeakPolarHBondContact O-CA 3.5Å; I83-V131 HydrophobicContact CD1-CG1 3.24Å; F98-V131 HydrophobicContact CD1-CG1 4.22Å; F98-V131 HydrophobicContact CD1-CG2 4.11Å; F98-V131 HydrophobicContact CD2-CG1 4.24Å; F98-V131 HydrophobicContact CE1-CG1 4.25Å; F98-V131 HydrophobicContact CE1-CG2 4.24Å; F98-V131 HydrophobicContact CE2-CG1 4.26Å; F98-V131 HydrophobicContact CG-CG1 4.22Å; F98-V131 HydrophobicContact CZ-CG1 4.28Å; L107-V131 HydrophobicContact CD1-CG2 4.04Å; L107-V131 HydrophobicContact CD2-CG2 4.49Å; K108-V131 PolarHBondContact O-N 2.99Å; V109-V131 CarbonylContact C-O 3.24Å; V109-V131 WeakPolarHBondContact CA-O 3.36Å; V109-V131 HydrophobicContact CG1-CB 4.33Å; V109-V131 HydrophobicContact CG1-CG1 4.34Å; V109-V131 HydrophobicContact CG2-CB 4.27Å; A110-V131 PolarHBondContact N-O 2.86Å; V131-V133 HydrophobicContact CG1-CG2 4.26Å |
| 132 | I | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.9 | 171 | -64.7 | 171.2 | 0 | 0 | 0 | 108.1 | L79 A81 L82 I83 A110 I112 L125 P129 A134 L139 F149 L151 | L79-I132 HydrophobicContact CD2-CD1 3.69Å; A81-I132 PolarHBondContact O-N 3.39Å; L82-I132 CarbonylContact C-O 3.58Å; L82-I132 WeakPolarHBondContact CA-O 3.27Å; L82-I132 HydrophobicContact CD1-CB 4.11Å; L82-I132 HydrophobicContact CD1-CG2 3.84Å; I83-I132 PolarHBondContact N-O 3.46Å; A110-I132 WeakPolarHBondContact O-CA 3.27Å; I112-I132 HydrophobicContact CB-CG2 4.45Å; I112-I132 HydrophobicContact CG1-CG2 3.85Å; L125-I132 HydrophobicContact CD2-CD1 3.75Å; L125-I132 HydrophobicContact CD2-CG1 4.27Å; P129-I132 HydrophobicContact CG-CD1 4.28Å; P129-I132 HydrophobicContact CG-CG1 3.73Å; I132-A134 HydrophobicContact CG2-CB 4.19Å; I132-L139 HydrophobicContact CG2-CD1 4.49Å; I132-F149 HydrophobicContact CD1-CE2 3.83Å; I132-F149 HydrophobicContact CD1-CZ 3.96Å; I132-L151 HydrophobicContact CD1-CD2 3.93Å |
| 133 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124 | 170.8 | -167.6 | 0 | 0 | 0 | 0 | 108 | I83 T85 A91 I94 A95 V109 A110 V111 I112 V131 | I83-V133 HydrophobicContact CB-CG1 4.2Å; I83-V133 HydrophobicContact CB-CG2 4.41Å; I83-V133 HydrophobicContact CD1-CG2 4.34Å; I83-V133 HydrophobicContact CG2-CG1 4.33Å; I83-V133 CarbonylContact O-C 3.57Å; I83-V133 WeakPolarHBondContact O-CA 3.37Å; T85-V133 HydrophobicContact CG2-CG1 4.28Å; A91-V133 HydrophobicContact CB-CG1 3.8Å; A91-V133 WeakPolarHBondContact O-CG1 3.36Å; I94-V133 HydrophobicContact CB-CG1 3.94Å; I94-V133 HydrophobicContact CG2-CG1 3.83Å; I94-V133 HydrophobicContact CG2-CG2 3.92Å; A95-V133 HydrophobicContact CB-CB 4.5Å; A95-V133 HydrophobicContact CB-CG2 4.05Å; V109-V133 HydrophobicContact CG1-CG2 3.99Å; A110-V133 PolarHBondContact O-N 3.49Å; V111-V133 CarbonylContact C-O 3.49Å; V111-V133 VanDerWaalsContact CA-O 3.29Å; V111-V133 WeakPolarHBondContact CA-O 3.49Å; I112-V133 PolarHBondContact N-O 3.05Å; V131-V133 HydrophobicContact CG1-CG2 4.26Å |
| 134 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 151.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L82 I83 L84 T85 I112 I132 L139 | L82-A134 HydrophobicContact CD1-CB 4.33Å; I83-A134 PolarHBondContact O-N 3.22Å; L84-A134 WeakPolarHBondContact CA-O 3.2Å; L84-A134 HydrophobicContact CD2-CB 4.38Å; T85-A134 PolarHBondContact N-O 3.06Å; I112-A134 HydrophobicContact CB-CB 3.86Å; I112-A134 HydrophobicContact CG2-CB 4.43Å; I112-A134 WeakPolarHBondContact O-CA 3.28Å; I112-A134 WeakPolarHBondContact O-CB 3.47Å; I132-A134 HydrophobicContact CG2-CB 4.19Å; A134-L139 HydrophobicContact CB-CB 4.01Å; A134-L139 HydrophobicContact CB-CD1 4.31Å; A134-L139 HydrophobicContact CB-CD2 4.36Å; A134-L139 HydrophobicContact CB-CG 4.46Å |
| 135 | T | 95.8 | Very high | 97.5 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | trans | -84.6 | 138.4 | 159.9 | 54.5 | 0 | 0 | 0 | 0 | 109.6 | T85 I112 V113 G137 R138 L139 | T85-T135 WeakPolarHBondContact O-CA 3.29Å; I112-T135 PolarHBondContact O-N 3.23Å; V113-T135 HydrophobicContact CG1-CG2 4.15Å; T135-G137 PolarHBondContact O-N 3.32Å; T135-R138 PolarHBondContact O-N 2.89Å; T135-L139 PolarHBondContact O-N 3.27Å; T135-L139 VanDerWaalsContact O-N 3.15Å | ||
| 136 | P | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.4 | -48.4 | -172.6 | -29.3 | 35.3 | 0 | 0 | 0 | 114.7 | R138 L139 V140 I165 F170 E173 M174 I177 | P136-R138 PolarHBondContact O-N 3.44Å; P136-L139 PolarHBondContact O-N 2.98Å; P136-V140 WeakPolarHBondContact O-CG2 3.3Å; P136-V140 PolarHBondContact O-N 3.32Å; P136-I165 HydrophobicContact CG-CG2 3.91Å; P136-F170 HydrophobicContact CB-CB 4.03Å; P136-F170 HydrophobicContact CB-CD1 4.33Å; P136-F170 HydrophobicContact CB-CG 4.16Å; P136-F170 HydrophobicContact CG-CB 4.08Å; P136-F170 HydrophobicContact CG-CD2 4.36Å; P136-F170 HydrophobicContact CG-CG 4.18Å; P136-E173 HydrophobicContact CB-CB 3.78Å; P136-M174 HydrophobicContact CB-SD 4.36Å; P136-M174 HydrophobicContact CG-SD 3.96Å; P136-I177 HydrophobicContact CB-CD1 4.04Å |
| 137 | G | 95.6 | Very high | 97.3 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.6 | -52 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T135 L139 V140 D141 | T135-G137 PolarHBondContact O-N 3.32Å; G137-L139 VanDerWaalsContact C-N 3.32Å; G137-L139 PolarHBondContact O-N 3.5Å; G137-V140 PolarHBondContact O-N 3.01Å; G137-D141 PolarHBondContact O-N 3.12Å; G137-D141 VanDerWaalsContact O-N 3.09Å |
| 138 | R | 96.9 | Very high | 97.1 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 18% | 0.181 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.5 | -33.4 | 179.2 | -177.2 | 52.8 | 53.4 | 125.1 | 3.6 | 112.7 | I112 V116 M118 T135 P136 D141 H142 | I112-R138 HydrophobicContact CG2-CB 4.45Å; I112-R138 HydrophobicContact CG2-CG 3.77Å; V116-R138 PolarHBondContact O-NH1 2.92Å; M118-R138 PolarHBondContact SD-NH1 3.5Å; M118-R138 VanDerWaalsContact SD-NH1 3.45Å; T135-R138 PolarHBondContact O-N 2.89Å; P136-R138 PolarHBondContact O-N 3.44Å; R138-D141 IonicContact CZ-OD2 3.06Å; R138-D141 IonicContact NE-OD2 2.62Å; R138-D141 PolarHBondContact NE-OD2 2.93Å; R138-D141 WeakPolarHBondContact O-CB 3.4Å; R138-D141 PolarHBondContact O-N 2.97Å; R138-H142 PolarHBondContact O-CD2 2.86Å; R138-H142 VanDerWaalsContact O-CD2 3.32Å; R138-H142 PolarHBondContact O-N 3.46Å |
| 139 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.2 | -175.7 | 65.8 | 0 | 0 | 0 | 111.4 | L82 L84 I112 I132 A134 T135 P136 G137 D141 H142 L143 F149 L151 I177 | L82-L139 HydrophobicContact CD1-CD1 4.49Å; L82-L139 HydrophobicContact CD1-CD2 3.65Å; L82-L139 HydrophobicContact CD2-CD2 3.6Å; L82-L139 HydrophobicContact CG-CD2 4.26Å; L84-L139 HydrophobicContact CD2-CD2 3.69Å; I112-L139 HydrophobicContact CG2-CD1 4.5Å; I132-L139 HydrophobicContact CG2-CD1 4.49Å; A134-L139 HydrophobicContact CB-CB 4.01Å; A134-L139 HydrophobicContact CB-CD1 4.31Å; A134-L139 HydrophobicContact CB-CD2 4.36Å; A134-L139 HydrophobicContact CB-CG 4.46Å; T135-L139 PolarHBondContact O-N 3.27Å; T135-L139 VanDerWaalsContact O-N 3.15Å; P136-L139 PolarHBondContact O-N 2.98Å; G137-L139 VanDerWaalsContact C-N 3.32Å; G137-L139 PolarHBondContact O-N 3.5Å; L139-D141 VanDerWaalsContact C-N 3.33Å; L139-D141 PolarHBondContact O-N 3.49Å; L139-H142 PolarHBondContact O-N 2.92Å; L139-H142 VanDerWaalsContact O-N 3.17Å; L139-L143 HydrophobicContact CD2-CD1 4.43Å; L139-L143 HydrophobicContact CG-CD1 3.97Å; L139-L143 HydrophobicContact CG-CG 4.41Å; L139-L143 WeakPolarHBondContact O-CG 3.15Å; L139-L143 PolarHBondContact O-N 2.78Å; L139-F149 HydrophobicContact CD1-CE1 4.01Å; L139-F149 HydrophobicContact CD1-CZ 4.05Å; L139-L151 HydrophobicContact CD2-CD1 4.4Å; L139-I177 HydrophobicContact CB-CD1 4.49Å; L139-I177 HydrophobicContact CD2-CD1 3.88Å; L139-I177 HydrophobicContact CD2-CG1 4.1Å; L139-I177 HydrophobicContact CD2-CG2 4.35Å |
| 140 | V | 98.2 | Very high | 97 | Very high | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 175.4 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | P136 G137 H142 L143 E144 E173 K176 I177 | P136-V140 WeakPolarHBondContact O-CG2 3.3Å; P136-V140 PolarHBondContact O-N 3.32Å; G137-V140 PolarHBondContact O-N 3.01Å; V140-H142 PolarHBondContact O-N 3.29Å; V140-L143 PolarHBondContact O-N 2.81Å; V140-L143 VanDerWaalsContact O-N 3.11Å; V140-E144 HydrophobicContact CG1-CG 4.2Å; V140-E144 WeakPolarHBondContact O-CG 3.21Å; V140-E144 PolarHBondContact O-N 2.92Å; V140-E173 HydrophobicContact CG2-CB 3.84Å; V140-E173 HydrophobicContact CG2-CG 4.17Å; V140-K176 HydrophobicContact CG1-CD 3.8Å; V140-K176 HydrophobicContact CG2-CB 4.31Å; V140-I177 HydrophobicContact CG2-CD1 4.09Å; V140-I177 HydrophobicContact CG2-CG1 3.81Å |
| 141 | D | 97.7 | Very high | 97 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 33% | 0.326 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -53.9 | -43.1 | 175.7 | -64.1 | -26.7 | 0 | 0 | 0 | 111.5 | M118 G137 R138 L139 N145 | M118-D141 HydrophobicContact CE-CB 3.99Å; G137-D141 PolarHBondContact O-N 3.12Å; G137-D141 VanDerWaalsContact O-N 3.09Å; R138-D141 IonicContact CZ-OD2 3.06Å; R138-D141 IonicContact NE-OD2 2.62Å; R138-D141 PolarHBondContact NE-OD2 2.93Å; R138-D141 WeakPolarHBondContact O-CB 3.4Å; R138-D141 PolarHBondContact O-N 2.97Å; L139-D141 VanDerWaalsContact C-N 3.33Å; L139-D141 PolarHBondContact O-N 3.49Å; D141-N145 VanDerWaalsContact O-CB 3.23Å; D141-N145 WeakPolarHBondContact O-CB 3.47Å; D141-N145 PolarHBondContact O-N 3.33Å; D141-N145 PolarHBondContact O-ND2 3.1Å |
| 142 | H | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.4 | -40.9 | 177.8 | -80.9 | -71.4 | 0 | 0 | 0 | 112.8 | I112 M118 Q121 L125 R138 L139 V140 E144 T146 F149 | I112-H142 VanDerWaalsContact CG2-CD2 3.46Å; I112-H142 WeakPolarHBondContact CG2-CD2 3.46Å; M118-H142 HydrophobicContact CE-CB 4.48Å; M118-H142 VanDerWaalsContact CE-CE1 3.47Å; M118-H142 WeakPolarHBondContact CE-CE1 3.46Å; M118-H142 WeakPolarHBondContact CE-ND1 3.33Å; M118-H142 PolarHBondContact O-CE1 3.46Å; M118-H142 PolarHBondContact SD-CE1 3.25Å; M118-H142 PolarHBondContact SD-NE2 3.23Å; M118-H142 VanDerWaalsContact SD-NE2 3.42Å; Q121-H142 VanDerWaalsContact CB-NE2 3.27Å; Q121-H142 WeakPolarHBondContact CB-NE2 3.37Å; L125-H142 HydrophobicContact CD1-CB 3.84Å; R138-H142 PolarHBondContact O-CD2 2.86Å; R138-H142 VanDerWaalsContact O-CD2 3.32Å; R138-H142 PolarHBondContact O-N 3.46Å; L139-H142 PolarHBondContact O-N 2.92Å; L139-H142 VanDerWaalsContact O-N 3.17Å; V140-H142 PolarHBondContact O-N 3.29Å; H142-E144 VanDerWaalsContact C-N 3.26Å; H142-E144 PolarHBondContact O-N 2.78Å; H142-T146 WeakPolarHBondContact CA-OG1 3.23Å; H142-T146 PolarHBondContact ND1-OG1 3.33Å; H142-T146 WeakPolarHBondContact O-CA 3.49Å; H142-T146 WeakPolarHBondContact O-CB 3.33Å; H142-T146 PolarHBondContact O-N 2.86Å; H142-T146 PolarHBondContact O-OG1 2.96Å; H142-F149 HydrophobicContact CB-CD1 3.91Å; H142-F149 HydrophobicContact CB-CE1 4Å |
| 143 | L | 97.8 | Very high | 96.7 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 20% | 0.199 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 176.7 | -73.8 | 165.7 | 0 | 0 | 0 | 112.2 | L139 V140 F149 L151 I177 V180 | L139-L143 HydrophobicContact CD2-CD1 4.43Å; L139-L143 HydrophobicContact CG-CD1 3.97Å; L139-L143 HydrophobicContact CG-CG 4.41Å; L139-L143 WeakPolarHBondContact O-CG 3.15Å; L139-L143 PolarHBondContact O-N 2.78Å; V140-L143 PolarHBondContact O-N 2.81Å; V140-L143 VanDerWaalsContact O-N 3.11Å; L143-F149 HydrophobicContact CD2-CD1 4.09Å; L143-F149 HydrophobicContact CD2-CE1 3.74Å; L143-F149 HydrophobicContact CD2-CZ 4.49Å; L143-F149 HydrophobicContact CG-CD1 4.41Å; L143-F149 HydrophobicContact CG-CE1 3.95Å; L143-L151 HydrophobicContact CD1-CD1 4.46Å; L143-L151 HydrophobicContact CD2-CD1 4.02Å; L143-L151 HydrophobicContact CD2-CG 4.06Å; L143-I177 HydrophobicContact CD1-CG1 4.13Å; L143-V180 HydrophobicContact CD1-CG2 3.9Å; L143-V180 HydrophobicContact CD2-CG2 4.2Å |
| 144 | E | 96.5 | Very high | 96.6 | Very high | 114 Ų | 114 | 50.3 Ų | 50.3 | 53% | 0.533 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -85.5 | -37.6 | -179 | -68 | -179.7 | 169.1 | 0 | 0 | 112.7 | V140 H142 K176 | V140-E144 HydrophobicContact CG1-CG 4.2Å; V140-E144 WeakPolarHBondContact O-CG 3.21Å; V140-E144 PolarHBondContact O-N 2.92Å; H142-E144 VanDerWaalsContact C-N 3.26Å; H142-E144 PolarHBondContact O-N 2.78Å; E144-K176 IonicContact OE1-NZ 2.67Å; E144-K176 PolarHBondContact OE1-NZ 3.14Å; E144-K176 IonicContact OE2-NZ 3.47Å |
| 145 | N | 96.2 | Very high | 96.6 | Very high | 114 Ų | 114 | 54.9 Ų | 54.9 | 61% | 0.61 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -115.4 | -12.6 | -166.4 | -54.6 | -71.8 | 0 | 0 | 0 | 114.9 | D141 | D141-N145 VanDerWaalsContact O-CB 3.23Å; D141-N145 WeakPolarHBondContact O-CB 3.47Å; D141-N145 PolarHBondContact O-N 3.33Å; D141-N145 PolarHBondContact O-ND2 3.1Å |
| 146 | T | 96.9 | Very high | 96.8 | Very high | 24 Ų | 24 | 54.7 Ų | 54.7 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -94.3 | 106.1 | 179.6 | -56.1 | 0 | 0 | 0 | 0 | 111 | A122 H142 G148 F149 | A122-T146 HydrophobicContact CB-CG2 3.85Å; H142-T146 WeakPolarHBondContact CA-OG1 3.23Å; H142-T146 PolarHBondContact ND1-OG1 3.33Å; H142-T146 WeakPolarHBondContact O-CA 3.49Å; H142-T146 WeakPolarHBondContact O-CB 3.33Å; H142-T146 PolarHBondContact O-N 2.86Å; H142-T146 PolarHBondContact O-OG1 2.96Å; T146-G148 PolarHBondContact O-N 3.13Å; T146-F149 HydrophobicContact CG2-CB 3.96Å; T146-F149 WeakPolarHBondContact O-CB 3.31Å; T146-F149 PolarHBondContact O-N 3.23Å; T146-F149 VanDerWaalsContact O-N 3.16Å |
| 147 | K | 92.5 | Very high | 96.8 | Very high | 205 Ų | 205 | 54.7 Ų | 54.7 | 89% | 0.891 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 130.9 | 180 | -66.6 | -176.2 | -179.7 | 178.6 | 0 | 111.6 | F149 | K147-F149 PolarHBondContact O-N 3.1Š|
| 148 | G | 92.9 | Very high | 97 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 92% | 0.918 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -3.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T146 | T146-G148 PolarHBondContact O-N 3.13Š|
| 149 | F | 97 | Very high | 97 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | trans | -83.6 | 124.3 | 171.4 | 179 | -120.1 | 0 | 0 | 0 | 110.3 | L79 L125 I132 L139 H142 L143 T146 K147 L151 | L79-F149 HydrophobicContact CD2-CE2 4.5Å; L125-F149 HydrophobicContact CB-CD2 4.1Å; L125-F149 HydrophobicContact CB-CE2 4.42Å; L125-F149 HydrophobicContact CD1-CD1 4.03Å; L125-F149 HydrophobicContact CD1-CD2 4.05Å; L125-F149 HydrophobicContact CD1-CE1 4.02Å; L125-F149 HydrophobicContact CD1-CE2 4.08Å; L125-F149 HydrophobicContact CD1-CG 4.03Å; L125-F149 HydrophobicContact CD1-CZ 4.05Å; L125-F149 HydrophobicContact CD2-CD2 4.16Å; L125-F149 HydrophobicContact CD2-CE2 3.62Å; L125-F149 HydrophobicContact CD2-CZ 3.92Å; L125-F149 HydrophobicContact CG-CD2 4.33Å; L125-F149 HydrophobicContact CG-CE2 4.25Å; I132-F149 HydrophobicContact CD1-CE2 3.83Å; I132-F149 HydrophobicContact CD1-CZ 3.96Å; L139-F149 HydrophobicContact CD1-CE1 4.01Å; L139-F149 HydrophobicContact CD1-CZ 4.05Å; H142-F149 HydrophobicContact CB-CD1 3.91Å; H142-F149 HydrophobicContact CB-CE1 4Å; L143-F149 HydrophobicContact CD2-CD1 4.09Å; L143-F149 HydrophobicContact CD2-CE1 3.74Å; L143-F149 HydrophobicContact CD2-CZ 4.49Å; L143-F149 HydrophobicContact CG-CD1 4.41Å; L143-F149 HydrophobicContact CG-CE1 3.95Å; T146-F149 HydrophobicContact CG2-CB 3.96Å; T146-F149 WeakPolarHBondContact O-CB 3.31Å; T146-F149 PolarHBondContact O-N 3.23Å; T146-F149 VanDerWaalsContact O-N 3.16Å; K147-F149 PolarHBondContact O-N 3.1Å; F149-L151 HydrophobicContact CE2-CD2 4.06Å; F149-L151 HydrophobicContact CZ-CD2 3.87Å; F149-L151 HydrophobicContact CZ-CG 4.07Å | ||
| 150 | A | 96.5 | Very high | 96.8 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 31% | 0.314 | 27% | 0.273 | S | S | . | . | trans | -153.8 | 148.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | L79 R152 | L79-A150 WeakPolarHBondContact CD1-O 3.28Å; A150-R152 HydrophobicContact CB-CG 4.24Å | ||
| 151 | L | 97.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | trans | -102.2 | 23.9 | -178.5 | -66.7 | 174.9 | 0 | 0 | 0 | 113.1 | L82 I132 L139 L143 F149 S153 L154 I181 P182 | L82-L151 HydrophobicContact CD2-CD1 3.89Å; I132-L151 HydrophobicContact CD1-CD2 3.93Å; L139-L151 HydrophobicContact CD2-CD1 4.4Å; L143-L151 HydrophobicContact CD1-CD1 4.46Å; L143-L151 HydrophobicContact CD2-CD1 4.02Å; L143-L151 HydrophobicContact CD2-CG 4.06Å; F149-L151 HydrophobicContact CE2-CD2 4.06Å; F149-L151 HydrophobicContact CZ-CD2 3.87Å; F149-L151 HydrophobicContact CZ-CG 4.07Å; L151-S153 PolarHBondContact O-N 3.35Å; L151-S153 VanDerWaalsContact O-N 3.08Å; L151-L154 WeakPolarHBondContact O-CB 3.38Å; L151-L154 PolarHBondContact O-N 3.33Å; L151-I181 HydrophobicContact CB-CG2 3.89Å; L151-I181 HydrophobicContact CD1-CG2 3.91Å; L151-P182 VanDerWaalsContact O-CD 3.24Å; L151-P182 WeakPolarHBondContact O-CD 3.38Å | ||
| 152 | R | 95.7 | Very high | 96.1 | Very high | 213 Ų | 213 | 48.7 Ų | 48.7 | 80% | 0.804 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.8 | -174.4 | -65.4 | 177.5 | -173.4 | -106.6 | 0.9 | 114.8 | A150 P182 | A150-R152 HydrophobicContact CB-CG 4.24Å; R152-P182 WeakPolarHBondContact O-CG 3.25Å |
| 153 | S | 95.3 | Very high | 95.5 | Very high | 49 Ų | 49 | 49 Ų | 49 | 34% | 0.343 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 3.5 | 178.8 | 60 | 0 | 0 | 0 | 0 | 113.7 | Q77 L151 K155 | Q77-S153 PolarHBondContact NE2-O 2.75Å; L151-S153 PolarHBondContact O-N 3.35Å; L151-S153 VanDerWaalsContact O-N 3.08Å; S153-K155 PolarHBondContact O-N 3.04Å |
| 154 | L | 98.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | trans | -58.7 | 133.8 | -175.2 | -169 | 77 | 0 | 0 | 0 | 111.5 | L79 L82 L151 F156 I181 P182 | L79-L154 WeakPolarHBondContact O-CA 3.25Å; L82-L154 HydrophobicContact CB-CD1 3.68Å; L82-L154 HydrophobicContact CB-CD2 3.9Å; L82-L154 HydrophobicContact CB-CG 4.43Å; L82-L154 HydrophobicContact CD2-CD2 4.46Å; L151-L154 WeakPolarHBondContact O-CB 3.38Å; L151-L154 PolarHBondContact O-N 3.33Å; L154-F156 WeakPolarHBondContact CD1-O 3.44Å; L154-F156 WeakPolarHBondContact CG-O 3.37Å; L154-I181 HydrophobicContact CD2-CB 4.12Å; L154-I181 HydrophobicContact CD2-CD1 4.3Å; L154-I181 HydrophobicContact CD2-CG2 3.98Å; L154-P182 HydrophobicContact CB-CG 4.45Å | ||
| 155 | K | 98.4 | Very high | 94.4 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 41% | 0.413 | 23% | 0.226 | S | C | . | . | trans | -107.7 | -28.9 | 177.2 | -63 | -60 | -173.7 | 177.1 | 0 | 112.8 | F80 S153 R185 R186 | F80-K155 HydrophobicContact CD2-CB 3.87Å; F80-K155 HydrophobicContact CD2-CG 3.73Å; F80-K155 HydrophobicContact CE2-CB 3.79Å; F80-K155 HydrophobicContact CE2-CG 3.7Å; F80-K155 HydrophobicContact CG-CB 4.48Å; F80-K155 HydrophobicContact CZ-CB 4.29Å; F80-K155 PolarHBondContact O-N 3.34Å; S153-K155 PolarHBondContact O-N 3.04Å; K155-R185 CarbonylContact O-C 3.49Å; K155-R185 WeakPolarHBondContact O-CA 3.32Å; K155-R185 WeakPolarHBondContact O-CB 3.43Å; K155-R186 PolarHBondContact O-N 3.04Å | ||
| 156 | F | 98.7 | Very high | 94 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 4% | 0.044 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132 | -178.4 | -69.9 | -96.5 | 0 | 0 | 0 | 112.1 | I68 A71 F80 A81 L82 L154 R186 Y188 | I68-F156 HydrophobicContact CD1-CB 4.2Å; I68-F156 HydrophobicContact CD1-CD1 4.33Å; I68-F156 HydrophobicContact CD1-CG 4.43Å; I68-F156 HydrophobicContact CG1-CB 4.15Å; I68-F156 HydrophobicContact CG1-CD1 3.61Å; I68-F156 HydrophobicContact CG1-CE1 4.14Å; I68-F156 HydrophobicContact CG1-CG 3.85Å; A71-F156 HydrophobicContact CB-CE2 3.87Å; A71-F156 HydrophobicContact CB-CZ 3.74Å; F80-F156 AromaticContact CD1-CD2 3.92Å; F80-F156 HydrophobicContact CD1-CD2 3.92Å; F80-F156 HydrophobicContact CD1-CE2 4.33Å; F80-F156 AromaticContact CE1-CD2 3.43Å; F80-F156 HydrophobicContact CE1-CD2 3.43Å; F80-F156 VanDerWaalsContact CE1-CD2 3.43Å; F80-F156 AromaticContact CE1-CE2 3.39Å; F80-F156 HydrophobicContact CE1-CE2 3.39Å; F80-F156 HydrophobicContact CE2-CE2 4.31Å; F80-F156 AromaticContact CZ-CD2 3.81Å; F80-F156 HydrophobicContact CZ-CD2 3.81Å; F80-F156 AromaticContact CZ-CE2 3.42Å; F80-F156 HydrophobicContact CZ-CE2 3.42Å; F80-F156 VanDerWaalsContact CZ-CE2 3.42Å; F80-F156 PolarHBondContact O-N 3.45Å; A81-F156 WeakPolarHBondContact CA-O 3.27Å; A81-F156 HydrophobicContact CB-CB 3.84Å; L82-F156 PolarHBondContact N-O 2.92Å; L154-F156 WeakPolarHBondContact CD1-O 3.44Å; L154-F156 WeakPolarHBondContact CG-O 3.37Å; F156-R186 CarbonylContact C-O 3.54Å; F156-R186 WeakPolarHBondContact CA-O 3.39Å; F156-R186 HydrophobicContact CD1-CB 3.61Å; F156-R186 HydrophobicContact CD1-CG 4.23Å; F156-R186 HydrophobicContact CE1-CB 3.59Å; F156-R186 HydrophobicContact CE1-CG 3.74Å; F156-R186 HydrophobicContact CG-CB 4.37Å; F156-R186 HydrophobicContact CZ-CB 4.32Å; F156-R186 HydrophobicContact CZ-CG 4.03Å; F156-Y188 AromaticContact CD1-CE2 3.98Å; F156-Y188 HydrophobicContact CD1-CE2 3.98Å; F156-Y188 HydrophobicContact CE1-CE2 4.2Å; F156-Y188 WeakPolarHBondContact CE1-OH 3.48Å |
| 157 | L | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.9 | 165.8 | 173.5 | 65.9 | 0 | 0 | 0 | 109 | L82 L84 M159 L178 I181 R186 T187 Y188 | L82-L157 HydrophobicContact CB-CD1 4.49Å; L82-L157 HydrophobicContact CD2-CD1 3.98Å; L82-L157 HydrophobicContact CG-CD1 4.2Å; L82-L157 CarbonylContact O-C 3.57Å; L82-L157 WeakPolarHBondContact O-CA 3.47Å; L84-L157 HydrophobicContact CD1-CD1 3.87Å; L84-L157 HydrophobicContact CG-CD1 4.22Å; L157-M159 HydrophobicContact CD1-CG 4.48Å; L157-M159 HydrophobicContact CD2-CE 4.1Å; L157-M159 HydrophobicContact CD2-SD 4.36Å; L157-M159 HydrophobicContact CG-CG 4.39Å; L157-L178 HydrophobicContact CD2-CD2 3.72Å; L157-I181 HydrophobicContact CD1-CD1 4.44Å; L157-I181 HydrophobicContact CD2-CD1 3.79Å; L157-I181 HydrophobicContact CG-CD1 4.48Å; L157-R186 PolarHBondContact N-O 3.47Å; L157-T187 HydrophobicContact CB-CG2 4.28Å; L157-T187 HydrophobicContact CD2-CG2 3.95Å; L157-T187 HydrophobicContact CG-CG2 4.19Å; L157-T187 CarbonylContact O-C 3.55Å; L157-T187 VanDerWaalsContact O-CA 3.27Å; L157-T187 WeakPolarHBondContact O-CA 3.41Å; L157-Y188 PolarHBondContact O-N 3.04Å |
| 158 | V | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137 | 169.2 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | F64 I68 L82 I83 L84 Y188 Y190 | F64-V158 HydrophobicContact CB-CG1 4.36Å; F64-V158 HydrophobicContact CB-CG2 4.29Å; F64-V158 HydrophobicContact CD1-CG1 3.9Å; F64-V158 HydrophobicContact CD2-CG1 4.16Å; F64-V158 HydrophobicContact CD2-CG2 4.3Å; F64-V158 HydrophobicContact CE1-CG1 4.13Å; F64-V158 HydrophobicContact CE2-CG1 4.42Å; F64-V158 HydrophobicContact CG-CG1 3.91Å; F64-V158 HydrophobicContact CG-CG2 4.38Å; F64-V158 HydrophobicContact CZ-CG1 4.38Å; I68-V158 HydrophobicContact CD1-CG2 3.57Å; L82-V158 PolarHBondContact O-N 3.01Å; I83-V158 WeakPolarHBondContact CA-O 3.45Å; I83-V158 HydrophobicContact CB-CB 4.24Å; I83-V158 HydrophobicContact CG1-CB 3.86Å; I83-V158 HydrophobicContact CG1-CG2 4.01Å; I83-V158 HydrophobicContact CG2-CB 4.06Å; I83-V158 HydrophobicContact CG2-CG1 4.17Å; L84-V158 PolarHBondContact N-O 3.3Å; V158-Y188 CarbonylContact C-O 3.54Å; V158-Y188 VanDerWaalsContact CA-O 3.27Å; V158-Y188 WeakPolarHBondContact CA-O 3.25Å; V158-Y188 HydrophobicContact CG2-CD2 4.03Å; V158-Y190 HydrophobicContact CG1-CD2 4.5Å |
| 159 | M | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 102.6 | 170.9 | -65.3 | 169 | -76.6 | 0 | 0 | 107.8 | L84 L157 A162 M174 T187 Y188 L189 Y190 L201 S205 L206 | L84-M159 HydrophobicContact CB-CG 4.4Å; L84-M159 HydrophobicContact CD1-CG 4.37Å; L157-M159 HydrophobicContact CD1-CG 4.48Å; L157-M159 HydrophobicContact CD2-CE 4.1Å; L157-M159 HydrophobicContact CD2-SD 4.36Å; L157-M159 HydrophobicContact CG-CG 4.39Å; M159-A162 HydrophobicContact CB-CB 4.48Å; M159-M174 HydrophobicContact CG-CE 3.85Å; M159-M174 HydrophobicContact SD-CE 3.33Å; M159-M174 WeakPolarHBondContact SD-CE 3.29Å; M159-T187 HydrophobicContact CE-CG2 3.52Å; M159-Y188 PolarHBondContact N-O 3.04Å; M159-L189 HydrophobicContact CB-CG 4.48Å; M159-L189 HydrophobicContact CE-CB 4.09Å; M159-L189 HydrophobicContact CE-CD1 3.99Å; M159-L189 HydrophobicContact CE-CG 4.21Å; M159-Y190 PolarHBondContact O-N 2.87Å; M159-L201 HydrophobicContact SD-CD1 4.06Å; M159-L201 HydrophobicContact SD-CD2 3.77Å; M159-L201 HydrophobicContact SD-CG 4.08Å; M159-S205 WeakPolarHBondContact CE-OG 3.29Å; M159-L206 HydrophobicContact CE-CD1 4.02Å |
| 160 | D | 94.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 141.7 | 178.9 | -168.6 | 24.2 | 0 | 0 | 0 | 111.3 | K60 F64 L84 P86 I94 A162 I165 | K60-D160 IonicContact NZ-OD1 3.4Å; K60-D160 PolarHBondContact NZ-OD1 3.11Å; F64-D160 HydrophobicContact CE1-CB 4.43Å; L84-D160 PolarHBondContact O-N 3.5Å; P86-D160 WeakPolarHBondContact CD-O 3.17Å; I94-D160 HydrophobicContact CD1-CB 4.48Å; D160-A162 VanDerWaalsContact C-N 3.32Å; D160-A162 PolarHBondContact O-N 3.32Å; D160-I165 WeakPolarHBondContact O-CD1 3.4Å |
| 161 | E | 89 | Confident | 91.3 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 2% | 0.023 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 52.5 | 48.3 | -170 | -56.1 | -166.9 | 155.2 | 0 | 0 | 112.1 | T56 P86 L90 D163 R164 I165 Y190 | T56-E161 PolarHBondContact OG1-OE1 3.39Å; P86-E161 HydrophobicContact CG-CB 3.87Å; P86-E161 WeakPolarHBondContact CG-OE2 3.41Å; L90-E161 HydrophobicContact CD2-CG 3.95Å; E161-D163 VanDerWaalsContact C-N 3.3Å; E161-D163 PolarHBondContact O-N 3.36Å; E161-R164 HydrophobicContact CB-CB 4.26Å; E161-R164 HydrophobicContact CB-CG 4.36Å; E161-R164 WeakPolarHBondContact O-CA 3.22Å; E161-R164 WeakPolarHBondContact O-CB 3.44Å; E161-R164 PolarHBondContact O-N 2.92Å; E161-R164 IonicContact OE1-CZ 3.2Å; E161-R164 IonicContact OE1-NH1 3.26Å; E161-R164 PolarHBondContact OE1-NH1 3.49Å; E161-R164 IonicContact OE1-NH2 2.77Å; E161-R164 VanDerWaalsContact OE2-CD 3.31Å; E161-R164 WeakPolarHBondContact OE2-CD 3.46Å; E161-R164 IonicContact OE2-CZ 3.08Å; E161-R164 IonicContact OE2-NE 2.69Å; E161-R164 IonicContact OE2-NH1 3.62Å; E161-R164 PolarHBondContact OE2-NH1 2.95Å; E161-I165 PolarHBondContact O-N 3.35Å; E161-Y190 PolarHBondContact N-O 3.45Å |
| 162 | A | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -34.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | M159 D160 R164 I165 L166 L189 Y190 L201 | M159-A162 HydrophobicContact CB-CB 4.48Å; D160-A162 VanDerWaalsContact C-N 3.32Å; D160-A162 PolarHBondContact O-N 3.32Å; A162-R164 VanDerWaalsContact C-N 3.3Å; A162-R164 PolarHBondContact O-N 3.25Å; A162-I165 PolarHBondContact O-N 2.96Å; A162-L166 VanDerWaalsContact O-CG 3.27Å; A162-L166 WeakPolarHBondContact O-CG 3.01Å; A162-L166 PolarHBondContact O-N 2.93Å; A162-L189 HydrophobicContact CB-CD1 4.46Å; A162-L189 HydrophobicContact CB-CD2 3.73Å; A162-L189 HydrophobicContact CB-CG 3.92Å; A162-Y190 PolarHBondContact N-O 2.81Å; A162-L201 HydrophobicContact CB-CD2 4.3Å |
| 163 | D | 85.6 | Confident | 91.1 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.6 | -43.1 | 171.5 | 50.6 | -1.2 | 0 | 0 | 0 | 111.8 | E161 L166 D167 S191 T193 T195 V198 | E161-D163 VanDerWaalsContact C-N 3.3Å; E161-D163 PolarHBondContact O-N 3.36Å; D163-L166 PolarHBondContact O-N 3.08Å; D163-D167 WeakPolarHBondContact O-CB 3.27Å; D163-D167 VanDerWaalsContact O-CG 3.22Å; D163-D167 PolarHBondContact O-N 3.12Å; D163-S191 WeakPolarHBondContact CB-OG 3.44Å; D163-S191 PolarHBondContact N-OG 3.11Å; D163-S191 PolarHBondContact OD1-OG 2.94Å; D163-S191 PolarHBondContact OD2-OG 3.46Å; D163-T193 WeakPolarHBondContact OD2-CB 3.45Å; D163-T193 WeakPolarHBondContact OD2-CG2 3.43Å; D163-T193 PolarHBondContact OD2-N 3.43Å; D163-T193 VanDerWaalsContact OD2-N 3.12Å; D163-T193 PolarHBondContact OD2-OG1 2.96Å; D163-T195 HydrophobicContact CB-CG2 4.39Å; D163-V198 HydrophobicContact CB-CG2 3.79Å |
| 164 | R | 83 | Confident | 91.1 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 7% | 0.072 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.5 | -38.3 | 177.5 | -62.6 | -169 | -174.6 | 161.4 | 4.4 | 113.5 | P86 E161 A162 L166 D167 M168 H335 | P86-R164 HydrophobicContact CB-CB 4.1Å; P86-R164 HydrophobicContact CG-CB 4.03Å; E161-R164 HydrophobicContact CB-CB 4.26Å; E161-R164 HydrophobicContact CB-CG 4.36Å; E161-R164 WeakPolarHBondContact O-CA 3.22Å; E161-R164 WeakPolarHBondContact O-CB 3.44Å; E161-R164 PolarHBondContact O-N 2.92Å; E161-R164 IonicContact OE1-CZ 3.2Å; E161-R164 IonicContact OE1-NH1 3.26Å; E161-R164 PolarHBondContact OE1-NH1 3.49Å; E161-R164 IonicContact OE1-NH2 2.77Å; E161-R164 VanDerWaalsContact OE2-CD 3.31Å; E161-R164 WeakPolarHBondContact OE2-CD 3.46Å; E161-R164 IonicContact OE2-CZ 3.08Å; E161-R164 IonicContact OE2-NE 2.69Å; E161-R164 IonicContact OE2-NH1 3.62Å; E161-R164 PolarHBondContact OE2-NH1 2.95Å; A162-R164 VanDerWaalsContact C-N 3.3Å; A162-R164 PolarHBondContact O-N 3.25Å; R164-L166 PolarHBondContact O-N 3.2Å; R164-D167 PolarHBondContact O-N 3.1Å; R164-M168 WeakPolarHBondContact O-CB 3.04Å; R164-M168 WeakPolarHBondContact O-CG 3.33Å; R164-M168 PolarHBondContact O-N 3.14Å; R164-H335 PolarHBondContact NH2-CD2 3.21Å; R164-H335 PolarHBondContact NH2-CE1 2.81Å; R164-H335 PolarHBondContact NH2-ND1 2.91Å; R164-H335 PolarHBondContact NH2-NE2 3.14Å |
| 165 | I | 88.9 | Confident | 91 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.7 | -44.5 | 174 | -65.7 | 176.9 | 0 | 0 | 0 | 109.6 | L84 P86 P136 D160 E161 A162 F170 M174 | L84-I165 HydrophobicContact CB-CD1 4.35Å; P86-I165 HydrophobicContact CB-CG1 3.99Å; P86-I165 HydrophobicContact CG-CG1 4.36Å; P136-I165 HydrophobicContact CG-CG2 3.91Å; D160-I165 WeakPolarHBondContact O-CD1 3.4Å; E161-I165 PolarHBondContact O-N 3.35Å; A162-I165 PolarHBondContact O-N 2.96Å; I165-F170 HydrophobicContact CG2-CB 3.85Å; I165-F170 HydrophobicContact CG2-CD2 4.35Å; I165-F170 WeakPolarHBondContact O-CB 3.26Å; I165-F170 PolarHBondContact O-N 3.39Å; I165-M174 HydrophobicContact CG2-CG 3.8Å; I165-M174 HydrophobicContact CG2-SD 3.98Å |
| 166 | L | 88.1 | Confident | 90.9 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -78.2 | -27.3 | -177.6 | -62.9 | 171.2 | 0 | 0 | 0 | 113.7 | A162 D163 R164 D169 E171 K197 V198 L201 | A162-L166 VanDerWaalsContact O-CG 3.27Å; A162-L166 WeakPolarHBondContact O-CG 3.01Å; A162-L166 PolarHBondContact O-N 2.93Å; D163-L166 PolarHBondContact O-N 3.08Å; R164-L166 PolarHBondContact O-N 3.2Å; L166-D169 PolarHBondContact O-N 2.92Å; L166-E171 HydrophobicContact CD2-CB 4.19Å; L166-E171 HydrophobicContact CD2-CG 4.33Å; L166-K197 HydrophobicContact CB-CB 4.1Å; L166-K197 HydrophobicContact CB-CD 4.02Å; L166-K197 VanDerWaalsContact CD1-C 3.49Å; L166-K197 HydrophobicContact CD1-CB 3.78Å; L166-K197 HydrophobicContact CG-CB 4.47Å; L166-K197 PolarHBondContact O-NZ 3.33Å; L166-V198 HydrophobicContact CD1-CB 4.49Å; L166-V198 HydrophobicContact CD1-CG2 3.9Å; L166-L201 HydrophobicContact CD1-CB 4.09Å; L166-L201 HydrophobicContact CD1-CD2 3.91Å; L166-L201 HydrophobicContact CD2-CD2 4.39Å; L166-L201 HydrophobicContact CG-CD2 4.36Å |
| 167 | D | 79.8 | Confident | 90.8 | Very high | 94 Ų | 94 | 32.6 Ų | 32.6 | 50% | 0.503 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -76.2 | -25.4 | 173.9 | -73.3 | -14.9 | 0 | 0 | 0 | 112.2 | D163 R164 D169 | D163-D167 WeakPolarHBondContact O-CB 3.27Å; D163-D167 VanDerWaalsContact O-CG 3.22Å; D163-D167 PolarHBondContact O-N 3.12Å; R164-D167 PolarHBondContact O-N 3.1Å; D167-D169 PolarHBondContact O-N 3.09Å |
| 168 | M | 77.3 | Confident | 90.7 | Very high | 79 Ų | 79 | 33.9 Ų | 33.9 | 39% | 0.389 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 14 | 170.8 | -67.4 | -179.6 | 67.6 | 0 | 0 | 113 | P86 R164 F170 | P86-M168 HydrophobicContact CB-SD 3.81Å; R164-M168 WeakPolarHBondContact O-CB 3.04Å; R164-M168 WeakPolarHBondContact O-CG 3.33Å; R164-M168 PolarHBondContact O-N 3.14Å; M168-F170 HydrophobicContact CB-CD2 3.78Å; M168-F170 HydrophobicContact CB-CE2 3.76Å; M168-F170 HydrophobicContact CE-CE2 3.89Å; M168-F170 HydrophobicContact CE-CZ 4.36Å; M168-F170 PolarHBondContact O-N 3.17Å; M168-F170 HydrophobicContact SD-CE2 4.27Å |
| 169 | D | 82.6 | Confident | 90.6 | Very high | 119 Ų | 119 | 41.4 Ų | 41.4 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 23.5 | 178.8 | -65.4 | -37.7 | 0 | 0 | 0 | 115.7 | L166 D167 E171 K197 | L166-D169 PolarHBondContact O-N 2.92Å; D167-D169 PolarHBondContact O-N 3.09Å; D169-E171 PolarHBondContact O-N 3.43Å; D169-K197 IonicContact OD1-NZ 2.77Å |
| 170 | F | 88.3 | Confident | 90.5 | Very high | 41 Ų | 41 | 45 Ų | 45 | 18% | 0.18 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 16.4 | 173.1 | -65.4 | -57.2 | 0 | 0 | 0 | 114.2 | P136 I165 M168 A172 E173 M174 | P136-F170 HydrophobicContact CB-CB 4.03Å; P136-F170 HydrophobicContact CB-CD1 4.33Å; P136-F170 HydrophobicContact CB-CG 4.16Å; P136-F170 HydrophobicContact CG-CB 4.08Å; P136-F170 HydrophobicContact CG-CD2 4.36Å; P136-F170 HydrophobicContact CG-CG 4.18Å; I165-F170 HydrophobicContact CG2-CB 3.85Å; I165-F170 HydrophobicContact CG2-CD2 4.35Å; I165-F170 WeakPolarHBondContact O-CB 3.26Å; I165-F170 PolarHBondContact O-N 3.39Å; M168-F170 HydrophobicContact CB-CD2 3.78Å; M168-F170 HydrophobicContact CB-CE2 3.76Å; M168-F170 HydrophobicContact CE-CE2 3.89Å; M168-F170 HydrophobicContact CE-CZ 4.36Å; M168-F170 PolarHBondContact O-N 3.17Å; M168-F170 HydrophobicContact SD-CE2 4.27Å; F170-A172 VanDerWaalsContact C-N 3.29Å; F170-A172 PolarHBondContact O-N 2.95Å; F170-E173 VanDerWaalsContact CA-OE2 3.25Å; F170-E173 WeakPolarHBondContact CA-OE2 3.31Å; F170-E173 HydrophobicContact CD1-CG 4.35Å; F170-E173 PolarHBondContact O-N 3.3Å; F170-M174 WeakPolarHBondContact O-CB 3.28Å; F170-M174 VanDerWaalsContact O-CG 3.23Å; F170-M174 WeakPolarHBondContact O-CG 3.45Å; F170-M174 PolarHBondContact O-N 3.28Å |
| 171 | E | 89.8 | Confident | 90.7 | Very high | 51 Ų | 51 | 45.3 Ų | 45.3 | 24% | 0.238 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -38 | -176.5 | -173.7 | 174.6 | 175.3 | 0 | 0 | 111.6 | L166 D169 N175 K200 | L166-E171 HydrophobicContact CD2-CB 4.19Å; L166-E171 HydrophobicContact CD2-CG 4.33Å; D169-E171 PolarHBondContact O-N 3.43Å; E171-N175 VanDerWaalsContact O-CG 3.29Å; E171-N175 PolarHBondContact O-N 3.34Å; E171-N175 VanDerWaalsContact O-N 3.11Å; E171-N175 PolarHBondContact O-ND2 3.15Å; E171-N175 VanDerWaalsContact O-ND2 3.11Å; E171-K200 IonicContact OE1-NZ 3.52Å; E171-K200 PolarHBondContact OE1-NZ 2.84Å |
| 172 | A | 93.6 | Very high | 91.1 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F170 M174 N175 K176 | F170-A172 VanDerWaalsContact C-N 3.29Å; F170-A172 PolarHBondContact O-N 2.95Å; A172-M174 VanDerWaalsContact C-N 3.34Å; A172-N175 PolarHBondContact O-N 2.96Å; A172-K176 WeakPolarHBondContact O-CG 3.47Å; A172-K176 PolarHBondContact O-N 3.17Å; A172-K176 VanDerWaalsContact O-N 3.08Å |
| 173 | E | 96.6 | Very high | 91.2 | Very high | 57 Ų | 57 | 51.7 Ų | 51.7 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 177.4 | -67.8 | 71 | -164.6 | 0 | 0 | 110.9 | P136 V140 F170 N175 K176 I177 | P136-E173 HydrophobicContact CB-CB 3.78Å; V140-E173 HydrophobicContact CG2-CB 3.84Å; V140-E173 HydrophobicContact CG2-CG 4.17Å; F170-E173 VanDerWaalsContact CA-OE2 3.25Å; F170-E173 WeakPolarHBondContact CA-OE2 3.31Å; F170-E173 HydrophobicContact CD1-CG 4.35Å; F170-E173 PolarHBondContact O-N 3.3Å; E173-N175 PolarHBondContact O-N 2.88Å; E173-K176 PolarHBondContact O-N 3.08Å; E173-I177 WeakPolarHBondContact O-CD1 3.25Å; E173-I177 VanDerWaalsContact O-CG1 3.26Å; E173-I177 WeakPolarHBondContact O-CG1 3.4Å; E173-I177 PolarHBondContact O-N 3.27Å |
| 174 | M | 95.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 175 | -77.4 | -58.1 | -54.8 | 0 | 0 | 111.8 | L84 P136 M159 I165 F170 A172 K176 I177 L178 L201 | L84-M174 HydrophobicContact CD1-CE 3.69Å; L84-M174 HydrophobicContact CD1-SD 3.55Å; L84-M174 VanDerWaalsContact CD1-SD 3.55Å; P136-M174 HydrophobicContact CB-SD 4.36Å; P136-M174 HydrophobicContact CG-SD 3.96Å; M159-M174 HydrophobicContact CG-CE 3.85Å; M159-M174 HydrophobicContact SD-CE 3.33Å; M159-M174 WeakPolarHBondContact SD-CE 3.29Å; I165-M174 HydrophobicContact CG2-CG 3.8Å; I165-M174 HydrophobicContact CG2-SD 3.98Å; F170-M174 WeakPolarHBondContact O-CB 3.28Å; F170-M174 VanDerWaalsContact O-CG 3.23Å; F170-M174 WeakPolarHBondContact O-CG 3.45Å; F170-M174 PolarHBondContact O-N 3.28Å; A172-M174 VanDerWaalsContact C-N 3.34Å; M174-K176 PolarHBondContact O-N 3.13Å; M174-I177 PolarHBondContact O-N 2.68Å; M174-L178 VanDerWaalsContact O-CG 3.31Å; M174-L178 WeakPolarHBondContact O-CG 3.32Å; M174-L178 PolarHBondContact O-N 2.93Å; M174-L201 HydrophobicContact CE-CD1 4.17Å |
| 175 | N | 94.8 | Very high | 92.3 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 35% | 0.348 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -45 | 178.2 | -68.2 | -31.9 | 0 | 0 | 0 | 111.7 | E171 A172 E173 I177 L178 E179 | E171-N175 VanDerWaalsContact O-CG 3.29Å; E171-N175 PolarHBondContact O-N 3.34Å; E171-N175 VanDerWaalsContact O-N 3.11Å; E171-N175 PolarHBondContact O-ND2 3.15Å; E171-N175 VanDerWaalsContact O-ND2 3.11Å; A172-N175 PolarHBondContact O-N 2.96Å; E173-N175 PolarHBondContact O-N 2.88Å; N175-I177 VanDerWaalsContact C-N 3.31Å; N175-I177 PolarHBondContact O-N 3.16Å; N175-L178 PolarHBondContact O-N 3.17Å; N175-L178 VanDerWaalsContact O-N 3.16Å; N175-E179 WeakPolarHBondContact O-CG 3.43Å; N175-E179 PolarHBondContact O-N 3.41Å |
| 176 | K | 96.6 | Very high | 92.7 | Very high | 80 Ų | 80 | 63.7 Ų | 63.7 | 35% | 0.348 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.8 | -42 | 175.3 | -72.9 | -179.2 | 172.3 | -165.8 | 0 | 112.6 | V140 E144 A172 E173 M174 E179 V180 | V140-K176 HydrophobicContact CG1-CD 3.8Å; V140-K176 HydrophobicContact CG2-CB 4.31Å; E144-K176 IonicContact OE1-NZ 2.67Å; E144-K176 PolarHBondContact OE1-NZ 3.14Å; E144-K176 IonicContact OE2-NZ 3.47Å; A172-K176 WeakPolarHBondContact O-CG 3.47Å; A172-K176 PolarHBondContact O-N 3.17Å; A172-K176 VanDerWaalsContact O-N 3.08Å; E173-K176 PolarHBondContact O-N 3.08Å; M174-K176 PolarHBondContact O-N 3.13Å; K176-E179 PolarHBondContact O-N 3.29Å; K176-V180 PolarHBondContact O-N 3.15Å |
| 177 | I | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.4 | -47 | 177 | -67 | 159.2 | 0 | 0 | 0 | 110 | L82 L84 P136 L139 V140 L143 E173 M174 N175 E179 V180 I181 | L82-I177 HydrophobicContact CD2-CG2 4.02Å; L84-I177 HydrophobicContact CD1-CD1 4.08Å; L84-I177 HydrophobicContact CD1-CG2 4.24Å; L84-I177 HydrophobicContact CD2-CD1 4.12Å; P136-I177 HydrophobicContact CB-CD1 4.04Å; L139-I177 HydrophobicContact CB-CD1 4.49Å; L139-I177 HydrophobicContact CD2-CD1 3.88Å; L139-I177 HydrophobicContact CD2-CG1 4.1Å; L139-I177 HydrophobicContact CD2-CG2 4.35Å; V140-I177 HydrophobicContact CG2-CD1 4.09Å; V140-I177 HydrophobicContact CG2-CG1 3.81Å; L143-I177 HydrophobicContact CD1-CG1 4.13Å; E173-I177 WeakPolarHBondContact O-CD1 3.25Å; E173-I177 VanDerWaalsContact O-CG1 3.26Å; E173-I177 WeakPolarHBondContact O-CG1 3.4Å; E173-I177 PolarHBondContact O-N 3.27Å; M174-I177 PolarHBondContact O-N 2.68Å; N175-I177 VanDerWaalsContact C-N 3.31Å; N175-I177 PolarHBondContact O-N 3.16Å; I177-E179 PolarHBondContact O-N 3.2Å; I177-V180 WeakPolarHBondContact O-CG2 3.27Å; I177-V180 PolarHBondContact O-N 3.22Å; I177-I181 HydrophobicContact CG2-CG2 4.15Å; I177-I181 WeakPolarHBondContact O-CG1 3.06Å; I177-I181 WeakPolarHBondContact O-CG2 3.47Å; I177-I181 PolarHBondContact O-N 3.45Å |
| 178 | L | 96.5 | Very high | 94.1 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -30.7 | -179.9 | -68.5 | 174.6 | 0 | 0 | 0 | 113 | L157 M174 N175 I181 L201 | L157-L178 HydrophobicContact CD2-CD2 3.72Å; M174-L178 VanDerWaalsContact O-CG 3.31Å; M174-L178 WeakPolarHBondContact O-CG 3.32Å; M174-L178 PolarHBondContact O-N 2.93Å; N175-L178 PolarHBondContact O-N 3.17Å; N175-L178 VanDerWaalsContact O-N 3.16Å; L178-I181 HydrophobicContact CD2-CD1 4.08Å; L178-L201 HydrophobicContact CD1-CD1 4.05Å |
| 179 | E | 95.8 | Very high | 95.1 | Very high | 158 Ų | 158 | 55.4 Ų | 55.4 | 74% | 0.738 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -70 | -29.8 | 177.2 | -75.1 | 171.8 | -172.2 | 0 | 0 | 113.6 | N175 K176 I177 | N175-E179 WeakPolarHBondContact O-CG 3.43Å; N175-E179 PolarHBondContact O-N 3.41Å; K176-E179 PolarHBondContact O-N 3.29Å; I177-E179 PolarHBondContact O-N 3.2Å |
| 180 | V | 96 | Very high | 95.7 | Very high | 76 Ų | 76 | 49.7 Ų | 49.7 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -103.4 | -12.4 | -172.9 | -57 | 0 | 0 | 0 | 0 | 114.4 | L143 K176 I177 | L143-V180 HydrophobicContact CD1-CG2 3.9Å; L143-V180 HydrophobicContact CD2-CG2 4.2Å; K176-V180 PolarHBondContact O-N 3.15Å; I177-V180 WeakPolarHBondContact O-CG2 3.27Å; I177-V180 PolarHBondContact O-N 3.22Å |
| 181 | I | 97 | Very high | 95.7 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -90.1 | 155.3 | 175.4 | 66.4 | 175.9 | 0 | 0 | 0 | 111.3 | L151 L154 L157 I177 L178 | L151-I181 HydrophobicContact CB-CG2 3.89Å; L151-I181 HydrophobicContact CD1-CG2 3.91Å; L154-I181 HydrophobicContact CD2-CB 4.12Å; L154-I181 HydrophobicContact CD2-CD1 4.3Å; L154-I181 HydrophobicContact CD2-CG2 3.98Å; L157-I181 HydrophobicContact CD1-CD1 4.44Å; L157-I181 HydrophobicContact CD2-CD1 3.79Å; L157-I181 HydrophobicContact CG-CD1 4.48Å; I177-I181 HydrophobicContact CG2-CG2 4.15Å; I177-I181 WeakPolarHBondContact O-CG1 3.06Å; I177-I181 WeakPolarHBondContact O-CG2 3.47Å; I177-I181 PolarHBondContact O-N 3.45Å; L178-I181 HydrophobicContact CD2-CD1 4.08Å |
| 182 | P | 97.1 | Very high | 95.3 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 20% | 0.201 | 25% | 0.249 | C | C | . | . | trans | -59.9 | 137.9 | 179.5 | -25 | 36.2 | 0 | 0 | 0 | 112.7 | L151 R152 L154 R185 | L151-P182 VanDerWaalsContact O-CD 3.24Å; L151-P182 WeakPolarHBondContact O-CD 3.38Å; R152-P182 WeakPolarHBondContact O-CG 3.25Å; L154-P182 HydrophobicContact CB-CG 4.45Å; P182-R185 VanDerWaalsContact O-CD 3.28Å; P182-R185 WeakPolarHBondContact O-CD 3.36Å; P182-R185 WeakPolarHBondContact O-CG 3.35Å; P182-R185 PolarHBondContact O-NH1 2.89Å | ||
| 183 | S | 93.9 | Very high | 94.6 | Very high | 107 Ų | 107 | 44.3 Ų | 44.3 | 75% | 0.748 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -66.5 | -39.5 | 173 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | R185 | S183-R185 PolarHBondContact O-N 2.99Å; S183-R185 VanDerWaalsContact O-N 3.16Å |
| 184 | Q | 95.3 | Very high | 94.1 | Very high | 168 Ų | 168 | 45 Ų | 45 | 79% | 0.785 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -80.3 | 94.1 | 174.7 | -171.4 | 180 | 6.4 | 0 | 0 | 110.3 | ||
| 185 | R | 97.2 | Very high | 93.6 | Very high | 29 Ų | 29 | 46.5 Ų | 46.5 | 11% | 0.109 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -153.6 | 169.2 | 179.9 | 62.1 | 178.3 | -174.7 | -92.7 | -6.5 | 109.4 | K155 P182 S183 T187 S205 | K155-R185 CarbonylContact O-C 3.49Å; K155-R185 WeakPolarHBondContact O-CA 3.32Å; K155-R185 WeakPolarHBondContact O-CB 3.43Å; P182-R185 VanDerWaalsContact O-CD 3.28Å; P182-R185 WeakPolarHBondContact O-CD 3.36Å; P182-R185 WeakPolarHBondContact O-CG 3.35Å; P182-R185 PolarHBondContact O-NH1 2.89Å; S183-R185 PolarHBondContact O-N 2.99Å; S183-R185 VanDerWaalsContact O-N 3.16Å; R185-T187 PolarHBondContact NE-OG1 3.43Å; R185-S205 PolarHBondContact NH2-O 2.85Å; R185-S205 VanDerWaalsContact NH2-O 3.16Å |
| 186 | R | 98.2 | Very high | 93.4 | Very high | 83 Ų | 83 | 52.6 Ų | 52.6 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.5 | 164.7 | -54.3 | -54.8 | 177.2 | -153.8 | -0.6 | 109.5 | D47 D49 K155 F156 L157 Y188 | D47-R186 VanDerWaalsContact CB-NH2 3.32Å; D47-R186 VanDerWaalsContact O-CD 3.31Å; D47-R186 WeakPolarHBondContact O-CD 2.96Å; D47-R186 PolarHBondContact O-NE 3.29Å; D47-R186 PolarHBondContact O-NH1 2.91Å; D47-R186 IonicContact OD1-CZ 2.91Å; D47-R186 IonicContact OD1-NE 3.58Å; D47-R186 PolarHBondContact OD1-NE 2.98Å; D47-R186 IonicContact OD1-NH2 3.91Å; D47-R186 PolarHBondContact OD1-NH2 2.91Å; D47-R186 IonicContact OD2-NH2 3.51Å; D47-R186 PolarHBondContact OD2-NH2 3.42Å; D49-R186 WeakPolarHBondContact OD1-CA 3.49Å; K155-R186 PolarHBondContact O-N 3.04Å; F156-R186 CarbonylContact C-O 3.54Å; F156-R186 WeakPolarHBondContact CA-O 3.39Å; F156-R186 HydrophobicContact CD1-CB 3.61Å; F156-R186 HydrophobicContact CD1-CG 4.23Å; F156-R186 HydrophobicContact CE1-CB 3.59Å; F156-R186 HydrophobicContact CE1-CG 3.74Å; F156-R186 HydrophobicContact CG-CB 4.37Å; F156-R186 HydrophobicContact CZ-CB 4.32Å; F156-R186 HydrophobicContact CZ-CG 4.03Å; L157-R186 PolarHBondContact N-O 3.47Å; R186-Y188 HydrophobicContact CB-CE1 4.49Å |
| 187 | T | 98.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125 | -179.2 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | D49 I50 L157 M159 R185 S205 L206 | D49-T187 VanDerWaalsContact CA-O 3.31Å; D49-T187 WeakPolarHBondContact CA-O 3.24Å; D49-T187 WeakPolarHBondContact CB-O 3.43Å; D49-T187 PolarHBondContact OD1-N 3.41Å; I50-T187 PolarHBondContact N-O 3.32Å; L157-T187 HydrophobicContact CB-CG2 4.28Å; L157-T187 HydrophobicContact CD2-CG2 3.95Å; L157-T187 HydrophobicContact CG-CG2 4.19Å; L157-T187 CarbonylContact O-C 3.55Å; L157-T187 VanDerWaalsContact O-CA 3.27Å; L157-T187 WeakPolarHBondContact O-CA 3.41Å; M159-T187 HydrophobicContact CE-CG2 3.52Å; R185-T187 PolarHBondContact NE-OG1 3.43Å; T187-S205 PolarHBondContact OG1-O 2.94Å; T187-L206 HydrophobicContact CG2-CD1 3.68Å; T187-L206 HydrophobicContact CG2-CG 3.88Å |
| 188 | Y | 98.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.8 | 174.4 | -52.4 | -33.3 | 0 | 0 | 0 | 110.3 | A44 R48 I50 F64 P67 I68 F156 L157 V158 M159 R186 | A44-Y188 HydrophobicContact CB-CE1 4.27Å; A44-Y188 HydrophobicContact CB-CE2 4.43Å; A44-Y188 WeakPolarHBondContact CB-OH 3.43Å; A44-Y188 PolarHBondContact O-OH 3.06Å; R48-Y188 WeakPolarHBondContact O-CE1 3.05Å; I50-Y188 HydrophobicContact CB-CD1 3.81Å; I50-Y188 HydrophobicContact CB-CE1 4.46Å; I50-Y188 HydrophobicContact CD1-CD1 4.1Å; I50-Y188 HydrophobicContact CD1-CE1 4.04Å; I50-Y188 HydrophobicContact CG1-CD1 3.98Å; I50-Y188 HydrophobicContact CG1-CE1 4.13Å; I50-Y188 WeakPolarHBondContact O-CA 3.33Å; F64-Y188 HydrophobicContact CB-CD2 3.8Å; F64-Y188 HydrophobicContact CB-CE2 4.47Å; P67-Y188 HydrophobicContact CG-CE2 4.37Å; I68-Y188 HydrophobicContact CD1-CD2 4.43Å; I68-Y188 HydrophobicContact CD1-CE2 4.37Å; I68-Y188 HydrophobicContact CG1-CE2 4.13Å; F156-Y188 AromaticContact CD1-CE2 3.98Å; F156-Y188 HydrophobicContact CD1-CE2 3.98Å; F156-Y188 HydrophobicContact CE1-CE2 4.2Å; F156-Y188 WeakPolarHBondContact CE1-OH 3.48Å; L157-Y188 PolarHBondContact O-N 3.04Å; V158-Y188 CarbonylContact C-O 3.54Å; V158-Y188 VanDerWaalsContact CA-O 3.27Å; V158-Y188 WeakPolarHBondContact CA-O 3.25Å; V158-Y188 HydrophobicContact CG2-CD2 4.03Å; M159-Y188 PolarHBondContact N-O 3.04Å; R186-Y188 HydrophobicContact CB-CE1 4.49Å |
| 189 | L | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.7 | 176.4 | -170.5 | 161.9 | 0 | 0 | 0 | 109.1 | I50 I51 G52 M159 A162 V198 L201 L206 | I50-L189 PolarHBondContact O-N 3.11Å; I51-L189 CarbonylContact C-O 3.55Å; I51-L189 WeakPolarHBondContact CA-O 3.34Å; I51-L189 HydrophobicContact CD1-CD2 4.21Å; I51-L189 HydrophobicContact CG1-CD2 4.13Å; G52-L189 PolarHBondContact N-O 3.04Å; M159-L189 HydrophobicContact CB-CG 4.48Å; M159-L189 HydrophobicContact CE-CB 4.09Å; M159-L189 HydrophobicContact CE-CD1 3.99Å; M159-L189 HydrophobicContact CE-CG 4.21Å; A162-L189 HydrophobicContact CB-CD1 4.46Å; A162-L189 HydrophobicContact CB-CD2 3.73Å; A162-L189 HydrophobicContact CB-CG 3.92Å; L189-V198 HydrophobicContact CD2-CG1 3.93Å; L189-L201 HydrophobicContact CD1-CD2 4.04Å; L189-L201 HydrophobicContact CD1-CG 4.05Å; L189-L206 HydrophobicContact CB-CD1 4.04Å; L189-L206 HydrophobicContact CB-CD2 4.06Å; L189-L206 HydrophobicContact CD1-CD1 4.02Å |
| 190 | Y | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.1 | 174.3 | -72.3 | -87.4 | 0 | 0 | 0 | 110.9 | V36 G52 K60 F64 V158 M159 E161 A162 | V36-Y190 HydrophobicContact CG2-CE1 4.12Å; G52-Y190 WeakPolarHBondContact O-CA 3.48Å; K60-Y190 HydrophobicContact CB-CD1 4.32Å; K60-Y190 HydrophobicContact CD-CD1 3.79Å; K60-Y190 HydrophobicContact CD-CG 4.15Å; K60-Y190 HydrophobicContact CG-CD1 4.04Å; K60-Y190 HydrophobicContact CG-CE1 4.49Å; F64-Y190 HydrophobicContact CB-CE2 3.95Å; F64-Y190 AromaticContact CD1-CD2 3.87Å; F64-Y190 HydrophobicContact CD1-CD2 3.87Å; F64-Y190 AromaticContact CD1-CE2 3.72Å; F64-Y190 HydrophobicContact CD1-CE2 3.72Å; F64-Y190 HydrophobicContact CG-CE2 4.32Å; V158-Y190 HydrophobicContact CG1-CD2 4.5Å; M159-Y190 PolarHBondContact O-N 2.87Å; E161-Y190 PolarHBondContact N-O 3.45Å; A162-Y190 PolarHBondContact N-O 2.81Å |
| 191 | S | 90.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 150.8 | -179.9 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | G52 L53 A54 D163 T193 | G52-S191 PolarHBondContact O-N 2.69Å; L53-S191 VanDerWaalsContact CA-O 3.32Å; L53-S191 WeakPolarHBondContact CA-O 3.48Å; A54-S191 PolarHBondContact N-O 3.37Å; A54-S191 VanDerWaalsContact N-O 3.11Å; D163-S191 WeakPolarHBondContact CB-OG 3.44Å; D163-S191 PolarHBondContact N-OG 3.11Å; D163-S191 PolarHBondContact OD1-OG 2.94Å; D163-S191 PolarHBondContact OD2-OG 3.46Å; S191-T193 VanDerWaalsContact C-N 3.31Å; S191-T193 PolarHBondContact OG-N 3.16Å; S191-T193 PolarHBondContact OG-O 3.43Å |
| 192 | A | 81.2 | Confident | 92.3 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -73.7 | -32.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 193 | T | 77.8 | Confident | 92.2 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -136.2 | 147 | -169.8 | 73.2 | 0 | 0 | 0 | 0 | 113.1 | D163 S191 T195 Y218 K331 | D163-T193 WeakPolarHBondContact OD2-CB 3.45Å; D163-T193 WeakPolarHBondContact OD2-CG2 3.43Å; D163-T193 PolarHBondContact OD2-N 3.43Å; D163-T193 VanDerWaalsContact OD2-N 3.12Å; D163-T193 PolarHBondContact OD2-OG1 2.96Å; S191-T193 VanDerWaalsContact C-N 3.31Å; S191-T193 PolarHBondContact OG-N 3.16Å; S191-T193 PolarHBondContact OG-O 3.43Å; T193-T195 PolarHBondContact O-N 2.86Å; T193-T195 WeakPolarHBondContact OG1-CG2 3.27Å; T193-Y218 HydrophobicContact CG2-CE1 4.5Å; T193-Y218 WeakPolarHBondContact CG2-OH 3.41Å; T193-K331 HydrophobicContact CG2-CD 4.02Å; T193-K331 VanDerWaalsContact CG2-NZ 3.32Å; T193-K331 PolarHBondContact OG1-NZ 3.15Å |
| 194 | M | 86.2 | Confident | 92.1 | Very high | 71 Ų | 71 | 55 Ų | 55 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | trans | -92 | 79.6 | 170.4 | -75.4 | -57.9 | -72.8 | 0 | 0 | 110.9 | I51 L53 V198 Q202 | I51-M194 HydrophobicContact CD1-CE 3.77Å; I51-M194 HydrophobicContact CD1-SD 3.58Å; I51-M194 VanDerWaalsContact CD1-SD 3.58Å; I51-M194 HydrophobicContact CG1-SD 4.45Å; L53-M194 HydrophobicContact CD1-CG 3.55Å; L53-M194 HydrophobicContact CD1-SD 4.47Å; L53-M194 HydrophobicContact CD2-CG 3.58Å; L53-M194 HydrophobicContact CD2-SD 3.74Å; L53-M194 HydrophobicContact CG-CG 4.14Å; M194-V198 HydrophobicContact CE-CG1 4.45Å; M194-V198 HydrophobicContact SD-CG1 3.82Å; M194-Q202 VanDerWaalsContact CE-OE1 3.23Å | ||
| 195 | T | 84.9 | Confident | 92.1 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | trans | -78.1 | 162.1 | 171.2 | 72.6 | 0 | 0 | 0 | 0 | 111 | D163 T193 K197 V198 S199 | D163-T195 HydrophobicContact CB-CG2 4.39Å; T193-T195 PolarHBondContact O-N 2.86Å; T193-T195 WeakPolarHBondContact OG1-CG2 3.27Å; T195-K197 PolarHBondContact O-N 3.25Å; T195-V198 PolarHBondContact O-N 3.05Å; T195-V198 WeakPolarHBondContact OG1-CG2 3.31Å; T195-V198 PolarHBondContact OG1-N 3.39Å; T195-S199 PolarHBondContact O-N 2.75Å; T195-S199 PolarHBondContact O-OG 3.07Å | ||
| 196 | K | 89.7 | Confident | 92.1 | Very high | 194 Ų | 194 | 46.9 Ų | 46.9 | 84% | 0.843 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -55.1 | -37.5 | 173.7 | -68.8 | -176.4 | -179.6 | 179.4 | 0 | 112.2 | K200 | K196-K200 PolarHBondContact O-N 2.77Å |
| 197 | K | 90.3 | Very high | 92 | Very high | 72 Ų | 72 | 49.9 Ų | 49.9 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 175.4 | -69.6 | -171.3 | 173.2 | -179 | 0 | 110.7 | L166 D169 T195 K200 L201 | L166-K197 HydrophobicContact CB-CB 4.1Å; L166-K197 HydrophobicContact CB-CD 4.02Å; L166-K197 VanDerWaalsContact CD1-C 3.49Å; L166-K197 HydrophobicContact CD1-CB 3.78Å; L166-K197 HydrophobicContact CG-CB 4.47Å; L166-K197 PolarHBondContact O-NZ 3.33Å; D169-K197 IonicContact OD1-NZ 2.77Å; T195-K197 PolarHBondContact O-N 3.25Å; K197-K200 WeakPolarHBondContact O-CB 3.44Å; K197-K200 PolarHBondContact O-N 2.92Å; K197-L201 PolarHBondContact O-N 2.9Å |
| 198 | V | 91.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | D163 L166 L189 M194 T195 K200 L201 Q202 | D163-V198 HydrophobicContact CB-CG2 3.79Å; L166-V198 HydrophobicContact CD1-CB 4.49Å; L166-V198 HydrophobicContact CD1-CG2 3.9Å; L189-V198 HydrophobicContact CD2-CG1 3.93Å; M194-V198 HydrophobicContact CE-CG1 4.45Å; M194-V198 HydrophobicContact SD-CG1 3.82Å; T195-V198 PolarHBondContact O-N 3.05Å; T195-V198 WeakPolarHBondContact OG1-CG2 3.31Å; T195-V198 PolarHBondContact OG1-N 3.39Å; V198-K200 VanDerWaalsContact C-N 3.26Å; V198-K200 PolarHBondContact O-N 2.82Å; V198-L201 PolarHBondContact O-N 3.26Å; V198-Q202 WeakPolarHBondContact O-CB 3.33Å; V198-Q202 PolarHBondContact O-N 2.89Å |
| 199 | S | 93.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -31.8 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 113 | T195 R203 | T195-S199 PolarHBondContact O-N 2.75Å; T195-S199 PolarHBondContact O-OG 3.07Å; S199-R203 WeakPolarHBondContact O-CG 3.43Å; S199-R203 PolarHBondContact O-N 3.27Å; S199-R203 PolarHBondContact O-NE 2.82Å |
| 200 | K | 93.8 | Very high | 91.7 | Very high | 106 Ų | 106 | 58.8 Ų | 58.8 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.4 | -46.6 | 173.3 | -175.5 | -173 | 171.1 | -162 | 0 | 110.6 | E171 K196 K197 V198 Q202 R203 A204 | E171-K200 IonicContact OE1-NZ 3.52Å; E171-K200 PolarHBondContact OE1-NZ 2.84Å; K196-K200 PolarHBondContact O-N 2.77Å; K197-K200 WeakPolarHBondContact O-CB 3.44Å; K197-K200 PolarHBondContact O-N 2.92Å; V198-K200 VanDerWaalsContact C-N 3.26Å; V198-K200 PolarHBondContact O-N 2.82Å; K200-Q202 VanDerWaalsContact C-N 3.32Å; K200-Q202 PolarHBondContact O-N 2.91Å; K200-R203 PolarHBondContact O-N 3.49Å; K200-A204 PolarHBondContact O-N 3.44Å; K200-A204 VanDerWaalsContact O-N 3.15Å |
| 201 | L | 94 | Very high | 91.8 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 175.9 | -179.6 | 61.8 | 0 | 0 | 0 | 111.4 | M159 A162 L166 M174 L178 L189 K197 V198 R203 A204 S205 | M159-L201 HydrophobicContact SD-CD1 4.06Å; M159-L201 HydrophobicContact SD-CD2 3.77Å; M159-L201 HydrophobicContact SD-CG 4.08Å; A162-L201 HydrophobicContact CB-CD2 4.3Å; L166-L201 HydrophobicContact CD1-CB 4.09Å; L166-L201 HydrophobicContact CD1-CD2 3.91Å; L166-L201 HydrophobicContact CD2-CD2 4.39Å; L166-L201 HydrophobicContact CG-CD2 4.36Å; M174-L201 HydrophobicContact CE-CD1 4.17Å; L178-L201 HydrophobicContact CD1-CD1 4.05Å; L189-L201 HydrophobicContact CD1-CD2 4.04Å; L189-L201 HydrophobicContact CD1-CG 4.05Å; K197-L201 PolarHBondContact O-N 2.9Å; V198-L201 PolarHBondContact O-N 3.26Å; L201-R203 PolarHBondContact O-N 2.63Å; L201-A204 PolarHBondContact O-N 3.06Å; L201-A204 VanDerWaalsContact O-N 3.11Å; L201-S205 WeakPolarHBondContact O-CB 3.13Å; L201-S205 PolarHBondContact O-N 3.37Å; L201-S205 PolarHBondContact O-OG 3.39Å |
| 202 | Q | 94.5 | Very high | 91.9 | Very high | 49 Ų | 49 | 64.7 Ų | 64.7 | 23% | 0.229 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -52.4 | -53.2 | 176.4 | 179.5 | -169.1 | -17.7 | 0 | 0 | 111.3 | I51 M194 V198 K200 A204 S205 L206 | I51-Q202 HydrophobicContact CD1-CB 4.16Å; I51-Q202 VanDerWaalsContact CD1-CD 3.48Å; I51-Q202 HydrophobicContact CD1-CG 3.84Å; M194-Q202 VanDerWaalsContact CE-OE1 3.23Å; V198-Q202 WeakPolarHBondContact O-CB 3.33Å; V198-Q202 PolarHBondContact O-N 2.89Å; K200-Q202 VanDerWaalsContact C-N 3.32Å; K200-Q202 PolarHBondContact O-N 2.91Å; Q202-A204 PolarHBondContact O-N 2.98Å; Q202-S205 PolarHBondContact O-N 3.29Å; Q202-L206 HydrophobicContact CG-CD2 4.43Å; Q202-L206 PolarHBondContact O-N 3.29Å |
| 203 | R | 94.2 | Very high | 92.2 | Very high | 193 Ų | 193 | 68.2 Ų | 68.2 | 73% | 0.728 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.3 | -28.9 | -179.2 | -71.5 | -179.4 | -68.7 | 155.4 | -1.3 | 113.4 | S199 K200 L201 | S199-R203 WeakPolarHBondContact O-CG 3.43Å; S199-R203 PolarHBondContact O-N 3.27Å; S199-R203 PolarHBondContact O-NE 2.82Å; K200-R203 PolarHBondContact O-N 3.49Å; L201-R203 PolarHBondContact O-N 2.63Å |
| 204 | A | 93.3 | Very high | 92.2 | Very high | 67 Ų | 67 | 69.1 Ų | 69.1 | 55% | 0.554 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -85 | -20.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K200 L201 Q202 | K200-A204 PolarHBondContact O-N 3.44Å; K200-A204 VanDerWaalsContact O-N 3.15Å; L201-A204 PolarHBondContact O-N 3.06Å; L201-A204 VanDerWaalsContact O-N 3.11Å; Q202-A204 PolarHBondContact O-N 2.98Å |
| 205 | S | 94.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 70.4 Ų | 70.4 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -127.7 | -18.6 | -165.6 | 59.2 | 0 | 0 | 0 | 0 | 116.1 | M159 R185 T187 L201 Q202 | M159-S205 WeakPolarHBondContact CE-OG 3.29Å; R185-S205 PolarHBondContact NH2-O 2.85Å; R185-S205 VanDerWaalsContact NH2-O 3.16Å; T187-S205 PolarHBondContact OG1-O 2.94Å; L201-S205 WeakPolarHBondContact O-CB 3.13Å; L201-S205 PolarHBondContact O-N 3.37Å; L201-S205 PolarHBondContact O-OG 3.39Å; Q202-S205 PolarHBondContact O-N 3.29Å |
| 206 | L | 96.4 | Very high | 89.3 | Confident | 21 Ų | 21 | 71.5 Ų | 71.5 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | trans | -111.4 | 149.8 | -179.6 | -71.5 | 68.1 | 0 | 0 | 0 | 111.5 | D49 I50 I51 M159 T187 L189 Q202 P209 | D49-L206 HydrophobicContact CB-CB 4.31Å; D49-L206 HydrophobicContact CB-CG 4.41Å; D49-L206 VanDerWaalsContact OD2-CA 3.28Å; D49-L206 WeakPolarHBondContact OD2-CA 3.27Å; I50-L206 WeakPolarHBondContact O-CD2 3.29Å; I51-L206 HydrophobicContact CB-CD2 4.09Å; M159-L206 HydrophobicContact CE-CD1 4.02Å; T187-L206 HydrophobicContact CG2-CD1 3.68Å; T187-L206 HydrophobicContact CG2-CG 3.88Å; L189-L206 HydrophobicContact CB-CD1 4.04Å; L189-L206 HydrophobicContact CB-CD2 4.06Å; L189-L206 HydrophobicContact CD1-CD1 4.02Å; Q202-L206 HydrophobicContact CG-CD2 4.43Å; Q202-L206 PolarHBondContact O-N 3.29Å; L206-P209 HydrophobicContact CB-CB 4.03Å; L206-P209 HydrophobicContact CB-CG 3.99Å; L206-P209 HydrophobicContact CD2-CB 3.57Å; L206-P209 HydrophobicContact CD2-CG 4.02Å; L206-P209 HydrophobicContact CG-CB 4.37Å | ||
| 207 | Q | 95.8 | Very high | 87.4 | Confident | 146 Ų | 146 | 69.7 Ų | 69.7 | 68% | 0.682 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -118.3 | 117.1 | 176 | -175.4 | 177.2 | 9 | 0 | 0 | 111 | D49 | D49-Q207 PolarHBondContact OD2-N 3.43Š|
| 208 | D | 95.2 | Very high | 85.3 | Confident | 112 Ų | 112 | 70.7 Ų | 70.7 | 60% | 0.599 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 43.1 | 56.9 | -178.1 | -171.5 | 28.5 | 0 | 0 | 0 | 114 | R48 | R48-D208 IonicContact CZ-OD2 3.48Å; R48-D208 VanDerWaalsContact CZ-OD2 3.26Å; R48-D208 PolarHBondContact NE-O 2.92Å; R48-D208 IonicContact NH1-OD2 2.86Å; R48-D208 PolarHBondContact NH2-O 3.25Å; R48-D208 IonicContact NH2-OD1 2.69Å; R48-D208 PolarHBondContact NH2-OD1 3.39Å; R48-D208 IonicContact NH2-OD2 3.49Å; R48-D208 PolarHBondContact NH2-OD2 3.33Å |
| 209 | P | 97 | Very high | 83.3 | Confident | 34 Ų | 34 | 76 Ų | 76 | 22% | 0.221 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 142.1 | -171.6 | 32.4 | -36.2 | 0 | 0 | 0 | 112.4 | D49 I51 L206 | D49-P209 HydrophobicContact CB-CB 3.96Å; D49-P209 CarbonylContact O-C 3.58Å; D49-P209 VanDerWaalsContact O-CA 3.28Å; D49-P209 WeakPolarHBondContact O-CA 3.42Å; I51-P209 HydrophobicContact CG2-CB 4.33Å; I51-P209 HydrophobicContact CG2-CG 4.45Å; L206-P209 HydrophobicContact CB-CB 4.03Å; L206-P209 HydrophobicContact CB-CG 3.99Å; L206-P209 HydrophobicContact CD2-CB 3.57Å; L206-P209 HydrophobicContact CD2-CG 4.02Å; L206-P209 HydrophobicContact CG-CB 4.37Å |
| 210 | V | 97.4 | Very high | 81.4 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 26% | 0.261 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 124.7 | 167.9 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | V43 R48 D49 I51 I212 | V43-V210 HydrophobicContact CG1-CB 3.62Å; V43-V210 HydrophobicContact CG1-CG1 3.97Å; V43-V210 HydrophobicContact CG1-CG2 3.66Å; V43-V210 HydrophobicContact CG2-CG1 4.14Å; R48-V210 HydrophobicContact CB-CG2 4.21Å; R48-V210 HydrophobicContact CG-CG2 4.48Å; D49-V210 PolarHBondContact O-N 3.32Å; I51-V210 PolarHBondContact N-O 3.19Å; V210-I212 HydrophobicContact CG1-CG1 4.31Å |
| 211 | K | 95.4 | Very high | 79.9 | Confident | 120 Ų | 120 | 72.6 Ų | 72.6 | 52% | 0.522 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.2 | 174.8 | -175.6 | -179.1 | 176.2 | -159 | 0 | 109.6 | I51 E213 | I51-K211 HydrophobicContact CG2-CB 3.88Å; I51-K211 HydrophobicContact CG2-CG 4.09Å; I51-K211 WeakPolarHBondContact O-CA 3.4Å; K211-E213 WeakPolarHBondContact CE-OE2 3.46Å; K211-E213 IonicContact NZ-OE2 3.92Å; K211-E213 PolarHBondContact NZ-OE2 3.26Å |
| 212 | I | 92.9 | Very high | 78.5 | Confident | 5 Ų | 5 | 79.2 Ų | 79.2 | 3% | 0.026 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114.9 | 176.7 | -63.5 | -178 | 0 | 0 | 0 | 106.4 | V36 E39 A40 V43 I50 I51 G52 L53 V210 V214 | V36-I212 HydrophobicContact CG2-CG2 4.43Å; E39-I212 HydrophobicContact CB-CD1 4.38Å; E39-I212 HydrophobicContact CB-CG2 3.73Å; E39-I212 WeakPolarHBondContact OE2-CG2 3.36Å; A40-I212 HydrophobicContact CB-CD1 3.55Å; V43-I212 HydrophobicContact CG2-CD1 4.49Å; I50-I212 HydrophobicContact CD1-CD1 4.25Å; I50-I212 HydrophobicContact CG1-CD1 4.45Å; I50-I212 HydrophobicContact CG2-CD1 3.79Å; I50-I212 HydrophobicContact CG2-CG1 4.26Å; I51-I212 PolarHBondContact O-N 3.4Å; G52-I212 CarbonylContact C-O 3.55Å; G52-I212 WeakPolarHBondContact CA-O 3.47Å; L53-I212 PolarHBondContact N-O 3.11Å; V210-I212 HydrophobicContact CG1-CG1 4.31Å; I212-V214 HydrophobicContact CG2-CG2 4.44Å |
| 213 | E | 87.7 | Confident | 77.6 | Confident | 101 Ų | 101 | 82.5 Ų | 82.5 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 96.1 | -178 | -176.4 | 166 | -171.1 | 0 | 0 | 108.8 | L53 K211 S215 | L53-E213 HydrophobicContact CB-CB 4.4Å; L53-E213 HydrophobicContact CB-CG 4.15Å; L53-E213 HydrophobicContact CD1-CG 4.2Å; K211-E213 WeakPolarHBondContact CE-OE2 3.46Å; K211-E213 IonicContact NZ-OE2 3.92Å; K211-E213 PolarHBondContact NZ-OE2 3.26Å; E213-S215 VanDerWaalsContact C-N 3.26Å; E213-S215 PolarHBondContact O-N 3.19Å |
| 214 | V | 78 | Confident | 77.2 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 17% | 0.17 | 39% | 0.386 | C | S | . | . | trans | -80.4 | 90 | 170.9 | -173.7 | 0 | 0 | 0 | 0 | 105.9 | K35 V36 L53 I212 S216 | K35-V214 HydrophobicContact CB-CG1 3.76Å; K35-V214 HydrophobicContact CB-CG2 4.36Å; K35-V214 HydrophobicContact CD-CG1 4.08Å; V36-V214 HydrophobicContact CB-CG2 3.79Å; V36-V214 HydrophobicContact CG2-CG2 4.09Å; L53-V214 PolarHBondContact O-N 2.94Å; I212-V214 HydrophobicContact CG2-CG2 4.44Å; V214-S216 PolarHBondContact O-N 3.15Å | ||
| 215 | S | 59 | Low | 77.1 | Confident | 99 Ų | 99 | 76.4 Ų | 76.4 | 69% | 0.692 | 39% | 0.385 | S | S | * | . | trans | -56.6 | 112.1 | 177.8 | 68 | 0 | 0 | 0 | 0 | 109.7 | E213 | E213-S215 VanDerWaalsContact C-N 3.26Å; E213-S215 PolarHBondContact O-N 3.19Å | ||
| 216 | S | 51.4 | Low | 77.1 | Confident | 54 Ų | 54 | 76.5 Ų | 76.5 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | trans | -103.9 | 121.6 | 136.5 | 60.8 | 0 | 0 | 0 | 0 | 103.5 | V214 Y218 | V214-S216 PolarHBondContact O-N 3.15Å; S216-Y218 PolarHBondContact O-N 3.06Å | ||
| 217 | K | 48.8 | Very low | 77.1 | Confident | 157 Ų | 157 | 78.3 Ų | 78.3 | 68% | 0.683 | 39% | 0.391 | S | S | * | . | trans | -42.5 | 147.8 | 145 | -71.6 | 175.8 | 178 | 176.1 | 0 | 105.7 | Q219 | K217-Q219 HydrophobicContact CB-CB 4.37Å; K217-Q219 HydrophobicContact CB-CG 3.98Å; K217-Q219 PolarHBondContact O-N 3.34Å | ||
| 218 | Y | 47.4 | Very low | 77.2 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 36% | 0.361 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -63.5 | 34.2 | 171.8 | -68.6 | -80.1 | 0 | 0 | 0 | 112.8 | T193 S216 T220 I334 | T193-Y218 HydrophobicContact CG2-CE1 4.5Å; T193-Y218 WeakPolarHBondContact CG2-OH 3.41Å; S216-Y218 PolarHBondContact O-N 3.06Å; Y218-T220 PolarHBondContact O-N 3.23Å; Y218-I334 HydrophobicContact CD1-CD1 3.33Å; Y218-I334 HydrophobicContact CE1-CD1 4.26Å; Y218-I334 HydrophobicContact CG-CD1 3.83Å |
| 219 | Q | 49 | Very low | 77.4 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 52% | 0.523 | 34% | 0.34 | S | S | . | . | trans | -63.9 | 110.2 | 158 | -76.3 | 173.8 | -25.9 | 0 | 0 | 107.7 | K217 | K217-Q219 HydrophobicContact CB-CB 4.37Å; K217-Q219 HydrophobicContact CB-CG 3.98Å; K217-Q219 PolarHBondContact O-N 3.34Å | ||
| 220 | T | 53 | Low | 77.4 | Confident | 12 Ų | 12 | 72.6 Ų | 72.6 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | trans | -37.5 | 138.4 | 146.1 | 53.4 | 0 | 0 | 0 | 0 | 111.1 | Y218 D222 L224 Q226 Y333 V337 | Y218-T220 PolarHBondContact O-N 3.23Å; T220-D222 PolarHBondContact O-N 3.35Å; T220-L224 HydrophobicContact CG2-CD2 4.09Å; T220-Q226 VanDerWaalsContact CG2-CD 3.41Å; T220-Q226 VanDerWaalsContact CG2-NE2 3.34Å; T220-Q226 PolarHBondContact OG1-NE2 3.05Å; T220-Y333 HydrophobicContact CG2-CE1 4.39Å; T220-V337 HydrophobicContact CG2-CG2 3.9Å | ||
| 221 | V | 62.3 | Low | 77.4 | Confident | 64 Ų | 64 | 70.9 Ų | 70.9 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | trans | -42 | 133.6 | 178.2 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | K223 L224 A341 | V221-K223 PolarHBondContact O-N 3.43Å; V221-L224 HydrophobicContact CB-CB 4.41Å; V221-L224 WeakPolarHBondContact O-CB 3.44Å; V221-L224 PolarHBondContact O-N 3.06Å; V221-A341 HydrophobicContact CB-CB 4.33Å; V221-A341 WeakPolarHBondContact CG1-O 3.4Å | ||
| 222 | D | 65.5 | Low | 77.5 | Confident | 148 Ų | 148 | 68 Ų | 68 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -27.9 | -173.6 | -66.3 | -38.5 | 0 | 0 | 0 | 113.8 | T220 L224 | T220-D222 PolarHBondContact O-N 3.35Å; D222-L224 VanDerWaalsContact C-N 3.33Å |
| 223 | K | 74.7 | Confident | 77.7 | Confident | 118 Ų | 118 | 71.6 Ų | 71.6 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 0.3 | 177.9 | -66.8 | -175.7 | 170.4 | -179 | 0 | 114.8 | V221 G344 G347 | V221-K223 PolarHBondContact O-N 3.43Å; K223-G344 VanDerWaalsContact CD-O 3.25Å; K223-G344 WeakPolarHBondContact CD-O 3.13Å; K223-G344 PolarHBondContact NZ-O 3.39Å; K223-G347 PolarHBondContact O-N 2.77Å |
| 224 | L | 85.9 | Confident | 78.1 | Confident | 8 Ų | 8 | 74.3 Ų | 74.3 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 106.3 | 179.6 | 176.5 | 50.5 | 0 | 0 | 0 | 110.6 | T220 V221 D222 Q226 V337 T340 A341 G347 | T220-L224 HydrophobicContact CG2-CD2 4.09Å; V221-L224 HydrophobicContact CB-CB 4.41Å; V221-L224 WeakPolarHBondContact O-CB 3.44Å; V221-L224 PolarHBondContact O-N 3.06Å; D222-L224 VanDerWaalsContact C-N 3.33Å; L224-Q226 HydrophobicContact CD1-CG 4.44Å; L224-Q226 HydrophobicContact CD2-CG 4.27Å; L224-Q226 HydrophobicContact CG-CG 3.87Å; L224-Q226 PolarHBondContact O-NE2 3.41Å; L224-V337 HydrophobicContact CD2-CB 3.7Å; L224-V337 HydrophobicContact CD2-CG2 3.65Å; L224-T340 HydrophobicContact CD1-CG2 3.44Å; L224-T340 VanDerWaalsContact CD1-CG2 3.44Å; L224-T340 HydrophobicContact CD2-CG2 4.48Å; L224-A341 HydrophobicContact CB-CB 3.72Å; L224-A341 HydrophobicContact CD1-CB 4.3Å; L224-A341 HydrophobicContact CG-CB 4.47Å; L224-G347 WeakPolarHBondContact CD1-O 3.35Å |
| 225 | K | 91.1 | Very high | 79 | Confident | 125 Ų | 125 | 75.5 Ų | 75.5 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 123.4 | 171.5 | -61.6 | -175.1 | 176.8 | -174.6 | 0 | 109.3 | Y227 G347 I348 S349 | K225-Y227 HydrophobicContact CB-CE2 3.61Å; K225-G347 PolarHBondContact N-O 2.68Å; K225-I348 HydrophobicContact CB-CG1 4.31Å; K225-I348 CarbonylContact O-C 3.58Å; K225-I348 WeakPolarHBondContact O-CA 3.17Å; K225-S349 PolarHBondContact O-N 3.34Å |
| 226 | Q | 94.2 | Very high | 80.9 | Confident | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.4 | -176.2 | -70.7 | 159.2 | 83.2 | 0 | 0 | 109.3 | T220 L224 Y333 S349 L372 P373 | T220-Q226 VanDerWaalsContact CG2-CD 3.41Å; T220-Q226 VanDerWaalsContact CG2-NE2 3.34Å; T220-Q226 PolarHBondContact OG1-NE2 3.05Å; L224-Q226 HydrophobicContact CD1-CG 4.44Å; L224-Q226 HydrophobicContact CD2-CG 4.27Å; L224-Q226 HydrophobicContact CG-CG 3.87Å; L224-Q226 PolarHBondContact O-NE2 3.41Å; Q226-Y333 WeakPolarHBondContact CG-OH 3.32Å; Q226-Y333 PolarHBondContact OE1-OH 3.13Å; Q226-S349 WeakPolarHBondContact CA-O 3.36Å; Q226-L372 HydrophobicContact CB-CD1 4.2Å; Q226-L372 HydrophobicContact CB-CD2 3.59Å; Q226-L372 HydrophobicContact CB-CG 4.44Å; Q226-P373 VanDerWaalsContact O-CD 3.29Å; Q226-P373 WeakPolarHBondContact O-CD 3.18Å; Q226-P373 WeakPolarHBondContact O-CG 3.14Å |
| 227 | Y | 97.4 | Very high | 83.1 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 163.4 | 178.7 | -54.7 | -89.7 | 0 | 0 | 0 | 110 | K225 I348 S349 I350 T351 P373 Y375 | K225-Y227 HydrophobicContact CB-CE2 3.61Å; Y227-I348 HydrophobicContact CD2-CG2 4.21Å; Y227-I348 HydrophobicContact CE2-CG2 4.34Å; Y227-S349 PolarHBondContact N-O 3Å; Y227-I350 WeakPolarHBondContact O-CA 3.49Å; Y227-T351 PolarHBondContact O-N 3.27Å; Y227-P373 VanDerWaalsContact CA-O 3.25Å; Y227-P373 WeakPolarHBondContact CA-O 3.32Å; Y227-P373 HydrophobicContact CD1-CB 4.18Å; Y227-P373 HydrophobicContact CD1-CG 3.66Å; Y227-P373 HydrophobicContact CE1-CB 4.43Å; Y227-P373 HydrophobicContact CE1-CG 3.86Å; Y227-Y375 HydrophobicContact CD1-CD2 4.26Å; Y227-Y375 AromaticContact CD2-CD2 3.88Å; Y227-Y375 HydrophobicContact CD2-CD2 3.88Å; Y227-Y375 HydrophobicContact CD2-CE2 4.43Å; Y227-Y375 HydrophobicContact CE2-CD2 4.5Å; Y227-Y375 AromaticContact CG-CD2 3.76Å; Y227-Y375 HydrophobicContact CG-CD2 3.76Å |
| 228 | Y | 98.3 | Very high | 85.5 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 154.5 | 165.5 | 80.1 | -72.7 | 0 | 0 | 0 | 110.4 | F230 T351 V353 Y361 L372 P373 L374 Y375 | Y228-F230 HydrophobicContact CD2-CB 4.34Å; Y228-F230 HydrophobicContact CE2-CB 3.94Å; Y228-T351 CarbonylContact C-O 3.52Å; Y228-T351 WeakPolarHBondContact CA-O 3.44Å; Y228-V353 HydrophobicContact CD2-CB 4.37Å; Y228-V353 HydrophobicContact CD2-CG2 3.88Å; Y228-V353 HydrophobicContact CG-CG2 4.42Å; Y228-Y361 VanDerWaalsContact CD1-OH 3.25Å; Y228-Y361 WeakPolarHBondContact CD1-OH 3.33Å; Y228-Y361 HydrophobicContact CD2-CE1 4.2Å; Y228-Y361 HydrophobicContact CE2-CE1 4.42Å; Y228-Y361 HydrophobicContact CG-CE1 4.3Å; Y228-Y361 HydrophobicContact CG-CE2 4.18Å; Y228-Y361 AromaticContact CG-CZ 3.68Å; Y228-L372 HydrophobicContact CD1-CB 4.14Å; Y228-L372 WeakPolarHBondContact CD1-O 3.36Å; Y228-L372 WeakPolarHBondContact CE1-O 3.46Å; Y228-P373 WeakPolarHBondContact CD1-O 3.25Å; Y228-P373 PolarHBondContact N-O 3.49Å; Y228-P373 VanDerWaalsContact N-O 3.1Å; Y228-L374 HydrophobicContact CD1-CD2 4.3Å; Y228-L374 HydrophobicContact CD1-CG 4.49Å; Y228-L374 HydrophobicContact CD2-CD2 4.08Å; Y228-L374 HydrophobicContact CE1-CB 4.35Å; Y228-L374 HydrophobicContact CE1-CD2 3.73Å; Y228-L374 HydrophobicContact CE1-CG 3.67Å; Y228-L374 HydrophobicContact CE2-CD2 3.51Å; Y228-L374 HydrophobicContact CE2-CG 4.28Å; Y228-L374 HydrophobicContact CG-CD2 4.46Å; Y228-L374 CarbonylContact O-C 3.51Å; Y228-L374 WeakPolarHBondContact O-CA 3.36Å; Y228-L374 WeakPolarHBondContact OH-CG 3.42Å; Y228-Y375 PolarHBondContact O-N 2.88Å |
| 229 | V | 98.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137 | 163.6 | -68.3 | 0 | 0 | 0 | 0 | 108 | I231 I243 I350 T351 F352 V353 Y375 T377 | V229-I231 HydrophobicContact CB-CG2 4.09Å; V229-I231 HydrophobicContact CG2-CD1 4.08Å; V229-I231 HydrophobicContact CG2-CG1 4.33Å; V229-I231 HydrophobicContact CG2-CG2 4.32Å; V229-I243 HydrophobicContact CG1-CD1 4.19Å; V229-I350 HydrophobicContact CG1-CG2 4.2Å; V229-I350 HydrophobicContact CG2-CG2 4.49Å; V229-T351 PolarHBondContact N-O 3.05Å; V229-F352 HydrophobicContact CG2-CB 4.18Å; V229-F352 HydrophobicContact CG2-CD1 3.5Å; V229-F352 HydrophobicContact CG2-CD2 4.26Å; V229-F352 HydrophobicContact CG2-CE1 3.89Å; V229-F352 HydrophobicContact CG2-CG 3.71Å; V229-F352 HydrophobicContact CG2-CZ 4.42Å; V229-V353 WeakPolarHBondContact O-CB 3.48Å; V229-V353 PolarHBondContact O-N 3.23Å; V229-Y375 HydrophobicContact CG1-CD1 4.42Å; V229-Y375 HydrophobicContact CG1-CG 4.46Å; V229-T377 HydrophobicContact CG1-CG2 4.15Å |
| 230 | F | 97.8 | Very high | 90.3 | Very high | 120 Ų | 120 | 53 Ų | 53 | 53% | 0.526 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 107.1 | 173.1 | -171.5 | -124.1 | 0 | 0 | 0 | 109.9 | Y228 V353 V358 L374 | Y228-F230 HydrophobicContact CD2-CB 4.34Å; Y228-F230 HydrophobicContact CE2-CB 3.94Å; F230-V353 CarbonylContact C-O 3.59Å; F230-V353 WeakPolarHBondContact CA-O 3.5Å; F230-V353 HydrophobicContact CD2-CB 4.03Å; F230-V353 HydrophobicContact CD2-CG1 3.82Å; F230-V353 WeakPolarHBondContact CD2-O 3.31Å; F230-V353 HydrophobicContact CE2-CG1 4.18Å; F230-V358 HydrophobicContact CE2-CG2 4.03Å; F230-V358 HydrophobicContact CZ-CG2 4.36Å; F230-L374 HydrophobicContact CB-CD2 4.47Å |
| 231 | I | 97.7 | Very high | 92.4 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | trans | -139.5 | 149 | -165.1 | 57.4 | 172.8 | 0 | 0 | 0 | 111.5 | V229 Q233 K236 Y239 F352 V353 T354 | V229-I231 HydrophobicContact CB-CG2 4.09Å; V229-I231 HydrophobicContact CG2-CD1 4.08Å; V229-I231 HydrophobicContact CG2-CG1 4.33Å; V229-I231 HydrophobicContact CG2-CG2 4.32Å; I231-Q233 PolarHBondContact O-N 2.95Å; I231-K236 HydrophobicContact CD1-CG 4.25Å; I231-Y239 HydrophobicContact CB-CD2 4.02Å; I231-Y239 HydrophobicContact CB-CE2 3.99Å; I231-Y239 HydrophobicContact CB-CG 4.4Å; I231-Y239 HydrophobicContact CD1-CD1 4.39Å; I231-Y239 HydrophobicContact CD1-CD2 3.77Å; I231-Y239 HydrophobicContact CD1-CG 3.66Å; I231-Y239 HydrophobicContact CG2-CD1 3.67Å; I231-Y239 HydrophobicContact CG2-CD2 3.76Å; I231-Y239 HydrophobicContact CG2-CE1 3.48Å; I231-Y239 VanDerWaalsContact CG2-CE1 3.48Å; I231-Y239 HydrophobicContact CG2-CE2 3.59Å; I231-Y239 HydrophobicContact CG2-CG 3.81Å; I231-Y239 VanDerWaalsContact CG2-CZ 3.45Å; I231-F352 HydrophobicContact CD1-CD2 3.62Å; I231-F352 HydrophobicContact CD1-CE2 4.05Å; I231-F352 HydrophobicContact CD1-CG 4.29Å; I231-V353 PolarHBondContact N-O 3.3Å; I231-T354 VanDerWaalsContact O-CA 3.25Å; I231-T354 WeakPolarHBondContact O-CA 3.32Å; I231-T354 WeakPolarHBondContact O-CB 3.49Å; I231-T354 WeakPolarHBondContact O-CG2 2.73Å | ||
| 232 | P | 97.3 | Very high | 94.2 | Very high | 58 Ų | 58 | 51.6 Ų | 51.6 | 38% | 0.377 | 24% | 0.237 | S | C | . | . | trans | -62.2 | 134.9 | 172 | -22 | 33.3 | 0 | 0 | 0 | 111.4 | K234 Y235 | P232-K234 PolarHBondContact O-N 3.2Å; P232-Y235 HydrophobicContact CB-CD2 3.91Å; P232-Y235 HydrophobicContact CB-CE2 4.38Å; P232-Y235 HydrophobicContact CG-CD2 3.95Å; P232-Y235 HydrophobicContact CG-CE2 4.35Å; P232-Y235 PolarHBondContact O-N 2.74Å | ||
| 233 | Q | 96.9 | Very high | 95.7 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.383 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -49.6 | -32.5 | 177.6 | 175.3 | 65.1 | 27.9 | 0 | 0 | 113.7 | I231 Y235 K236 T354 Q355 Y356 | I231-Q233 PolarHBondContact O-N 2.95Å; Q233-Y235 VanDerWaalsContact C-N 3.28Å; Q233-Y235 PolarHBondContact O-N 3.29Å; Q233-K236 WeakPolarHBondContact O-CB 3.34Å; Q233-K236 PolarHBondContact O-N 2.94Å; Q233-T354 HydrophobicContact CB-CG2 4.1Å; Q233-Q355 VanDerWaalsContact N-OE1 3.07Å; Q233-Y356 HydrophobicContact CB-CD2 4.22Å; Q233-Y356 HydrophobicContact CB-CE2 4.09Å; Q233-Y356 HydrophobicContact CG-CE2 4.48Å |
| 234 | K | 96.5 | Very high | 96.8 | Very high | 158 Ų | 158 | 39.2 Ų | 39.2 | 69% | 0.687 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -59.9 | -34.8 | 178.4 | -176 | -176.5 | 174.2 | -167.2 | 0 | 113.1 | P232 | P232-K234 PolarHBondContact O-N 3.2Š|
| 235 | Y | 97.6 | Very high | 97.3 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -99.3 | 4.6 | -173.6 | -57.1 | -55.2 | 0 | 0 | 0 | 113.3 | P232 Q233 D237 C238 Y239 L383 L386 | P232-Y235 HydrophobicContact CB-CD2 3.91Å; P232-Y235 HydrophobicContact CB-CE2 4.38Å; P232-Y235 HydrophobicContact CG-CD2 3.95Å; P232-Y235 HydrophobicContact CG-CE2 4.35Å; P232-Y235 PolarHBondContact O-N 2.74Å; Q233-Y235 VanDerWaalsContact C-N 3.28Å; Q233-Y235 PolarHBondContact O-N 3.29Å; Y235-D237 VanDerWaalsContact C-N 3.31Å; Y235-D237 PolarHBondContact O-N 2.86Å; Y235-C238 WeakPolarHBondContact O-CA 3.36Å; Y235-C238 VanDerWaalsContact O-CB 3.31Å; Y235-C238 WeakPolarHBondContact O-CB 3.45Å; Y235-C238 PolarHBondContact O-N 3.17Å; Y235-Y239 WeakPolarHBondContact O-CD2 3.21Å; Y235-Y239 PolarHBondContact O-N 3.33Å; Y235-Y239 VanDerWaalsContact O-N 3.09Å; Y235-L383 HydrophobicContact CD1-CD2 4.02Å; Y235-L383 HydrophobicContact CD2-CD2 4.43Å; Y235-L383 HydrophobicContact CE1-CD2 4.03Å; Y235-L383 HydrophobicContact CE2-CD2 4.43Å; Y235-L383 HydrophobicContact CG-CD2 4.24Å; Y235-L386 HydrophobicContact CD1-CD1 4.02Å; Y235-L386 HydrophobicContact CE1-CD1 4.11Å; Y235-L386 HydrophobicContact CE1-CD2 4.12Å |
| 236 | K | 97.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.6 | -44.1 | -173.2 | -154.1 | 177.2 | -174.6 | 174.5 | 0 | 113.6 | I231 Q233 C238 Y239 L240 F324 D325 F352 T354 | I231-K236 HydrophobicContact CD1-CG 4.25Å; Q233-K236 WeakPolarHBondContact O-CB 3.34Å; Q233-K236 PolarHBondContact O-N 2.94Å; K236-C238 VanDerWaalsContact C-N 3.33Å; K236-C238 PolarHBondContact O-N 3.23Å; K236-Y239 PolarHBondContact O-N 2.95Å; K236-L240 PolarHBondContact O-N 3.42Å; K236-F324 HydrophobicContact CB-CE2 4.2Å; K236-F324 HydrophobicContact CB-CZ 3.99Å; K236-F324 HydrophobicContact CD-CD1 4.4Å; K236-F324 HydrophobicContact CD-CE1 3.81Å; K236-F324 HydrophobicContact CD-CE2 4.1Å; K236-F324 HydrophobicContact CD-CZ 3.66Å; K236-F324 WeakPolarHBondContact CE-O 3.28Å; K236-F324 HydrophobicContact CG-CD2 4.26Å; K236-F324 HydrophobicContact CG-CE1 4.21Å; K236-F324 HydrophobicContact CG-CE2 3.59Å; K236-F324 HydrophobicContact CG-CZ 3.56Å; K236-F324 PolarHBondContact NZ-O 2.88Å; K236-D325 IonicContact NZ-OD1 2.65Å; K236-D325 PolarHBondContact NZ-OD1 3.22Å; K236-F352 HydrophobicContact CG-CD2 3.83Å; K236-F352 WeakPolarHBondContact O-CE2 3.28Å; K236-T354 HydrophobicContact CD-CG2 4.21Å |
| 237 | D | 98.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.2 | -31.9 | 176.5 | -71.1 | -31.9 | 0 | 0 | 0 | 112.8 | Y235 L240 V241 R264 L268 F324 V389 N393 | Y235-D237 VanDerWaalsContact C-N 3.31Å; Y235-D237 PolarHBondContact O-N 2.86Å; D237-L240 PolarHBondContact O-N 3.37Å; D237-V241 VanDerWaalsContact O-CG2 3.31Å; D237-V241 WeakPolarHBondContact O-CG2 3.31Å; D237-V241 PolarHBondContact O-N 3.09Å; D237-R264 IonicContact OD1-CZ 3.38Å; D237-R264 IonicContact OD1-NH1 2.77Å; D237-R264 PolarHBondContact OD1-NH1 3.39Å; D237-R264 IonicContact OD1-NH2 2.64Å; D237-R264 PolarHBondContact OD1-NH2 3.16Å; D237-R264 IonicContact OD2-CZ 3.53Å; D237-R264 IonicContact OD2-NH1 3.66Å; D237-R264 PolarHBondContact OD2-NH1 2.78Å; D237-R264 IonicContact OD2-NH2 2.99Å; D237-R264 PolarHBondContact OD2-NH2 3.08Å; D237-L268 HydrophobicContact CB-CD1 4.26Å; D237-F324 VanDerWaalsContact OD1-CZ 3.31Å; D237-F324 WeakPolarHBondContact OD1-CZ 3.42Å; D237-V389 HydrophobicContact CB-CG1 3.67Å; D237-N393 PolarHBondContact OD2-ND2 2.94Å |
| 238 | C | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.4 | -45.2 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | Y235 K236 L240 V241 Y242 V382 | Y235-C238 WeakPolarHBondContact O-CA 3.36Å; Y235-C238 VanDerWaalsContact O-CB 3.31Å; Y235-C238 WeakPolarHBondContact O-CB 3.45Å; Y235-C238 PolarHBondContact O-N 3.17Å; K236-C238 VanDerWaalsContact C-N 3.33Å; K236-C238 PolarHBondContact O-N 3.23Å; C238-L240 VanDerWaalsContact C-N 3.31Å; C238-L240 PolarHBondContact O-N 2.96Å; C238-V241 PolarHBondContact O-N 3.28Å; C238-Y242 WeakPolarHBondContact O-CB 3.47Å; C238-Y242 PolarHBondContact O-N 3.39Å; C238-V382 HydrophobicContact CB-CG1 3.68Å |
| 239 | Y | 98.6 | Very high | 96.3 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 174.2 | -82.5 | -89.3 | 0 | 0 | 0 | 112.3 | I231 Y235 K236 Y242 I243 T377 V382 | I231-Y239 HydrophobicContact CB-CD2 4.02Å; I231-Y239 HydrophobicContact CB-CE2 3.99Å; I231-Y239 HydrophobicContact CB-CG 4.4Å; I231-Y239 HydrophobicContact CD1-CD1 4.39Å; I231-Y239 HydrophobicContact CD1-CD2 3.77Å; I231-Y239 HydrophobicContact CD1-CG 3.66Å; I231-Y239 HydrophobicContact CG2-CD1 3.67Å; I231-Y239 HydrophobicContact CG2-CD2 3.76Å; I231-Y239 HydrophobicContact CG2-CE1 3.48Å; I231-Y239 VanDerWaalsContact CG2-CE1 3.48Å; I231-Y239 HydrophobicContact CG2-CE2 3.59Å; I231-Y239 HydrophobicContact CG2-CG 3.81Å; I231-Y239 VanDerWaalsContact CG2-CZ 3.45Å; Y235-Y239 WeakPolarHBondContact O-CD2 3.21Å; Y235-Y239 PolarHBondContact O-N 3.33Å; Y235-Y239 VanDerWaalsContact O-N 3.09Å; K236-Y239 PolarHBondContact O-N 2.95Å; Y239-Y242 PolarHBondContact O-N 2.9Å; Y239-I243 WeakPolarHBondContact O-CB 3.39Å; Y239-I243 WeakPolarHBondContact O-CG1 3.4Å; Y239-I243 PolarHBondContact O-N 3.08Å; Y239-T377 HydrophobicContact CD1-CG2 4.22Å; Y239-T377 HydrophobicContact CE1-CG2 4.17Å; Y239-V382 HydrophobicContact CD1-CG1 4.21Å; Y239-V382 HydrophobicContact CD1-CG2 4.01Å; Y239-V382 HydrophobicContact CD2-CG1 3.65Å; Y239-V382 HydrophobicContact CE1-CB 4.45Å; Y239-V382 HydrophobicContact CE1-CG1 4.29Å; Y239-V382 HydrophobicContact CE1-CG2 3.79Å; Y239-V382 HydrophobicContact CE2-CB 4.42Å; Y239-V382 HydrophobicContact CE2-CG1 3.74Å; Y239-V382 HydrophobicContact CG-CG1 3.9Å |
| 240 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 174.4 | 176.4 | 62.8 | 0 | 0 | 0 | 110.9 | K236 D237 C238 L244 V254 L269 I322 F324 F352 | K236-L240 PolarHBondContact O-N 3.42Å; D237-L240 PolarHBondContact O-N 3.37Å; C238-L240 VanDerWaalsContact C-N 3.31Å; C238-L240 PolarHBondContact O-N 2.96Å; L240-L244 HydrophobicContact CD1-CD1 3.81Å; L240-L244 HydrophobicContact CD1-CG 4.11Å; L240-L244 HydrophobicContact CG-CD1 3.9Å; L240-L244 WeakPolarHBondContact O-CB 3.47Å; L240-L244 WeakPolarHBondContact O-CG 3.32Å; L240-L244 PolarHBondContact O-N 3.13Å; L240-V254 HydrophobicContact CD1-CG1 4.01Å; L240-V254 HydrophobicContact CD1-CG2 4.2Å; L240-V254 HydrophobicContact CD2-CG1 4.5Å; L240-L269 HydrophobicContact CD2-CD1 4.35Å; L240-L269 HydrophobicContact CD2-CD2 4.5Å; L240-I322 HydrophobicContact CD1-CD1 3.83Å; L240-I322 HydrophobicContact CD1-CG2 4.15Å; L240-F324 HydrophobicContact CB-CD2 4.07Å; L240-F324 HydrophobicContact CB-CE2 3.87Å; L240-F324 HydrophobicContact CD1-CD2 4.27Å; L240-F324 HydrophobicContact CD2-CD2 3.81Å; L240-F324 HydrophobicContact CD2-CE2 3.8Å; L240-F324 HydrophobicContact CG-CD2 4.27Å; L240-F324 HydrophobicContact CG-CE2 4.36Å; L240-F352 HydrophobicContact CB-CE2 4.02Å; L240-F352 HydrophobicContact CB-CZ 4.26Å |
| 241 | V | 98.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 180 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | D237 C238 L244 N245 L268 L269 L272 F274 L385 V389 | D237-V241 VanDerWaalsContact O-CG2 3.31Å; D237-V241 WeakPolarHBondContact O-CG2 3.31Å; D237-V241 PolarHBondContact O-N 3.09Å; C238-V241 PolarHBondContact O-N 3.28Å; V241-L244 PolarHBondContact O-N 3.18Å; V241-N245 PolarHBondContact O-N 3.49Å; V241-N245 PolarHBondContact O-ND2 2.65Å; V241-L268 HydrophobicContact CG2-CD2 4.1Å; V241-L269 HydrophobicContact CG2-CD2 4.04Å; V241-L272 HydrophobicContact CB-CD1 4.41Å; V241-L272 HydrophobicContact CG1-CD1 4.12Å; V241-L272 HydrophobicContact CG2-CD1 3.39Å; V241-F274 HydrophobicContact CG1-CE2 4.09Å; V241-F274 HydrophobicContact CG1-CZ 4.35Å; V241-L385 HydrophobicContact CG1-CD1 4.13Å; V241-V389 HydrophobicContact CB-CG2 4.17Å; V241-V389 HydrophobicContact CG1-CG2 4.3Å; V241-V389 HydrophobicContact CG2-CG2 4.01Å |
| 242 | Y | 98.2 | Very high | 95.5 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.1 | -53.9 | 175.7 | 176.5 | -91.1 | 0 | 0 | 0 | 111.3 | C238 Y239 L244 N245 E246 T377 A381 V382 L385 | C238-Y242 WeakPolarHBondContact O-CB 3.47Å; C238-Y242 PolarHBondContact O-N 3.39Å; Y239-Y242 PolarHBondContact O-N 2.9Å; Y242-L244 VanDerWaalsContact C-N 3.33Å; Y242-L244 PolarHBondContact O-N 3.03Å; Y242-N245 WeakPolarHBondContact O-CB 3.3Å; Y242-N245 PolarHBondContact O-N 3.47Å; Y242-N245 VanDerWaalsContact O-N 3.15Å; Y242-E246 VanDerWaalsContact CE1-OE2 3.26Å; Y242-E246 WeakPolarHBondContact CE1-OE2 3.22Å; Y242-E246 PolarHBondContact O-N 3.05Å; Y242-E246 PolarHBondContact OH-OE2 2.87Å; Y242-T377 HydrophobicContact CD1-CG2 4.4Å; Y242-T377 HydrophobicContact CE1-CG2 4.15Å; Y242-A381 HydrophobicContact CD2-CB 4.43Å; Y242-A381 HydrophobicContact CE2-CB 3.82Å; Y242-V382 HydrophobicContact CD1-CG2 3.93Å; Y242-V382 HydrophobicContact CD2-CG2 3.73Å; Y242-V382 HydrophobicContact CE1-CG2 4.42Å; Y242-V382 HydrophobicContact CE2-CG2 4.2Å; Y242-V382 HydrophobicContact CG-CG2 3.58Å; Y242-L385 HydrophobicContact CD2-CD1 4.47Å |
| 243 | I | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -39.7 | -179.7 | -73.2 | 167 | 0 | 0 | 0 | 111.4 | V229 Y239 N245 E246 M247 I322 I350 F352 Y375 | V229-I243 HydrophobicContact CG1-CD1 4.19Å; Y239-I243 WeakPolarHBondContact O-CB 3.39Å; Y239-I243 WeakPolarHBondContact O-CG1 3.4Å; Y239-I243 PolarHBondContact O-N 3.08Å; I243-N245 VanDerWaalsContact C-N 3.32Å; I243-N245 PolarHBondContact O-N 2.8Å; I243-E246 PolarHBondContact O-N 3.44Å; I243-M247 HydrophobicContact CG2-CG 4.45Å; I243-M247 VanDerWaalsContact O-CB 3.26Å; I243-M247 WeakPolarHBondContact O-CB 3.34Å; I243-M247 VanDerWaalsContact O-CG 3.29Å; I243-M247 WeakPolarHBondContact O-CG 3.49Å; I243-M247 PolarHBondContact O-N 3Å; I243-I322 HydrophobicContact CG2-CD1 3.92Å; I243-I350 HydrophobicContact CD1-CD1 4.4Å; I243-I350 HydrophobicContact CD1-CG2 4.16Å; I243-I350 HydrophobicContact CG2-CD1 3.68Å; I243-F352 HydrophobicContact CD1-CE1 3.58Å; I243-F352 HydrophobicContact CD1-CZ 3.58Å; I243-Y375 HydrophobicContact CD1-CD1 4.45Å; I243-Y375 HydrophobicContact CG1-CD1 4.49Å; I243-Y375 HydrophobicContact CG1-CE1 4.25Å |
| 244 | L | 97.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.3 | -31.3 | 177.7 | -72.4 | 173.6 | 0 | 0 | 0 | 113 | L240 V241 Y242 M247 A248 C252 L269 F274 L302 I322 | L240-L244 HydrophobicContact CD1-CD1 3.81Å; L240-L244 HydrophobicContact CD1-CG 4.11Å; L240-L244 HydrophobicContact CG-CD1 3.9Å; L240-L244 WeakPolarHBondContact O-CB 3.47Å; L240-L244 WeakPolarHBondContact O-CG 3.32Å; L240-L244 PolarHBondContact O-N 3.13Å; V241-L244 PolarHBondContact O-N 3.18Å; Y242-L244 VanDerWaalsContact C-N 3.33Å; Y242-L244 PolarHBondContact O-N 3.03Å; L244-M247 CarbonylContact O-C 3.57Å; L244-A248 PolarHBondContact O-N 2.91Å; L244-C252 HydrophobicContact CD2-CB 4.44Å; L244-L269 HydrophobicContact CD1-CD1 3.98Å; L244-L269 HydrophobicContact CD1-CD2 3.55Å; L244-L269 HydrophobicContact CD1-CG 4.44Å; L244-F274 HydrophobicContact CB-CD1 4.42Å; L244-F274 HydrophobicContact CB-CE1 3.62Å; L244-F274 HydrophobicContact CB-CZ 3.85Å; L244-L302 HydrophobicContact CD1-CD1 3.9Å; L244-L302 HydrophobicContact CD2-CD1 4.17Å; L244-L302 HydrophobicContact CD2-CD2 3.76Å; L244-I322 HydrophobicContact CD2-CD1 3.85Å; L244-I322 HydrophobicContact CG-CD1 4.23Å |
| 245 | N | 95.8 | Very high | 95.5 | Very high | 79 Ų | 79 | 28.6 Ų | 28.6 | 42% | 0.422 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -71.4 | -44.3 | 172.9 | -76.7 | -34 | 0 | 0 | 0 | 111.6 | V241 Y242 I243 M247 A248 F274 | V241-N245 PolarHBondContact O-N 3.49Å; V241-N245 PolarHBondContact O-ND2 2.65Å; Y242-N245 WeakPolarHBondContact O-CB 3.3Å; Y242-N245 PolarHBondContact O-N 3.47Å; Y242-N245 VanDerWaalsContact O-N 3.15Å; I243-N245 VanDerWaalsContact C-N 3.32Å; I243-N245 PolarHBondContact O-N 2.8Å; N245-M247 PolarHBondContact O-N 3.05Å; N245-A248 VanDerWaalsContact O-CB 3.27Å; N245-A248 WeakPolarHBondContact O-CB 3.44Å; N245-A248 PolarHBondContact O-N 3.38Å; N245-F274 VanDerWaalsContact OD1-CZ 3.22Å; N245-F274 WeakPolarHBondContact OD1-CZ 3.23Å |
| 246 | E | 94.9 | Very high | 95.5 | Very high | 95 Ų | 95 | 26.1 Ų | 26.1 | 44% | 0.444 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.7 | -34.2 | 176.2 | -164.4 | -176.3 | 109.1 | 0 | 0 | 111.5 | Y242 I243 Y375 | Y242-E246 VanDerWaalsContact CE1-OE2 3.26Å; Y242-E246 WeakPolarHBondContact CE1-OE2 3.22Å; Y242-E246 PolarHBondContact O-N 3.05Å; Y242-E246 PolarHBondContact OH-OE2 2.87Å; I243-E246 PolarHBondContact O-N 3.44Å; E246-Y375 PolarHBondContact OE1-OH 2.86Å |
| 247 | M | 92.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 7% | 0.069 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 25.9 | -179.9 | -61.4 | -70.7 | -93.8 | 0 | 0 | 112.6 | I243 L244 N245 K250 L320 I348 | I243-M247 HydrophobicContact CG2-CG 4.45Å; I243-M247 VanDerWaalsContact O-CB 3.26Å; I243-M247 WeakPolarHBondContact O-CB 3.34Å; I243-M247 VanDerWaalsContact O-CG 3.29Å; I243-M247 WeakPolarHBondContact O-CG 3.49Å; I243-M247 PolarHBondContact O-N 3Å; L244-M247 CarbonylContact O-C 3.57Å; N245-M247 PolarHBondContact O-N 3.05Å; M247-K250 HydrophobicContact CB-CD 4.26Å; M247-K250 HydrophobicContact CE-CD 3.67Å; M247-K250 VanDerWaalsContact CE-NZ 3.3Å; M247-K250 VanDerWaalsContact O-CB 3.3Å; M247-K250 WeakPolarHBondContact O-CB 3.42Å; M247-K250 PolarHBondContact O-N 3.48Å; M247-K250 HydrophobicContact SD-CD 3.93Å; M247-K250 PolarHBondContact SD-NZ 3.01Å; M247-L320 HydrophobicContact CB-CD2 3.78Å; M247-L320 HydrophobicContact CE-CB 4.46Å; M247-L320 HydrophobicContact CE-CD1 3.91Å; M247-L320 HydrophobicContact CE-CD2 4.07Å; M247-L320 HydrophobicContact CE-CG 4.37Å; M247-L320 HydrophobicContact CG-CD2 3.94Å; M247-I348 HydrophobicContact CE-CB 4.24Å; M247-I348 HydrophobicContact CE-CD1 3.59Å; M247-I348 HydrophobicContact CE-CG2 4.22Å |
| 248 | A | 89.2 | Confident | 95 | Very high | 74 Ų | 74 | 31.4 Ų | 31.4 | 61% | 0.612 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 143.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L244 N245 K250 | L244-A248 PolarHBondContact O-N 2.91Å; N245-A248 VanDerWaalsContact O-CB 3.27Å; N245-A248 WeakPolarHBondContact O-CB 3.44Å; N245-A248 PolarHBondContact O-N 3.38Å; A248-K250 PolarHBondContact O-N 3.05Å |
| 249 | G | 85.1 | Confident | 94.8 | Very high | 84 Ų | 84 | 33.2 Ų | 33.2 | 87% | 0.866 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -13.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 250 | K | 89.5 | Confident | 94.6 | Very high | 75 Ų | 75 | 37.4 Ų | 37.4 | 33% | 0.326 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -78.4 | 141.7 | 173.8 | -69.6 | -176.9 | -176.9 | 173 | 0 | 111.3 | M247 A248 D319 | M247-K250 HydrophobicContact CB-CD 4.26Å; M247-K250 HydrophobicContact CE-CD 3.67Å; M247-K250 VanDerWaalsContact CE-NZ 3.3Å; M247-K250 VanDerWaalsContact O-CB 3.3Å; M247-K250 WeakPolarHBondContact O-CB 3.42Å; M247-K250 PolarHBondContact O-N 3.48Å; M247-K250 HydrophobicContact SD-CD 3.93Å; M247-K250 PolarHBondContact SD-NZ 3.01Å; A248-K250 PolarHBondContact O-N 3.05Å; K250-D319 HydrophobicContact CB-CB 3.88Å; K250-D319 HydrophobicContact CD-CB 4.2Å; K250-D319 HydrophobicContact CG-CB 4.05Å |
| 251 | S | 92.3 | Very high | 94.5 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | trans | -70.7 | 135 | 167.1 | 58.6 | 0 | 0 | 0 | 0 | 109.4 | V318 D319 L320 | S251-V318 VanDerWaalsContact OG-CA 3.27Å; S251-V318 WeakPolarHBondContact OG-CA 3.33Å; S251-D319 PolarHBondContact N-OD2 3.35Å; S251-D319 PolarHBondContact O-N 2.92Å; S251-D319 VanDerWaalsContact O-N 3.14Å; S251-D319 PolarHBondContact OG-N 3.05Å; S251-D319 VanDerWaalsContact OG-N 3.12Å; S251-D319 PolarHBondContact OG-OD2 3.08Å; S251-L320 PolarHBondContact O-N 3.3Å; S251-L320 VanDerWaalsContact O-N 3.08Å | ||
| 252 | C | 95.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 140.7 | -174.8 | 178.5 | 0 | 0 | 0 | 0 | 113.2 | L244 S301 L302 L303 L320 | L244-C252 HydrophobicContact CD2-CB 4.44Å; C252-S301 PolarHBondContact N-O 3.42Å; C252-L302 HydrophobicContact CB-CD2 3.58Å; C252-L302 WeakPolarHBondContact O-CA 3.45Å; C252-L303 PolarHBondContact O-N 3.15Å; C252-L320 WeakPolarHBondContact CA-O 3.44Å; C252-L320 HydrophobicContact CB-CB 4.04Å; C252-L320 HydrophobicContact CB-CD2 4.29Å; C252-L320 HydrophobicContact CB-CG 4.33Å; C252-L320 PolarHBondContact SG-O 2.94Å |
| 253 | I | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127 | 165.6 | -55.2 | 163.8 | 0 | 0 | 0 | 108.4 | F255 F295 L303 A305 I315 V318 L320 I321 I322 R339 | I253-F255 HydrophobicContact CB-CE2 4.29Å; I253-F255 HydrophobicContact CB-CZ 4.49Å; I253-F255 HydrophobicContact CG2-CD1 4.38Å; I253-F255 HydrophobicContact CG2-CD2 4.13Å; I253-F255 HydrophobicContact CG2-CE1 3.94Å; I253-F255 HydrophobicContact CG2-CE2 3.7Å; I253-F255 HydrophobicContact CG2-CG 4.46Å; I253-F255 HydrophobicContact CG2-CZ 3.6Å; I253-F295 HydrophobicContact CG1-CE1 4.25Å; I253-F295 HydrophobicContact CG1-CZ 3.99Å; I253-L303 CarbonylContact C-O 3.52Å; I253-L303 VanDerWaalsContact CA-O 3.3Å; I253-L303 WeakPolarHBondContact CA-O 3.43Å; I253-L303 HydrophobicContact CG1-CB 4.28Å; I253-L303 HydrophobicContact CG1-CD2 4.3Å; I253-A305 HydrophobicContact CG2-CB 4.38Å; I253-I315 HydrophobicContact CD1-CG2 3.52Å; I253-I315 HydrophobicContact CG1-CG2 4.29Å; I253-V318 HydrophobicContact CB-CG2 4.5Å; I253-V318 HydrophobicContact CD1-CG1 4Å; I253-V318 HydrophobicContact CD1-CG2 3.8Å; I253-V318 HydrophobicContact CG1-CB 4.48Å; I253-V318 HydrophobicContact CG1-CG1 3.84Å; I253-V318 HydrophobicContact CG1-CG2 3.91Å; I253-L320 PolarHBondContact N-O 3.01Å; I253-L320 VanDerWaalsContact N-O 3.08Å; I253-I321 HydrophobicContact CB-CD1 3.85Å; I253-I321 HydrophobicContact CD1-CD1 3.93Å; I253-I321 HydrophobicContact CG1-CD1 4.25Å; I253-I322 PolarHBondContact O-N 2.8Å; I253-R339 HydrophobicContact CD1-CB 4.2Å |
| 254 | V | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 115 | 174.6 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | L240 L303 I304 A305 I322 F324 | L240-V254 HydrophobicContact CD1-CG1 4.01Å; L240-V254 HydrophobicContact CD1-CG2 4.2Å; L240-V254 HydrophobicContact CD2-CG1 4.5Å; V254-L303 PolarHBondContact N-O 2.88Å; V254-I304 HydrophobicContact CB-CD1 3.58Å; V254-I304 HydrophobicContact CG1-CD1 4.36Å; V254-I304 HydrophobicContact CG2-CD1 3.63Å; V254-I304 CarbonylContact O-C 3.55Å; V254-I304 WeakPolarHBondContact O-CA 3.3Å; V254-A305 PolarHBondContact O-N 2.77Å; V254-I322 CarbonylContact C-O 3.58Å; V254-I322 WeakPolarHBondContact CA-O 3.49Å; V254-I322 HydrophobicContact CG1-CB 4.26Å; V254-I322 HydrophobicContact CG1-CG2 4.23Å; V254-I322 HydrophobicContact CG2-CB 4.24Å; V254-I322 HydrophobicContact CG2-CD1 4.38Å; V254-F324 HydrophobicContact CG1-CB 3.62Å; V254-F324 HydrophobicContact CG1-CG 4.42Å |
| 255 | F | 97.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 125.6 | 179.1 | -69.8 | -75.8 | 0 | 0 | 0 | 111.9 | I253 A305 S310 I321 I322 F324 D325 R336 | I253-F255 HydrophobicContact CB-CE2 4.29Å; I253-F255 HydrophobicContact CB-CZ 4.49Å; I253-F255 HydrophobicContact CG2-CD1 4.38Å; I253-F255 HydrophobicContact CG2-CD2 4.13Å; I253-F255 HydrophobicContact CG2-CE1 3.94Å; I253-F255 HydrophobicContact CG2-CE2 3.7Å; I253-F255 HydrophobicContact CG2-CG 4.46Å; I253-F255 HydrophobicContact CG2-CZ 3.6Å; F255-A305 CarbonylContact C-O 3.54Å; F255-A305 VanDerWaalsContact CA-O 3.31Å; F255-A305 WeakPolarHBondContact CA-O 3.4Å; F255-A305 HydrophobicContact CD1-CB 4.4Å; F255-A305 HydrophobicContact CE1-CB 4.4Å; F255-S310 WeakPolarHBondContact CE1-OG 2.91Å; F255-I321 HydrophobicContact CD2-CG2 3.89Å; F255-I321 HydrophobicContact CE2-CD1 4.22Å; F255-I321 HydrophobicContact CE2-CG2 3.8Å; F255-I322 PolarHBondContact N-O 3.07Å; F255-F324 WeakPolarHBondContact O-CA 3.34Å; F255-F324 WeakPolarHBondContact O-CB 3.34Å; F255-F324 PolarHBondContact O-N 2.73Å; F255-D325 PolarHBondContact O-N 2.68Å; F255-D325 VanDerWaalsContact O-N 3.11Å; F255-R336 HydrophobicContact CD1-CG 3.96Å; F255-R336 HydrophobicContact CD2-CB 3.72Å; F255-R336 HydrophobicContact CD2-CG 3.62Å; F255-R336 HydrophobicContact CE1-CG 3.98Å; F255-R336 HydrophobicContact CE2-CB 3.48Å; F255-R336 VanDerWaalsContact CE2-CB 3.48Å; F255-R336 HydrophobicContact CE2-CG 3.63Å; F255-R336 HydrophobicContact CG-CB 4.4Å; F255-R336 HydrophobicContact CG-CG 3.78Å; F255-R336 HydrophobicContact CZ-CB 4Å; F255-R336 HydrophobicContact CZ-CG 3.81Å |
| 256 | S | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -123.6 | 150.2 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | N261 A305 T306 D325 | S256-N261 WeakPolarHBondContact OG-CB 3.07Å; S256-N261 PolarHBondContact OG-ND2 2.99Å; S256-A305 PolarHBondContact N-O 2.67Å; S256-T306 WeakPolarHBondContact O-CA 3.37Å; S256-D325 VanDerWaalsContact CA-OD2 3.26Å; S256-D325 WeakPolarHBondContact CA-OD2 2.86Å; S256-D325 WeakPolarHBondContact CB-OD2 3.45Å; S256-D325 PolarHBondContact OG-OD2 3.28Å | ||
| 257 | S | 92.5 | Very high | 94.7 | Very high | 72 Ų | 72 | 31.7 Ų | 31.7 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -75 | -30.8 | -173.9 | 58 | 0 | 0 | 0 | 0 | 114 | D325 | S257-D325 PolarHBondContact N-OD2 3.08Å; S257-D325 PolarHBondContact OG-OD2 3.12Å |
| 258 | T | 94 | Very high | 95 | Very high | 66 Ų | 66 | 31 Ų | 31 | 41% | 0.405 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -120.2 | 149.2 | -173.1 | 71.1 | 0 | 0 | 0 | 0 | 113.1 | N260 N261 C262 | T258-N260 PolarHBondContact O-N 3.02Å; T258-N261 PolarHBondContact O-N 2.98Å; T258-N261 WeakPolarHBondContact OG1-CB 3.43Å; T258-N261 PolarHBondContact OG1-N 2.92Å; T258-C262 VanDerWaalsContact O-CB 3.3Å; T258-C262 WeakPolarHBondContact O-CB 3.14Å; T258-C262 PolarHBondContact O-N 3.45Å |
| 259 | C | 93.7 | Very high | 95.4 | Very high | 41 Ų | 41 | 27.5 Ų | 27.5 | 28% | 0.277 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.3 | -38.6 | 174.6 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | L263 H280 Q282 | C259-L263 PolarHBondContact O-N 2.88Å; C259-L263 VanDerWaalsContact O-N 3.08Å; C259-H280 HydrophobicContact CB-CB 4.03Å; C259-Q282 HydrophobicContact CB-CB 4.48Å; C259-Q282 HydrophobicContact CB-CG 4.16Å |
| 260 | N | 94.9 | Very high | 96 | Very high | 99 Ų | 99 | 28.2 Ų | 28.2 | 53% | 0.529 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63 | -52 | 178.1 | -175.3 | 4.3 | 0 | 0 | 0 | 110.8 | T258 C262 L263 R264 M400 | T258-N260 PolarHBondContact O-N 3.02Å; N260-C262 VanDerWaalsContact C-N 3.34Å; N260-C262 PolarHBondContact O-N 3.27Å; N260-L263 PolarHBondContact O-N 3.46Å; N260-R264 WeakPolarHBondContact O-CB 3.43Å; N260-R264 PolarHBondContact O-N 3.06Å; N260-M400 WeakPolarHBondContact OD1-CE 3.08Å |
| 261 | N | 95.9 | Very high | 96.4 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | -179.9 | -164 | 38.4 | 0 | 0 | 0 | 112.1 | S256 T258 L263 R264 S265 F324 D325 | S256-N261 WeakPolarHBondContact OG-CB 3.07Å; S256-N261 PolarHBondContact OG-ND2 2.99Å; T258-N261 PolarHBondContact O-N 2.98Å; T258-N261 WeakPolarHBondContact OG1-CB 3.43Å; T258-N261 PolarHBondContact OG1-N 2.92Å; N261-L263 PolarHBondContact O-N 2.95Å; N261-R264 PolarHBondContact O-N 2.7Å; N261-R264 VanDerWaalsContact OD1-CZ 3.26Å; N261-R264 PolarHBondContact OD1-NE 3.19Å; N261-R264 PolarHBondContact OD1-NH2 3.42Å; N261-S265 WeakPolarHBondContact O-CB 3.5Å; N261-S265 PolarHBondContact O-N 3.14Å; N261-S265 PolarHBondContact O-OG 2.64Å; N261-S265 VanDerWaalsContact O-OG 3.05Å; N261-F324 WeakPolarHBondContact ND2-CE1 3.49Å; N261-D325 PolarHBondContact ND2-OD2 3.14Å |
| 262 | C | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.1 | -48.9 | 172.6 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | T258 N260 A266 H280 I304 T306 | T258-C262 VanDerWaalsContact O-CB 3.3Å; T258-C262 WeakPolarHBondContact O-CB 3.14Å; T258-C262 PolarHBondContact O-N 3.45Å; N260-C262 VanDerWaalsContact C-N 3.34Å; N260-C262 PolarHBondContact O-N 3.27Å; C262-A266 WeakPolarHBondContact O-CB 3.43Å; C262-A266 PolarHBondContact O-N 3.47Å; C262-A266 VanDerWaalsContact O-N 3.15Å; C262-H280 HydrophobicContact CB-CB 4.33Å; C262-I304 HydrophobicContact CB-CG2 4.39Å; C262-I304 PolarHBondContact SG-O 3.12Å; C262-T306 HydrophobicContact CB-CG2 4.02Å |
| 263 | L | 97.1 | Very high | 96.6 | Very high | 37 Ų | 37 | 29.7 Ų | 29.7 | 19% | 0.194 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 176.7 | 178.9 | 58.8 | 0 | 0 | 0 | 111.8 | C259 N260 N261 A266 L267 P278 M400 L403 | C259-L263 PolarHBondContact O-N 2.88Å; C259-L263 VanDerWaalsContact O-N 3.08Å; N260-L263 PolarHBondContact O-N 3.46Å; N261-L263 PolarHBondContact O-N 2.95Å; L263-A266 PolarHBondContact O-N 2.97Å; L263-L267 HydrophobicContact CD1-CD1 4.18Å; L263-L267 HydrophobicContact CD1-CG 4.28Å; L263-L267 HydrophobicContact CG-CD1 4.18Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 3.46Å; L263-P278 HydrophobicContact CD1-CG 4.13Å; L263-M400 HydrophobicContact CB-CE 4.41Å; L263-M400 HydrophobicContact CD2-CE 3.96Å; L263-M400 HydrophobicContact CD2-CG 4.35Å; L263-M400 HydrophobicContact CG-CE 4.27Å; L263-M400 HydrophobicContact CG-CG 4.37Å; L263-M400 HydrophobicContact CG-SD 4.34Å; L263-L403 HydrophobicContact CD2-CD1 4.48Å |
| 264 | R | 97.9 | Very high | 96.7 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 9% | 0.087 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.5 | -51.7 | 178.8 | -176.1 | -156.1 | 62.7 | 82.4 | -2.8 | 111.5 | D237 N260 N261 A266 L267 L268 N393 M400 | D237-R264 IonicContact OD1-CZ 3.38Å; D237-R264 IonicContact OD1-NH1 2.77Å; D237-R264 PolarHBondContact OD1-NH1 3.39Å; D237-R264 IonicContact OD1-NH2 2.64Å; D237-R264 PolarHBondContact OD1-NH2 3.16Å; D237-R264 IonicContact OD2-CZ 3.53Å; D237-R264 IonicContact OD2-NH1 3.66Å; D237-R264 PolarHBondContact OD2-NH1 2.78Å; D237-R264 IonicContact OD2-NH2 2.99Å; D237-R264 PolarHBondContact OD2-NH2 3.08Å; N260-R264 WeakPolarHBondContact O-CB 3.43Å; N260-R264 PolarHBondContact O-N 3.06Å; N261-R264 PolarHBondContact O-N 2.7Å; N261-R264 VanDerWaalsContact OD1-CZ 3.26Å; N261-R264 PolarHBondContact OD1-NE 3.19Å; N261-R264 PolarHBondContact OD1-NH2 3.42Å; R264-A266 VanDerWaalsContact C-N 3.32Å; R264-A266 PolarHBondContact O-N 3.28Å; R264-L267 PolarHBondContact O-N 2.91Å; R264-L268 WeakPolarHBondContact O-CB 3.12Å; R264-L268 PolarHBondContact O-N 2.89Å; R264-N393 PolarHBondContact NH1-OD1 3Å; R264-M400 HydrophobicContact CB-SD 3.63Å; R264-M400 HydrophobicContact CG-SD 4.24Å |
| 265 | S | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | -179.9 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | N261 L267 L268 L269 | N261-S265 WeakPolarHBondContact O-CB 3.5Å; N261-S265 PolarHBondContact O-N 3.14Å; N261-S265 PolarHBondContact O-OG 2.64Å; N261-S265 VanDerWaalsContact O-OG 3.05Å; S265-L267 VanDerWaalsContact C-N 3.34Å; S265-L267 PolarHBondContact O-N 3.32Å; S265-L268 PolarHBondContact O-N 3.04Å; S265-L269 WeakPolarHBondContact O-CB 3.34Å; S265-L269 WeakPolarHBondContact O-CG 3.14Å; S265-L269 PolarHBondContact O-N 3.19Å |
| 266 | A | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C262 L263 R264 R270 A276 P278 I304 | C262-A266 WeakPolarHBondContact O-CB 3.43Å; C262-A266 PolarHBondContact O-N 3.47Å; C262-A266 VanDerWaalsContact O-N 3.15Å; L263-A266 PolarHBondContact O-N 2.97Å; R264-A266 VanDerWaalsContact C-N 3.32Å; R264-A266 PolarHBondContact O-N 3.28Å; A266-R270 VanDerWaalsContact O-CG 3.28Å; A266-R270 WeakPolarHBondContact O-CG 3.36Å; A266-R270 PolarHBondContact O-N 3.23Å; A266-R270 VanDerWaalsContact O-N 3.17Å; A266-A276 HydrophobicContact CB-CB 4.4Å; A266-P278 HydrophobicContact CB-CB 3.87Å; A266-P278 HydrophobicContact CB-CG 4.13Å; A266-I304 HydrophobicContact CB-CB 4.34Å; A266-I304 HydrophobicContact CB-CG1 3.92Å |
| 267 | L | 98.2 | Very high | 96.4 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 9% | 0.089 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.3 | -44.1 | 175.9 | -68.7 | 173.5 | 0 | 0 | 0 | 111.9 | L263 R264 S265 L269 R270 N271 A396 Q399 M400 | L263-L267 HydrophobicContact CD1-CD1 4.18Å; L263-L267 HydrophobicContact CD1-CG 4.28Å; L263-L267 HydrophobicContact CG-CD1 4.18Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 3.46Å; R264-L267 PolarHBondContact O-N 2.91Å; S265-L267 VanDerWaalsContact C-N 3.34Å; S265-L267 PolarHBondContact O-N 3.32Å; L267-L269 VanDerWaalsContact C-N 3.31Å; L267-L269 PolarHBondContact O-N 3.2Å; L267-R270 PolarHBondContact O-N 3.08Å; L267-N271 PolarHBondContact O-N 3.2Å; L267-N271 PolarHBondContact O-ND2 3.05Å; L267-A396 HydrophobicContact CB-CB 3.78Å; L267-Q399 HydrophobicContact CD1-CB 4.12Å; L267-M400 HydrophobicContact CD1-CG 3.58Å |
| 268 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.7 | -50.4 | 173.9 | 170 | 143.6 | 0 | 0 | 0 | 110.9 | D237 V241 R264 S265 R270 N271 L272 V389 A392 N393 A396 | D237-L268 HydrophobicContact CB-CD1 4.26Å; V241-L268 HydrophobicContact CG2-CD2 4.1Å; R264-L268 WeakPolarHBondContact O-CB 3.12Å; R264-L268 PolarHBondContact O-N 2.89Å; S265-L268 PolarHBondContact O-N 3.04Å; L268-R270 VanDerWaalsContact C-N 3.32Å; L268-R270 PolarHBondContact O-N 3.35Å; L268-N271 PolarHBondContact O-N 3.07Å; L268-L272 HydrophobicContact CD2-CD1 3.75Å; L268-L272 HydrophobicContact CG-CD1 4.19Å; L268-L272 WeakPolarHBondContact O-CG 3.28Å; L268-L272 PolarHBondContact O-N 3.12Å; L268-L272 VanDerWaalsContact O-N 3.12Å; L268-V389 HydrophobicContact CD1-CG1 4.25Å; L268-A392 HydrophobicContact CG-CB 4.23Å; L268-N393 HydrophobicContact CD1-CB 4Å; L268-N393 WeakPolarHBondContact CD1-ND2 3.31Å; L268-N393 VanDerWaalsContact CD1-OD1 3.32Å; L268-N393 WeakPolarHBondContact CD1-OD1 3.25Å; L268-A396 HydrophobicContact CB-CB 4.25Å |
| 269 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | -178.2 | -72.4 | 173.5 | 0 | 0 | 0 | 111.2 | L240 V241 L244 S265 L267 L272 G273 F274 A276 L302 I304 | L240-L269 HydrophobicContact CD2-CD1 4.35Å; L240-L269 HydrophobicContact CD2-CD2 4.5Å; V241-L269 HydrophobicContact CG2-CD2 4.04Å; L244-L269 HydrophobicContact CD1-CD1 3.98Å; L244-L269 HydrophobicContact CD1-CD2 3.55Å; L244-L269 HydrophobicContact CD1-CG 4.44Å; S265-L269 WeakPolarHBondContact O-CB 3.34Å; S265-L269 WeakPolarHBondContact O-CG 3.14Å; S265-L269 PolarHBondContact O-N 3.19Å; L267-L269 VanDerWaalsContact C-N 3.31Å; L267-L269 PolarHBondContact O-N 3.2Å; L269-L272 CarbonylContact O-C 3.55Å; L269-L272 PolarHBondContact O-N 3.23Å; L269-L272 VanDerWaalsContact O-N 3.14Å; L269-G273 PolarHBondContact O-N 3.34Å; L269-F274 HydrophobicContact CB-CB 4.01Å; L269-F274 HydrophobicContact CB-CD2 4.26Å; L269-F274 HydrophobicContact CB-CG 4.45Å; L269-F274 HydrophobicContact CD2-CD2 3.79Å; L269-F274 HydrophobicContact CD2-CE2 4.09Å; L269-F274 HydrophobicContact CD2-CG 4.31Å; L269-F274 WeakPolarHBondContact O-CB 3.32Å; L269-F274 WeakPolarHBondContact O-CD2 3.38Å; L269-F274 PolarHBondContact O-N 3.45Å; L269-A276 HydrophobicContact CB-CB 3.86Å; L269-A276 HydrophobicContact CD1-CB 4.2Å; L269-L302 HydrophobicContact CD1-CD1 4.34Å; L269-I304 HydrophobicContact CD1-CD1 3.58Å; L269-I304 HydrophobicContact CD1-CG1 4.27Å |
| 270 | R | 97.5 | Very high | 96.4 | Very high | 100 Ų | 100 | 27.3 Ų | 27.3 | 38% | 0.377 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 173.5 | -74.2 | 172 | -173.8 | 168.2 | 3.6 | 113.2 | A266 L267 L268 L272 G273 F274 A276 | A266-R270 VanDerWaalsContact O-CG 3.28Å; A266-R270 WeakPolarHBondContact O-CG 3.36Å; A266-R270 PolarHBondContact O-N 3.23Å; A266-R270 VanDerWaalsContact O-N 3.17Å; L267-R270 PolarHBondContact O-N 3.08Å; L268-R270 VanDerWaalsContact C-N 3.32Å; L268-R270 PolarHBondContact O-N 3.35Å; R270-L272 PolarHBondContact O-N 2.93Å; R270-G273 PolarHBondContact O-N 3.45Å; R270-F274 WeakPolarHBondContact CA-O 3.32Å; R270-A276 PolarHBondContact NE-O 3.05Å; R270-A276 PolarHBondContact NH2-O 3.42Å |
| 271 | N | 97.9 | Very high | 96 | Very high | 53 Ų | 53 | 24.5 Ų | 24.5 | 28% | 0.283 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.7 | -21.5 | 176.2 | -65.3 | -23.7 | 0 | 0 | 0 | 111.8 | L267 L268 A392 L395 A396 Q399 | L267-N271 PolarHBondContact O-N 3.2Å; L267-N271 PolarHBondContact O-ND2 3.05Å; L268-N271 PolarHBondContact O-N 3.07Å; N271-A392 HydrophobicContact CB-CB 4.04Å; N271-A392 PolarHBondContact ND2-O 3.34Å; N271-L395 WeakPolarHBondContact ND2-CB 3.33Å; N271-A396 PolarHBondContact ND2-N 3.46Å; N271-Q399 PolarHBondContact ND2-OE1 3Å; N271-Q399 PolarHBondContact OD1-NE2 3.35Å |
| 272 | L | 97.5 | Very high | 95.5 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -2.4 | 173.7 | -64.1 | 171.5 | 0 | 0 | 0 | 113.8 | V241 L268 L269 R270 F274 R388 V389 A392 | V241-L272 HydrophobicContact CB-CD1 4.41Å; V241-L272 HydrophobicContact CG1-CD1 4.12Å; V241-L272 HydrophobicContact CG2-CD1 3.39Å; L268-L272 HydrophobicContact CD2-CD1 3.75Å; L268-L272 HydrophobicContact CG-CD1 4.19Å; L268-L272 WeakPolarHBondContact O-CG 3.28Å; L268-L272 PolarHBondContact O-N 3.12Å; L268-L272 VanDerWaalsContact O-N 3.12Å; L269-L272 CarbonylContact O-C 3.55Å; L269-L272 PolarHBondContact O-N 3.23Å; L269-L272 VanDerWaalsContact O-N 3.14Å; R270-L272 PolarHBondContact O-N 2.93Å; L272-F274 HydrophobicContact CB-CD2 3.97Å; L272-F274 HydrophobicContact CB-CE2 4.11Å; L272-R388 HydrophobicContact CD2-CG 3.62Å; L272-R388 PolarHBondContact O-NH2 2.76Å; L272-V389 HydrophobicContact CD1-CG2 4.2Å; L272-A392 HydrophobicContact CD1-CB 4.15Å; L272-A392 HydrophobicContact CD2-CB 3.59Å; L272-A392 HydrophobicContact CG-CB 3.61Å |
| 273 | G | 95.3 | Very high | 95.1 | Very high | 68 Ų | 68 | 30.3 Ų | 30.3 | 70% | 0.701 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 100 | 0.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L269 R270 | L269-G273 PolarHBondContact O-N 3.34Å; R270-G273 PolarHBondContact O-N 3.45Å |
| 274 | F | 96.5 | Very high | 94.6 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 16% | 0.162 | 19% | 0.19 | C | C | . | . | trans | -79.4 | 144.3 | 177.1 | -63.5 | -88.7 | 0 | 0 | 0 | 112.5 | V241 L244 N245 L269 R270 L272 A276 L302 | V241-F274 HydrophobicContact CG1-CE2 4.09Å; V241-F274 HydrophobicContact CG1-CZ 4.35Å; L244-F274 HydrophobicContact CB-CD1 4.42Å; L244-F274 HydrophobicContact CB-CE1 3.62Å; L244-F274 HydrophobicContact CB-CZ 3.85Å; N245-F274 VanDerWaalsContact OD1-CZ 3.22Å; N245-F274 WeakPolarHBondContact OD1-CZ 3.23Å; L269-F274 HydrophobicContact CB-CB 4.01Å; L269-F274 HydrophobicContact CB-CD2 4.26Å; L269-F274 HydrophobicContact CB-CG 4.45Å; L269-F274 HydrophobicContact CD2-CD2 3.79Å; L269-F274 HydrophobicContact CD2-CE2 4.09Å; L269-F274 HydrophobicContact CD2-CG 4.31Å; L269-F274 WeakPolarHBondContact O-CB 3.32Å; L269-F274 WeakPolarHBondContact O-CD2 3.38Å; L269-F274 PolarHBondContact O-N 3.45Å; R270-F274 WeakPolarHBondContact CA-O 3.32Å; L272-F274 HydrophobicContact CB-CD2 3.97Å; L272-F274 HydrophobicContact CB-CE2 4.11Å; F274-A276 VanDerWaalsContact C-N 3.3Å; F274-A276 PolarHBondContact O-N 3.49Å; F274-L302 HydrophobicContact CB-CD1 3.77Å; F274-L302 HydrophobicContact CD1-CD1 3.76Å; F274-L302 HydrophobicContact CG-CD1 4.01Å | ||
| 275 | T | 93.7 | Very high | 93.7 | Very high | 60 Ų | 60 | 33.9 Ų | 33.9 | 37% | 0.368 | 19% | 0.194 | S | C | . | . | trans | -83.1 | 67.1 | 175 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | S301 L302 | T275-S301 PolarHBondContact O-N 3.04Å; T275-S301 PolarHBondContact OG1-OG 3.32Å; T275-L302 PolarHBondContact O-N 3.01Å | ||
| 276 | A | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 147.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A266 L269 R270 F274 L302 I304 | A266-A276 HydrophobicContact CB-CB 4.4Å; L269-A276 HydrophobicContact CB-CB 3.86Å; L269-A276 HydrophobicContact CD1-CB 4.2Å; R270-A276 PolarHBondContact NE-O 3.05Å; R270-A276 PolarHBondContact NH2-O 3.42Å; F274-A276 VanDerWaalsContact C-N 3.3Å; F274-A276 PolarHBondContact O-N 3.49Å; A276-L302 CarbonylContact C-O 3.59Å; A276-L302 VanDerWaalsContact CA-O 3.32Å; A276-L302 WeakPolarHBondContact CA-O 3.37Å; A276-L302 HydrophobicContact CB-CB 4.16Å; A276-I304 HydrophobicContact CB-CG1 4.28Å |
| 277 | V | 95.2 | Very high | 92.6 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.6 | 171.4 | 67 | 0 | 0 | 0 | 0 | 111.2 | A291 F295 R300 L302 L303 I304 | V277-A291 HydrophobicContact CG2-CB 3.46Å; V277-A291 VanDerWaalsContact CG2-CB 3.46Å; V277-F295 HydrophobicContact CG1-CB 4.49Å; V277-R300 HydrophobicContact CB-CB 4.36Å; V277-R300 HydrophobicContact CB-CG 4.27Å; V277-R300 HydrophobicContact CG1-CB 4.04Å; V277-R300 HydrophobicContact CG1-CG 4.42Å; V277-L302 PolarHBondContact N-O 3.31Å; V277-L303 HydrophobicContact CG1-CD1 3.77Å; V277-I304 PolarHBondContact O-N 3.09Å |
| 278 | P | 95.7 | Very high | 92 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 8% | 0.078 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 149.9 | 178 | 33.4 | -33.8 | 0 | 0 | 0 | 111.5 | L263 A266 M283 I304 | L263-P278 HydrophobicContact CD1-CG 4.13Å; A266-P278 HydrophobicContact CB-CB 3.87Å; A266-P278 HydrophobicContact CB-CG 4.13Å; P278-M283 WeakPolarHBondContact O-CE 3.47Å; P278-M283 VanDerWaalsContact O-SD 3.32Å; P278-I304 CarbonylContact C-O 3.41Å; P278-I304 WeakPolarHBondContact CA-O 3.43Å |
| 279 | L | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 103.2 | 172.7 | 179.2 | 70.5 | 0 | 0 | 0 | 109.3 | R288 L292 L303 I304 A305 T306 A309 L313 I315 | L279-R288 HydrophobicContact CD1-CB 3.94Å; L279-R288 HydrophobicContact CD1-CG 4.08Å; L279-L292 HydrophobicContact CD1-CG 4.39Å; L279-L292 HydrophobicContact CD2-CD2 3.93Å; L279-L292 HydrophobicContact CD2-CG 4.44Å; L279-L303 HydrophobicContact CB-CD1 3.78Å; L279-L303 HydrophobicContact CD2-CD1 4.24Å; L279-L303 HydrophobicContact CD2-CD2 4.15Å; L279-I304 PolarHBondContact N-O 2.91Å; L279-A305 HydrophobicContact CB-CB 4.28Å; L279-A305 HydrophobicContact CD2-CB 4.42Å; L279-A305 VanDerWaalsContact O-CA 3.3Å; L279-A305 WeakPolarHBondContact O-CA 2.94Å; L279-T306 PolarHBondContact O-N 2.89Å; L279-T306 VanDerWaalsContact O-N 3.16Å; L279-A309 HydrophobicContact CG-CB 4.17Å; L279-A309 VanDerWaalsContact O-CB 3.23Å; L279-A309 WeakPolarHBondContact O-CB 3.45Å; L279-L313 HydrophobicContact CD1-CD1 4.32Å; L279-L313 HydrophobicContact CD2-CD1 3.59Å; L279-L313 HydrophobicContact CG-CD1 4.41Å; L279-I315 HydrophobicContact CD2-CD1 4.43Å |
| 280 | H | 92.1 | Very high | 90.9 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | trans | -143 | 166.5 | -176.6 | 64.6 | 74.8 | 0 | 0 | 0 | 112.3 | C259 C262 Q282 M283 R288 T306 | C259-H280 HydrophobicContact CB-CB 4.03Å; C262-H280 HydrophobicContact CB-CB 4.33Å; H280-Q282 PolarHBondContact ND1-N 3.18Å; H280-Q282 PolarHBondContact O-N 3.4Å; H280-M283 VanDerWaalsContact CE1-CG 3.44Å; H280-M283 WeakPolarHBondContact CE1-CG 3.31Å; H280-M283 PolarHBondContact N-SD 2.79Å; H280-M283 VanDerWaalsContact N-SD 3.43Å; H280-M283 WeakPolarHBondContact O-CB 3.36Å; H280-M283 PolarHBondContact O-N 2.66Å; H280-R288 VanDerWaalsContact C-NH1 3.35Å; H280-R288 PolarHBondContact O-NH1 3.32Å; H280-T306 HydrophobicContact CB-CG2 4Å | ||
| 281 | G | 85.1 | Confident | 90.5 | Very high | 40 Ų | 40 | 42.6 Ų | 42.6 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -35.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M283 | G281-M283 PolarHBondContact O-N 2.97Š|
| 282 | Q | 87.2 | Confident | 90 | Very high | 125 Ų | 125 | 40.1 Ų | 40.1 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 7.5 | 177.9 | -63.8 | -67.5 | -33.9 | 0 | 0 | 114.8 | C259 H280 | C259-Q282 HydrophobicContact CB-CB 4.48Å; C259-Q282 HydrophobicContact CB-CG 4.16Å; H280-Q282 PolarHBondContact ND1-N 3.18Å; H280-Q282 PolarHBondContact O-N 3.4Å |
| 283 | M | 88.8 | Confident | 89.5 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -91.4 | 138.2 | 172.8 | -66.3 | 173.2 | 66.9 | 0 | 0 | 110 | P278 H280 G281 K287 R288 A291 | P278-M283 WeakPolarHBondContact O-CE 3.47Å; P278-M283 VanDerWaalsContact O-SD 3.32Å; H280-M283 VanDerWaalsContact CE1-CG 3.44Å; H280-M283 WeakPolarHBondContact CE1-CG 3.31Å; H280-M283 PolarHBondContact N-SD 2.79Å; H280-M283 VanDerWaalsContact N-SD 3.43Å; H280-M283 WeakPolarHBondContact O-CB 3.36Å; H280-M283 PolarHBondContact O-N 2.66Å; G281-M283 PolarHBondContact O-N 2.97Å; M283-K287 HydrophobicContact CE-CB 3.84Å; M283-R288 HydrophobicContact CB-CG 3.6Å; M283-R288 WeakPolarHBondContact O-CD 3.46Å; M283-A291 HydrophobicContact CE-CB 4.26Å |
| 284 | N | 86 | Confident | 89.3 | Confident | 96 Ų | 96 | 45.3 Ų | 45.3 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | trans | -64.8 | 157.4 | 169.6 | 71 | 25.1 | 0 | 0 | 0 | 111.1 | G286 K287 R288 | N284-G286 VanDerWaalsContact C-N 3.35Å; N284-G286 PolarHBondContact O-N 3.5Å; N284-K287 PolarHBondContact O-N 3.37Å; N284-K287 VanDerWaalsContact O-N 3.14Å; N284-K287 WeakPolarHBondContact OD1-CB 3.44Å; N284-K287 WeakPolarHBondContact OD1-CG 3.3Å; N284-K287 PolarHBondContact OD1-N 2.92Å; N284-R288 WeakPolarHBondContact O-CG 3.3Å; N284-R288 PolarHBondContact O-N 3.45Å | ||
| 285 | Q | 78.6 | Confident | 89 | Confident | 40 Ų | 40 | 43.9 Ų | 43.9 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | -172.3 | -172.1 | 62.1 | 9.6 | 0 | 0 | 112.8 | K287 R288 L289 | Q285-K287 VanDerWaalsContact C-N 3.31Å; Q285-K287 PolarHBondContact O-N 2.92Å; Q285-R288 WeakPolarHBondContact O-CB 3.35Å; Q285-R288 PolarHBondContact O-N 3Å; Q285-R288 VanDerWaalsContact O-N 3.13Å; Q285-L289 HydrophobicContact CG-CD1 4.3Å; Q285-L289 WeakPolarHBondContact O-CG 3.35Å; Q285-L289 PolarHBondContact O-N 3Å |
| 286 | G | 84 | Confident | 88.6 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 55% | 0.546 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -38.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N284 G290 | N284-G286 VanDerWaalsContact C-N 3.35Å; N284-G286 PolarHBondContact O-N 3.5Å; G286-G290 PolarHBondContact O-N 3.21Å |
| 287 | K | 88.5 | Confident | 88.1 | Confident | 134 Ų | 134 | 49.2 Ų | 49.2 | 58% | 0.583 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.4 | -36.3 | 174.9 | -74.8 | 176.5 | 179.8 | -175.5 | 0 | 112.7 | M283 N284 Q285 G290 A291 | M283-K287 HydrophobicContact CE-CB 3.84Å; N284-K287 PolarHBondContact O-N 3.37Å; N284-K287 VanDerWaalsContact O-N 3.14Å; N284-K287 WeakPolarHBondContact OD1-CB 3.44Å; N284-K287 WeakPolarHBondContact OD1-CG 3.3Å; N284-K287 PolarHBondContact OD1-N 2.92Å; Q285-K287 VanDerWaalsContact C-N 3.31Å; Q285-K287 PolarHBondContact O-N 2.92Å; K287-G290 PolarHBondContact O-N 2.86Å; K287-A291 WeakPolarHBondContact O-CB 3.41Å; K287-A291 PolarHBondContact O-N 2.86Å |
| 288 | R | 87.3 | Confident | 87.5 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -50.5 | 175.2 | -68.1 | 169.3 | 62.6 | 76.5 | 5.8 | 110.1 | E89 L279 H280 M283 N284 Q285 G290 A291 L292 A309 | E89-R288 IonicContact OE1-CZ 2.68Å; E89-R288 VanDerWaalsContact OE1-CZ 3.26Å; E89-R288 IonicContact OE1-NE 3.34Å; E89-R288 PolarHBondContact OE1-NE 3.42Å; E89-R288 IonicContact OE1-NH2 3.33Å; E89-R288 PolarHBondContact OE1-NH2 3.11Å; E89-R288 IonicContact OE2-NH2 4Å; L279-R288 HydrophobicContact CD1-CB 3.94Å; L279-R288 HydrophobicContact CD1-CG 4.08Å; H280-R288 VanDerWaalsContact C-NH1 3.35Å; H280-R288 PolarHBondContact O-NH1 3.32Å; M283-R288 HydrophobicContact CB-CG 3.6Å; M283-R288 WeakPolarHBondContact O-CD 3.46Å; N284-R288 WeakPolarHBondContact O-CG 3.3Å; N284-R288 PolarHBondContact O-N 3.45Å; Q285-R288 WeakPolarHBondContact O-CB 3.35Å; Q285-R288 PolarHBondContact O-N 3Å; Q285-R288 VanDerWaalsContact O-N 3.13Å; R288-G290 PolarHBondContact O-N 2.83Å; R288-A291 WeakPolarHBondContact O-CB 3.38Å; R288-A291 PolarHBondContact O-N 2.96Å; R288-L292 WeakPolarHBondContact O-CG 3.16Å; R288-L292 PolarHBondContact O-N 2.89Å; R288-A309 PolarHBondContact NH2-O 2.65Å |
| 289 | L | 84.5 | Confident | 86.9 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 39% | 0.387 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.8 | -67.1 | 176.6 | 0 | 0 | 0 | 112 | Q285 A291 L292 N293 | Q285-L289 HydrophobicContact CG-CD1 4.3Å; Q285-L289 WeakPolarHBondContact O-CG 3.35Å; Q285-L289 PolarHBondContact O-N 3Å; L289-A291 VanDerWaalsContact C-N 3.32Å; L289-A291 PolarHBondContact O-N 2.96Å; L289-L292 PolarHBondContact O-N 3.08Å; L289-N293 WeakPolarHBondContact O-CB 3.45Å; L289-N293 VanDerWaalsContact O-CG 3.25Å; L289-N293 PolarHBondContact O-N 2.98Å |
| 290 | G | 88.5 | Confident | 86.6 | Confident | 30 Ų | 30 | 63.8 Ų | 63.8 | 31% | 0.309 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G286 K287 R288 K294 | G286-G290 PolarHBondContact O-N 3.21Å; K287-G290 PolarHBondContact O-N 2.86Å; R288-G290 PolarHBondContact O-N 2.83Å; G290-K294 WeakPolarHBondContact O-CG 3.41Å; G290-K294 PolarHBondContact O-N 3.12Å; G290-K294 VanDerWaalsContact O-N 3.16Å |
| 291 | A | 89.5 | Confident | 86.5 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V277 M283 K287 R288 L289 K294 F295 | V277-A291 HydrophobicContact CG2-CB 3.46Å; V277-A291 VanDerWaalsContact CG2-CB 3.46Å; M283-A291 HydrophobicContact CE-CB 4.26Å; K287-A291 WeakPolarHBondContact O-CB 3.41Å; K287-A291 PolarHBondContact O-N 2.86Å; R288-A291 WeakPolarHBondContact O-CB 3.38Å; R288-A291 PolarHBondContact O-N 2.96Å; L289-A291 VanDerWaalsContact C-N 3.32Å; L289-A291 PolarHBondContact O-N 2.96Å; A291-K294 PolarHBondContact O-N 2.99Å; A291-F295 WeakPolarHBondContact O-CB 3.35Å; A291-F295 PolarHBondContact O-N 2.91Å |
| 292 | L | 86.9 | Confident | 87 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 177 | -70.8 | 163.9 | 0 | 0 | 0 | 112.3 | L279 R288 L289 K294 F295 R296 L313 I315 | L279-L292 HydrophobicContact CD1-CG 4.39Å; L279-L292 HydrophobicContact CD2-CD2 3.93Å; L279-L292 HydrophobicContact CD2-CG 4.44Å; R288-L292 WeakPolarHBondContact O-CG 3.16Å; R288-L292 PolarHBondContact O-N 2.89Å; L289-L292 PolarHBondContact O-N 3.08Å; L292-K294 VanDerWaalsContact C-N 3.35Å; L292-K294 PolarHBondContact O-N 3.38Å; L292-F295 WeakPolarHBondContact O-CB 3.41Å; L292-F295 PolarHBondContact O-N 3Å; L292-F295 VanDerWaalsContact O-N 3.15Å; L292-R296 WeakPolarHBondContact O-CB 3.17Å; L292-R296 VanDerWaalsContact O-CG 3.32Å; L292-R296 WeakPolarHBondContact O-CG 3.27Å; L292-R296 PolarHBondContact O-N 3.18Å; L292-L313 HydrophobicContact CD1-CD1 3.71Å; L292-L313 HydrophobicContact CD1-CD2 3.51Å; L292-L313 HydrophobicContact CD1-CG 4.15Å; L292-L313 HydrophobicContact CD2-CD1 4.04Å; L292-L313 HydrophobicContact CG-CD1 4.36Å; L292-I315 HydrophobicContact CD2-CG1 4.03Å |
| 293 | N | 87.6 | Confident | 87.4 | Confident | 89 Ų | 89 | 57.4 Ų | 57.4 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 178.9 | -71.8 | -11.8 | 0 | 0 | 0 | 111.5 | L289 F295 R296 A297 | L289-N293 WeakPolarHBondContact O-CB 3.45Å; L289-N293 VanDerWaalsContact O-CG 3.25Å; L289-N293 PolarHBondContact O-N 2.98Å; N293-F295 VanDerWaalsContact C-N 3.29Å; N293-F295 PolarHBondContact O-N 3.22Å; N293-R296 PolarHBondContact O-N 3.22Å; N293-A297 VanDerWaalsContact O-CB 3.26Å; N293-A297 WeakPolarHBondContact O-CB 3.13Å; N293-A297 PolarHBondContact O-N 2.71Å |
| 294 | K | 90.2 | Very high | 87.8 | Confident | 99 Ų | 99 | 56.2 Ų | 56.2 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 174 | -71.8 | 178.9 | -178.5 | -171.3 | 0 | 112.5 | G290 A291 L292 K298 D299 R300 | G290-K294 WeakPolarHBondContact O-CG 3.41Å; G290-K294 PolarHBondContact O-N 3.12Å; G290-K294 VanDerWaalsContact O-N 3.16Å; A291-K294 PolarHBondContact O-N 2.99Å; L292-K294 VanDerWaalsContact C-N 3.35Å; L292-K294 PolarHBondContact O-N 3.38Å; K294-K298 PolarHBondContact O-N 3.4Å; K294-D299 PolarHBondContact O-N 3.18Å; K294-D299 VanDerWaalsContact O-N 3.08Å; K294-R300 HydrophobicContact CB-CB 4.46Å; K294-R300 HydrophobicContact CB-CG 3.93Å; K294-R300 PolarHBondContact O-N 3.33Å |
| 295 | F | 90.5 | Very high | 88.2 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 176.9 | -171.4 | -111.2 | 0 | 0 | 0 | 112.2 | I253 V277 A291 L292 N293 A297 K298 R300 S301 L303 I315 P316 V318 | I253-F295 HydrophobicContact CG1-CE1 4.25Å; I253-F295 HydrophobicContact CG1-CZ 3.99Å; V277-F295 HydrophobicContact CG1-CB 4.49Å; A291-F295 WeakPolarHBondContact O-CB 3.35Å; A291-F295 PolarHBondContact O-N 2.91Å; L292-F295 WeakPolarHBondContact O-CB 3.41Å; L292-F295 PolarHBondContact O-N 3Å; L292-F295 VanDerWaalsContact O-N 3.15Å; N293-F295 VanDerWaalsContact C-N 3.29Å; N293-F295 PolarHBondContact O-N 3.22Å; F295-A297 PolarHBondContact O-N 3.17Å; F295-K298 PolarHBondContact O-N 3.41Å; F295-R300 WeakPolarHBondContact CA-O 3.4Å; F295-R300 WeakPolarHBondContact CD2-O 3.18Å; F295-S301 WeakPolarHBondContact CE2-O 3.2Å; F295-L303 HydrophobicContact CD1-CB 4.2Å; F295-L303 HydrophobicContact CD1-CD2 4.03Å; F295-L303 HydrophobicContact CD2-CB 3.63Å; F295-L303 HydrophobicContact CE1-CB 4.05Å; F295-L303 HydrophobicContact CE1-CD2 4.08Å; F295-L303 HydrophobicContact CE2-CB 3.47Å; F295-L303 VanDerWaalsContact CE2-CB 3.47Å; F295-L303 HydrophobicContact CG-CB 3.99Å; F295-L303 HydrophobicContact CG-CD2 4.42Å; F295-L303 HydrophobicContact CZ-CB 3.66Å; F295-L303 HydrophobicContact CZ-CD2 4.5Å; F295-I315 HydrophobicContact CD1-CG2 4.12Å; F295-I315 HydrophobicContact CE1-CG2 3.75Å; F295-P316 HydrophobicContact CD1-CG 3.66Å; F295-P316 HydrophobicContact CE1-CG 3.74Å; F295-V318 HydrophobicContact CE1-CG1 3.86Å; F295-V318 HydrophobicContact CZ-CG1 3.55Å |
| 296 | R | 85.9 | Confident | 88.9 | Confident | 96 Ų | 96 | 50.1 Ų | 50.1 | 36% | 0.362 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 176 | -73.4 | 173.2 | -169.4 | 170.8 | -1.5 | 112.8 | L292 N293 K298 D314 P316 | L292-R296 WeakPolarHBondContact O-CB 3.17Å; L292-R296 VanDerWaalsContact O-CG 3.32Å; L292-R296 WeakPolarHBondContact O-CG 3.27Å; L292-R296 PolarHBondContact O-N 3.18Å; N293-R296 PolarHBondContact O-N 3.22Å; R296-K298 PolarHBondContact O-N 2.85Å; R296-K298 VanDerWaalsContact O-N 3.13Å; R296-D314 PolarHBondContact NE-O 3.22Å; R296-D314 VanDerWaalsContact NE-O 3.11Å; R296-D314 PolarHBondContact NH2-O 3.41Å; R296-P316 HydrophobicContact CG-CG 3.96Å |
| 297 | A | 85.3 | Confident | 88.8 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 62% | 0.62 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -2.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | N293 F295 D299 | N293-A297 VanDerWaalsContact O-CB 3.26Å; N293-A297 WeakPolarHBondContact O-CB 3.13Å; N293-A297 PolarHBondContact O-N 2.71Å; F295-A297 PolarHBondContact O-N 3.17Å; A297-D299 PolarHBondContact O-N 3.29Å; A297-D299 VanDerWaalsContact O-N 3.09Å |
| 298 | K | 82.6 | Confident | 88.1 | Confident | 180 Ų | 180 | 46.8 Ų | 46.8 | 78% | 0.783 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 12.2 | -171.5 | -56.3 | -177.4 | 177.8 | -177.4 | 0 | 114.6 | K294 F295 R296 R300 | K294-K298 PolarHBondContact O-N 3.4Å; F295-K298 PolarHBondContact O-N 3.41Å; R296-K298 PolarHBondContact O-N 2.85Å; R296-K298 VanDerWaalsContact O-N 3.13Å; K298-R300 PolarHBondContact O-N 3.43Å |
| 299 | D | 82.4 | Confident | 87.1 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -62.5 | -28.1 | 168.6 | 171.5 | 46 | 0 | 0 | 0 | 111 | K294 A297 | K294-D299 PolarHBondContact O-N 3.18Å; K294-D299 VanDerWaalsContact O-N 3.08Å; A297-D299 PolarHBondContact O-N 3.29Å; A297-D299 VanDerWaalsContact O-N 3.09Å |
| 300 | R | 86.6 | Confident | 86 | Confident | 66 Ų | 66 | 43.5 Ų | 43.5 | 25% | 0.249 | 23% | 0.233 | C | C | . | . | trans | -125 | 120 | 169.7 | -61.5 | -66.6 | 179.2 | -89 | -2.9 | 109 | V277 K294 F295 K298 | V277-R300 HydrophobicContact CB-CB 4.36Å; V277-R300 HydrophobicContact CB-CG 4.27Å; V277-R300 HydrophobicContact CG1-CB 4.04Å; V277-R300 HydrophobicContact CG1-CG 4.42Å; K294-R300 HydrophobicContact CB-CB 4.46Å; K294-R300 HydrophobicContact CB-CG 3.93Å; K294-R300 PolarHBondContact O-N 3.33Å; F295-R300 WeakPolarHBondContact CA-O 3.4Å; F295-R300 WeakPolarHBondContact CD2-O 3.18Å; K298-R300 PolarHBondContact O-N 3.43Å | ||
| 301 | S | 89.8 | Confident | 85 | Confident | 39 Ų | 39 | 44.4 Ų | 44.4 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -84.4 | -17.2 | 179.7 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | C252 T275 F295 | C252-S301 PolarHBondContact N-O 3.42Å; T275-S301 PolarHBondContact O-N 3.04Å; T275-S301 PolarHBondContact OG1-OG 3.32Å; F295-S301 WeakPolarHBondContact CE2-O 3.2Å |
| 302 | L | 95.7 | Very high | 83.5 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.4 | -178 | -53.6 | -176.2 | 0 | 0 | 0 | 111.5 | L244 C252 L269 F274 T275 A276 V277 | L244-L302 HydrophobicContact CD1-CD1 3.9Å; L244-L302 HydrophobicContact CD2-CD1 4.17Å; L244-L302 HydrophobicContact CD2-CD2 3.76Å; C252-L302 HydrophobicContact CB-CD2 3.58Å; C252-L302 WeakPolarHBondContact O-CA 3.45Å; L269-L302 HydrophobicContact CD1-CD1 4.34Å; F274-L302 HydrophobicContact CB-CD1 3.77Å; F274-L302 HydrophobicContact CD1-CD1 3.76Å; F274-L302 HydrophobicContact CG-CD1 4.01Å; T275-L302 PolarHBondContact O-N 3.01Å; A276-L302 CarbonylContact C-O 3.59Å; A276-L302 VanDerWaalsContact CA-O 3.32Å; A276-L302 WeakPolarHBondContact CA-O 3.37Å; A276-L302 HydrophobicContact CB-CB 4.16Å; V277-L302 PolarHBondContact N-O 3.31Å |
| 303 | L | 95.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.7 | 171.8 | -177.8 | 66.5 | 0 | 0 | 0 | 109.2 | C252 I253 V254 V277 L279 F295 A305 I315 | C252-L303 PolarHBondContact O-N 3.15Å; I253-L303 CarbonylContact C-O 3.52Å; I253-L303 VanDerWaalsContact CA-O 3.3Å; I253-L303 WeakPolarHBondContact CA-O 3.43Å; I253-L303 HydrophobicContact CG1-CB 4.28Å; I253-L303 HydrophobicContact CG1-CD2 4.3Å; V254-L303 PolarHBondContact N-O 2.88Å; V277-L303 HydrophobicContact CG1-CD1 3.77Å; L279-L303 HydrophobicContact CB-CD1 3.78Å; L279-L303 HydrophobicContact CD2-CD1 4.24Å; L279-L303 HydrophobicContact CD2-CD2 4.15Å; F295-L303 HydrophobicContact CD1-CB 4.2Å; F295-L303 HydrophobicContact CD1-CD2 4.03Å; F295-L303 HydrophobicContact CD2-CB 3.63Å; F295-L303 HydrophobicContact CE1-CB 4.05Å; F295-L303 HydrophobicContact CE1-CD2 4.08Å; F295-L303 HydrophobicContact CE2-CB 3.47Å; F295-L303 VanDerWaalsContact CE2-CB 3.47Å; F295-L303 HydrophobicContact CG-CB 3.99Å; F295-L303 HydrophobicContact CG-CD2 4.42Å; F295-L303 HydrophobicContact CZ-CB 3.66Å; F295-L303 HydrophobicContact CZ-CD2 4.5Å; L303-A305 HydrophobicContact CG-CB 4.38Å; L303-I315 HydrophobicContact CD2-CD1 4.05Å; L303-I315 HydrophobicContact CD2-CG2 3.81Å |
| 304 | I | 97.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.5 | 172.2 | -42.8 | -55.3 | 0 | 0 | 0 | 107.1 | V254 C262 A266 L269 A276 V277 P278 L279 | V254-I304 HydrophobicContact CB-CD1 3.58Å; V254-I304 HydrophobicContact CG1-CD1 4.36Å; V254-I304 HydrophobicContact CG2-CD1 3.63Å; V254-I304 CarbonylContact O-C 3.55Å; V254-I304 WeakPolarHBondContact O-CA 3.3Å; C262-I304 HydrophobicContact CB-CG2 4.39Å; C262-I304 PolarHBondContact SG-O 3.12Å; A266-I304 HydrophobicContact CB-CB 4.34Å; A266-I304 HydrophobicContact CB-CG1 3.92Å; L269-I304 HydrophobicContact CD1-CD1 3.58Å; L269-I304 HydrophobicContact CD1-CG1 4.27Å; A276-I304 HydrophobicContact CB-CG1 4.28Å; V277-I304 PolarHBondContact O-N 3.09Å; P278-I304 CarbonylContact C-O 3.41Å; P278-I304 WeakPolarHBondContact CA-O 3.43Å; L279-I304 PolarHBondContact N-O 2.91Å |
| 305 | A | 95.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I253 V254 F255 S256 L279 L303 | I253-A305 HydrophobicContact CG2-CB 4.38Å; V254-A305 PolarHBondContact O-N 2.77Å; F255-A305 CarbonylContact C-O 3.54Å; F255-A305 VanDerWaalsContact CA-O 3.31Å; F255-A305 WeakPolarHBondContact CA-O 3.4Å; F255-A305 HydrophobicContact CD1-CB 4.4Å; F255-A305 HydrophobicContact CE1-CB 4.4Å; S256-A305 PolarHBondContact N-O 2.67Å; L279-A305 HydrophobicContact CB-CB 4.28Å; L279-A305 HydrophobicContact CD2-CB 4.42Å; L279-A305 VanDerWaalsContact O-CA 3.3Å; L279-A305 WeakPolarHBondContact O-CA 2.94Å; L303-A305 HydrophobicContact CG-CB 4.38Å |
| 306 | T | 92.6 | Very high | 79.6 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | trans | -91.9 | 157 | 161.5 | 68 | 0 | 0 | 0 | 0 | 110.4 | S256 C262 L279 H280 V308 A309 S310 | S256-T306 WeakPolarHBondContact O-CA 3.37Å; C262-T306 HydrophobicContact CB-CG2 4.02Å; L279-T306 PolarHBondContact O-N 2.89Å; L279-T306 VanDerWaalsContact O-N 3.16Å; H280-T306 HydrophobicContact CB-CG2 4Å; T306-V308 PolarHBondContact O-N 2.69Å; T306-A309 PolarHBondContact O-N 3.24Å; T306-A309 VanDerWaalsContact O-N 3.14Å; T306-A309 VanDerWaalsContact OG1-CB 3.22Å; T306-A309 WeakPolarHBondContact OG1-CB 3.34Å; T306-A309 PolarHBondContact OG1-N 3.43Å; T306-S310 WeakPolarHBondContact O-CB 3.34Å; T306-S310 PolarHBondContact O-N 3.37Å; T306-S310 PolarHBondContact O-OG 2.93Å | ||
| 307 | D | 83.3 | Confident | 79.2 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.9 | -53.2 | 177.9 | -66.7 | -68.3 | 0 | 0 | 0 | 111.8 | A309 S310 R311 R336 | D307-A309 PolarHBondContact O-N 2.98Å; D307-A309 VanDerWaalsContact O-N 3.08Å; D307-S310 WeakPolarHBondContact CA-OG 3.22Å; D307-S310 PolarHBondContact O-N 3.33Å; D307-S310 PolarHBondContact O-OG 3.35Å; D307-R311 WeakPolarHBondContact O-CG 3.49Å; D307-R311 PolarHBondContact O-N 3.48Å; D307-R336 IonicContact OD1-CZ 2.79Å; D307-R336 IonicContact OD1-NE 3.09Å; D307-R336 PolarHBondContact OD1-NE 2.91Å; D307-R336 IonicContact OD1-NH2 3.12Å; D307-R336 PolarHBondContact OD1-NH2 2.75Å; D307-R336 IonicContact OD2-CZ 3.3Å; D307-R336 IonicContact OD2-NE 3.44Å; D307-R336 IonicContact OD2-NH2 3.51Å; D307-R336 PolarHBondContact OD2-NH2 3.49Å |
| 308 | V | 72 | Confident | 79.4 | Confident | 92 Ų | 92 | 38.6 Ų | 38.6 | 56% | 0.558 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -53.2 | -37.9 | 179.2 | 179 | 0 | 0 | 0 | 0 | 111.1 | T306 | T306-V308 PolarHBondContact O-N 2.69Å |
| 309 | A | 66.6 | Low | 79.8 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -82.2 | -22.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L279 R288 T306 D307 L313 | L279-A309 HydrophobicContact CG-CB 4.17Å; L279-A309 VanDerWaalsContact O-CB 3.23Å; L279-A309 WeakPolarHBondContact O-CB 3.45Å; R288-A309 PolarHBondContact NH2-O 2.65Å; T306-A309 PolarHBondContact O-N 3.24Å; T306-A309 VanDerWaalsContact O-N 3.14Å; T306-A309 VanDerWaalsContact OG1-CB 3.22Å; T306-A309 WeakPolarHBondContact OG1-CB 3.34Å; T306-A309 PolarHBondContact OG1-N 3.43Å; D307-A309 PolarHBondContact O-N 2.98Å; D307-A309 VanDerWaalsContact O-N 3.08Å; A309-L313 WeakPolarHBondContact O-CD1 3.46Å |
| 310 | S | 61.9 | Low | 80.4 | Confident | 10 Ų | 10 | 29.4 Ų | 29.4 | 7% | 0.07 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -96.6 | -19.2 | -179.1 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | F255 T306 D307 L313 | F255-S310 WeakPolarHBondContact CE1-OG 2.91Å; T306-S310 WeakPolarHBondContact O-CB 3.34Å; T306-S310 PolarHBondContact O-N 3.37Å; T306-S310 PolarHBondContact O-OG 2.93Å; D307-S310 WeakPolarHBondContact CA-OG 3.22Å; D307-S310 PolarHBondContact O-N 3.33Å; D307-S310 PolarHBondContact O-OG 3.35Å; S310-L313 PolarHBondContact O-N 3.29Å |
| 311 | R | 68.5 | Low | 80.9 | Confident | 49 Ų | 49 | 26.2 Ų | 26.2 | 19% | 0.185 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 135.6 | 175.1 | -76.8 | 170.1 | -173.5 | 179.6 | 3.8 | 110.8 | T87 D307 L313 D332 | T87-R311 HydrophobicContact CG2-CB 4.37Å; D307-R311 WeakPolarHBondContact O-CG 3.49Å; D307-R311 PolarHBondContact O-N 3.48Å; R311-L313 VanDerWaalsContact C-N 3.25Å; R311-L313 PolarHBondContact O-N 2.82Å; R311-D332 IonicContact CZ-OD1 3.26Å; R311-D332 IonicContact NE-OD1 3.37Å; R311-D332 IonicContact NH2-OD1 2.98Å; R311-D332 PolarHBondContact NH2-OD1 3.27Å; R311-D332 IonicContact NH2-OD2 2.78Å; R311-D332 PolarHBondContact NH2-OD2 3.29Å |
| 312 | G | 57.1 | Low | 81.3 | Confident | 5 Ų | 5 | 24.4 Ų | 24.4 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 23.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E89 L90 Q93 | E89-G312 CarbonylContact C-O 3.58Å; E89-G312 VanDerWaalsContact CB-O 3.27Å; E89-G312 WeakPolarHBondContact CB-O 3.47Å; L90-G312 WeakPolarHBondContact CA-O 3.4Å; L90-G312 PolarHBondContact N-O 3.43Å; L90-G312 VanDerWaalsContact N-O 3.07Å; Q93-G312 VanDerWaalsContact CD-C 3.4Å; Q93-G312 VanDerWaalsContact CG-O 3.25Å; Q93-G312 WeakPolarHBondContact CG-O 3.2Å; Q93-G312 PolarHBondContact OE1-O 2.99Å |
| 313 | L | 61.7 | Low | 81.4 | Confident | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | trans | -112.2 | 143.4 | 172.4 | -71.9 | 174.2 | 0 | 0 | 0 | 110.5 | E89 L279 L292 A309 S310 R311 I315 | E89-L313 HydrophobicContact CB-CD2 3.63Å; E89-L313 HydrophobicContact CB-CG 3.92Å; E89-L313 HydrophobicContact CG-CD1 4.49Å; E89-L313 HydrophobicContact CG-CD2 3.56Å; E89-L313 HydrophobicContact CG-CG 3.95Å; L279-L313 HydrophobicContact CD1-CD1 4.32Å; L279-L313 HydrophobicContact CD2-CD1 3.59Å; L279-L313 HydrophobicContact CG-CD1 4.41Å; L292-L313 HydrophobicContact CD1-CD1 3.71Å; L292-L313 HydrophobicContact CD1-CD2 3.51Å; L292-L313 HydrophobicContact CD1-CG 4.15Å; L292-L313 HydrophobicContact CD2-CD1 4.04Å; L292-L313 HydrophobicContact CG-CD1 4.36Å; A309-L313 WeakPolarHBondContact O-CD1 3.46Å; S310-L313 PolarHBondContact O-N 3.29Å; R311-L313 VanDerWaalsContact C-N 3.25Å; R311-L313 PolarHBondContact O-N 2.82Å; L313-I315 HydrophobicContact CB-CD1 4.14Å; L313-I315 HydrophobicContact CB-CG1 3.65Å; L313-I315 PolarHBondContact O-N 3.32Å | ||
| 314 | D | 65.2 | Low | 81.5 | Confident | 94 Ų | 94 | 24.2 Ų | 24.2 | 50% | 0.503 | 13% | 0.13 | S | C | . | . | trans | -82.8 | 78.1 | 171 | -166.5 | 24.6 | 0 | 0 | 0 | 105.6 | R296 | R296-D314 PolarHBondContact NE-O 3.22Å; R296-D314 VanDerWaalsContact NE-O 3.11Å; R296-D314 PolarHBondContact NH2-O 3.41Å | ||
| 315 | I | 73.1 | Confident | 81.5 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.015 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -83.8 | 123.6 | 173.9 | -55 | 178.9 | 0 | 0 | 0 | 105.4 | I253 L279 L292 F295 L303 L313 | I253-I315 HydrophobicContact CD1-CG2 3.52Å; I253-I315 HydrophobicContact CG1-CG2 4.29Å; L279-I315 HydrophobicContact CD2-CD1 4.43Å; L292-I315 HydrophobicContact CD2-CG1 4.03Å; F295-I315 HydrophobicContact CD1-CG2 4.12Å; F295-I315 HydrophobicContact CE1-CG2 3.75Å; L303-I315 HydrophobicContact CD2-CD1 4.05Å; L303-I315 HydrophobicContact CD2-CG2 3.81Å; L313-I315 HydrophobicContact CB-CD1 4.14Å; L313-I315 HydrophobicContact CB-CG1 3.65Å; L313-I315 PolarHBondContact O-N 3.32Å |
| 316 | P | 72.2 | Confident | 81.5 | Confident | 41 Ų | 41 | 25.4 Ų | 25.4 | 27% | 0.266 | 14% | 0.137 | S | C | . | . | P | Polyproline II helix | trans | -56.8 | 151.1 | -179.7 | 26.4 | -36 | 0 | 0 | 0 | 110.1 | F295 R296 V318 | F295-P316 HydrophobicContact CD1-CG 3.66Å; F295-P316 HydrophobicContact CE1-CG 3.74Å; R296-P316 HydrophobicContact CG-CG 3.96Å; P316-V318 PolarHBondContact O-N 3.45Å |
| 317 | H | 79.3 | Confident | 81.3 | Confident | 92 Ų | 92 | 25.1 Ų | 25.1 | 43% | 0.426 | 14% | 0.135 | S | C | . | . | P | Polyproline II helix | trans | -59 | 137.2 | 173.7 | -70.2 | -51.2 | 0 | 0 | 0 | 111 | R339 R342 | H317-R339 WeakPolarHBondContact CA-O 3.17Å; H317-R339 PolarHBondContact ND1-O 3.38Å; H317-R342 WeakPolarHBondContact CE1-CD 3.35Å; H317-R342 PolarHBondContact CE1-NE 2.88Å; H317-R342 VanDerWaalsContact CE1-NE 3.31Å |
| 318 | V | 89.4 | Confident | 81.4 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | trans | -119.3 | 158.7 | -179.6 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | S251 I253 F295 P316 L320 I321 R339 T340 | S251-V318 VanDerWaalsContact OG-CA 3.27Å; S251-V318 WeakPolarHBondContact OG-CA 3.33Å; I253-V318 HydrophobicContact CB-CG2 4.5Å; I253-V318 HydrophobicContact CD1-CG1 4Å; I253-V318 HydrophobicContact CD1-CG2 3.8Å; I253-V318 HydrophobicContact CG1-CB 4.48Å; I253-V318 HydrophobicContact CG1-CG1 3.84Å; I253-V318 HydrophobicContact CG1-CG2 3.91Å; F295-V318 HydrophobicContact CE1-CG1 3.86Å; F295-V318 HydrophobicContact CZ-CG1 3.55Å; P316-V318 PolarHBondContact O-N 3.45Å; V318-L320 WeakPolarHBondContact CG2-O 3.5Å; V318-I321 HydrophobicContact CG2-CD1 3.31Å; V318-I321 HydrophobicContact CG2-CG1 4.13Å; V318-R339 PolarHBondContact N-O 3.25Å; V318-T340 WeakPolarHBondContact O-CB 3.42Å; V318-T340 PolarHBondContact O-OG1 3.43Å | ||
| 319 | D | 91.4 | Very high | 81.8 | Confident | 68 Ų | 68 | 29.9 Ų | 29.9 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -78 | -29.6 | 179.5 | -50.4 | -63.4 | 0 | 0 | 0 | 111.7 | K250 S251 I348 | K250-D319 HydrophobicContact CB-CB 3.88Å; K250-D319 HydrophobicContact CD-CB 4.2Å; K250-D319 HydrophobicContact CG-CB 4.05Å; S251-D319 PolarHBondContact N-OD2 3.35Å; S251-D319 PolarHBondContact O-N 2.92Å; S251-D319 VanDerWaalsContact O-N 3.14Å; S251-D319 PolarHBondContact OG-N 3.05Å; S251-D319 VanDerWaalsContact OG-N 3.12Å; S251-D319 PolarHBondContact OG-OD2 3.08Å; D319-I348 PolarHBondContact O-N 3.05Å; D319-I348 VanDerWaalsContact O-N 3.13Å |
| 320 | L | 94.9 | Very high | 82.6 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 130.4 | -174.3 | 178.4 | 61.6 | 0 | 0 | 0 | 112.6 | M247 S251 C252 I253 V318 I322 I348 I350 | M247-L320 HydrophobicContact CB-CD2 3.78Å; M247-L320 HydrophobicContact CE-CB 4.46Å; M247-L320 HydrophobicContact CE-CD1 3.91Å; M247-L320 HydrophobicContact CE-CD2 4.07Å; M247-L320 HydrophobicContact CE-CG 4.37Å; M247-L320 HydrophobicContact CG-CD2 3.94Å; S251-L320 PolarHBondContact O-N 3.3Å; S251-L320 VanDerWaalsContact O-N 3.08Å; C252-L320 WeakPolarHBondContact CA-O 3.44Å; C252-L320 HydrophobicContact CB-CB 4.04Å; C252-L320 HydrophobicContact CB-CD2 4.29Å; C252-L320 HydrophobicContact CB-CG 4.33Å; C252-L320 PolarHBondContact SG-O 2.94Å; I253-L320 PolarHBondContact N-O 3.01Å; I253-L320 VanDerWaalsContact N-O 3.08Å; V318-L320 WeakPolarHBondContact CG2-O 3.5Å; L320-I322 HydrophobicContact CD1-CG1 4.26Å; L320-I322 HydrophobicContact CD2-CD1 3.96Å; L320-I322 HydrophobicContact CD2-CG1 4.03Å; L320-I322 HydrophobicContact CG-CD1 4.44Å; L320-I322 HydrophobicContact CG-CG1 3.96Å; L320-I348 CarbonylContact C-O 3.46Å; L320-I348 WeakPolarHBondContact CA-O 3.26Å; L320-I348 HydrophobicContact CD1-CB 4.07Å; L320-I348 HydrophobicContact CD1-CG2 3.79Å; L320-I350 HydrophobicContact CD1-CD1 4.13Å; L320-I350 HydrophobicContact CD1-CG1 4.29Å |
| 321 | I | 95.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.4 | 166.2 | -60.2 | -62.6 | 0 | 0 | 0 | 108.9 | I253 F255 V318 V337 R339 T340 I348 S349 I350 | I253-I321 HydrophobicContact CB-CD1 3.85Å; I253-I321 HydrophobicContact CD1-CD1 3.93Å; I253-I321 HydrophobicContact CG1-CD1 4.25Å; F255-I321 HydrophobicContact CD2-CG2 3.89Å; F255-I321 HydrophobicContact CE2-CD1 4.22Å; F255-I321 HydrophobicContact CE2-CG2 3.8Å; V318-I321 HydrophobicContact CG2-CD1 3.31Å; V318-I321 HydrophobicContact CG2-CG1 4.13Å; I321-V337 HydrophobicContact CG2-CG1 4.43Å; I321-R339 HydrophobicContact CD1-CB 3.88Å; I321-T340 HydrophobicContact CG1-CG2 3.71Å; I321-I348 PolarHBondContact N-O 2.76Å; I321-S349 CarbonylContact O-C 3.56Å; I321-S349 VanDerWaalsContact O-CA 3.29Å; I321-S349 WeakPolarHBondContact O-CA 3.43Å; I321-I350 PolarHBondContact O-N 2.99Å |
| 322 | I | 98 | Very high | 84.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115.1 | 170.2 | -59.6 | 178.8 | 0 | 0 | 0 | 108.2 | L240 I243 L244 I253 V254 F255 L320 F324 I350 F352 | L240-I322 HydrophobicContact CD1-CD1 3.83Å; L240-I322 HydrophobicContact CD1-CG2 4.15Å; I243-I322 HydrophobicContact CG2-CD1 3.92Å; L244-I322 HydrophobicContact CD2-CD1 3.85Å; L244-I322 HydrophobicContact CG-CD1 4.23Å; I253-I322 PolarHBondContact O-N 2.8Å; V254-I322 CarbonylContact C-O 3.58Å; V254-I322 WeakPolarHBondContact CA-O 3.49Å; V254-I322 HydrophobicContact CG1-CB 4.26Å; V254-I322 HydrophobicContact CG1-CG2 4.23Å; V254-I322 HydrophobicContact CG2-CB 4.24Å; V254-I322 HydrophobicContact CG2-CD1 4.38Å; F255-I322 PolarHBondContact N-O 3.07Å; L320-I322 HydrophobicContact CD1-CG1 4.26Å; L320-I322 HydrophobicContact CD2-CD1 3.96Å; L320-I322 HydrophobicContact CD2-CG1 4.03Å; L320-I322 HydrophobicContact CG-CD1 4.44Å; L320-I322 HydrophobicContact CG-CG1 3.96Å; I322-F324 VanDerWaalsContact C-N 3.32Å; I322-F324 HydrophobicContact CG2-CB 4.47Å; I322-F324 PolarHBondContact O-N 3.28Å; I322-F324 VanDerWaalsContact O-N 3.14Å; I322-I350 CarbonylContact C-O 2.96Å; I322-I350 WeakPolarHBondContact CA-O 3.26Å; I322-F352 HydrophobicContact CG2-CD1 3.92Å; I322-F352 HydrophobicContact CG2-CE1 3.61Å; I322-F352 HydrophobicContact CG2-CZ 4.18Å |
| 323 | N | 98.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 84.9 | 165.8 | -61.8 | -61.6 | 0 | 0 | 0 | 107.6 | Y333 R336 I350 T351 F352 | N323-Y333 WeakPolarHBondContact ND2-CE2 3.35Å; N323-R336 WeakPolarHBondContact OD1-CD 3.27Å; N323-R336 PolarHBondContact OD1-NH1 3.26Å; N323-R336 VanDerWaalsContact OD1-NH1 3.13Å; N323-I350 PolarHBondContact N-O 3.06Å; N323-T351 HydrophobicContact CB-CG2 3.96Å; N323-T351 PolarHBondContact ND2-OG1 2.94Å; N323-T351 VanDerWaalsContact ND2-OG1 3.08Å; N323-F352 PolarHBondContact O-N 3.23Å |
| 324 | F | 98.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -63.2 | -46.6 | 178.5 | -176.1 | -97.4 | 0 | 0 | 0 | 109.7 | K236 D237 L240 V254 F255 N261 I322 F352 | K236-F324 HydrophobicContact CB-CE2 4.2Å; K236-F324 HydrophobicContact CB-CZ 3.99Å; K236-F324 HydrophobicContact CD-CD1 4.4Å; K236-F324 HydrophobicContact CD-CE1 3.81Å; K236-F324 HydrophobicContact CD-CE2 4.1Å; K236-F324 HydrophobicContact CD-CZ 3.66Å; K236-F324 WeakPolarHBondContact CE-O 3.28Å; K236-F324 HydrophobicContact CG-CD2 4.26Å; K236-F324 HydrophobicContact CG-CE1 4.21Å; K236-F324 HydrophobicContact CG-CE2 3.59Å; K236-F324 HydrophobicContact CG-CZ 3.56Å; K236-F324 PolarHBondContact NZ-O 2.88Å; D237-F324 VanDerWaalsContact OD1-CZ 3.31Å; D237-F324 WeakPolarHBondContact OD1-CZ 3.42Å; L240-F324 HydrophobicContact CB-CD2 4.07Å; L240-F324 HydrophobicContact CB-CE2 3.87Å; L240-F324 HydrophobicContact CD1-CD2 4.27Å; L240-F324 HydrophobicContact CD2-CD2 3.81Å; L240-F324 HydrophobicContact CD2-CE2 3.8Å; L240-F324 HydrophobicContact CG-CD2 4.27Å; L240-F324 HydrophobicContact CG-CE2 4.36Å; V254-F324 HydrophobicContact CG1-CB 3.62Å; V254-F324 HydrophobicContact CG1-CG 4.42Å; F255-F324 WeakPolarHBondContact O-CA 3.34Å; F255-F324 WeakPolarHBondContact O-CB 3.34Å; F255-F324 PolarHBondContact O-N 2.73Å; N261-F324 WeakPolarHBondContact ND2-CE1 3.49Å; I322-F324 VanDerWaalsContact C-N 3.32Å; I322-F324 HydrophobicContact CG2-CB 4.47Å; I322-F324 PolarHBondContact O-N 3.28Å; I322-F324 VanDerWaalsContact O-N 3.14Å; F324-F352 AromaticContact CD2-CD2 3.99Å; F324-F352 HydrophobicContact CD2-CD2 3.99Å; F324-F352 HydrophobicContact CD2-CE2 4.11Å; F324-F352 HydrophobicContact CE2-CD2 4.32Å; F324-F352 HydrophobicContact CE2-CE2 4.35Å; F324-F352 WeakPolarHBondContact O-CB 3.46Å |
| 325 | D | 97.6 | Very high | 87.4 | Confident | 16 Ų | 16 | 29.3 Ų | 29.3 | 9% | 0.086 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -107.7 | 135.1 | 170.2 | -58.9 | -48 | 0 | 0 | 0 | 110.1 | K236 F255 S256 S257 N261 R336 | K236-D325 IonicContact NZ-OD1 2.65Å; K236-D325 PolarHBondContact NZ-OD1 3.22Å; F255-D325 PolarHBondContact O-N 2.68Å; F255-D325 VanDerWaalsContact O-N 3.11Å; S256-D325 VanDerWaalsContact CA-OD2 3.26Å; S256-D325 WeakPolarHBondContact CA-OD2 2.86Å; S256-D325 WeakPolarHBondContact CB-OD2 3.45Å; S256-D325 PolarHBondContact OG-OD2 3.28Å; S257-D325 PolarHBondContact N-OD2 3.08Å; S257-D325 PolarHBondContact OG-OD2 3.12Å; N261-D325 PolarHBondContact ND2-OD2 3.14Å; D325-R336 PolarHBondContact O-NH1 3.37Å |
| 326 | I | 94.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 29.3 Ų | 29.3 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | trans | -61.6 | 132.9 | 177.1 | -55 | -151.2 | 0 | 0 | 0 | 109 | T351 F352 V353 D357 L360 Y361 I364 | I326-T351 HydrophobicContact CD1-CG2 4.27Å; I326-T351 HydrophobicContact CG1-CG2 4.28Å; I326-F352 WeakPolarHBondContact CG1-O 3.44Å; I326-V353 HydrophobicContact CD1-CB 4.23Å; I326-V353 HydrophobicContact CD1-CG1 4.11Å; I326-V353 HydrophobicContact CD1-CG2 3.86Å; I326-D357 HydrophobicContact CB-CB 4.41Å; I326-D357 HydrophobicContact CD1-CB 3.37Å; I326-D357 HydrophobicContact CG1-CB 3.73Å; I326-L360 HydrophobicContact CB-CB 4.49Å; I326-L360 HydrophobicContact CG2-CB 3.73Å; I326-Y361 HydrophobicContact CD1-CD2 4.22Å; I326-Y361 HydrophobicContact CD1-CG 4.34Å; I326-I364 HydrophobicContact CG2-CD1 3.65Å | ||
| 327 | P | 89.8 | Confident | 89 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | trans | -63.6 | 141.6 | 174.6 | 25 | -30.9 | 0 | 0 | 0 | 110.8 | H329 D332 I364 | P327-H329 PolarHBondContact O-N 2.62Å; P327-D332 HydrophobicContact CB-CB 3.65Å; P327-D332 HydrophobicContact CG-CB 4.43Å; P327-I364 HydrophobicContact CG-CD1 3.94Å | ||
| 328 | T | 84.5 | Confident | 89.1 | Confident | 94 Ų | 94 | 23.9 Ų | 23.9 | 58% | 0.577 | 13% | 0.129 | S | C | * | . | S | Bend | trans | -64.9 | -29.1 | 177.3 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 329 | H | 81.3 | Confident | 88.7 | Confident | 122 Ų | 122 | 24.9 Ų | 24.9 | 57% | 0.565 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -112.4 | 128.7 | 174.8 | -57.2 | -68.2 | 0 | 0 | 0 | 110.3 | P327 K331 D332 | P327-H329 PolarHBondContact O-N 2.62Å; H329-K331 PolarHBondContact O-N 3.1Å; H329-K331 VanDerWaalsContact O-N 3.11Å; H329-D332 IonicContact CD2-OD2 3.42Å; H329-D332 WeakPolarHBondContact O-CB 3.32Å; H329-D332 PolarHBondContact O-N 2.98Å |
| 330 | S | 81.3 | Confident | 88.3 | Confident | 33 Ų | 33 | 21.7 Ų | 21.7 | 23% | 0.231 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.4 | -28.3 | -179.8 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | D332 Y333 R363 L367 | S330-D332 VanDerWaalsContact C-N 3.3Å; S330-D332 PolarHBondContact O-N 3.44Å; S330-Y333 VanDerWaalsContact O-CB 3.26Å; S330-Y333 WeakPolarHBondContact O-CB 3.21Å; S330-Y333 PolarHBondContact O-N 3.48Å; S330-R363 WeakPolarHBondContact CB-O 3.34Å; S330-L367 VanDerWaalsContact C-CD2 3.45Å; S330-L367 WeakPolarHBondContact O-CD2 3.37Å |
| 331 | K | 77.9 | Confident | 87.2 | Confident | 65 Ų | 65 | 21.9 Ų | 21.9 | 28% | 0.283 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.7 | -32.1 | 174.6 | -64.3 | -176.3 | -176.3 | 177.9 | 0 | 113.4 | T193 H329 Y333 I334 H335 L367 | T193-K331 HydrophobicContact CG2-CD 4.02Å; T193-K331 VanDerWaalsContact CG2-NZ 3.32Å; T193-K331 PolarHBondContact OG1-NZ 3.15Å; H329-K331 PolarHBondContact O-N 3.1Å; H329-K331 VanDerWaalsContact O-N 3.11Å; K331-Y333 PolarHBondContact O-N 2.99Å; K331-I334 PolarHBondContact O-N 2.88Å; K331-H335 PolarHBondContact O-N 3.46Å; K331-H335 PolarHBondContact O-ND1 3.14Å; K331-L367 HydrophobicContact CG-CD2 4.4Å |
| 332 | D | 85 | Confident | 85.7 | Confident | 10 Ų | 10 | 24.8 Ų | 24.8 | 5% | 0.053 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.8 | -29.4 | 178.8 | -73.6 | -39.1 | 0 | 0 | 0 | 111.6 | R311 P327 H329 S330 I334 H335 R336 | R311-D332 IonicContact CZ-OD1 3.26Å; R311-D332 IonicContact NE-OD1 3.37Å; R311-D332 IonicContact NH2-OD1 2.98Å; R311-D332 PolarHBondContact NH2-OD1 3.27Å; R311-D332 IonicContact NH2-OD2 2.78Å; R311-D332 PolarHBondContact NH2-OD2 3.29Å; P327-D332 HydrophobicContact CB-CB 3.65Å; P327-D332 HydrophobicContact CG-CB 4.43Å; H329-D332 IonicContact CD2-OD2 3.42Å; H329-D332 WeakPolarHBondContact O-CB 3.32Å; H329-D332 PolarHBondContact O-N 2.98Å; S330-D332 VanDerWaalsContact C-N 3.3Å; S330-D332 PolarHBondContact O-N 3.44Å; D332-I334 VanDerWaalsContact C-N 3.32Å; D332-I334 PolarHBondContact O-N 3.08Å; D332-H335 PolarHBondContact O-N 3.42Å; D332-H335 IonicContact OD1-ND1 2.89Å; D332-R336 WeakPolarHBondContact O-CB 3.48Å; D332-R336 VanDerWaalsContact O-CG 3.22Å; D332-R336 WeakPolarHBondContact O-CG 3.24Å; D332-R336 PolarHBondContact O-N 2.88Å |
| 333 | Y | 89.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.7 | -49.1 | 171.7 | 173.6 | -98.4 | 0 | 0 | 0 | 111.4 | T220 Q226 N323 S330 K331 H335 R336 V337 T351 I364 I368 | T220-Y333 HydrophobicContact CG2-CE1 4.39Å; Q226-Y333 WeakPolarHBondContact CG-OH 3.32Å; Q226-Y333 PolarHBondContact OE1-OH 3.13Å; N323-Y333 WeakPolarHBondContact ND2-CE2 3.35Å; S330-Y333 VanDerWaalsContact O-CB 3.26Å; S330-Y333 WeakPolarHBondContact O-CB 3.21Å; S330-Y333 PolarHBondContact O-N 3.48Å; K331-Y333 PolarHBondContact O-N 2.99Å; Y333-H335 VanDerWaalsContact C-N 3.3Å; Y333-H335 PolarHBondContact O-N 2.89Å; Y333-R336 WeakPolarHBondContact O-CB 3.25Å; Y333-R336 PolarHBondContact O-N 3.13Å; Y333-R336 VanDerWaalsContact O-N 3.16Å; Y333-V337 HydrophobicContact CD1-CG2 4.41Å; Y333-V337 HydrophobicContact CD2-CG1 4.03Å; Y333-V337 HydrophobicContact CE1-CG1 4.17Å; Y333-V337 HydrophobicContact CE1-CG2 4.1Å; Y333-V337 HydrophobicContact CE2-CG1 3.61Å; Y333-V337 HydrophobicContact CG-CG1 4.47Å; Y333-V337 WeakPolarHBondContact O-CG1 3.3Å; Y333-V337 WeakPolarHBondContact O-CG2 3.37Å; Y333-V337 PolarHBondContact O-N 3.22Å; Y333-T351 WeakPolarHBondContact CE2-OG1 3.41Å; Y333-I364 HydrophobicContact CD1-CG2 3.47Å; Y333-I364 VanDerWaalsContact CD1-CG2 3.47Å; Y333-I364 HydrophobicContact CD2-CD1 4.19Å; Y333-I364 HydrophobicContact CD2-CG2 3.89Å; Y333-I364 HydrophobicContact CE1-CG2 3.83Å; Y333-I364 HydrophobicContact CE2-CG2 4.21Å; Y333-I364 HydrophobicContact CG-CD1 4.25Å; Y333-I364 HydrophobicContact CG-CG1 4.42Å; Y333-I364 HydrophobicContact CG-CG2 3.5Å; Y333-I364 VanDerWaalsContact CG-CG2 3.5Å; Y333-I368 HydrophobicContact CD1-CG2 4.25Å; Y333-I368 HydrophobicContact CE1-CG2 4.1Å |
| 334 | I | 83.5 | Confident | 81.9 | Confident | 14 Ų | 14 | 32.3 Ų | 32.3 | 7% | 0.072 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | -179.5 | -56.6 | -176.2 | 0 | 0 | 0 | 110.5 | Y218 K331 D332 R336 G338 L367 | Y218-I334 HydrophobicContact CD1-CD1 3.33Å; Y218-I334 HydrophobicContact CE1-CD1 4.26Å; Y218-I334 HydrophobicContact CG-CD1 3.83Å; K331-I334 PolarHBondContact O-N 2.88Å; D332-I334 VanDerWaalsContact C-N 3.32Å; D332-I334 PolarHBondContact O-N 3.08Å; I334-R336 PolarHBondContact O-N 2.93Å; I334-G338 PolarHBondContact O-N 3.33Å; I334-L367 HydrophobicContact CD1-CD2 3.61Å; I334-L367 HydrophobicContact CD1-CG 4.08Å; I334-L367 HydrophobicContact CG1-CD2 4.2Å |
| 335 | H | 80.1 | Confident | 80.5 | Confident | 35 Ų | 35 | 40.9 Ų | 40.9 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.4 | -36.7 | 177.8 | -59.7 | 140.1 | 0 | 0 | 0 | 113.5 | R164 K331 D332 Y333 R339 | R164-H335 PolarHBondContact NH2-CD2 3.21Å; R164-H335 PolarHBondContact NH2-CE1 2.81Å; R164-H335 PolarHBondContact NH2-ND1 2.91Å; R164-H335 PolarHBondContact NH2-NE2 3.14Å; K331-H335 PolarHBondContact O-N 3.46Å; K331-H335 PolarHBondContact O-ND1 3.14Å; D332-H335 PolarHBondContact O-N 3.42Å; D332-H335 IonicContact OD1-ND1 2.89Å; Y333-H335 VanDerWaalsContact C-N 3.3Å; Y333-H335 PolarHBondContact O-N 2.89Å; H335-R339 PolarHBondContact O-NE 3.39Å |
| 336 | R | 89.9 | Confident | 79.6 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -51.6 | 177.2 | -72.2 | 179.4 | -175.7 | -170.7 | 1 | 111 | F255 D307 N323 D325 D332 Y333 I334 G338 R339 | F255-R336 HydrophobicContact CD1-CG 3.96Å; F255-R336 HydrophobicContact CD2-CB 3.72Å; F255-R336 HydrophobicContact CD2-CG 3.62Å; F255-R336 HydrophobicContact CE1-CG 3.98Å; F255-R336 HydrophobicContact CE2-CB 3.48Å; F255-R336 VanDerWaalsContact CE2-CB 3.48Å; F255-R336 HydrophobicContact CE2-CG 3.63Å; F255-R336 HydrophobicContact CG-CB 4.4Å; F255-R336 HydrophobicContact CG-CG 3.78Å; F255-R336 HydrophobicContact CZ-CB 4Å; F255-R336 HydrophobicContact CZ-CG 3.81Å; D307-R336 IonicContact OD1-CZ 2.79Å; D307-R336 IonicContact OD1-NE 3.09Å; D307-R336 PolarHBondContact OD1-NE 2.91Å; D307-R336 IonicContact OD1-NH2 3.12Å; D307-R336 PolarHBondContact OD1-NH2 2.75Å; D307-R336 IonicContact OD2-CZ 3.3Å; D307-R336 IonicContact OD2-NE 3.44Å; D307-R336 IonicContact OD2-NH2 3.51Å; D307-R336 PolarHBondContact OD2-NH2 3.49Å; N323-R336 WeakPolarHBondContact OD1-CD 3.27Å; N323-R336 PolarHBondContact OD1-NH1 3.26Å; N323-R336 VanDerWaalsContact OD1-NH1 3.13Å; D325-R336 PolarHBondContact O-NH1 3.37Å; D332-R336 WeakPolarHBondContact O-CB 3.48Å; D332-R336 VanDerWaalsContact O-CG 3.22Å; D332-R336 WeakPolarHBondContact O-CG 3.24Å; D332-R336 PolarHBondContact O-N 2.88Å; Y333-R336 WeakPolarHBondContact O-CB 3.25Å; Y333-R336 PolarHBondContact O-N 3.13Å; Y333-R336 VanDerWaalsContact O-N 3.16Å; I334-R336 PolarHBondContact O-N 2.93Å; R336-G338 VanDerWaalsContact C-N 3.34Å; R336-G338 PolarHBondContact O-N 3.16Å; R336-R339 WeakPolarHBondContact O-CB 3.44Å; R336-R339 VanDerWaalsContact O-CG 3.31Å; R336-R339 WeakPolarHBondContact O-CG 3.22Å; R336-R339 PolarHBondContact O-N 2.9Å |
| 337 | V | 89.1 | Confident | 79.4 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74.4 | -25.5 | -176.7 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | T220 L224 I321 Y333 R339 T340 S349 | T220-V337 HydrophobicContact CG2-CG2 3.9Å; L224-V337 HydrophobicContact CD2-CB 3.7Å; L224-V337 HydrophobicContact CD2-CG2 3.65Å; I321-V337 HydrophobicContact CG2-CG1 4.43Å; Y333-V337 HydrophobicContact CD1-CG2 4.41Å; Y333-V337 HydrophobicContact CD2-CG1 4.03Å; Y333-V337 HydrophobicContact CE1-CG1 4.17Å; Y333-V337 HydrophobicContact CE1-CG2 4.1Å; Y333-V337 HydrophobicContact CE2-CG1 3.61Å; Y333-V337 HydrophobicContact CG-CG1 4.47Å; Y333-V337 WeakPolarHBondContact O-CG1 3.3Å; Y333-V337 WeakPolarHBondContact O-CG2 3.37Å; Y333-V337 PolarHBondContact O-N 3.22Å; V337-R339 PolarHBondContact O-N 3.25Å; V337-T340 WeakPolarHBondContact O-CG2 3.26Å; V337-T340 PolarHBondContact O-N 3.21Å; V337-T340 VanDerWaalsContact O-N 3.1Å; V337-S349 WeakPolarHBondContact CG1-OG 3.43Å |
| 338 | G | 82.2 | Confident | 79.5 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -0.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I334 R336 R342 | I334-G338 PolarHBondContact O-N 3.33Å; R336-G338 VanDerWaalsContact C-N 3.34Å; R336-G338 PolarHBondContact O-N 3.16Å; G338-R342 PolarHBondContact O-NE 2.93Å; G338-R342 PolarHBondContact O-NH2 3Å; G338-R342 VanDerWaalsContact O-NH2 3.09Å |
| 339 | R | 80.9 | Confident | 80.1 | Confident | 28 Ų | 28 | 41.3 Ų | 41.3 | 11% | 0.106 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13.2 | 171.3 | -59.1 | -65.7 | 145.1 | 176.8 | 0.6 | 113.3 | I253 H317 V318 I321 H335 R336 V337 | I253-R339 HydrophobicContact CD1-CB 4.2Å; H317-R339 WeakPolarHBondContact CA-O 3.17Å; H317-R339 PolarHBondContact ND1-O 3.38Å; V318-R339 PolarHBondContact N-O 3.25Å; I321-R339 HydrophobicContact CD1-CB 3.88Å; H335-R339 PolarHBondContact O-NE 3.39Å; R336-R339 WeakPolarHBondContact O-CB 3.44Å; R336-R339 VanDerWaalsContact O-CG 3.31Å; R336-R339 WeakPolarHBondContact O-CG 3.22Å; R336-R339 PolarHBondContact O-N 2.9Å; V337-R339 PolarHBondContact O-N 3.25Å |
| 340 | T | 82.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -113.1 | 179.3 | 173.4 | -170.2 | 0 | 0 | 0 | 0 | 111 | L224 V318 I321 V337 R342 G347 | L224-T340 HydrophobicContact CD1-CG2 3.44Å; L224-T340 VanDerWaalsContact CD1-CG2 3.44Å; L224-T340 HydrophobicContact CD2-CG2 4.48Å; V318-T340 WeakPolarHBondContact O-CB 3.42Å; V318-T340 PolarHBondContact O-OG1 3.43Å; I321-T340 HydrophobicContact CG1-CG2 3.71Å; V337-T340 WeakPolarHBondContact O-CG2 3.26Å; V337-T340 PolarHBondContact O-N 3.21Å; V337-T340 VanDerWaalsContact O-N 3.1Å; T340-R342 PolarHBondContact O-N 3.12Å; T340-G347 WeakPolarHBondContact OG1-CA 3.29Å |
| 341 | A | 70.9 | Confident | 81.7 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 53.4 | 38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | V221 L224 R345 | V221-A341 HydrophobicContact CB-CB 4.33Å; V221-A341 WeakPolarHBondContact CG1-O 3.4Å; L224-A341 HydrophobicContact CB-CB 3.72Å; L224-A341 HydrophobicContact CD1-CB 4.3Å; L224-A341 HydrophobicContact CG-CB 4.47Å; A341-R345 CarbonylContact C-O 3.53Å; A341-R345 VanDerWaalsContact CA-O 3.24Å; A341-R345 WeakPolarHBondContact CA-O 3.45Å |
| 342 | R | 64.9 | Low | 82.7 | Confident | 62 Ų | 62 | 30.8 Ų | 30.8 | 23% | 0.234 | 18% | 0.181 | C | C | . | . | trans | -98.4 | 160.5 | 177 | -66.5 | -148.2 | -161.6 | 168 | -17.1 | 113.6 | T56 H317 G338 T340 G344 R345 | T56-R342 PolarHBondContact O-NH2 3.11Å; H317-R342 WeakPolarHBondContact CE1-CD 3.35Å; H317-R342 PolarHBondContact CE1-NE 2.88Å; H317-R342 VanDerWaalsContact CE1-NE 3.31Å; G338-R342 PolarHBondContact O-NE 2.93Å; G338-R342 PolarHBondContact O-NH2 3Å; G338-R342 VanDerWaalsContact O-NH2 3.09Å; T340-R342 PolarHBondContact O-N 3.12Å; R342-G344 VanDerWaalsContact C-N 3.26Å; R342-G344 PolarHBondContact O-N 2.76Å; R342-R345 WeakPolarHBondContact O-CB 3.4Å; R342-R345 PolarHBondContact O-N 2.96Å | ||
| 343 | A | 58.3 | Low | 83.3 | Confident | 109 Ų | 109 | 30.4 Ų | 30.4 | 90% | 0.901 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R345 | A343-R345 VanDerWaalsContact C-N 3.28Å; A343-R345 PolarHBondContact O-N 3.11Å |
| 344 | G | 58.1 | Low | 83.7 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 51% | 0.505 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -5.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | K223 R342 | K223-G344 VanDerWaalsContact CD-O 3.25Å; K223-G344 WeakPolarHBondContact CD-O 3.13Å; K223-G344 PolarHBondContact NZ-O 3.39Å; R342-G344 VanDerWaalsContact C-N 3.26Å; R342-G344 PolarHBondContact O-N 2.76Å |
| 345 | R | 69.2 | Low | 84.3 | Confident | 184 Ų | 184 | 34.2 Ų | 34.2 | 69% | 0.694 | 20% | 0.197 | S | C | * | . | trans | -72.1 | 145.9 | 172.3 | -67 | -178.3 | 132 | 130.2 | 0.3 | 111 | A341 R342 A343 | A341-R345 CarbonylContact C-O 3.53Å; A341-R345 VanDerWaalsContact CA-O 3.24Å; A341-R345 WeakPolarHBondContact CA-O 3.45Å; R342-R345 WeakPolarHBondContact O-CB 3.4Å; R342-R345 PolarHBondContact O-N 2.96Å; A343-R345 VanDerWaalsContact C-N 3.28Å; A343-R345 PolarHBondContact O-N 3.11Å | ||
| 346 | S | 78.9 | Confident | 85.1 | Confident | 93 Ų | 93 | 40.8 Ų | 40.8 | 65% | 0.65 | 22% | 0.221 | S | C | * | . | trans | -76 | 149.9 | 167.5 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 347 | G | 88.4 | Confident | 85.3 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 155.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K223 L224 K225 T340 | K223-G347 PolarHBondContact O-N 2.77Å; L224-G347 WeakPolarHBondContact CD1-O 3.35Å; K225-G347 PolarHBondContact N-O 2.68Å; T340-G347 WeakPolarHBondContact OG1-CA 3.29Å |
| 348 | I | 93.8 | Very high | 85.5 | Confident | 34 Ų | 34 | 44.5 Ų | 44.5 | 17% | 0.174 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.3 | 177 | -65.1 | 164.4 | 0 | 0 | 0 | 109.2 | K225 Y227 M247 D319 L320 I321 I350 | K225-I348 HydrophobicContact CB-CG1 4.31Å; K225-I348 CarbonylContact O-C 3.58Å; K225-I348 WeakPolarHBondContact O-CA 3.17Å; Y227-I348 HydrophobicContact CD2-CG2 4.21Å; Y227-I348 HydrophobicContact CE2-CG2 4.34Å; M247-I348 HydrophobicContact CE-CB 4.24Å; M247-I348 HydrophobicContact CE-CD1 3.59Å; M247-I348 HydrophobicContact CE-CG2 4.22Å; D319-I348 PolarHBondContact O-N 3.05Å; D319-I348 VanDerWaalsContact O-N 3.13Å; L320-I348 CarbonylContact C-O 3.46Å; L320-I348 WeakPolarHBondContact CA-O 3.26Å; L320-I348 HydrophobicContact CD1-CB 4.07Å; L320-I348 HydrophobicContact CD1-CG2 3.79Å; I321-I348 PolarHBondContact N-O 2.76Å; I348-I350 HydrophobicContact CG2-CD1 4.35Å; I348-I350 HydrophobicContact CG2-CG1 4.02Å |
| 349 | S | 95.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129 | 170 | 165.2 | 0 | 0 | 0 | 0 | 109.7 | K225 Q226 Y227 I321 V337 | K225-S349 PolarHBondContact O-N 3.34Å; Q226-S349 WeakPolarHBondContact CA-O 3.36Å; Y227-S349 PolarHBondContact N-O 3Å; I321-S349 CarbonylContact O-C 3.56Å; I321-S349 VanDerWaalsContact O-CA 3.29Å; I321-S349 WeakPolarHBondContact O-CA 3.43Å; V337-S349 WeakPolarHBondContact CG1-OG 3.43Å |
| 350 | I | 98 | Very high | 86.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.6 | 174.4 | -55.4 | 170.3 | 0 | 0 | 0 | 109 | Y227 V229 I243 L320 I321 I322 N323 I348 F352 Y375 | Y227-I350 WeakPolarHBondContact O-CA 3.49Å; V229-I350 HydrophobicContact CG1-CG2 4.2Å; V229-I350 HydrophobicContact CG2-CG2 4.49Å; I243-I350 HydrophobicContact CD1-CD1 4.4Å; I243-I350 HydrophobicContact CD1-CG2 4.16Å; I243-I350 HydrophobicContact CG2-CD1 3.68Å; L320-I350 HydrophobicContact CD1-CD1 4.13Å; L320-I350 HydrophobicContact CD1-CG1 4.29Å; I321-I350 PolarHBondContact O-N 2.99Å; I322-I350 CarbonylContact C-O 2.96Å; I322-I350 WeakPolarHBondContact CA-O 3.26Å; N323-I350 PolarHBondContact N-O 3.06Å; I348-I350 HydrophobicContact CG2-CD1 4.35Å; I348-I350 HydrophobicContact CG2-CG1 4.02Å; I350-F352 HydrophobicContact CG2-CD1 4.18Å; I350-F352 HydrophobicContact CG2-CE1 3.99Å; I350-Y375 HydrophobicContact CD1-CD1 4.26Å; I350-Y375 HydrophobicContact CD1-CD2 3.64Å; I350-Y375 HydrophobicContact CD1-CE1 4.15Å; I350-Y375 HydrophobicContact CD1-CE2 3.47Å; I350-Y375 VanDerWaalsContact CD1-CE2 3.47Å; I350-Y375 HydrophobicContact CD1-CG 4.02Å; I350-Y375 HydrophobicContact CG1-CD2 3.9Å; I350-Y375 HydrophobicContact CG1-CE2 4.13Å; I350-Y375 HydrophobicContact CG1-CG 4.37Å |
| 351 | T | 98.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.1 | 178.6 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | Y227 Y228 V229 N323 I326 Y333 V353 Y361 | Y227-T351 PolarHBondContact O-N 3.27Å; Y228-T351 CarbonylContact C-O 3.52Å; Y228-T351 WeakPolarHBondContact CA-O 3.44Å; V229-T351 PolarHBondContact N-O 3.05Å; N323-T351 HydrophobicContact CB-CG2 3.96Å; N323-T351 PolarHBondContact ND2-OG1 2.94Å; N323-T351 VanDerWaalsContact ND2-OG1 3.08Å; I326-T351 HydrophobicContact CD1-CG2 4.27Å; I326-T351 HydrophobicContact CG1-CG2 4.28Å; Y333-T351 WeakPolarHBondContact CE2-OG1 3.41Å; T351-V353 HydrophobicContact CG2-CG2 4.28Å; T351-Y361 HydrophobicContact CG2-CD2 4.34Å |
| 352 | F | 98.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 116.9 | 179.6 | -76.8 | 37.3 | 0 | 0 | 0 | 108.5 | V229 I231 K236 L240 I243 I322 N323 F324 I326 I350 | V229-F352 HydrophobicContact CG2-CB 4.18Å; V229-F352 HydrophobicContact CG2-CD1 3.5Å; V229-F352 HydrophobicContact CG2-CD2 4.26Å; V229-F352 HydrophobicContact CG2-CE1 3.89Å; V229-F352 HydrophobicContact CG2-CG 3.71Å; V229-F352 HydrophobicContact CG2-CZ 4.42Å; I231-F352 HydrophobicContact CD1-CD2 3.62Å; I231-F352 HydrophobicContact CD1-CE2 4.05Å; I231-F352 HydrophobicContact CD1-CG 4.29Å; K236-F352 HydrophobicContact CG-CD2 3.83Å; K236-F352 WeakPolarHBondContact O-CE2 3.28Å; L240-F352 HydrophobicContact CB-CE2 4.02Å; L240-F352 HydrophobicContact CB-CZ 4.26Å; I243-F352 HydrophobicContact CD1-CE1 3.58Å; I243-F352 HydrophobicContact CD1-CZ 3.58Å; I322-F352 HydrophobicContact CG2-CD1 3.92Å; I322-F352 HydrophobicContact CG2-CE1 3.61Å; I322-F352 HydrophobicContact CG2-CZ 4.18Å; N323-F352 PolarHBondContact O-N 3.23Å; F324-F352 AromaticContact CD2-CD2 3.99Å; F324-F352 HydrophobicContact CD2-CD2 3.99Å; F324-F352 HydrophobicContact CD2-CE2 4.11Å; F324-F352 HydrophobicContact CE2-CD2 4.32Å; F324-F352 HydrophobicContact CE2-CE2 4.35Å; F324-F352 WeakPolarHBondContact O-CB 3.46Å; I326-F352 WeakPolarHBondContact CG1-O 3.44Å; I350-F352 HydrophobicContact CG2-CD1 4.18Å; I350-F352 HydrophobicContact CG2-CE1 3.99Å |
| 353 | V | 98.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.7 | 180 | -170.9 | 0 | 0 | 0 | 0 | 107.8 | Y228 V229 F230 I231 I326 T351 D357 Y361 | Y228-V353 HydrophobicContact CD2-CB 4.37Å; Y228-V353 HydrophobicContact CD2-CG2 3.88Å; Y228-V353 HydrophobicContact CG-CG2 4.42Å; V229-V353 WeakPolarHBondContact O-CB 3.48Å; V229-V353 PolarHBondContact O-N 3.23Å; F230-V353 CarbonylContact C-O 3.59Å; F230-V353 WeakPolarHBondContact CA-O 3.5Å; F230-V353 HydrophobicContact CD2-CB 4.03Å; F230-V353 HydrophobicContact CD2-CG1 3.82Å; F230-V353 WeakPolarHBondContact CD2-O 3.31Å; F230-V353 HydrophobicContact CE2-CG1 4.18Å; I231-V353 PolarHBondContact N-O 3.3Å; I326-V353 HydrophobicContact CD1-CB 4.23Å; I326-V353 HydrophobicContact CD1-CG1 4.11Å; I326-V353 HydrophobicContact CD1-CG2 3.86Å; T351-V353 HydrophobicContact CG2-CG2 4.28Å; V353-D357 HydrophobicContact CG1-CB 4.23Å; V353-Y361 HydrophobicContact CG1-CD1 4.36Å; V353-Y361 HydrophobicContact CG1-CG 4.05Å; V353-Y361 HydrophobicContact CG2-CD1 4.2Å; V353-Y361 HydrophobicContact CG2-CD2 3.4Å; V353-Y361 HydrophobicContact CG2-CE2 3.79Å; V353-Y361 HydrophobicContact CG2-CG 3.63Å |
| 354 | T | 97.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -110.6 | 177.7 | 173.7 | 76.6 | 0 | 0 | 0 | 0 | 111.5 | I231 Q233 K236 Y356 D357 | I231-T354 VanDerWaalsContact O-CA 3.25Å; I231-T354 WeakPolarHBondContact O-CA 3.32Å; I231-T354 WeakPolarHBondContact O-CB 3.49Å; I231-T354 WeakPolarHBondContact O-CG2 2.73Å; Q233-T354 HydrophobicContact CB-CG2 4.1Å; K236-T354 HydrophobicContact CD-CG2 4.21Å; T354-Y356 PolarHBondContact O-N 3.45Å; T354-Y356 PolarHBondContact OG1-N 2.69Å; T354-D357 VanDerWaalsContact CB-OD2 3.28Å; T354-D357 WeakPolarHBondContact CB-OD2 3.44Å; T354-D357 WeakPolarHBondContact CG2-OD2 3.29Å; T354-D357 PolarHBondContact N-OD2 2.77Å; T354-D357 PolarHBondContact O-N 2.98Å; T354-D357 PolarHBondContact OG1-OD2 3.3Å | ||
| 355 | Q | 96.3 | Very high | 92 | Very high | 93 Ų | 93 | 52.5 Ų | 52.5 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.6 | 176.3 | 71.4 | -90.6 | 34 | 0 | 0 | 113.7 | Q233 | Q233-Q355 VanDerWaalsContact N-OE1 3.07Š|
| 356 | Y | 96 | Very high | 92.7 | Very high | 173 Ų | 173 | 53.6 Ų | 53.6 | 68% | 0.678 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -10.8 | 179.8 | -55.1 | -64.7 | 0 | 0 | 0 | 113.7 | Q233 T354 | Q233-Y356 HydrophobicContact CB-CD2 4.22Å; Q233-Y356 HydrophobicContact CB-CE2 4.09Å; Q233-Y356 HydrophobicContact CG-CE2 4.48Å; T354-Y356 PolarHBondContact O-N 3.45Å; T354-Y356 PolarHBondContact OG1-N 2.69Å |
| 357 | D | 95.7 | Very high | 92.9 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 13% | 0.128 | 23% | 0.229 | C | C | . | . | trans | -106.2 | 0.8 | -168.6 | -50.6 | -60.3 | 0 | 0 | 0 | 113.5 | I326 V353 T354 E359 L360 Y361 | I326-D357 HydrophobicContact CB-CB 4.41Å; I326-D357 HydrophobicContact CD1-CB 3.37Å; I326-D357 HydrophobicContact CG1-CB 3.73Å; V353-D357 HydrophobicContact CG1-CB 4.23Å; T354-D357 VanDerWaalsContact CB-OD2 3.28Å; T354-D357 WeakPolarHBondContact CB-OD2 3.44Å; T354-D357 WeakPolarHBondContact CG2-OD2 3.29Å; T354-D357 PolarHBondContact N-OD2 2.77Å; T354-D357 PolarHBondContact O-N 2.98Å; T354-D357 PolarHBondContact OG1-OD2 3.3Å; D357-E359 PolarHBondContact O-N 2.78Å; D357-L360 PolarHBondContact O-N 3.42Å; D357-L360 VanDerWaalsContact O-N 3.15Å; D357-Y361 WeakPolarHBondContact O-CB 3.49Å; D357-Y361 PolarHBondContact O-N 3.21Å | ||
| 358 | V | 93.6 | Very high | 92.7 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 36% | 0.358 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.2 | -47.4 | -170.6 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | F230 Y361 Q362 | F230-V358 HydrophobicContact CE2-CG2 4.03Å; F230-V358 HydrophobicContact CZ-CG2 4.36Å; V358-Y361 PolarHBondContact O-N 2.66Å; V358-Q362 WeakPolarHBondContact O-CG 3.43Å; V358-Q362 PolarHBondContact O-N 2.83Å |
| 359 | E | 88.6 | Confident | 92.2 | Very high | 119 Ų | 119 | 53.8 Ų | 53.8 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.5 | -43.1 | -179.1 | -169.9 | -171.6 | 168.9 | 0 | 0 | 111.9 | D357 Y361 Q362 R363 | D357-E359 PolarHBondContact O-N 2.78Å; E359-Y361 VanDerWaalsContact C-N 3.3Å; E359-Y361 PolarHBondContact O-N 3.31Å; E359-Q362 PolarHBondContact O-N 3.33Å; E359-R363 WeakPolarHBondContact O-CG 3.36Å; E359-R363 PolarHBondContact O-N 3.09Å; E359-R363 VanDerWaalsContact O-N 3.15Å; E359-R363 IonicContact OE1-CZ 2.65Å; E359-R363 IonicContact OE1-NE 3.61Å; E359-R363 IonicContact OE1-NH2 3.7Å; E359-R363 PolarHBondContact OE1-NH2 2.99Å |
| 360 | L | 89.3 | Confident | 91.8 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 177.7 | -66.9 | 178.3 | 0 | 0 | 0 | 111.1 | I326 D357 R363 I364 | I326-L360 HydrophobicContact CB-CB 4.49Å; I326-L360 HydrophobicContact CG2-CB 3.73Å; D357-L360 PolarHBondContact O-N 3.42Å; D357-L360 VanDerWaalsContact O-N 3.15Å; L360-R363 PolarHBondContact O-N 2.86Å; L360-I364 PolarHBondContact O-N 2.95Å |
| 361 | Y | 96.1 | Very high | 91.6 | Very high | 11 Ų | 11 | 66 Ų | 66 | 4% | 0.043 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 175.9 | -180 | -110 | 0 | 0 | 0 | 112.3 | Y228 I326 T351 V353 D357 V358 E359 R363 I364 E365 L372 | Y228-Y361 VanDerWaalsContact CD1-OH 3.25Å; Y228-Y361 WeakPolarHBondContact CD1-OH 3.33Å; Y228-Y361 HydrophobicContact CD2-CE1 4.2Å; Y228-Y361 HydrophobicContact CE2-CE1 4.42Å; Y228-Y361 HydrophobicContact CG-CE1 4.3Å; Y228-Y361 HydrophobicContact CG-CE2 4.18Å; Y228-Y361 AromaticContact CG-CZ 3.68Å; I326-Y361 HydrophobicContact CD1-CD2 4.22Å; I326-Y361 HydrophobicContact CD1-CG 4.34Å; T351-Y361 HydrophobicContact CG2-CD2 4.34Å; V353-Y361 HydrophobicContact CG1-CD1 4.36Å; V353-Y361 HydrophobicContact CG1-CG 4.05Å; V353-Y361 HydrophobicContact CG2-CD1 4.2Å; V353-Y361 HydrophobicContact CG2-CD2 3.4Å; V353-Y361 HydrophobicContact CG2-CE2 3.79Å; V353-Y361 HydrophobicContact CG2-CG 3.63Å; D357-Y361 WeakPolarHBondContact O-CB 3.49Å; D357-Y361 PolarHBondContact O-N 3.21Å; V358-Y361 PolarHBondContact O-N 2.66Å; E359-Y361 VanDerWaalsContact C-N 3.3Å; E359-Y361 PolarHBondContact O-N 3.31Å; Y361-R363 VanDerWaalsContact C-N 3.25Å; Y361-R363 PolarHBondContact O-N 2.93Å; Y361-I364 WeakPolarHBondContact O-CA 3.49Å; Y361-I364 VanDerWaalsContact O-CB 3.29Å; Y361-I364 WeakPolarHBondContact O-CB 3.29Å; Y361-I364 PolarHBondContact O-N 2.79Å; Y361-E365 HydrophobicContact CD1-CG 4.47Å; Y361-E365 HydrophobicContact CE1-CG 3.85Å; Y361-E365 WeakPolarHBondContact CE1-OE1 3.43Å; Y361-E365 HydrophobicContact CE2-CG 4.35Å; Y361-E365 VanDerWaalsContact CZ-OE1 3.3Å; Y361-E365 PolarHBondContact O-N 2.94Å; Y361-E365 VanDerWaalsContact O-N 3.1Å; Y361-E365 PolarHBondContact OH-OE1 2.93Å; Y361-L372 HydrophobicContact CE2-CD1 4.26Å; Y361-L372 WeakPolarHBondContact OH-CB 3.21Å |
| 362 | Q | 91.1 | Very high | 91.4 | Very high | 111 Ų | 111 | 66.4 Ų | 66.4 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -35.3 | 177.7 | -75.1 | 174.6 | -19 | 0 | 0 | 112.4 | V358 E359 I364 E365 Y366 | V358-Q362 WeakPolarHBondContact O-CG 3.43Å; V358-Q362 PolarHBondContact O-N 2.83Å; E359-Q362 PolarHBondContact O-N 3.33Å; Q362-I364 PolarHBondContact O-N 2.99Å; Q362-E365 PolarHBondContact O-N 3.36Å; Q362-Y366 WeakPolarHBondContact O-CB 3.31Å; Q362-Y366 PolarHBondContact O-N 2.81Å |
| 363 | R | 87.4 | Confident | 91.3 | Very high | 122 Ų | 122 | 69.8 Ų | 69.8 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -29.7 | 173.4 | -68.2 | 171.9 | -173.4 | -177.1 | 1.4 | 112.6 | S330 E359 L360 Y361 L367 | S330-R363 WeakPolarHBondContact CB-O 3.34Å; E359-R363 WeakPolarHBondContact O-CG 3.36Å; E359-R363 PolarHBondContact O-N 3.09Å; E359-R363 VanDerWaalsContact O-N 3.15Å; E359-R363 IonicContact OE1-CZ 2.65Å; E359-R363 IonicContact OE1-NE 3.61Å; E359-R363 IonicContact OE1-NH2 3.7Å; E359-R363 PolarHBondContact OE1-NH2 2.99Å; L360-R363 PolarHBondContact O-N 2.86Å; Y361-R363 VanDerWaalsContact C-N 3.25Å; Y361-R363 PolarHBondContact O-N 2.93Å; R363-L367 WeakPolarHBondContact O-CB 3.29Å; R363-L367 PolarHBondContact O-N 2.78Å |
| 364 | I | 89.7 | Confident | 91.2 | Very high | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.5 | -51.2 | 173.8 | -66.6 | 167 | 0 | 0 | 0 | 109.8 | I326 P327 Y333 L360 Y361 Q362 Y366 L367 I368 | I326-I364 HydrophobicContact CG2-CD1 3.65Å; P327-I364 HydrophobicContact CG-CD1 3.94Å; Y333-I364 HydrophobicContact CD1-CG2 3.47Å; Y333-I364 VanDerWaalsContact CD1-CG2 3.47Å; Y333-I364 HydrophobicContact CD2-CD1 4.19Å; Y333-I364 HydrophobicContact CD2-CG2 3.89Å; Y333-I364 HydrophobicContact CE1-CG2 3.83Å; Y333-I364 HydrophobicContact CE2-CG2 4.21Å; Y333-I364 HydrophobicContact CG-CD1 4.25Å; Y333-I364 HydrophobicContact CG-CG1 4.42Å; Y333-I364 HydrophobicContact CG-CG2 3.5Å; Y333-I364 VanDerWaalsContact CG-CG2 3.5Å; L360-I364 PolarHBondContact O-N 2.95Å; Y361-I364 WeakPolarHBondContact O-CA 3.49Å; Y361-I364 VanDerWaalsContact O-CB 3.29Å; Y361-I364 WeakPolarHBondContact O-CB 3.29Å; Y361-I364 PolarHBondContact O-N 2.79Å; Q362-I364 PolarHBondContact O-N 2.99Å; I364-Y366 VanDerWaalsContact C-N 3.28Å; I364-Y366 PolarHBondContact O-N 2.82Å; I364-L367 WeakPolarHBondContact O-CB 3.41Å; I364-L367 PolarHBondContact O-N 3.42Å; I364-I368 WeakPolarHBondContact O-CG1 3.39Å; I364-I368 PolarHBondContact O-N 2.94Å |
| 365 | E | 91.6 | Very high | 91.2 | Very high | 27 Ų | 27 | 75.7 Ų | 75.7 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.4 | -41.8 | 178.4 | -69.5 | -168 | 138 | 0 | 0 | 112.1 | Y361 Q362 I368 G369 K370 Q371 L372 | Y361-E365 HydrophobicContact CD1-CG 4.47Å; Y361-E365 HydrophobicContact CE1-CG 3.85Å; Y361-E365 WeakPolarHBondContact CE1-OE1 3.43Å; Y361-E365 HydrophobicContact CE2-CG 4.35Å; Y361-E365 VanDerWaalsContact CZ-OE1 3.3Å; Y361-E365 PolarHBondContact O-N 2.94Å; Y361-E365 VanDerWaalsContact O-N 3.1Å; Y361-E365 PolarHBondContact OH-OE1 2.93Å; Q362-E365 PolarHBondContact O-N 3.36Å; E365-I368 WeakPolarHBondContact O-CG1 3.4Å; E365-I368 PolarHBondContact O-N 3.18Å; E365-G369 PolarHBondContact O-N 3.22Å; E365-K370 WeakPolarHBondContact CB-O 3.4Å; E365-K370 PolarHBondContact O-N 3.13Å; E365-Q371 VanDerWaalsContact OE1-CA 3.24Å; E365-Q371 WeakPolarHBondContact OE1-CA 3.39Å; E365-L372 PolarHBondContact OE1-N 3.46Å |
| 366 | Y | 84.3 | Confident | 91.2 | Very high | 206 Ų | 206 | 79.8 Ų | 79.8 | 81% | 0.808 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.8 | -44 | 174.2 | -177.3 | -96.9 | 0 | 0 | 0 | 112.3 | Q362 I364 G369 | Q362-Y366 WeakPolarHBondContact O-CB 3.31Å; Q362-Y366 PolarHBondContact O-N 2.81Å; I364-Y366 VanDerWaalsContact C-N 3.28Å; I364-Y366 PolarHBondContact O-N 2.82Å; Y366-G369 PolarHBondContact O-N 2.98Å |
| 367 | L | 81.6 | Confident | 91.2 | Very high | 46 Ų | 46 | 73.8 Ų | 73.8 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 178.7 | 178.4 | 67.3 | 0 | 0 | 0 | 112.2 | S330 K331 I334 R363 I364 G369 | S330-L367 VanDerWaalsContact C-CD2 3.45Å; S330-L367 WeakPolarHBondContact O-CD2 3.37Å; K331-L367 HydrophobicContact CG-CD2 4.4Å; I334-L367 HydrophobicContact CD1-CD2 3.61Å; I334-L367 HydrophobicContact CD1-CG 4.08Å; I334-L367 HydrophobicContact CG1-CD2 4.2Å; R363-L367 WeakPolarHBondContact O-CB 3.29Å; R363-L367 PolarHBondContact O-N 2.78Å; I364-L367 WeakPolarHBondContact O-CB 3.41Å; I364-L367 PolarHBondContact O-N 3.42Å; L367-G369 VanDerWaalsContact C-N 3.32Å |
| 368 | I | 85 | Confident | 91.1 | Very high | 18 Ų | 18 | 76.6 Ų | 76.6 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -83.5 | -9.7 | -179.8 | 66.9 | 177.7 | 0 | 0 | 0 | 113 | Y333 I364 E365 K370 L372 | Y333-I368 HydrophobicContact CD1-CG2 4.25Å; Y333-I368 HydrophobicContact CE1-CG2 4.1Å; I364-I368 WeakPolarHBondContact O-CG1 3.39Å; I364-I368 PolarHBondContact O-N 2.94Å; E365-I368 WeakPolarHBondContact O-CG1 3.4Å; E365-I368 PolarHBondContact O-N 3.18Å; I368-K370 VanDerWaalsContact C-N 3.32Å; I368-K370 HydrophobicContact CD1-CG 3.83Å; I368-K370 HydrophobicContact CG1-CG 3.9Å; I368-K370 PolarHBondContact O-N 3.15Å; I368-L372 HydrophobicContact CD1-CD1 4.39Å; I368-L372 HydrophobicContact CD1-CD2 3.49Å; I368-L372 VanDerWaalsContact CD1-CD2 3.49Å; I368-L372 HydrophobicContact CD1-CG 3.99Å |
| 369 | G | 84.4 | Confident | 91.2 | Very high | 69 Ų | 69 | 78.5 Ų | 78.5 | 71% | 0.711 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 21.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | E365 Y366 L367 | E365-G369 PolarHBondContact O-N 3.22Å; Y366-G369 PolarHBondContact O-N 2.98Å; L367-G369 VanDerWaalsContact C-N 3.32Å |
| 370 | K | 87.3 | Confident | 91.6 | Very high | 93 Ų | 93 | 77.4 Ų | 77.4 | 40% | 0.404 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -151.2 | 149.1 | 178.1 | 64.7 | 178.9 | -177.7 | -177.8 | 0 | 111.3 | E365 I368 L372 | E365-K370 WeakPolarHBondContact CB-O 3.4Å; E365-K370 PolarHBondContact O-N 3.13Å; I368-K370 VanDerWaalsContact C-N 3.32Å; I368-K370 HydrophobicContact CD1-CG 3.83Å; I368-K370 HydrophobicContact CG1-CG 3.9Å; I368-K370 PolarHBondContact O-N 3.15Å; K370-L372 HydrophobicContact CG-CD2 4.42Å |
| 371 | Q | 92.5 | Very high | 91.9 | Very high | 164 Ų | 164 | 76.6 Ų | 76.6 | 77% | 0.766 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 137 | 165.7 | -69.7 | 179.3 | -20.4 | 0 | 0 | 109.5 | E365 | E365-Q371 VanDerWaalsContact OE1-CA 3.24Å; E365-Q371 WeakPolarHBondContact OE1-CA 3.39Å |
| 372 | L | 94.2 | Very high | 92 | Very high | 8 Ų | 8 | 76.1 Ų | 76.1 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 143.2 | 175.8 | -54.1 | 179.2 | 0 | 0 | 0 | 109.7 | Q226 Y228 Y361 E365 I368 K370 | Q226-L372 HydrophobicContact CB-CD1 4.2Å; Q226-L372 HydrophobicContact CB-CD2 3.59Å; Q226-L372 HydrophobicContact CB-CG 4.44Å; Y228-L372 HydrophobicContact CD1-CB 4.14Å; Y228-L372 WeakPolarHBondContact CD1-O 3.36Å; Y228-L372 WeakPolarHBondContact CE1-O 3.46Å; Y361-L372 HydrophobicContact CE2-CD1 4.26Å; Y361-L372 WeakPolarHBondContact OH-CB 3.21Å; E365-L372 PolarHBondContact OE1-N 3.46Å; I368-L372 HydrophobicContact CD1-CD1 4.39Å; I368-L372 HydrophobicContact CD1-CD2 3.49Å; I368-L372 VanDerWaalsContact CD1-CD2 3.49Å; I368-L372 HydrophobicContact CD1-CG 3.99Å; K370-L372 HydrophobicContact CG-CD2 4.42Å |
| 373 | P | 96.5 | Very high | 92.2 | Very high | 72 Ų | 72 | 73.7 Ų | 73.7 | 47% | 0.468 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 150.4 | 170.7 | 27.5 | -34.9 | 0 | 0 | 0 | 111.7 | Q226 Y227 Y228 | Q226-P373 VanDerWaalsContact O-CD 3.29Å; Q226-P373 WeakPolarHBondContact O-CD 3.18Å; Q226-P373 WeakPolarHBondContact O-CG 3.14Å; Y227-P373 VanDerWaalsContact CA-O 3.25Å; Y227-P373 WeakPolarHBondContact CA-O 3.32Å; Y227-P373 HydrophobicContact CD1-CB 4.18Å; Y227-P373 HydrophobicContact CD1-CG 3.66Å; Y227-P373 HydrophobicContact CE1-CB 4.43Å; Y227-P373 HydrophobicContact CE1-CG 3.86Å; Y228-P373 WeakPolarHBondContact CD1-O 3.25Å; Y228-P373 PolarHBondContact N-O 3.49Å; Y228-P373 VanDerWaalsContact N-O 3.1Å |
| 374 | L | 97.4 | Very high | 92.7 | Very high | 96 Ų | 96 | 72.3 Ų | 72.3 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -62.4 | 139.9 | 168.4 | -80 | 163.5 | 0 | 0 | 0 | 109.9 | Y228 F230 | Y228-L374 HydrophobicContact CD1-CD2 4.3Å; Y228-L374 HydrophobicContact CD1-CG 4.49Å; Y228-L374 HydrophobicContact CD2-CD2 4.08Å; Y228-L374 HydrophobicContact CE1-CB 4.35Å; Y228-L374 HydrophobicContact CE1-CD2 3.73Å; Y228-L374 HydrophobicContact CE1-CG 3.67Å; Y228-L374 HydrophobicContact CE2-CD2 3.51Å; Y228-L374 HydrophobicContact CE2-CG 4.28Å; Y228-L374 HydrophobicContact CG-CD2 4.46Å; Y228-L374 CarbonylContact O-C 3.51Å; Y228-L374 WeakPolarHBondContact O-CA 3.36Å; Y228-L374 WeakPolarHBondContact OH-CG 3.42Å; F230-L374 HydrophobicContact CB-CD2 4.47Å |
| 375 | Y | 97.6 | Very high | 93 | Very high | 29 Ų | 29 | 73.6 Ų | 73.6 | 11% | 0.114 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 122.2 | 163.6 | -165.2 | -94.9 | 0 | 0 | 0 | 107.9 | Y227 Y228 V229 I243 E246 I350 T377 | Y227-Y375 HydrophobicContact CD1-CD2 4.26Å; Y227-Y375 AromaticContact CD2-CD2 3.88Å; Y227-Y375 HydrophobicContact CD2-CD2 3.88Å; Y227-Y375 HydrophobicContact CD2-CE2 4.43Å; Y227-Y375 HydrophobicContact CE2-CD2 4.5Å; Y227-Y375 AromaticContact CG-CD2 3.76Å; Y227-Y375 HydrophobicContact CG-CD2 3.76Å; Y228-Y375 PolarHBondContact O-N 2.88Å; V229-Y375 HydrophobicContact CG1-CD1 4.42Å; V229-Y375 HydrophobicContact CG1-CG 4.46Å; I243-Y375 HydrophobicContact CD1-CD1 4.45Å; I243-Y375 HydrophobicContact CG1-CD1 4.49Å; I243-Y375 HydrophobicContact CG1-CE1 4.25Å; E246-Y375 PolarHBondContact OE1-OH 2.86Å; I350-Y375 HydrophobicContact CD1-CD1 4.26Å; I350-Y375 HydrophobicContact CD1-CD2 3.64Å; I350-Y375 HydrophobicContact CD1-CE1 4.15Å; I350-Y375 HydrophobicContact CD1-CE2 3.47Å; I350-Y375 VanDerWaalsContact CD1-CE2 3.47Å; I350-Y375 HydrophobicContact CD1-CG 4.02Å; I350-Y375 HydrophobicContact CG1-CD2 3.9Å; I350-Y375 HydrophobicContact CG1-CE2 4.13Å; I350-Y375 HydrophobicContact CG1-CG 4.37Å; Y375-T377 HydrophobicContact CD1-CG2 3.87Å; Y375-T377 HydrophobicContact CE1-CG2 4.47Å |
| 376 | E | 95.2 | Very high | 93.3 | Very high | 179 Ų | 179 | 74.8 Ų | 74.8 | 84% | 0.836 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 132.4 | 178.9 | -66.7 | -179.7 | 177.9 | 0 | 0 | 110.4 | ||
| 377 | T | 95.3 | Very high | 94 | Very high | 47 Ų | 47 | 73.1 Ų | 73.1 | 29% | 0.288 | 40% | 0.402 | S | S | . | . | trans | -140.1 | 143.7 | 179.1 | 55.8 | 0 | 0 | 0 | 0 | 110 | V229 Y239 Y242 Y375 E379 | V229-T377 HydrophobicContact CG1-CG2 4.15Å; Y239-T377 HydrophobicContact CD1-CG2 4.22Å; Y239-T377 HydrophobicContact CE1-CG2 4.17Å; Y242-T377 HydrophobicContact CD1-CG2 4.4Å; Y242-T377 HydrophobicContact CE1-CG2 4.15Å; Y375-T377 HydrophobicContact CD1-CG2 3.87Å; Y375-T377 HydrophobicContact CE1-CG2 4.47Å; T377-E379 PolarHBondContact O-N 2.87Å | ||
| 378 | D | 95 | Very high | 94.7 | Very high | 83 Ų | 83 | 78.1 Ų | 78.1 | 44% | 0.444 | 42% | 0.417 | S | S | . | . | trans | -87 | 98.5 | 171.9 | 178.7 | -7.2 | 0 | 0 | 0 | 109.9 | P380 A381 V382 | D378-P380 WeakPolarHBondContact OD1-CD 3.35Å; D378-A381 HydrophobicContact CB-CB 3.84Å; D378-A381 WeakPolarHBondContact O-CB 3.43Å; D378-A381 PolarHBondContact O-N 2.71Å; D378-A381 VanDerWaalsContact O-N 3.1Å; D378-A381 PolarHBondContact OD1-N 2.59Å; D378-A381 WeakPolarHBondContact OD2-CB 3.44Å; D378-V382 VanDerWaalsContact O-CG2 3.26Å; D378-V382 WeakPolarHBondContact O-CG2 3.42Å; D378-V382 PolarHBondContact O-N 3.3Å | ||
| 379 | E | 94.6 | Very high | 95.4 | Very high | 100 Ų | 100 | 77.4 Ų | 77.4 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.2 | -49 | -177.8 | 176.7 | 175.6 | -169.9 | 0 | 0 | 113.2 | T377 A381 V382 L383 | T377-E379 PolarHBondContact O-N 2.87Å; E379-A381 VanDerWaalsContact C-N 3.29Å; E379-A381 PolarHBondContact O-N 3.23Å; E379-V382 WeakPolarHBondContact O-CB 3.46Å; E379-V382 PolarHBondContact O-N 2.99Å; E379-V382 VanDerWaalsContact O-N 3.07Å; E379-L383 HydrophobicContact CG-CD1 3.95Å; E379-L383 HydrophobicContact CG-CG 4.17Å; E379-L383 WeakPolarHBondContact O-CG 3.31Å; E379-L383 PolarHBondContact O-N 3.38Å |
| 380 | P | 96.7 | Very high | 96 | Very high | 96 Ų | 96 | 77.9 Ų | 77.9 | 62% | 0.623 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -49.2 | -45.8 | 170.1 | -29.9 | 32.2 | 0 | 0 | 0 | 114.2 | D378 L383 S384 | D378-P380 WeakPolarHBondContact OD1-CD 3.35Å; P380-L383 PolarHBondContact O-N 3.4Å; P380-S384 PolarHBondContact O-N 2.88Å |
| 381 | A | 96.5 | Very high | 96.5 | Very high | 31 Ų | 31 | 76.9 Ų | 76.9 | 26% | 0.256 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y242 D378 E379 S384 | Y242-A381 HydrophobicContact CD2-CB 4.43Å; Y242-A381 HydrophobicContact CE2-CB 3.82Å; D378-A381 HydrophobicContact CB-CB 3.84Å; D378-A381 WeakPolarHBondContact O-CB 3.43Å; D378-A381 PolarHBondContact O-N 2.71Å; D378-A381 VanDerWaalsContact O-N 3.1Å; D378-A381 PolarHBondContact OD1-N 2.59Å; D378-A381 WeakPolarHBondContact OD2-CB 3.44Å; E379-A381 VanDerWaalsContact C-N 3.29Å; E379-A381 PolarHBondContact O-N 3.23Å; A381-S384 WeakPolarHBondContact O-CB 3.38Å; A381-S384 PolarHBondContact O-N 3.08Å; A381-S384 PolarHBondContact O-OG 3.24Å |
| 382 | V | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 173.7 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | C238 Y239 Y242 D378 E379 S384 L385 | C238-V382 HydrophobicContact CB-CG1 3.68Å; Y239-V382 HydrophobicContact CD1-CG1 4.21Å; Y239-V382 HydrophobicContact CD1-CG2 4.01Å; Y239-V382 HydrophobicContact CD2-CG1 3.65Å; Y239-V382 HydrophobicContact CE1-CB 4.45Å; Y239-V382 HydrophobicContact CE1-CG1 4.29Å; Y239-V382 HydrophobicContact CE1-CG2 3.79Å; Y239-V382 HydrophobicContact CE2-CB 4.42Å; Y239-V382 HydrophobicContact CE2-CG1 3.74Å; Y239-V382 HydrophobicContact CG-CG1 3.9Å; Y242-V382 HydrophobicContact CD1-CG2 3.93Å; Y242-V382 HydrophobicContact CD2-CG2 3.73Å; Y242-V382 HydrophobicContact CE1-CG2 4.42Å; Y242-V382 HydrophobicContact CE2-CG2 4.2Å; Y242-V382 HydrophobicContact CG-CG2 3.58Å; D378-V382 VanDerWaalsContact O-CG2 3.26Å; D378-V382 WeakPolarHBondContact O-CG2 3.42Å; D378-V382 PolarHBondContact O-N 3.3Å; E379-V382 WeakPolarHBondContact O-CB 3.46Å; E379-V382 PolarHBondContact O-N 2.99Å; E379-V382 VanDerWaalsContact O-N 3.07Å; V382-S384 VanDerWaalsContact C-N 3.26Å; V382-S384 PolarHBondContact O-N 3.06Å; V382-L385 WeakPolarHBondContact O-CB 3.42Å; V382-L385 PolarHBondContact O-N 3.42Å; V382-L385 VanDerWaalsContact O-N 3.09Å |
| 383 | L | 96.2 | Very high | 97 | Very high | 61 Ų | 61 | 69.7 Ų | 69.7 | 32% | 0.319 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.3 | -26.5 | -177.2 | -66.4 | -179.9 | 0 | 0 | 0 | 112.4 | Y235 E379 P380 L385 L386 | Y235-L383 HydrophobicContact CD1-CD2 4.02Å; Y235-L383 HydrophobicContact CD2-CD2 4.43Å; Y235-L383 HydrophobicContact CE1-CD2 4.03Å; Y235-L383 HydrophobicContact CE2-CD2 4.43Å; Y235-L383 HydrophobicContact CG-CD2 4.24Å; E379-L383 HydrophobicContact CG-CD1 3.95Å; E379-L383 HydrophobicContact CG-CG 4.17Å; E379-L383 WeakPolarHBondContact O-CG 3.31Å; E379-L383 PolarHBondContact O-N 3.38Å; P380-L383 PolarHBondContact O-N 3.4Å; L383-L385 PolarHBondContact O-N 3.03Å; L383-L385 VanDerWaalsContact O-N 3.16Å; L383-L386 WeakPolarHBondContact O-CB 3.24Å; L383-L386 PolarHBondContact O-N 2.79Å |
| 384 | S | 97.3 | Very high | 97.1 | Very high | 92 Ų | 92 | 73.1 Ų | 73.1 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.7 | -22.8 | 171.5 | 81.6 | 0 | 0 | 0 | 0 | 113.4 | P380 A381 V382 | P380-S384 PolarHBondContact O-N 2.88Å; A381-S384 WeakPolarHBondContact O-CB 3.38Å; A381-S384 PolarHBondContact O-N 3.08Å; A381-S384 PolarHBondContact O-OG 3.24Å; V382-S384 VanDerWaalsContact C-N 3.26Å; V382-S384 PolarHBondContact O-N 3.06Å |
| 385 | L | 97.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 71.8 Ų | 71.8 | 15% | 0.152 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.1 | 178 | -57.1 | 172.4 | 0 | 0 | 0 | 113 | V241 Y242 V382 L383 E387 R388 V389 | V241-L385 HydrophobicContact CG1-CD1 4.13Å; Y242-L385 HydrophobicContact CD2-CD1 4.47Å; V382-L385 WeakPolarHBondContact O-CB 3.42Å; V382-L385 PolarHBondContact O-N 3.42Å; V382-L385 VanDerWaalsContact O-N 3.09Å; L383-L385 PolarHBondContact O-N 3.03Å; L383-L385 VanDerWaalsContact O-N 3.16Å; L385-E387 PolarHBondContact O-N 3.43Å; L385-R388 PolarHBondContact O-N 3.47Å; L385-V389 HydrophobicContact CB-CG2 4.08Å; L385-V389 WeakPolarHBondContact O-CB 3.35Å; L385-V389 VanDerWaalsContact O-CG2 3.28Å; L385-V389 WeakPolarHBondContact O-CG2 3.49Å; L385-V389 PolarHBondContact O-N 3.47Å |
| 386 | L | 97.7 | Very high | 97.1 | Very high | 52 Ų | 52 | 70.4 Ų | 70.4 | 27% | 0.272 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.1 | -45.6 | -166.6 | -180 | 61.1 | 0 | 0 | 0 | 113.2 | Y235 L383 T390 | Y235-L386 HydrophobicContact CD1-CD1 4.02Å; Y235-L386 HydrophobicContact CE1-CD1 4.11Å; Y235-L386 HydrophobicContact CE1-CD2 4.12Å; L383-L386 WeakPolarHBondContact O-CB 3.24Å; L383-L386 PolarHBondContact O-N 2.79Å; L386-T390 VanDerWaalsContact O-CB 3.24Å; L386-T390 WeakPolarHBondContact O-CB 3.13Å; L386-T390 PolarHBondContact O-N 3.42Å; L386-T390 PolarHBondContact O-OG1 2.93Å |
| 387 | E | 97.6 | Very high | 97.2 | Very high | 170 Ų | 170 | 69.8 Ų | 69.8 | 79% | 0.794 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63 | -50.4 | -179.4 | -65.3 | -174.7 | 167.8 | 0 | 0 | 111.2 | L385 V389 T390 E391 | L385-E387 PolarHBondContact O-N 3.43Å; E387-V389 VanDerWaalsContact C-N 3.35Å; E387-V389 PolarHBondContact O-N 3.21Å; E387-T390 PolarHBondContact O-N 2.96Å; E387-E391 PolarHBondContact O-N 3.24Å |
| 388 | R | 97.8 | Very high | 97.3 | Very high | 151 Ų | 151 | 72.5 Ų | 72.5 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | -179.6 | -171.7 | -176.3 | 166.1 | -177 | -5.9 | 111.7 | L272 L385 E391 A392 | L272-R388 HydrophobicContact CD2-CG 3.62Å; L272-R388 PolarHBondContact O-NH2 2.76Å; L385-R388 PolarHBondContact O-N 3.47Å; R388-E391 PolarHBondContact O-N 3.48Å; R388-A392 WeakPolarHBondContact O-CB 3.42Å; R388-A392 PolarHBondContact O-N 3.27Å |
| 389 | V | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.4 | -38.6 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | D237 V241 L268 L272 L385 E387 A392 N393 | D237-V389 HydrophobicContact CB-CG1 3.67Å; V241-V389 HydrophobicContact CB-CG2 4.17Å; V241-V389 HydrophobicContact CG1-CG2 4.3Å; V241-V389 HydrophobicContact CG2-CG2 4.01Å; L268-V389 HydrophobicContact CD1-CG1 4.25Å; L272-V389 HydrophobicContact CD1-CG2 4.2Å; L385-V389 HydrophobicContact CB-CG2 4.08Å; L385-V389 WeakPolarHBondContact O-CB 3.35Å; L385-V389 VanDerWaalsContact O-CG2 3.28Å; L385-V389 WeakPolarHBondContact O-CG2 3.49Å; L385-V389 PolarHBondContact O-N 3.47Å; E387-V389 VanDerWaalsContact C-N 3.35Å; E387-V389 PolarHBondContact O-N 3.21Å; V389-A392 PolarHBondContact O-N 3.25Å; V389-N393 WeakPolarHBondContact O-CB 3.28Å; V389-N393 PolarHBondContact O-N 3.42Å |
| 390 | T | 98.1 | Very high | 97.5 | Very high | 80 Ų | 80 | 67.6 Ų | 67.6 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 176.2 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | L386 E387 N393 R394 | L386-T390 VanDerWaalsContact O-CB 3.24Å; L386-T390 WeakPolarHBondContact O-CB 3.13Å; L386-T390 PolarHBondContact O-N 3.42Å; L386-T390 PolarHBondContact O-OG1 2.93Å; E387-T390 PolarHBondContact O-N 2.96Å; T390-N393 VanDerWaalsContact O-CB 3.28Å; T390-N393 WeakPolarHBondContact O-CB 3.47Å; T390-N393 PolarHBondContact O-N 3.31Å; T390-R394 PolarHBondContact O-N 3.39Å |
| 391 | E | 98.4 | Very high | 97.4 | Very high | 72 Ų | 72 | 69.2 Ų | 69.2 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.5 | 179 | 53.7 | -158.7 | 0 | 0 | 112 | E387 R388 N393 R394 L395 | E387-E391 PolarHBondContact O-N 3.24Å; R388-E391 PolarHBondContact O-N 3.48Å; E391-N393 PolarHBondContact O-N 2.89Å; E391-R394 VanDerWaalsContact CD-NH2 3.26Å; E391-R394 WeakPolarHBondContact O-CB 3.41Å; E391-R394 PolarHBondContact O-N 2.77Å; E391-R394 IonicContact OE1-CZ 2.78Å; E391-R394 IonicContact OE1-NE 3.48Å; E391-R394 PolarHBondContact OE1-NE 3.44Å; E391-R394 IonicContact OE1-NH2 3.64Å; E391-R394 PolarHBondContact OE1-NH2 2.65Å; E391-R394 IonicContact OE2-CZ 3.67Å; E391-R394 IonicContact OE2-NE 3.73Å; E391-R394 PolarHBondContact OE2-NE 2.53Å; E391-R394 IonicContact OE2-NH2 3.82Å; E391-R394 PolarHBondContact OE2-NH2 2.84Å; E391-R394 VanDerWaalsContact OE2-NH2 3.09Å; E391-L395 WeakPolarHBondContact O-CG 3.26Å; E391-L395 PolarHBondContact O-N 3.2Å |
| 392 | A | 98.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 72.3 Ų | 72.3 | 3% | 0.033 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -35.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L268 N271 L272 R388 V389 A396 | L268-A392 HydrophobicContact CG-CB 4.23Å; N271-A392 HydrophobicContact CB-CB 4.04Å; N271-A392 PolarHBondContact ND2-O 3.34Å; L272-A392 HydrophobicContact CD1-CB 4.15Å; L272-A392 HydrophobicContact CD2-CB 3.59Å; L272-A392 HydrophobicContact CG-CB 3.61Å; R388-A392 WeakPolarHBondContact O-CB 3.42Å; R388-A392 PolarHBondContact O-N 3.27Å; V389-A392 PolarHBondContact O-N 3.25Å; A392-A396 WeakPolarHBondContact O-CB 3.49Å; A392-A396 PolarHBondContact O-N 2.96Å |
| 393 | N | 97.9 | Very high | 97 | Very high | 17 Ų | 17 | 76 Ų | 76 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 172.6 | -108.4 | -46.4 | 0 | 0 | 0 | 112.5 | D237 R264 L268 V389 T390 E391 A396 R397 | D237-N393 PolarHBondContact OD2-ND2 2.94Å; R264-N393 PolarHBondContact NH1-OD1 3Å; L268-N393 HydrophobicContact CD1-CB 4Å; L268-N393 WeakPolarHBondContact CD1-ND2 3.31Å; L268-N393 VanDerWaalsContact CD1-OD1 3.32Å; L268-N393 WeakPolarHBondContact CD1-OD1 3.25Å; V389-N393 WeakPolarHBondContact O-CB 3.28Å; V389-N393 PolarHBondContact O-N 3.42Å; T390-N393 VanDerWaalsContact O-CB 3.28Å; T390-N393 WeakPolarHBondContact O-CB 3.47Å; T390-N393 PolarHBondContact O-N 3.31Å; E391-N393 PolarHBondContact O-N 2.89Å; N393-A396 PolarHBondContact O-N 2.94Å; N393-R397 WeakPolarHBondContact O-CG 3.26Å; N393-R397 PolarHBondContact O-N 3.4Å |
| 394 | R | 98.2 | Very high | 96.6 | Very high | 144 Ų | 144 | 78.7 Ų | 78.7 | 54% | 0.543 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 176.2 | -173.4 | -179 | 72.5 | 147 | 4.7 | 110.5 | T390 E391 A396 R397 M398 | T390-R394 PolarHBondContact O-N 3.39Å; E391-R394 VanDerWaalsContact CD-NH2 3.26Å; E391-R394 WeakPolarHBondContact O-CB 3.41Å; E391-R394 PolarHBondContact O-N 2.77Å; E391-R394 IonicContact OE1-CZ 2.78Å; E391-R394 IonicContact OE1-NE 3.48Å; E391-R394 PolarHBondContact OE1-NE 3.44Å; E391-R394 IonicContact OE1-NH2 3.64Å; E391-R394 PolarHBondContact OE1-NH2 2.65Å; E391-R394 IonicContact OE2-CZ 3.67Å; E391-R394 IonicContact OE2-NE 3.73Å; E391-R394 PolarHBondContact OE2-NE 2.53Å; E391-R394 IonicContact OE2-NH2 3.82Å; E391-R394 PolarHBondContact OE2-NH2 2.84Å; E391-R394 VanDerWaalsContact OE2-NH2 3.09Å; R394-A396 PolarHBondContact O-N 3.1Å; R394-R397 PolarHBondContact O-N 3.35Å; R394-M398 WeakPolarHBondContact O-CG 3.36Å; R394-M398 PolarHBondContact O-N 3.06Å; R394-M398 VanDerWaalsContact O-N 3.08Å |
| 395 | L | 98.3 | Very high | 96.3 | Very high | 68 Ų | 68 | 78.1 Ų | 78.1 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 177.2 | -65.7 | 175.5 | 0 | 0 | 0 | 112.2 | N271 E391 R397 M398 Q399 | N271-L395 WeakPolarHBondContact ND2-CB 3.33Å; E391-L395 WeakPolarHBondContact O-CG 3.26Å; E391-L395 PolarHBondContact O-N 3.2Å; L395-R397 VanDerWaalsContact C-N 3.35Å; L395-R397 PolarHBondContact O-N 2.69Å; L395-M398 PolarHBondContact O-N 3.43Å; L395-Q399 WeakPolarHBondContact O-CG 3.32Å; L395-Q399 PolarHBondContact O-N 2.85Å |
| 396 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L267 L268 N271 A392 N393 R394 Q399 M400 | L267-A396 HydrophobicContact CB-CB 3.78Å; L268-A396 HydrophobicContact CB-CB 4.25Å; N271-A396 PolarHBondContact ND2-N 3.46Å; A392-A396 WeakPolarHBondContact O-CB 3.49Å; A392-A396 PolarHBondContact O-N 2.96Å; N393-A396 PolarHBondContact O-N 2.94Å; R394-A396 PolarHBondContact O-N 3.1Å; A396-Q399 PolarHBondContact O-N 3.27Å; A396-M400 VanDerWaalsContact O-CG 3.3Å; A396-M400 WeakPolarHBondContact O-CG 3.46Å; A396-M400 PolarHBondContact O-N 2.9Å |
| 397 | R | 97.3 | Very high | 95.2 | Very high | 165 Ų | 165 | 86.2 Ų | 86.2 | 62% | 0.623 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.2 | -39.8 | 177.3 | -72.6 | 176.3 | 178.6 | 158.4 | 1.5 | 112.5 | N393 R394 L395 M400 K401 | N393-R397 WeakPolarHBondContact O-CG 3.26Å; N393-R397 PolarHBondContact O-N 3.4Å; R394-R397 PolarHBondContact O-N 3.35Å; L395-R397 VanDerWaalsContact C-N 3.35Å; L395-R397 PolarHBondContact O-N 2.69Å; R397-M400 PolarHBondContact O-N 3.34Å; R397-K401 PolarHBondContact O-N 2.9Å |
| 398 | M | 97.4 | Very high | 94.4 | Very high | 104 Ų | 104 | 80.9 Ų | 80.9 | 51% | 0.512 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 174.8 | -70.5 | 177.1 | 64.6 | 0 | 0 | 111.4 | R394 L395 M400 K401 E402 | R394-M398 WeakPolarHBondContact O-CG 3.36Å; R394-M398 PolarHBondContact O-N 3.06Å; R394-M398 VanDerWaalsContact O-N 3.08Å; L395-M398 PolarHBondContact O-N 3.43Å; M398-M400 VanDerWaalsContact C-N 3.28Å; M398-M400 PolarHBondContact O-N 3.29Å; M398-K401 PolarHBondContact O-N 3.25Å; M398-E402 PolarHBondContact O-N 3.16Å |
| 399 | Q | 97.3 | Very high | 93.7 | Very high | 65 Ų | 65 | 81.8 Ų | 81.8 | 30% | 0.304 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.1 | -39.2 | 176.5 | -71.4 | 168.8 | -22.1 | 0 | 0 | 112.2 | L267 N271 L395 A396 E402 L403 | L267-Q399 HydrophobicContact CD1-CB 4.12Å; N271-Q399 PolarHBondContact ND2-OE1 3Å; N271-Q399 PolarHBondContact OD1-NE2 3.35Å; L395-Q399 WeakPolarHBondContact O-CG 3.32Å; L395-Q399 PolarHBondContact O-N 2.85Å; A396-Q399 PolarHBondContact O-N 3.27Å; Q399-E402 PolarHBondContact O-N 3.09Å; Q399-L403 VanDerWaalsContact O-CG 3.31Å; Q399-L403 WeakPolarHBondContact O-CG 3.25Å; Q399-L403 PolarHBondContact O-N 2.84Å |
| 400 | M | 95.5 | Very high | 92.8 | Very high | 16 Ų | 16 | 90.8 Ų | 90.8 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 176.2 | -74.1 | -169.2 | 62.7 | 0 | 0 | 112.5 | N260 L263 R264 L267 A396 R397 M398 E402 L403 E404 | N260-M400 WeakPolarHBondContact OD1-CE 3.08Å; L263-M400 HydrophobicContact CB-CE 4.41Å; L263-M400 HydrophobicContact CD2-CE 3.96Å; L263-M400 HydrophobicContact CD2-CG 4.35Å; L263-M400 HydrophobicContact CG-CE 4.27Å; L263-M400 HydrophobicContact CG-CG 4.37Å; L263-M400 HydrophobicContact CG-SD 4.34Å; R264-M400 HydrophobicContact CB-SD 3.63Å; R264-M400 HydrophobicContact CG-SD 4.24Å; L267-M400 HydrophobicContact CD1-CG 3.58Å; A396-M400 VanDerWaalsContact O-CG 3.3Å; A396-M400 WeakPolarHBondContact O-CG 3.46Å; A396-M400 PolarHBondContact O-N 2.9Å; R397-M400 PolarHBondContact O-N 3.34Å; M398-M400 VanDerWaalsContact C-N 3.28Å; M398-M400 PolarHBondContact O-N 3.29Å; M400-E402 VanDerWaalsContact C-N 3.32Å; M400-E402 PolarHBondContact O-N 3.09Å; M400-L403 WeakPolarHBondContact O-CB 3.33Å; M400-L403 PolarHBondContact O-N 2.89Å; M400-L403 VanDerWaalsContact O-N 3.13Å; M400-E404 PolarHBondContact O-N 3.1Å |
| 401 | K | 94.2 | Very high | 91.7 | Very high | 130 Ų | 130 | 93.3 Ų | 93.3 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -59.7 | -43 | 176.6 | -171.5 | 179.7 | 177.5 | -175.8 | 0 | 111.5 | R397 M398 L403 E404 E405 | R397-K401 PolarHBondContact O-N 2.9Å; M398-K401 PolarHBondContact O-N 3.25Å; K401-L403 VanDerWaalsContact C-N 3.33Å; K401-L403 PolarHBondContact O-N 3.28Å; K401-E404 PolarHBondContact O-N 2.92Å; K401-E405 WeakPolarHBondContact CE-OE1 3.33Å; K401-E405 WeakPolarHBondContact O-CG 3.34Å; K401-E405 PolarHBondContact O-N 2.9Å |
| 402 | E | 94 | Very high | 90.5 | Very high | 95 Ų | 95 | 97.8 Ų | 97.8 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.1 | -71.1 | -178.1 | -162.9 | 0 | 0 | 113.2 | M398 Q399 M400 E404 E405 K406 | M398-E402 PolarHBondContact O-N 3.16Å; Q399-E402 PolarHBondContact O-N 3.09Å; M400-E402 VanDerWaalsContact C-N 3.32Å; M400-E402 PolarHBondContact O-N 3.09Å; E402-E404 VanDerWaalsContact C-N 3.33Å; E402-E405 PolarHBondContact O-N 2.86Å; E402-K406 WeakPolarHBondContact O-CB 3.24Å; E402-K406 VanDerWaalsContact O-CG 3.25Å; E402-K406 WeakPolarHBondContact O-CG 3.48Å; E402-K406 PolarHBondContact O-N 3.39Å; E402-K406 IonicContact OE2-NZ 3.84Å |
| 403 | L | 90.9 | Very high | 89.2 | Confident | 77 Ų | 77 | 105.7 Ų | 105.7 | 40% | 0.403 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 176.7 | -73.5 | 170.3 | 0 | 0 | 0 | 111.5 | L263 Q399 M400 K401 K407 | L263-L403 HydrophobicContact CD2-CD1 4.48Å; Q399-L403 VanDerWaalsContact O-CG 3.31Å; Q399-L403 WeakPolarHBondContact O-CG 3.25Å; Q399-L403 PolarHBondContact O-N 2.84Å; M400-L403 WeakPolarHBondContact O-CB 3.33Å; M400-L403 PolarHBondContact O-N 2.89Å; M400-L403 VanDerWaalsContact O-N 3.13Å; K401-L403 VanDerWaalsContact C-N 3.33Å; K401-L403 PolarHBondContact O-N 3.28Å; L403-K407 WeakPolarHBondContact O-CG 3.45Å; L403-K407 PolarHBondContact O-N 3.4Å; L403-K407 VanDerWaalsContact O-N 3.1Å |
| 404 | E | 88.9 | Confident | 87.4 | Confident | 118 Ų | 118 | 115.1 Ų | 115.1 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.8 | -44.6 | 175.6 | -70.7 | 177.3 | 176.3 | 0 | 0 | 111.9 | M400 K401 E402 K406 K407 S408 | M400-E404 PolarHBondContact O-N 3.1Å; K401-E404 PolarHBondContact O-N 2.92Å; E402-E404 VanDerWaalsContact C-N 3.33Å; E404-K406 VanDerWaalsContact C-N 3.33Å; E404-K406 PolarHBondContact O-N 2.7Å; E404-K407 WeakPolarHBondContact O-CB 3.49Å; E404-K407 PolarHBondContact O-N 2.93Å; E404-K407 VanDerWaalsContact O-N 3.14Å; E404-S408 PolarHBondContact O-N 3.41Å |
| 405 | E | 90.4 | Very high | 85.4 | Confident | 81 Ų | 81 | 111.5 Ų | 111.5 | 38% | 0.379 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 175.5 | -71.7 | 178.6 | -167.4 | 0 | 0 | 112.3 | K401 E402 K407 S408 R409 | K401-E405 WeakPolarHBondContact CE-OE1 3.33Å; K401-E405 WeakPolarHBondContact O-CG 3.34Å; K401-E405 PolarHBondContact O-N 2.9Å; E402-E405 PolarHBondContact O-N 2.86Å; E405-K407 VanDerWaalsContact C-N 3.34Å; E405-K407 PolarHBondContact O-N 3.34Å; E405-S408 PolarHBondContact O-N 3.34Å; E405-S408 PolarHBondContact O-OG 3.37Å; E405-R409 WeakPolarHBondContact O-CB 3.36Å; E405-R409 WeakPolarHBondContact O-CG 3.32Å; E405-R409 PolarHBondContact O-N 2.91Å |
| 406 | K | 87.9 | Confident | 83.1 | Confident | 115 Ų | 115 | 117.3 Ų | 117.3 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -38 | 174 | -76.1 | 167.7 | -176.7 | 161.4 | 0 | 111.6 | E402 E404 R410 | E402-K406 WeakPolarHBondContact O-CB 3.24Å; E402-K406 VanDerWaalsContact O-CG 3.25Å; E402-K406 WeakPolarHBondContact O-CG 3.48Å; E402-K406 PolarHBondContact O-N 3.39Å; E402-K406 IonicContact OE2-NZ 3.84Å; E404-K406 VanDerWaalsContact C-N 3.33Å; E404-K406 PolarHBondContact O-N 2.7Å; K406-R410 WeakPolarHBondContact O-CG 3.12Å; K406-R410 PolarHBondContact O-N 3.03Å; K406-R410 VanDerWaalsContact O-N 3.12Å |
| 407 | K | 83.9 | Confident | 80.5 | Confident | 135 Ų | 135 | 120.6 Ų | 120.6 | 59% | 0.587 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.1 | -44.9 | 174.7 | -76 | 177.1 | 179.8 | -177.8 | 0 | 111.6 | L403 E404 E405 R410 K411 | L403-K407 WeakPolarHBondContact O-CG 3.45Å; L403-K407 PolarHBondContact O-N 3.4Å; L403-K407 VanDerWaalsContact O-N 3.1Å; E404-K407 WeakPolarHBondContact O-CB 3.49Å; E404-K407 PolarHBondContact O-N 2.93Å; E404-K407 VanDerWaalsContact O-N 3.14Å; E405-K407 VanDerWaalsContact C-N 3.34Å; E405-K407 PolarHBondContact O-N 3.34Å; K407-R410 PolarHBondContact O-N 2.97Å; K407-K411 PolarHBondContact O-N 2.91Å |
| 408 | S | 81.9 | Confident | 77.7 | Confident | 58 Ų | 58 | 116.9 Ų | 116.9 | 41% | 0.406 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.5 | -39.9 | -179.9 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | E404 E405 R410 K411 K412 | E404-S408 PolarHBondContact O-N 3.41Å; E405-S408 PolarHBondContact O-N 3.34Å; E405-S408 PolarHBondContact O-OG 3.37Å; S408-R410 VanDerWaalsContact C-N 3.34Å; S408-R410 PolarHBondContact O-N 3.02Å; S408-K411 PolarHBondContact O-N 2.99Å; S408-K412 PolarHBondContact O-N 3.45Å |
| 409 | R | 82.6 | Confident | 74.9 | Confident | 171 Ų | 171 | 119.9 Ų | 119.9 | 65% | 0.645 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.5 | -38 | 172.6 | -73.3 | 179.5 | -179.2 | -173 | 2.7 | 112.5 | E405 K412 K413 | E405-R409 WeakPolarHBondContact O-CB 3.36Å; E405-R409 WeakPolarHBondContact O-CG 3.32Å; E405-R409 PolarHBondContact O-N 2.91Å; R409-K412 PolarHBondContact O-N 2.61Å; R409-K413 PolarHBondContact O-N 3.15Å |
| 410 | R | 78.8 | Confident | 71.8 | Confident | 191 Ų | 191 | 123.7 Ų | 123.7 | 72% | 0.721 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68 | -42.1 | 174.9 | -77.7 | 179.1 | 175.8 | -174.1 | -1.6 | 112.5 | K406 K407 S408 K413 R414 | K406-R410 WeakPolarHBondContact O-CG 3.12Å; K406-R410 PolarHBondContact O-N 3.03Å; K406-R410 VanDerWaalsContact O-N 3.12Å; K407-R410 PolarHBondContact O-N 2.97Å; S408-R410 VanDerWaalsContact C-N 3.34Å; S408-R410 PolarHBondContact O-N 3.02Å; R410-K413 PolarHBondContact O-N 3.28Å; R410-R414 PolarHBondContact O-N 2.95Å |
| 411 | K | 75.9 | Confident | 68.6 | Low | 134 Ų | 134 | 131.8 Ų | 131.8 | 58% | 0.583 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.5 | -45 | 172.2 | -80 | -166 | 171.1 | -166.3 | 0 | 110.7 | K407 S408 R414 G415 D428 | K407-K411 PolarHBondContact O-N 2.91Å; S408-K411 PolarHBondContact O-N 2.99Å; K411-R414 PolarHBondContact O-N 3.15Å; K411-G415 PolarHBondContact O-N 3.39Å; K411-D428 IonicContact NZ-OD1 3.38Å; K411-D428 PolarHBondContact NZ-OD1 3.37Å; K411-D428 IonicContact NZ-OD2 3.52Å; K411-D428 PolarHBondContact NZ-OD2 2.88Å; K411-D428 VanDerWaalsContact NZ-OD2 3.08Å |
| 412 | K | 73.3 | Confident | 65.6 | Low | 166 Ų | 166 | 133.2 Ų | 133.2 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.3 | -39.3 | 176.6 | -75.5 | -174.4 | 179.2 | -176.5 | 0 | 114.2 | S408 R409 G415 K416 | S408-K412 PolarHBondContact O-N 3.45Å; R409-K412 PolarHBondContact O-N 2.61Å; K412-G415 PolarHBondContact O-N 3.35Å; K412-K416 WeakPolarHBondContact O-CB 3.48Å; K412-K416 PolarHBondContact O-N 3.31Å |
| 413 | K | 69.6 | Low | 62.6 | Low | 170 Ų | 170 | 138.1 Ų | 138.1 | 74% | 0.739 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.6 | -36.8 | 176.5 | -79.8 | -169.2 | 175.9 | -168.6 | 0 | 112.5 | R409 R410 K416 | R409-K413 PolarHBondContact O-N 3.15Å; R410-K413 PolarHBondContact O-N 3.28Å; K413-K416 PolarHBondContact O-N 2.9Å |
| 414 | R | 61.5 | Low | 59.8 | Low | 214 Ų | 214 | 143.8 Ų | 143.8 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -66.2 | -38.7 | 174.1 | -79.8 | -175.7 | 150.6 | -177.6 | -10.1 | 112.2 | R410 K411 K416 | R410-R414 PolarHBondContact O-N 2.95Å; K411-R414 PolarHBondContact O-N 3.15Å; R414-K416 PolarHBondContact O-N 3.1Å |
| 415 | G | 55 | Low | 57.1 | Low | 69 Ų | 69 | 141.9 Ų | 141.9 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 1.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K411 K412 | K411-G415 PolarHBondContact O-N 3.39Å; K412-G415 PolarHBondContact O-N 3.35Å |
| 416 | K | 50.8 | Low | 54.3 | Low | 190 Ų | 190 | 146.8 Ų | 146.8 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 8.7 | -177.2 | -145.6 | -177.6 | -175 | -174 | 0 | 113.3 | K412 K413 R414 | K412-K416 WeakPolarHBondContact O-CB 3.48Å; K412-K416 PolarHBondContact O-N 3.31Å; K413-K416 PolarHBondContact O-N 2.9Å; R414-K416 PolarHBondContact O-N 3.1Å |
| 417 | G | 42.7 | Very low | 51.5 | Low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -127.3 | 18.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 418 | S | 39.2 | Very low | 49.1 | Very low | 86 Ų | 86 | 144 Ų | 144 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | trans | -140.5 | 77 | 171.4 | 64.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 419 | D | 37.6 | Very low | 46.9 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -92.3 | 12.2 | 156.9 | -79.9 | -27.1 | 0 | 0 | 0 | 110.8 | ||||
| 420 | D | 32.2 | Very low | 44.5 | Very low | 146 Ų | 146 | 148.5 Ų | 148.5 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -110 | 106.9 | 170.8 | -64.8 | -34.8 | 0 | 0 | 0 | 109 | ||
| 421 | E | 30 | Very low | 42.4 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 45.8 | 111.2 | 153.7 | -61.3 | -179.3 | 172.5 | 0 | 0 | 119.5 | ||
| 422 | D | 30.6 | Very low | 40.6 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | 45.3 | 83.6 | 149.2 | -64.2 | -22.4 | 0 | 0 | 0 | 119 | ||||
| 423 | E | 29.8 | Very low | 39.2 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -147.3 | 119.7 | 145.5 | -113.7 | 174.5 | -159.3 | 0 | 0 | 111.6 | G425 | E423-G425 PolarHBondContact O-N 2.86Š| ||
| 424 | Q | 33.2 | Very low | 37.8 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -59.1 | 130.9 | -174.5 | -73.7 | 168.2 | -1.6 | 0 | 0 | 111.8 | D426 | Q424-D426 PolarHBondContact O-N 2.78Š| ||
| 425 | G | 32.2 | Very low | 37 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -66.5 | 123.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E423 G427 | E423-G425 PolarHBondContact O-N 2.86Å; G425-G427 PolarHBondContact O-N 2.7Å | ||
| 426 | D | 31.3 | Very low | 36.4 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 98% | 0.979 | 76% | 0.763 | S | S | * | * | trans | -75.9 | 92 | 159.9 | -92.4 | -29.6 | 0 | 0 | 0 | 110 | Q424 | Q424-D426 PolarHBondContact O-N 2.78Š| ||
| 427 | G | 30.3 | Very low | 36.1 | Very low | 52 Ų | 52 | 139.9 Ų | 139.9 | 54% | 0.536 | 75% | 0.753 | S | S | . | * | trans | -127.5 | 110.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G425 | G425-G427 PolarHBondContact O-N 2.7Š| ||
| 428 | D | 32.6 | Very low | 36.3 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 47.1 | 74 | 147.8 | -56.5 | -27.1 | 0 | 0 | 0 | 116.5 | K411 | K411-D428 IonicContact NZ-OD1 3.38Å; K411-D428 PolarHBondContact NZ-OD1 3.37Å; K411-D428 IonicContact NZ-OD2 3.52Å; K411-D428 PolarHBondContact NZ-OD2 2.88Å; K411-D428 VanDerWaalsContact NZ-OD2 3.08Å | ||
| 429 | E | 35.6 | Very low | 36.4 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | -101.6 | 76.2 | 165.7 | -64.7 | -154.4 | 152.7 | 0 | 0 | 111.6 | R436 | E429-R436 IonicContact OE1-CZ 2.75Å; E429-R436 IonicContact OE1-NH2 2.73Å; E429-R436 PolarHBondContact OE1-NH2 2.87Å; E429-R436 IonicContact OE2-NH2 3.95Å; E429-R436 PolarHBondContact OE2-NH2 3.07Å | ||
| 430 | E | 31.6 | Very low | 36.7 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -129.5 | 53.8 | 164.5 | -144.7 | 177.5 | -143.1 | 0 | 0 | 109.2 | ||||
| 431 | L | 35.6 | Very low | 37.3 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -141.1 | 123.2 | 165.9 | -75.3 | 176.4 | 0 | 0 | 0 | 110 | ||
| 432 | G | 36.9 | Very low | 37.9 | Very low | 60 Ų | 60 | 144.9 Ų | 144.9 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | trans | -58.4 | 154.7 | -160.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q434 Q435 | G432-Q434 PolarHBondContact O-N 2.64Å; G432-Q435 PolarHBondContact O-N 3.41Å | ||
| 433 | Y | 44.4 | Very low | 38.5 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.6 | -25.5 | 179 | -165.6 | -104.8 | 0 | 0 | 0 | 115.3 | Q435 R436 | Y433-Q435 VanDerWaalsContact C-N 3.32Å; Y433-Q435 PolarHBondContact O-N 3.03Å; Y433-R436 PolarHBondContact O-N 3.35Å |
| 434 | Q | 40.4 | Very low | 38.9 | Very low | 169 Ų | 169 | 152.2 Ų | 152.2 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -65.5 | -26.9 | -179.5 | -74.2 | 173.9 | -9.2 | 0 | 0 | 113.9 | G432 | G432-Q434 PolarHBondContact O-N 2.64Å |
| 435 | Q | 44.6 | Very low | 39.2 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -77.5 | -21 | 175.6 | -77.5 | -174.2 | 8.8 | 0 | 0 | 113.7 | G432 Y433 N438 K439 | G432-Q435 PolarHBondContact O-N 3.41Å; Y433-Q435 VanDerWaalsContact C-N 3.32Å; Y433-Q435 PolarHBondContact O-N 3.03Å; Q435-N438 PolarHBondContact O-N 3.37Å; Q435-K439 PolarHBondContact O-N 3.31Å |
| 436 | R | 42.6 | Very low | 39.6 | Very low | 148 Ų | 148 | 153.8 Ų | 153.8 | 56% | 0.558 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -71.4 | -29.6 | 178.5 | -77.1 | -176.4 | 171.3 | -179.9 | 0.2 | 112.6 | E429 Y433 | E429-R436 IonicContact OE1-CZ 2.75Å; E429-R436 IonicContact OE1-NH2 2.73Å; E429-R436 PolarHBondContact OE1-NH2 2.87Å; E429-R436 IonicContact OE2-NH2 3.95Å; E429-R436 PolarHBondContact OE2-NH2 3.07Å; Y433-R436 PolarHBondContact O-N 3.35Å |
| 437 | L | 45.4 | Very low | 40 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 61% | 0.607 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -70.5 | -36.8 | 175.8 | -82.4 | 160.7 | 0 | 0 | 0 | 112.4 | K440 | L437-K440 PolarHBondContact O-N 3.22Å |
| 438 | N | 45.2 | Very low | 40.6 | Very low | 130 Ų | 130 | 158.1 Ų | 158.1 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -74.5 | -27.1 | -177.9 | -74.6 | -7.1 | 0 | 0 | 0 | 113.4 | Q435 | Q435-N438 PolarHBondContact O-N 3.37Å |
| 439 | K | 43.3 | Very low | 41.1 | Very low | 174 Ų | 174 | 159.3 Ų | 159.3 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -72.5 | -24.7 | 175.9 | -85.2 | -175.6 | 176.3 | 176.3 | 0 | 114 | Q435 | Q435-K439 PolarHBondContact O-N 3.31Å |
| 440 | K | 43 | Very low | 41.5 | Very low | 192 Ų | 192 | 159.2 Ų | 159.2 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -81.8 | -16.8 | 178.3 | -82.7 | -170.1 | 176 | -177.9 | 0 | 114.3 | L437 | L437-K440 PolarHBondContact O-N 3.22Å |
| 441 | K | 45.4 | Very low | 42.2 | Very low | 202 Ų | 202 | 158.9 Ų | 158.9 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 2.3 | 175.2 | -75.2 | -168.8 | 174.4 | -175.5 | 0 | 114.7 | ||
| 442 | G | 41.4 | Very low | 42.7 | Very low | 60 Ų | 60 | 159.3 Ų | 159.3 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -112.8 | -0.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K444 | G442-K444 PolarHBondContact O-N 3.41Š|
| 443 | R | 43 | Very low | 43.2 | Very low | 233 Ų | 233 | 167.6 Ų | 167.6 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -91.2 | 106.6 | 169.8 | -86 | -176.7 | 166.6 | 175.3 | -4.7 | 108 | ||||
| 444 | K | 39.7 | Very low | 43.1 | Very low | 280 Ų | 280 | 166.9 Ų | 166.9 | 100% | 1.217 | 77% | 0.768 | S | S | * | * | trans | -32.3 | 0 | 175 | -71.6 | 179.1 | 172 | -178.3 | 0 | 114.2 | G442 | G442-K444 PolarHBondContact O-N 3.41Š|
Retrieved 444 of 444 residues in 131.8 ms
(Link to these results)