| 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 | 42.4 | Very low | 42.3 | Very low | 254 Ų | 254 | 151.4 Ų | 151.4 | 100% | 1.251 | 89% | 0.886 | S | S | * | * | 0 | 100.4 | 0 | -78.4 | 167.1 | 147.4 | 0 | 0 | 107.6 | |||||
| 2 | C | 36.7 | Very low | 42.3 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 87% | 0.865 | 88% | 0.879 | S | S | * | * | trans | -107.3 | 153.3 | -178.5 | -109 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | P | 48.8 | Very low | 42.3 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 81% | 0.805 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 154 | -165.2 | 33.2 | -33.4 | 0 | 0 | 0 | 113.6 | ||
| 4 | R | 40.7 | Very low | 42.4 | Very low | 255 Ų | 255 | 152.1 Ų | 152.1 | 96% | 0.962 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 132.1 | -179.2 | -77 | 175.2 | 170 | 172.8 | -3.9 | 111.8 | ||
| 5 | A | 42 | Very low | 42.6 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 83% | 0.826 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 139.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 6 | A | 43.4 | Very low | 42.8 | Very low | 105 Ų | 105 | 146.8 Ų | 146.8 | 87% | 0.868 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 141.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 7 | R | 41.8 | Very low | 43 | Very low | 248 Ų | 248 | 142.1 Ų | 142.1 | 94% | 0.936 | 85% | 0.847 | S | S | * | * | trans | -106.2 | 127.7 | 169.6 | -78.2 | -176.9 | 174.4 | -179.6 | -2.3 | 109.6 | ||||
| 8 | A | 41.4 | Very low | 43 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -77.8 | 154.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 9 | P | 46.3 | Very low | 43.1 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | trans | -83.4 | 134.3 | 175.2 | 33.1 | -29 | 0 | 0 | 0 | 110.4 | ||||
| 10 | A | 41.4 | Very low | 43 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -82.2 | 114.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | L12 | A10-L12 PolarHBondContact O-N 3.41Š| ||
| 11 | T | 40.4 | Very low | 42.9 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -76.3 | 110.9 | 170.9 | -9 | 0 | 0 | 0 | 0 | 108.8 | L13 | T11-L13 PolarHBondContact O-N 3.23Š| ||
| 12 | L | 42.5 | Very low | 42.8 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -81.7 | 103.3 | 174 | -160.5 | 80.6 | 0 | 0 | 0 | 108.5 | A10 L14 | A10-L12 PolarHBondContact O-N 3.41Å; L12-L14 PolarHBondContact O-N 3.39Å | ||
| 13 | L | 42.5 | Very low | 43.3 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -73.2 | 104.6 | 168.5 | -101 | 111.9 | 0 | 0 | 0 | 109 | T11 A15 | T11-L13 PolarHBondContact O-N 3.23Å; L13-A15 PolarHBondContact O-N 3.09Å | ||
| 14 | L | 43.9 | Very low | 43.6 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -74 | 99.7 | 162.6 | -101.5 | 132.6 | 0 | 0 | 0 | 108.3 | L12 V16 | L12-L14 PolarHBondContact O-N 3.39Å; L14-V16 PolarHBondContact O-N 3.25Å; L14-V16 VanDerWaalsContact O-N 3.09Å | ||
| 15 | A | 44.3 | Very low | 44.9 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -70.9 | 96.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | L13 G17 | L13-A15 PolarHBondContact O-N 3.09Å; A15-G17 VanDerWaalsContact C-N 3.31Å; A15-G17 PolarHBondContact O-N 2.94Å | ||
| 16 | V | 47 | Very low | 47.2 | Very low | 125 Ų | 125 | 123 Ų | 123 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -71.9 | 92.5 | 165.8 | 178.9 | 0 | 0 | 0 | 0 | 106.8 | L14 A18 | L14-V16 PolarHBondContact O-N 3.25Å; L14-V16 VanDerWaalsContact O-N 3.09Å; V16-A18 VanDerWaalsContact C-N 3.26Å; V16-A18 PolarHBondContact O-N 3.03Å | ||
| 17 | G | 45.2 | Very low | 49.7 | Very low | 67 Ų | 67 | 119.8 Ų | 119.8 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | -66.5 | 89.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | A15 L19 | A15-G17 VanDerWaalsContact C-N 3.31Å; A15-G17 PolarHBondContact O-N 2.94Å; G17-L19 VanDerWaalsContact C-N 3.27Å; G17-L19 PolarHBondContact O-N 2.84Å | ||
| 18 | A | 43.3 | Very low | 52.4 | Low | 80 Ų | 80 | 110.5 Ų | 110.5 | 66% | 0.661 | 70% | 0.699 | S | S | * | * | trans | -62.7 | 96.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107 | V16 L20 | V16-A18 VanDerWaalsContact C-N 3.26Å; V16-A18 PolarHBondContact O-N 3.03Å; A18-L20 PolarHBondContact O-N 2.99Å | ||
| 19 | L | 44.5 | Very low | 55.1 | Low | 168 Ų | 168 | 106.1 Ų | 106.1 | 88% | 0.88 | 66% | 0.663 | S | S | * | * | trans | -58.3 | 90.7 | 157 | -86 | 147 | 0 | 0 | 0 | 106.2 | G17 W21 | G17-L19 VanDerWaalsContact C-N 3.27Å; G17-L19 PolarHBondContact O-N 2.84Å; L19-W21 PolarHBondContact O-N 2.91Å | ||
| 20 | L | 40.9 | Very low | 57.7 | Low | 166 Ų | 166 | 100.3 Ų | 100.3 | 87% | 0.869 | 63% | 0.625 | S | S | * | * | trans | -62 | 84.5 | 156.7 | -76.6 | 161.1 | 0 | 0 | 0 | 105.6 | A18 S22 | A18-L20 PolarHBondContact O-N 2.99Å; L20-S22 PolarHBondContact O-N 2.96Å | ||
| 21 | W | 41.2 | Very low | 60.4 | Low | 241 Ų | 241 | 95.4 Ų | 95.4 | 91% | 0.913 | 58% | 0.584 | S | S | * | * | trans | -61.8 | 101.1 | 157.4 | -142.5 | -37.3 | 0 | 0 | 0 | 103.8 | L19 A23 | L19-W21 PolarHBondContact O-N 2.91Å; W21-A23 PolarHBondContact O-N 2.83Å | ||
| 22 | S | 41.2 | Very low | 63.2 | Low | 98 Ų | 98 | 89.1 Ų | 89.1 | 69% | 0.685 | 55% | 0.546 | S | S | * | . | trans | -51.3 | 116.3 | 166.1 | 46.6 | 0 | 0 | 0 | 0 | 105.6 | L20 A24 | L20-S22 PolarHBondContact O-N 2.96Å; S22-A24 VanDerWaalsContact C-N 3.33Å; S22-A24 PolarHBondContact O-N 2.96Å | ||
| 23 | A | 45.7 | Very low | 65.9 | Low | 97 Ų | 97 | 81.8 Ų | 81.8 | 80% | 0.802 | 51% | 0.508 | S | S | * | . | trans | -54.2 | 109.2 | 166 | 0 | 0 | 0 | 0 | 0 | 105.6 | W21 G25 | W21-A23 PolarHBondContact O-N 2.83Å; A23-G25 PolarHBondContact O-N 2.86Å | ||
| 24 | A | 55.7 | Low | 68.6 | Low | 59 Ų | 59 | 74 Ų | 74 | 49% | 0.488 | 47% | 0.467 | S | S | . | . | trans | -43.5 | 108 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S22 E296 | S22-A24 VanDerWaalsContact C-N 3.33Å; S22-A24 PolarHBondContact O-N 2.96Å; A24-E296 HydrophobicContact CB-CG 3.98Å; A24-E296 WeakPolarHBondContact CB-OE1 3.48Å | ||
| 25 | G | 68.7 | Low | 71.2 | Confident | 59 Ų | 59 | 67.2 Ų | 67.2 | 61% | 0.608 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -73 | 136.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A23 | A23-G25 PolarHBondContact O-N 2.86Š|
| 26 | A | 89.1 | Confident | 73.6 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 139.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | F294 I301 | A26-F294 WeakPolarHBondContact CA-O 3.38Å; A26-I301 HydrophobicContact CB-CD1 4.04Å |
| 27 | W | 97.3 | Very high | 76 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122 | 176.1 | -177 | 84.2 | 0 | 0 | 0 | 109.8 | L29 N77 V166 E169 V171 K214 F294 | W27-L29 HydrophobicContact CE3-CB 4.27Å; W27-L29 HydrophobicContact CH2-CB 3.89Å; W27-L29 HydrophobicContact CH2-CD1 3.93Å; W27-L29 HydrophobicContact CH2-CD2 4.34Å; W27-L29 HydrophobicContact CH2-CG 4.26Å; W27-L29 HydrophobicContact CZ3-CB 3.58Å; W27-L29 HydrophobicContact CZ3-CD1 4.45Å; W27-L29 HydrophobicContact CZ3-CD2 4.21Å; W27-L29 HydrophobicContact CZ3-CG 4.29Å; W27-N77 HydrophobicContact CZ2-CB 4.03Å; W27-N77 PolarHBondContact NE1-ND2 2.77Å; W27-N77 VanDerWaalsContact NE1-ND2 3.17Å; W27-V166 HydrophobicContact CH2-CB 4.12Å; W27-V166 HydrophobicContact CH2-CG1 4.1Å; W27-V166 HydrophobicContact CZ2-CB 3.94Å; W27-V166 HydrophobicContact CZ2-CG1 3.82Å; W27-V166 WeakPolarHBondContact CZ2-O 2.95Å; W27-E169 HydrophobicContact CD2-CB 4.37Å; W27-E169 HydrophobicContact CD2-CG 3.98Å; W27-E169 HydrophobicContact CG-CG 4Å; W27-E169 HydrophobicContact CH2-CB 4.38Å; W27-E169 HydrophobicContact CZ2-CB 3.83Å; W27-E169 HydrophobicContact CZ2-CG 4.27Å; W27-V171 HydrophobicContact CH2-CG2 3.76Å; W27-V171 HydrophobicContact CZ3-CG2 4.19Å; W27-K214 HydrophobicContact CE3-CD 3.59Å; W27-K214 HydrophobicContact CZ3-CD 3.57Å; W27-F294 HydrophobicContact CE3-CB 4.43Å; W27-F294 AromaticContact CE3-CD2 3.83Å; W27-F294 HydrophobicContact CE3-CD2 3.83Å; W27-F294 HydrophobicContact CE3-CG 4.49Å; W27-F294 HydrophobicContact CZ3-CD2 4Å; W27-F294 HydrophobicContact CZ3-CE2 4.35Å; W27-F294 PolarHBondContact N-O 2.91Å; W27-F294 PolarHBondContact O-N 3.47Å |
| 28 | E | 98.2 | Very high | 78.3 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.6 | -177.4 | -167.3 | -178.8 | 60.3 | 0 | 0 | 111.3 | N77 K291 I292 E293 | E28-N77 VanDerWaalsContact O-CB 3.26Å; E28-N77 WeakPolarHBondContact O-CB 3.41Å; E28-N77 PolarHBondContact O-ND2 2.93Å; E28-K291 VanDerWaalsContact OE1-CE 3.22Å; E28-K291 WeakPolarHBondContact OE1-CE 3.47Å; E28-K291 IonicContact OE1-NZ 3.84Å; E28-K291 PolarHBondContact OE1-NZ 3.27Å; E28-K291 WeakPolarHBondContact OE2-CE 3.23Å; E28-K291 IonicContact OE2-NZ 3.86Å; E28-K291 PolarHBondContact OE2-NZ 3.17Å; E28-I292 CarbonylContact C-O 3.17Å; E28-I292 WeakPolarHBondContact CA-O 3.37Å; E28-E293 HydrophobicContact CG-CG 4.45Å |
| 29 | L | 98.8 | Very high | 80.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.5 | 172.7 | 177 | 63.2 | 0 | 0 | 0 | 110.2 | W27 I31 N77 L79 V166 V171 I216 K291 I292 F294 | W27-L29 HydrophobicContact CE3-CB 4.27Å; W27-L29 HydrophobicContact CH2-CB 3.89Å; W27-L29 HydrophobicContact CH2-CD1 3.93Å; W27-L29 HydrophobicContact CH2-CD2 4.34Å; W27-L29 HydrophobicContact CH2-CG 4.26Å; W27-L29 HydrophobicContact CZ3-CB 3.58Å; W27-L29 HydrophobicContact CZ3-CD1 4.45Å; W27-L29 HydrophobicContact CZ3-CD2 4.21Å; W27-L29 HydrophobicContact CZ3-CG 4.29Å; L29-I31 HydrophobicContact CD2-CD1 4.18Å; L29-I31 HydrophobicContact CD2-CG1 3.86Å; L29-I31 HydrophobicContact CG-CG1 3.98Å; L29-N77 HydrophobicContact CD1-CB 4.41Å; L29-L79 HydrophobicContact CD1-CD1 4.17Å; L29-L79 HydrophobicContact CD1-CG 4.14Å; L29-L79 HydrophobicContact CD2-CD1 4.27Å; L29-V166 HydrophobicContact CD1-CG1 4.08Å; L29-V171 HydrophobicContact CD2-CG2 4.28Å; L29-I216 HydrophobicContact CD2-CD1 4.2Å; L29-K291 WeakPolarHBondContact O-CA 3.43Å; L29-I292 PolarHBondContact N-O 3.24Å; L29-I292 PolarHBondContact O-N 2.93Å; L29-F294 HydrophobicContact CB-CE2 4.28Å; L29-F294 HydrophobicContact CD2-CE2 4.29Å |
| 30 | T | 98.9 | Very high | 83.2 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115.4 | 166.9 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | L32 I71 E75 N77 V78 L79 Y289 L290 | T30-L32 HydrophobicContact CG2-CD2 4.05Å; T30-L32 HydrophobicContact CG2-CG 4.4Å; T30-I71 HydrophobicContact CG2-CG2 4.03Å; T30-E75 HydrophobicContact CG2-CG 4.49Å; T30-N77 PolarHBondContact N-O 3.01Å; T30-V78 WeakPolarHBondContact O-CA 3.48Å; T30-L79 PolarHBondContact O-N 3.45Å; T30-Y289 HydrophobicContact CG2-CD2 3.83Å; T30-Y289 HydrophobicContact CG2-CE2 3.52Å; T30-L290 WeakPolarHBondContact CA-O 3.45Å |
| 31 | I | 98.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 112.9 | 171.6 | -55.3 | 176.2 | 0 | 0 | 0 | 108.2 | L29 L81 I216 V238 V240 L290 I292 | L29-I31 HydrophobicContact CD2-CD1 4.18Å; L29-I31 HydrophobicContact CD2-CG1 3.86Å; L29-I31 HydrophobicContact CG-CG1 3.98Å; I31-L81 HydrophobicContact CG2-CD1 3.9Å; I31-L81 HydrophobicContact CG2-CG 4.37Å; I31-I216 HydrophobicContact CD1-CD1 3.68Å; I31-I216 HydrophobicContact CD1-CG1 4.26Å; I31-I216 HydrophobicContact CG1-CD1 4.28Å; I31-V238 HydrophobicContact CD1-CG1 4.04Å; I31-V238 HydrophobicContact CD1-CG2 4.38Å; I31-V240 HydrophobicContact CG2-CG2 4.14Å; I31-L290 HydrophobicContact CB-CB 4.45Å; I31-L290 PolarHBondContact N-O 2.83Å; I31-L290 PolarHBondContact O-N 3.13Å; I31-I292 HydrophobicContact CD1-CD1 3.59Å; I31-I292 HydrophobicContact CG1-CD1 4.44Å |
| 32 | L | 98.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.3 | 163.6 | -58.2 | -175.8 | 0 | 0 | 0 | 108.5 | T30 V68 I71 V78 L79 L80 L81 L287 G288 Y289 | T30-L32 HydrophobicContact CG2-CD2 4.05Å; T30-L32 HydrophobicContact CG2-CG 4.4Å; L32-V68 HydrophobicContact CD1-CB 4.46Å; L32-V68 HydrophobicContact CD1-CG1 4.28Å; L32-V68 HydrophobicContact CD1-CG2 4.25Å; L32-I71 HydrophobicContact CD1-CB 4.22Å; L32-I71 HydrophobicContact CD1-CD1 4.3Å; L32-I71 HydrophobicContact CD1-CG2 4.17Å; L32-I71 HydrophobicContact CD2-CD1 3.65Å; L32-I71 HydrophobicContact CD2-CG2 4.1Å; L32-I71 HydrophobicContact CG-CG2 4.49Å; L32-V78 HydrophobicContact CD1-CG1 3.7Å; L32-V78 HydrophobicContact CG-CG1 3.83Å; L32-L79 PolarHBondContact N-O 2.99Å; L32-L80 HydrophobicContact CB-CB 4.37Å; L32-L80 HydrophobicContact CB-CD1 3.6Å; L32-L80 CarbonylContact O-C 3.49Å; L32-L80 WeakPolarHBondContact O-CA 3.43Å; L32-L81 PolarHBondContact O-N 3.18Å; L32-L287 HydrophobicContact CB-CD1 4.12Å; L32-L287 HydrophobicContact CD1-CD2 4.48Å; L32-L287 HydrophobicContact CD2-CD2 4.24Å; L32-L287 HydrophobicContact CD2-CG 4.46Å; L32-G288 VanDerWaalsContact CA-O 3.28Å; L32-G288 WeakPolarHBondContact CA-O 3.31Å; L32-Y289 HydrophobicContact CD2-CD2 3.66Å |
| 33 | H | 98.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150.6 | 178.9 | 66.6 | 94.7 | 0 | 0 | 0 | 115.1 | L81 V240 Y263 V278 G288 | H33-L81 CarbonylContact C-O 3.56Å; H33-L81 WeakPolarHBondContact CA-O 3.44Å; H33-L81 HydrophobicContact CB-CB 4.49Å; H33-V240 HydrophobicContact CB-CG1 3.6Å; H33-Y263 AromaticContact NE2-CE2 3.79Å; H33-Y263 AromaticContact NE2-CZ 3.71Å; H33-Y263 PolarHBondContact NE2-OH 3.49Å; H33-V278 WeakPolarHBondContact NE2-CG2 3.39Å; H33-G288 PolarHBondContact N-O 3.44Å; H33-G288 WeakPolarHBondContact NE2-CA 3.46Å; H33-G288 WeakPolarHBondContact O-CA 3.48Å; H33-G288 PolarHBondContact O-N 3.15Å |
| 34 | T | 98.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156.8 | 169.8 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | L64 L81 D82 A83 Y110 L287 | T34-L64 HydrophobicContact CG2-CD1 4.44Å; T34-L64 HydrophobicContact CG2-CD2 4.18Å; T34-L81 PolarHBondContact N-O 2.92Å; T34-D82 CarbonylContact O-C 3.42Å; T34-D82 WeakPolarHBondContact O-CA 3.37Å; T34-D82 PolarHBondContact OG1-OD2 3.21Å; T34-A83 PolarHBondContact O-N 3.38Å; T34-Y110 WeakPolarHBondContact OG1-CE1 3.48Å; T34-Y110 PolarHBondContact OG1-OH 3.09Å; T34-L287 HydrophobicContact CG2-CD1 4.26Å |
| 35 | N | 98.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.011 | 11% | 0.108 | C | C | . | . | trans | -152.9 | 151.8 | 173.3 | 65.8 | -83.2 | 0 | 0 | 0 | 108.4 | V37 A83 G241 A280 Y281 | N35-V37 PolarHBondContact O-N 2.87Å; N35-V37 VanDerWaalsContact O-N 3.13Å; N35-A83 HydrophobicContact CB-CB 3.88Å; N35-G241 WeakPolarHBondContact CB-O 3.31Å; N35-A280 WeakPolarHBondContact OD1-CA 3.25Å; N35-A280 WeakPolarHBondContact OD1-CB 3.47Å; N35-A280 PolarHBondContact OD1-N 3.33Å; N35-Y281 PolarHBondContact ND2-O 2.92Å | ||
| 36 | D | 95.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | trans | 54 | 39.5 | 170.6 | -56.6 | -94.2 | 0 | 0 | 0 | 112.9 | H38 G84 D85 H220 G242 H243 N245 A282 F283 | D36-H38 PolarHBondContact O-CD2 2.86Å; D36-H38 PolarHBondContact O-N 3.29Å; D36-H38 IonicContact OD1-NE2 2.63Å; D36-G84 PolarHBondContact N-O 2.48Å; D36-D85 CarbonylContact C-O 3.58Å; D36-H220 IonicContact OD1-CE1 3.76Å; D36-H220 PolarHBondContact OD1-CE1 2.82Å; D36-H220 VanDerWaalsContact OD1-CE1 3.28Å; D36-H220 IonicContact OD1-NE2 2.7Å; D36-H220 IonicContact OD2-CE1 3.83Å; D36-G242 WeakPolarHBondContact OD2-CA 3.13Å; D36-H243 VanDerWaalsContact OD1-CA 3.3Å; D36-H243 WeakPolarHBondContact OD1-CA 3.47Å; D36-H243 PolarHBondContact OD1-N 3.48Å; D36-H243 PolarHBondContact OD2-N 3.33Å; D36-N245 WeakPolarHBondContact CB-OD1 3.32Å; D36-N245 PolarHBondContact OD1-OD1 2.91Å; D36-A282 HydrophobicContact CB-CB 3.85Å; D36-F283 PolarHBondContact O-N 3.19Å | ||
| 37 | V | 97.9 | Very high | 96 | Very high | 13 Ų | 13 | 16.3 Ų | 16.3 | 8% | 0.079 | 8% | 0.079 | C | C | . | . | trans | -64.4 | -29.7 | -178.2 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | N35 S39 R40 D85 F283 | N35-V37 PolarHBondContact O-N 2.87Å; N35-V37 VanDerWaalsContact O-N 3.13Å; V37-S39 PolarHBondContact O-N 2.84Å; V37-R40 WeakPolarHBondContact O-CB 3.28Å; V37-R40 WeakPolarHBondContact O-CG 3.32Å; V37-R40 PolarHBondContact O-N 2.97Å; V37-D85 PolarHBondContact N-O 3.14Å; V37-D85 VanDerWaalsContact N-O 3.16Å; V37-F283 WeakPolarHBondContact O-CA 3.44Å | ||
| 38 | H | 93.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 3% | 0.028 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 56 | 172.9 | -69.2 | -49.5 | 0 | 0 | 0 | 113.5 | D36 R40 D85 Y87 Q88 H118 F283 | D36-H38 PolarHBondContact O-CD2 2.86Å; D36-H38 PolarHBondContact O-N 3.29Å; D36-H38 IonicContact OD1-NE2 2.63Å; H38-R40 PolarHBondContact O-N 2.98Å; H38-R40 PolarHBondContact O-NH1 2.89Å; H38-D85 IonicContact CE1-OD2 3.97Å; H38-D85 PolarHBondContact CE1-OD2 2.71Å; H38-D85 PolarHBondContact N-O 2.93Å; H38-Y87 PolarHBondContact ND1-O 2.95Å; H38-Q88 CarbonylContact C-O 3.58Å; H38-Q88 WeakPolarHBondContact CA-O 3.33Å; H38-Q88 WeakPolarHBondContact CB-O 3.38Å; H38-H118 AromaticContact CE1-CD2 3.64Å; H38-F283 HydrophobicContact CB-CD1 4.13Å; H38-F283 HydrophobicContact CB-CE1 4.23Å; H38-F283 AromaticContact CD2-CE1 3.7Å |
| 39 | S | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 26.6 | 172.8 | -51.6 | 0 | 0 | 0 | 0 | 114.9 | V37 L41 Q86 Q88 T90 F93 | V37-S39 PolarHBondContact O-N 2.84Å; S39-L41 PolarHBondContact O-N 2.82Å; S39-Q86 PolarHBondContact N-O 3.43Å; S39-Q86 PolarHBondContact OG-O 3.08Å; S39-Q88 WeakPolarHBondContact CB-O 3.39Å; S39-Q88 PolarHBondContact N-O 3.41Å; S39-Q88 PolarHBondContact OG-N 2.87Å; S39-Q88 PolarHBondContact OG-O 2.83Å; S39-T90 WeakPolarHBondContact CB-OG1 3.38Å; S39-T90 VanDerWaalsContact O-CG2 3.31Å; S39-T90 WeakPolarHBondContact O-CG2 3.49Å; S39-T90 PolarHBondContact O-OG1 2.93Å; S39-F93 WeakPolarHBondContact OG-CB 3.18Å |
| 40 | R | 95.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 16.1 Ų | 16.1 | 5% | 0.053 | 8% | 0.08 | C | C | . | . | trans | -82.1 | 62.6 | 171.4 | -61.2 | -51.7 | -167.5 | -96.9 | 10.4 | 111.1 | V37 H38 T44 S48 G89 F283 | V37-R40 WeakPolarHBondContact O-CB 3.28Å; V37-R40 WeakPolarHBondContact O-CG 3.32Å; V37-R40 PolarHBondContact O-N 2.97Å; H38-R40 PolarHBondContact O-N 2.98Å; H38-R40 PolarHBondContact O-NH1 2.89Å; R40-T44 HydrophobicContact CB-CG2 4.07Å; R40-T44 HydrophobicContact CG-CG2 4.01Å; R40-S48 PolarHBondContact NE-O 3.08Å; R40-S48 PolarHBondContact NH2-O 2.8Å; R40-G89 VanDerWaalsContact NH1-C 3.34Å; R40-G89 PolarHBondContact NH1-O 3.15Å; R40-F283 WeakPolarHBondContact CB-O 3.47Å; R40-F283 HydrophobicContact CG-CB 3.97Å; R40-F283 HydrophobicContact CG-CD1 4.37Å | ||
| 41 | L | 96.9 | Very high | 94 | Very high | 8 Ų | 8 | 17.4 Ų | 17.4 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | trans | -66.1 | -45.6 | 178.6 | -78.9 | -62.3 | 0 | 0 | 0 | 110.8 | S39 G60 V61 W92 E100 F104 | S39-L41 PolarHBondContact O-N 2.82Å; L41-G60 CarbonylContact O-C 3.53Å; L41-G60 WeakPolarHBondContact O-CA 3.49Å; L41-V61 HydrophobicContact CD1-CB 4.32Å; L41-V61 HydrophobicContact CD1-CG1 4.02Å; L41-V61 WeakPolarHBondContact O-CG1 3.29Å; L41-V61 PolarHBondContact O-N 2.87Å; L41-W92 HydrophobicContact CB-CD2 4.04Å; L41-W92 HydrophobicContact CB-CE3 4.35Å; L41-W92 HydrophobicContact CB-CG 4.34Å; L41-W92 HydrophobicContact CD2-CB 4.36Å; L41-W92 HydrophobicContact CD2-CG 4.5Å; L41-W92 HydrophobicContact CG-CD2 4.3Å; L41-W92 HydrophobicContact CG-CE3 4.28Å; L41-E100 HydrophobicContact CD2-CG 3.94Å; L41-E100 HydrophobicContact CG-CG 4.17Å; L41-F104 HydrophobicContact CD1-CB 3.95Å; L41-F104 HydrophobicContact CD1-CD2 3.41Å; L41-F104 VanDerWaalsContact CD1-CD2 3.41Å; L41-F104 HydrophobicContact CD1-CE2 4.19Å; L41-F104 HydrophobicContact CD1-CG 3.88Å; L41-F104 HydrophobicContact CG-CD2 4.22Å | ||
| 42 | E | 97.2 | Very high | 93.3 | Very high | 52 Ų | 52 | 21.4 Ų | 21.4 | 24% | 0.243 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -76.8 | 157.7 | 172 | -67.2 | 177 | -94.9 | 0 | 0 | 111.4 | W92 I324 R328 | E42-W92 HydrophobicContact CG-CZ2 3.75Å; E42-W92 PolarHBondContact OE1-NE1 3.42Å; E42-I324 HydrophobicContact CG-CG2 3.74Å; E42-R328 VanDerWaalsContact OE1-CD 3.28Å; E42-R328 WeakPolarHBondContact OE1-CD 3Å; E42-R328 IonicContact OE1-CZ 3.34Å; E42-R328 IonicContact OE1-NE 3.23Å; E42-R328 PolarHBondContact OE1-NE 3.29Å; E42-R328 IonicContact OE2-NE 2.76Å; E42-R328 PolarHBondContact OE2-NE 2.93Å |
| 43 | Q | 96.9 | Very high | 92.8 | Very high | 26 Ų | 26 | 25.3 Ų | 25.3 | 12% | 0.121 | 13% | 0.134 | C | C | . | . | trans | -62 | 149.4 | 168.5 | 64.4 | 174 | 12.1 | 0 | 0 | 111.2 | C51 C57 M58 | Q43-C51 HydrophobicContact CG-CB 4.25Å; Q43-C51 PolarHBondContact NE2-SG 3.26Å; Q43-C51 VanDerWaalsContact NE2-SG 3.43Å; Q43-C51 WeakPolarHBondContact O-CB 3.46Å; Q43-C57 HydrophobicContact CB-CB 4.16Å; Q43-C57 VanDerWaalsContact CD-CB 3.47Å; Q43-C57 HydrophobicContact CG-CB 3.86Å; Q43-M58 CarbonylContact C-O 3.51Å; Q43-M58 WeakPolarHBondContact CA-O 3.33Å | ||
| 44 | T | 93.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -119 | 167.9 | -174.3 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | R40 S49 C57 M58 | R40-T44 HydrophobicContact CB-CG2 4.07Å; R40-T44 HydrophobicContact CG-CG2 4.01Å; T44-S49 WeakPolarHBondContact CA-O 3.36Å; T44-S49 VanDerWaalsContact CB-O 3.27Å; T44-S49 WeakPolarHBondContact CB-O 3.49Å; T44-C57 CarbonylContact O-C 3.44Å; T44-C57 WeakPolarHBondContact O-CA 3.33Å; T44-C57 WeakPolarHBondContact O-CB 3.34Å; T44-M58 PolarHBondContact N-O 2.81Å; T44-M58 PolarHBondContact O-N 2.65Å; T44-M58 PolarHBondContact OG1-O 2.96Å |
| 45 | S | 90.8 | Very high | 92 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | trans | -64.6 | 174.9 | 163.6 | 55 | 0 | 0 | 0 | 0 | 111.2 | D47 S48 S49 | S45-D47 WeakPolarHBondContact CB-OD1 3.35Å; S45-D47 PolarHBondContact O-N 2.94Å; S45-D47 PolarHBondContact OG-OD1 2.97Å; S45-S48 PolarHBondContact O-N 3.3Å; S45-S49 PolarHBondContact N-O 3.24Å; S45-S49 VanDerWaalsContact OG-C 3.3Å; S45-S49 WeakPolarHBondContact OG-CA 3.16Å; S45-S49 PolarHBondContact OG-N 2.93Å; S45-S49 PolarHBondContact OG-O 3.31Å; S45-S49 VanDerWaalsContact OG-O 3.11Å; S45-S49 PolarHBondContact OG-OG 3.05Å | ||
| 46 | E | 91.5 | Very high | 91.7 | Very high | 63 Ų | 63 | 39.6 Ų | 39.6 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29.5 | 178.8 | -177.2 | 176 | -134.5 | 0 | 0 | 113.6 | S48 M58 S255 K256 K285 | E46-S48 VanDerWaalsContact C-N 3.34Å; E46-M58 HydrophobicContact CB-CE 3.99Å; E46-M58 HydrophobicContact CB-SD 4.36Å; E46-M58 HydrophobicContact CG-CE 3.79Å; E46-M58 HydrophobicContact CG-SD 4.22Å; E46-S255 PolarHBondContact OE1-OG 2.75Å; E46-S255 VanDerWaalsContact OE1-OG 3.06Å; E46-K256 HydrophobicContact CG-CD 4.28Å; E46-K256 WeakPolarHBondContact OE2-CD 3.33Å; E46-K256 WeakPolarHBondContact OE2-CE 3.12Å; E46-K256 IonicContact OE2-NZ 2.91Å; E46-K256 PolarHBondContact OE2-NZ 2.63Å; E46-K285 PolarHBondContact O-NZ 2.94Å |
| 47 | D | 83.7 | Confident | 91.6 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 15.4 | 177.6 | 67.2 | -5.2 | 0 | 0 | 0 | 113.4 | S45 S49 Y345 P397 | S45-D47 WeakPolarHBondContact CB-OD1 3.35Å; S45-D47 PolarHBondContact O-N 2.94Å; S45-D47 PolarHBondContact OG-OD1 2.97Å; D47-S49 PolarHBondContact O-N 2.84Å; D47-S49 WeakPolarHBondContact OD1-CB 3.43Å; D47-S49 PolarHBondContact OD1-N 2.94Å; D47-S49 PolarHBondContact OD1-OG 3.2Å; D47-Y345 WeakPolarHBondContact OD2-CE2 3.27Å; D47-Y345 PolarHBondContact OD2-OH 3.04Å; D47-P397 HydrophobicContact CB-CG 4.08Å; D47-P397 VanDerWaalsContact OD2-CG 3.25Å; D47-P397 WeakPolarHBondContact OD2-CG 3.33Å |
| 48 | S | 87.8 | Confident | 91.6 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 65.7 | 13.9 | 177.5 | -55.5 | 0 | 0 | 0 | 0 | 115.6 | R40 S45 E46 F283 | R40-S48 PolarHBondContact NE-O 3.08Å; R40-S48 PolarHBondContact NH2-O 2.8Å; S45-S48 PolarHBondContact O-N 3.3Å; E46-S48 VanDerWaalsContact C-N 3.34Å; S48-F283 WeakPolarHBondContact OG-CB 3.36Å; S48-F283 WeakPolarHBondContact OG-CD2 3.48Å |
| 49 | S | 84.6 | Confident | 91.8 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -82.4 | -172.9 | 166.9 | 73.2 | 0 | 0 | 0 | 0 | 111.7 | T44 S45 D47 C51 P397 | T44-S49 WeakPolarHBondContact CA-O 3.36Å; T44-S49 VanDerWaalsContact CB-O 3.27Å; T44-S49 WeakPolarHBondContact CB-O 3.49Å; S45-S49 PolarHBondContact N-O 3.24Å; S45-S49 VanDerWaalsContact OG-C 3.3Å; S45-S49 WeakPolarHBondContact OG-CA 3.16Å; S45-S49 PolarHBondContact OG-N 2.93Å; S45-S49 PolarHBondContact OG-O 3.31Å; S45-S49 VanDerWaalsContact OG-O 3.11Å; S45-S49 PolarHBondContact OG-OG 3.05Å; D47-S49 PolarHBondContact O-N 2.84Å; D47-S49 WeakPolarHBondContact OD1-CB 3.43Å; D47-S49 PolarHBondContact OD1-N 2.94Å; D47-S49 PolarHBondContact OD1-OG 3.2Å; S49-C51 PolarHBondContact O-N 2.88Å; S49-P397 WeakPolarHBondContact CB-O 3.35Å |
| 50 | K | 88.3 | Confident | 91.9 | Very high | 77 Ų | 77 | 39.7 Ų | 39.7 | 34% | 0.335 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -60.5 | 126.9 | -177.2 | -177.4 | 171.8 | 179.3 | 170.1 | 0 | 110.6 | V52 E409 | K50-V52 PolarHBondContact O-N 3.39Å; K50-E409 WeakPolarHBondContact CE-OE2 3.47Å; K50-E409 IonicContact NZ-OE1 3.74Å; K50-E409 IonicContact NZ-OE2 3.81Å; K50-E409 PolarHBondContact NZ-OE2 3.46Å |
| 51 | C | 89.8 | Confident | 92 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | trans | -63.6 | 125.8 | 173.5 | 171 | 0 | 0 | 0 | 0 | 111 | Q43 S49 C57 | Q43-C51 HydrophobicContact CG-CB 4.25Å; Q43-C51 PolarHBondContact NE2-SG 3.26Å; Q43-C51 VanDerWaalsContact NE2-SG 3.43Å; Q43-C51 WeakPolarHBondContact O-CB 3.46Å; S49-C51 PolarHBondContact O-N 2.88Å; C51-C57 VanDerWaalsContact CA-SG 3.6Å; C51-C57 HydrophobicContact CB-CB 3.93Å; C51-C57 WeakPolarHBondContact CB-SG 3.46Å; C51-C57 WeakPolarHBondContact SG-CB 3.17Å; C51-C57 CovalentContact SG-SG 2.01Å; C51-C57 PolarHBondContact SG-SG 3.47Å | ||
| 52 | V | 85.1 | Confident | 92.1 | Very high | 84 Ų | 84 | 39.3 Ų | 39.3 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | trans | -113.9 | -51 | 174.4 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | K50 N402 | K50-V52 PolarHBondContact O-N 3.39Å; V52-N402 HydrophobicContact CB-CB 4.35Å; V52-N402 HydrophobicContact CG1-CB 3.7Å; V52-N402 HydrophobicContact CG2-CB 3.77Å | ||
| 53 | N | 88.3 | Confident | 92.2 | Very high | 82 Ų | 82 | 37.2 Ų | 37.2 | 44% | 0.439 | 20% | 0.201 | S | C | . | . | trans | -98.6 | 95.1 | 177.8 | -176.6 | -9.7 | 0 | 0 | 0 | 110.6 | S55 R56 C57 | N53-S55 PolarHBondContact O-N 3.03Å; N53-S55 PolarHBondContact OD1-N 3.08Å; N53-S55 PolarHBondContact OD1-OG 2.87Å; N53-R56 PolarHBondContact O-N 2.81Å; N53-C57 VanDerWaalsContact C-SG 3.54Å; N53-C57 PolarHBondContact O-N 2.84Å; N53-C57 PolarHBondContact O-SG 2.98Å | ||
| 54 | A | 89.3 | Confident | 92.3 | Very high | 59 Ų | 59 | 36.4 Ų | 36.4 | 49% | 0.488 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -51.4 | -29.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R56 C57 | A54-R56 PolarHBondContact O-N 3.18Å; A54-C57 PolarHBondContact O-N 3.47Å |
| 55 | S | 91.3 | Very high | 92.5 | Very high | 73 Ų | 73 | 37.7 Ų | 37.7 | 51% | 0.51 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -66.8 | -19.4 | 178.6 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | N53 S312 | N53-S55 PolarHBondContact O-N 3.03Å; N53-S55 PolarHBondContact OD1-N 3.08Å; N53-S55 PolarHBondContact OD1-OG 2.87Å; S55-S312 VanDerWaalsContact O-CB 3.24Å; S55-S312 WeakPolarHBondContact O-CB 3.33Å; S55-S312 PolarHBondContact O-OG 2.77Å |
| 56 | R | 92.1 | Very high | 92.9 | Very high | 171 Ų | 171 | 37.7 Ų | 37.7 | 65% | 0.645 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -114.3 | 2.7 | 179.8 | -61.4 | -173.7 | -177.7 | 178 | 0.4 | 113.1 | N53 A54 | N53-R56 PolarHBondContact O-N 2.81Å; A54-R56 PolarHBondContact O-N 3.18Å |
| 57 | C | 94.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | trans | -76.3 | 151.5 | -177.7 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | Q43 T44 C51 N53 A54 | Q43-C57 HydrophobicContact CB-CB 4.16Å; Q43-C57 VanDerWaalsContact CD-CB 3.47Å; Q43-C57 HydrophobicContact CG-CB 3.86Å; T44-C57 CarbonylContact O-C 3.44Å; T44-C57 WeakPolarHBondContact O-CA 3.33Å; T44-C57 WeakPolarHBondContact O-CB 3.34Å; C51-C57 VanDerWaalsContact CA-SG 3.6Å; C51-C57 HydrophobicContact CB-CB 3.93Å; C51-C57 WeakPolarHBondContact CB-SG 3.46Å; C51-C57 WeakPolarHBondContact SG-CB 3.17Å; C51-C57 CovalentContact SG-SG 2.01Å; C51-C57 PolarHBondContact SG-SG 3.47Å; N53-C57 VanDerWaalsContact C-SG 3.54Å; N53-C57 PolarHBondContact O-N 2.84Å; N53-C57 PolarHBondContact O-SG 2.98Å; A54-C57 PolarHBondContact O-N 3.47Å | ||
| 58 | M | 96.9 | Very high | 94 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -132.2 | 162.9 | -170.4 | -54.6 | -175.8 | -177.7 | 0 | 0 | 110.6 | Q43 T44 E46 K285 L309 L310 N311 | Q43-M58 CarbonylContact C-O 3.51Å; Q43-M58 WeakPolarHBondContact CA-O 3.33Å; T44-M58 PolarHBondContact N-O 2.81Å; T44-M58 PolarHBondContact O-N 2.65Å; T44-M58 PolarHBondContact OG1-O 2.96Å; E46-M58 HydrophobicContact CB-CE 3.99Å; E46-M58 HydrophobicContact CB-SD 4.36Å; E46-M58 HydrophobicContact CG-CE 3.79Å; E46-M58 HydrophobicContact CG-SD 4.22Å; M58-K285 HydrophobicContact CB-CG 4.44Å; M58-K285 HydrophobicContact SD-CD 4.38Å; M58-K285 VanDerWaalsContact SD-CE 3.56Å; M58-K285 HydrophobicContact SD-CG 4.39Å; M58-L309 HydrophobicContact SD-CD1 3.88Å; M58-L310 CarbonylContact C-O 3.57Å; M58-L310 WeakPolarHBondContact CA-O 3.31Å; M58-N311 HydrophobicContact CG-CB 4.42Å |
| 59 | G | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | 63.1 | -147.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R63 G284 L310 | G59-R63 WeakPolarHBondContact O-CB 3.35Å; G59-R63 PolarHBondContact O-NH1 3.38Å; G59-G284 WeakPolarHBondContact CA-O 3.35Å; G59-L310 PolarHBondContact N-O 3.26Å | ||
| 60 | G | 97.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | trans | 79.9 | 144 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L41 A62 R63 L64 | L41-G60 CarbonylContact O-C 3.53Å; L41-G60 WeakPolarHBondContact O-CA 3.49Å; G60-A62 VanDerWaalsContact C-N 3.27Å; G60-A62 PolarHBondContact O-N 2.76Å; G60-R63 PolarHBondContact O-N 3.11Å; G60-R63 VanDerWaalsContact O-N 3.16Å; G60-L64 PolarHBondContact O-N 3.04Å | ||
| 61 | V | 98.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -28.6 | -170.2 | 71.4 | 0 | 0 | 0 | 0 | 113 | L41 F65 F104 L108 I320 I324 | L41-V61 HydrophobicContact CD1-CB 4.32Å; L41-V61 HydrophobicContact CD1-CG1 4.02Å; L41-V61 WeakPolarHBondContact O-CG1 3.29Å; L41-V61 PolarHBondContact O-N 2.87Å; V61-F65 WeakPolarHBondContact O-CB 3.39Å; V61-F65 PolarHBondContact O-N 2.83Å; V61-F104 HydrophobicContact CG1-CB 4.3Å; V61-F104 HydrophobicContact CG1-CD1 3.88Å; V61-F104 HydrophobicContact CG1-CE1 4.38Å; V61-F104 HydrophobicContact CG1-CG 4.01Å; V61-F104 HydrophobicContact CG2-CB 3.94Å; V61-L108 HydrophobicContact CG2-CD1 3.28Å; V61-L108 HydrophobicContact CG2-CD2 3.82Å; V61-L108 HydrophobicContact CG2-CG 4.22Å; V61-I320 HydrophobicContact CG1-CG2 3.98Å; V61-I324 HydrophobicContact CG1-CD1 3.52Å; V61-I324 HydrophobicContact CG1-CG1 4Å |
| 62 | A | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G60 T66 E316 D317 I320 K321 I324 | G60-A62 VanDerWaalsContact C-N 3.27Å; G60-A62 PolarHBondContact O-N 2.76Å; A62-T66 PolarHBondContact O-N 2.88Å; A62-T66 PolarHBondContact O-OG1 2.97Å; A62-E316 HydrophobicContact CB-CB 3.83Å; A62-E316 HydrophobicContact CB-CG 4.21Å; A62-D317 WeakPolarHBondContact O-CB 3.46Å; A62-D317 PolarHBondContact O-N 2.85Å; A62-I320 HydrophobicContact CB-CB 4.05Å; A62-I320 HydrophobicContact CB-CG2 3.86Å; A62-K321 HydrophobicContact CB-CB 4.18Å; A62-I324 HydrophobicContact CB-CD1 3.9Å |
| 63 | R | 98.8 | Very high | 96.8 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75.3 | -39.6 | 176.9 | -176.6 | 173.9 | -73.6 | 106.1 | -1.2 | 111.6 | G59 G60 F65 T66 K67 L310 N311 I314 E316 | G59-R63 WeakPolarHBondContact O-CB 3.35Å; G59-R63 PolarHBondContact O-NH1 3.38Å; G60-R63 PolarHBondContact O-N 3.11Å; G60-R63 VanDerWaalsContact O-N 3.16Å; R63-F65 VanDerWaalsContact C-N 3.3Å; R63-F65 PolarHBondContact O-N 2.74Å; R63-T66 PolarHBondContact O-N 2.91Å; R63-K67 PolarHBondContact O-N 3.1Å; R63-K67 VanDerWaalsContact O-N 3.14Å; R63-L310 VanDerWaalsContact CD-C 3.48Å; R63-L310 WeakPolarHBondContact CD-O 3.44Å; R63-L310 HydrophobicContact CG-CB 4.23Å; R63-N311 VanDerWaalsContact CD-O 3.24Å; R63-N311 WeakPolarHBondContact CD-O 3.45Å; R63-N311 PolarHBondContact NE-O 3.17Å; R63-N311 VanDerWaalsContact NE-O 3.12Å; R63-I314 HydrophobicContact CG-CB 3.84Å; R63-I314 HydrophobicContact CG-CG2 3.71Å; R63-I314 PolarHBondContact NE-O 3.16Å; R63-E316 HydrophobicContact CB-CG 4.25Å |
| 64 | L | 98.9 | Very high | 97.2 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.7 | -48 | 172.2 | 175.2 | 60.9 | 0 | 0 | 0 | 110.5 | T34 G60 T66 K67 V68 L108 L287 L310 | T34-L64 HydrophobicContact CG2-CD1 4.44Å; T34-L64 HydrophobicContact CG2-CD2 4.18Å; G60-L64 PolarHBondContact O-N 3.04Å; L64-T66 VanDerWaalsContact C-N 3.34Å; L64-T66 PolarHBondContact O-N 2.83Å; L64-K67 PolarHBondContact O-N 2.71Å; L64-K67 VanDerWaalsContact O-N 3.14Å; L64-V68 HydrophobicContact CD1-CG2 3.82Å; L64-V68 HydrophobicContact CG-CG2 4.2Å; L64-V68 WeakPolarHBondContact O-CB 3.24Å; L64-V68 WeakPolarHBondContact O-CG2 3.44Å; L64-V68 PolarHBondContact O-N 2.68Å; L64-L108 HydrophobicContact CB-CD2 4.25Å; L64-L108 HydrophobicContact CD2-CD2 3.4Å; L64-L108 HydrophobicContact CG-CD2 3.55Å; L64-L287 HydrophobicContact CD1-CB 4.02Å; L64-L287 HydrophobicContact CD1-CD1 3.7Å; L64-L287 HydrophobicContact CD1-CD2 4.03Å; L64-L287 HydrophobicContact CD1-CG 4.12Å; L64-L310 HydrophobicContact CB-CD1 3.97Å; L64-L310 HydrophobicContact CD1-CD1 3.96Å |
| 65 | F | 98.9 | Very high | 97.7 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.8 | -49.3 | 176.8 | -176.6 | -87.5 | 0 | 0 | 0 | 112 | V61 R63 K67 V68 Q69 A107 L108 D317 I320 | V61-F65 WeakPolarHBondContact O-CB 3.39Å; V61-F65 PolarHBondContact O-N 2.83Å; R63-F65 VanDerWaalsContact C-N 3.3Å; R63-F65 PolarHBondContact O-N 2.74Å; F65-K67 VanDerWaalsContact C-N 3.34Å; F65-K67 PolarHBondContact O-N 2.81Å; F65-V68 PolarHBondContact O-N 3.04Å; F65-Q69 HydrophobicContact CD1-CG 3.86Å; F65-Q69 HydrophobicContact CD2-CG 4.44Å; F65-Q69 HydrophobicContact CE1-CG 3.63Å; F65-Q69 HydrophobicContact CE2-CG 4.21Å; F65-Q69 HydrophobicContact CG-CG 4.28Å; F65-Q69 HydrophobicContact CZ-CG 3.81Å; F65-Q69 WeakPolarHBondContact O-CB 3.35Å; F65-Q69 WeakPolarHBondContact O-CG 3.43Å; F65-Q69 PolarHBondContact O-N 2.96Å; F65-A107 WeakPolarHBondContact CE2-O 3.47Å; F65-L108 HydrophobicContact CB-CD1 4.11Å; F65-L108 HydrophobicContact CB-CG 4.27Å; F65-L108 HydrophobicContact CD2-CD1 3.88Å; F65-L108 HydrophobicContact CD2-CG 4.01Å; F65-D317 HydrophobicContact CB-CB 4.35Å; F65-D317 HydrophobicContact CD1-CB 3.58Å; F65-D317 VanDerWaalsContact CD1-CG 3.48Å; F65-D317 WeakPolarHBondContact CD1-OD2 3.47Å; F65-D317 HydrophobicContact CE1-CB 4.27Å; F65-D317 WeakPolarHBondContact CE1-OD2 3.22Å; F65-D317 HydrophobicContact CG-CB 4.3Å; F65-I320 HydrophobicContact CB-CG1 4.01Å; F65-I320 HydrophobicContact CD1-CG1 4.03Å; F65-I320 HydrophobicContact CD2-CD1 3.98Å; F65-I320 HydrophobicContact CD2-CG1 3.8Å; F65-I320 HydrophobicContact CE1-CG1 4.42Å; F65-I320 HydrophobicContact CE2-CD1 4.13Å; F65-I320 HydrophobicContact CE2-CG1 4.24Å; F65-I320 HydrophobicContact CG-CD1 4.38Å; F65-I320 HydrophobicContact CG-CG1 3.69Å |
| 66 | T | 98.9 | Very high | 97.9 | Very high | 18 Ų | 18 | 44 Ų | 44 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.1 | -47.7 | 177.7 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | A62 R63 L64 Q69 Q70 I314 P315 D317 | A62-T66 PolarHBondContact O-N 2.88Å; A62-T66 PolarHBondContact O-OG1 2.97Å; R63-T66 PolarHBondContact O-N 2.91Å; L64-T66 VanDerWaalsContact C-N 3.34Å; L64-T66 PolarHBondContact O-N 2.83Å; T66-Q69 PolarHBondContact O-N 3.02Å; T66-Q70 VanDerWaalsContact O-CG 3.3Å; T66-Q70 WeakPolarHBondContact O-CG 3.48Å; T66-Q70 PolarHBondContact O-N 2.91Å; T66-I314 HydrophobicContact CG2-CG2 3.94Å; T66-P315 WeakPolarHBondContact CB-O 3.26Å; T66-P315 HydrophobicContact CG2-CG 4.19Å; T66-P315 PolarHBondContact OG1-O 3.2Å; T66-P315 VanDerWaalsContact OG1-O 3.06Å; T66-D317 PolarHBondContact OG1-N 3.23Å; T66-D317 VanDerWaalsContact OG1-N 3.15Å |
| 67 | K | 98.9 | Very high | 98.2 | Very high | 39 Ų | 39 | 36.9 Ų | 36.9 | 17% | 0.17 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68 | -43.8 | -178.7 | -176.6 | 55 | 62.1 | -174.8 | 0 | 112.2 | R63 L64 F65 Q69 Q70 I71 L287 I308 L310 I314 | R63-K67 PolarHBondContact O-N 3.1Å; R63-K67 VanDerWaalsContact O-N 3.14Å; L64-K67 PolarHBondContact O-N 2.71Å; L64-K67 VanDerWaalsContact O-N 3.14Å; F65-K67 VanDerWaalsContact C-N 3.34Å; F65-K67 PolarHBondContact O-N 2.81Å; K67-Q69 VanDerWaalsContact C-N 3.3Å; K67-Q69 PolarHBondContact O-N 2.89Å; K67-Q70 WeakPolarHBondContact O-CB 3.45Å; K67-Q70 PolarHBondContact O-N 3.37Å; K67-I71 HydrophobicContact CD-CD1 4.01Å; K67-I71 HydrophobicContact CD-CG1 4.29Å; K67-I71 HydrophobicContact CG-CD1 4.03Å; K67-I71 WeakPolarHBondContact O-CG1 3.39Å; K67-I71 PolarHBondContact O-N 3.3Å; K67-I71 VanDerWaalsContact O-N 3.1Å; K67-L287 HydrophobicContact CB-CD2 4.29Å; K67-L287 HydrophobicContact CG-CD2 3.77Å; K67-I308 HydrophobicContact CD-CD1 4.19Å; K67-I308 HydrophobicContact CD-CG2 4.33Å; K67-I308 HydrophobicContact CG-CD1 4.29Å; K67-I308 HydrophobicContact CG-CG2 4.33Å; K67-L310 HydrophobicContact CB-CD2 3.93Å; K67-L310 HydrophobicContact CG-CD2 4.17Å; K67-I314 HydrophobicContact CB-CG2 4.4Å |
| 68 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.4 | -46.3 | 175.6 | 166.7 | 0 | 0 | 0 | 0 | 110.7 | L32 L64 F65 Q70 I71 R72 L80 L287 | L32-V68 HydrophobicContact CD1-CB 4.46Å; L32-V68 HydrophobicContact CD1-CG1 4.28Å; L32-V68 HydrophobicContact CD1-CG2 4.25Å; L64-V68 HydrophobicContact CD1-CG2 3.82Å; L64-V68 HydrophobicContact CG-CG2 4.2Å; L64-V68 WeakPolarHBondContact O-CB 3.24Å; L64-V68 WeakPolarHBondContact O-CG2 3.44Å; L64-V68 PolarHBondContact O-N 2.68Å; F65-V68 PolarHBondContact O-N 3.04Å; V68-Q70 PolarHBondContact O-N 3.46Å; V68-I71 PolarHBondContact O-N 3.11Å; V68-R72 HydrophobicContact CG1-CG 4.43Å; V68-R72 WeakPolarHBondContact O-CG 3.41Å; V68-R72 PolarHBondContact O-N 3.49Å; V68-L80 HydrophobicContact CG1-CD2 4.01Å; V68-L80 HydrophobicContact CG2-CD1 4.14Å; V68-L80 HydrophobicContact CG2-CD2 4.14Å; V68-L287 HydrophobicContact CG2-CD1 4.5Å; V68-L287 HydrophobicContact CG2-CD2 3.91Å |
| 69 | Q | 98.8 | Very high | 98.5 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.8 | -32.2 | -178.4 | -66.4 | -72.1 | 104.2 | 0 | 0 | 112.7 | F65 T66 K67 R73 | F65-Q69 HydrophobicContact CD1-CG 3.86Å; F65-Q69 HydrophobicContact CD2-CG 4.44Å; F65-Q69 HydrophobicContact CE1-CG 3.63Å; F65-Q69 HydrophobicContact CE2-CG 4.21Å; F65-Q69 HydrophobicContact CG-CG 4.28Å; F65-Q69 HydrophobicContact CZ-CG 3.81Å; F65-Q69 WeakPolarHBondContact O-CB 3.35Å; F65-Q69 WeakPolarHBondContact O-CG 3.43Å; F65-Q69 PolarHBondContact O-N 2.96Å; T66-Q69 PolarHBondContact O-N 3.02Å; K67-Q69 VanDerWaalsContact C-N 3.3Å; K67-Q69 PolarHBondContact O-N 2.89Å; Q69-R73 WeakPolarHBondContact O-CD 3.41Å; Q69-R73 VanDerWaalsContact O-CG 3.26Å; Q69-R73 WeakPolarHBondContact O-CG 3.49Å; Q69-R73 PolarHBondContact O-N 3.5Å |
| 70 | Q | 98.8 | Very high | 98.5 | Very high | 82 Ų | 82 | 37.2 Ų | 37.2 | 38% | 0.383 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 171 | -74.4 | 170.9 | 3.4 | 0 | 0 | 111 | T66 K67 V68 R73 A74 | T66-Q70 VanDerWaalsContact O-CG 3.3Å; T66-Q70 WeakPolarHBondContact O-CG 3.48Å; T66-Q70 PolarHBondContact O-N 2.91Å; K67-Q70 WeakPolarHBondContact O-CB 3.45Å; K67-Q70 PolarHBondContact O-N 3.37Å; V68-Q70 PolarHBondContact O-N 3.46Å; Q70-R73 PolarHBondContact O-N 3.42Å; Q70-A74 PolarHBondContact O-N 2.82Å |
| 71 | I | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.7 | -44.8 | -177.8 | -62.9 | 166.7 | 0 | 0 | 0 | 110.9 | T30 L32 K67 V68 R73 A74 E75 L287 Y289 I308 | T30-I71 HydrophobicContact CG2-CG2 4.03Å; L32-I71 HydrophobicContact CD1-CB 4.22Å; L32-I71 HydrophobicContact CD1-CD1 4.3Å; L32-I71 HydrophobicContact CD1-CG2 4.17Å; L32-I71 HydrophobicContact CD2-CD1 3.65Å; L32-I71 HydrophobicContact CD2-CG2 4.1Å; L32-I71 HydrophobicContact CG-CG2 4.49Å; K67-I71 HydrophobicContact CD-CD1 4.01Å; K67-I71 HydrophobicContact CD-CG1 4.29Å; K67-I71 HydrophobicContact CG-CD1 4.03Å; K67-I71 WeakPolarHBondContact O-CG1 3.39Å; K67-I71 PolarHBondContact O-N 3.3Å; K67-I71 VanDerWaalsContact O-N 3.1Å; V68-I71 PolarHBondContact O-N 3.11Å; I71-R73 PolarHBondContact O-N 3.4Å; I71-R73 VanDerWaalsContact O-N 3.09Å; I71-A74 PolarHBondContact O-N 3.21Å; I71-E75 HydrophobicContact CG2-CB 4.36Å; I71-E75 HydrophobicContact CG2-CG 3.79Å; I71-E75 PolarHBondContact O-N 3.39Å; I71-L287 HydrophobicContact CD1-CD2 4.11Å; I71-Y289 HydrophobicContact CD1-CD2 3.96Å; I71-Y289 HydrophobicContact CD1-CE2 4.32Å; I71-Y289 HydrophobicContact CG2-CD2 4.47Å; I71-Y289 HydrophobicContact CG2-CE2 4.04Å; I71-I308 HydrophobicContact CD1-CD1 3.78Å |
| 72 | R | 98.7 | Very high | 98.6 | Very high | 53 Ų | 53 | 36.4 Ų | 36.4 | 20% | 0.2 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -22 | 175.7 | -76.9 | 179 | 168.1 | 158.1 | -5.6 | 114.7 | V68 V78 L108 R109 D111 | V68-R72 HydrophobicContact CG1-CG 4.43Å; V68-R72 WeakPolarHBondContact O-CG 3.41Å; V68-R72 PolarHBondContact O-N 3.49Å; R72-V78 HydrophobicContact CG-CB 4.23Å; R72-V78 HydrophobicContact CG-CG1 4.04Å; R72-V78 HydrophobicContact CG-CG2 4.48Å; R72-L108 PolarHBondContact NH1-O 3Å; R72-R109 PolarHBondContact NH2-O 2.59Å; R72-D111 IonicContact NH2-OD2 2.69Å; R72-D111 PolarHBondContact NH2-OD2 3.25Å |
| 73 | R | 98.6 | Very high | 98.6 | Very high | 211 Ų | 211 | 36.4 Ų | 36.4 | 80% | 0.796 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -86.1 | -24.4 | 174.6 | -71.6 | 171.3 | -175.3 | 177.9 | 2.6 | 112.7 | Q69 Q70 I71 | Q69-R73 WeakPolarHBondContact O-CD 3.41Å; Q69-R73 VanDerWaalsContact O-CG 3.26Å; Q69-R73 WeakPolarHBondContact O-CG 3.49Å; Q69-R73 PolarHBondContact O-N 3.5Å; Q70-R73 PolarHBondContact O-N 3.42Å; I71-R73 PolarHBondContact O-N 3.4Å; I71-R73 VanDerWaalsContact O-N 3.09Å |
| 74 | A | 98.4 | Very high | 98.5 | Very high | 77 Ų | 77 | 36 Ų | 36 | 64% | 0.636 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -95.5 | -32.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q70 I71 | Q70-A74 PolarHBondContact O-N 2.82Å; I71-A74 PolarHBondContact O-N 3.21Å |
| 75 | E | 97.9 | Very high | 98.4 | Very high | 35 Ų | 35 | 35.6 Ų | 35.6 | 16% | 0.164 | 18% | 0.18 | C | C | . | . | trans | -111.1 | 134.4 | -174.6 | -54.9 | -70.8 | -176.8 | 0 | 0 | 110 | T30 I71 V78 Y289 K291 | T30-E75 HydrophobicContact CG2-CG 4.49Å; I71-E75 HydrophobicContact CG2-CB 4.36Å; I71-E75 HydrophobicContact CG2-CG 3.79Å; I71-E75 PolarHBondContact O-N 3.39Å; E75-V78 HydrophobicContact CB-CG2 3.65Å; E75-V78 WeakPolarHBondContact O-CG2 3.4Å; E75-Y289 PolarHBondContact OE1-OH 3.43Å; E75-K291 IonicContact OE1-NZ 2.97Å; E75-K291 PolarHBondContact OE1-NZ 2.82Å; E75-K291 IonicContact OE2-NZ 2.84Å; E75-K291 PolarHBondContact OE2-NZ 3.16Å | ||
| 76 | P | 96.2 | Very high | 98.3 | Very high | 105 Ų | 105 | 34.5 Ų | 34.5 | 68% | 0.682 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -75.6 | -37.1 | -173.7 | 28 | -34 | 0 | 0 | 0 | 113.4 | ||
| 77 | N | 98.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -117.4 | 99.9 | -173.1 | -59.6 | -37.6 | 0 | 0 | 0 | 108.7 | W27 E28 L29 T30 V166 | W27-N77 HydrophobicContact CZ2-CB 4.03Å; W27-N77 PolarHBondContact NE1-ND2 2.77Å; W27-N77 VanDerWaalsContact NE1-ND2 3.17Å; E28-N77 VanDerWaalsContact O-CB 3.26Å; E28-N77 WeakPolarHBondContact O-CB 3.41Å; E28-N77 PolarHBondContact O-ND2 2.93Å; L29-N77 HydrophobicContact CD1-CB 4.41Å; T30-N77 PolarHBondContact N-O 3.01Å; N77-V166 HydrophobicContact CB-CG1 3.69Å |
| 78 | V | 98.9 | Very high | 97.6 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 13% | 0.127 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131 | -175.1 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | T30 L32 R72 E75 | T30-V78 WeakPolarHBondContact O-CA 3.48Å; L32-V78 HydrophobicContact CD1-CG1 3.7Å; L32-V78 HydrophobicContact CG-CG1 3.83Å; R72-V78 HydrophobicContact CG-CB 4.23Å; R72-V78 HydrophobicContact CG-CG1 4.04Å; R72-V78 HydrophobicContact CG-CG2 4.48Å; E75-V78 HydrophobicContact CB-CG2 3.65Å; E75-V78 WeakPolarHBondContact O-CG2 3.4Å |
| 79 | L | 98.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 132.9 | 165.1 | -71.2 | 173.5 | 0 | 0 | 0 | 109.2 | L29 T30 L32 L81 D111 L164 V166 V171 I173 I216 | L29-L79 HydrophobicContact CD1-CD1 4.17Å; L29-L79 HydrophobicContact CD1-CG 4.14Å; L29-L79 HydrophobicContact CD2-CD1 4.27Å; T30-L79 PolarHBondContact O-N 3.45Å; L32-L79 PolarHBondContact N-O 2.99Å; L79-L81 HydrophobicContact CB-CD2 4.13Å; L79-L81 HydrophobicContact CB-CG 4.26Å; L79-D111 HydrophobicContact CD2-CB 3.8Å; L79-L164 HydrophobicContact CD2-CD1 4Å; L79-V166 HydrophobicContact CD1-CG2 4.14Å; L79-V166 HydrophobicContact CD2-CG2 3.79Å; L79-V166 HydrophobicContact CG-CG2 3.98Å; L79-V171 HydrophobicContact CD1-CB 4.23Å; L79-V171 HydrophobicContact CD1-CG1 4.08Å; L79-V171 HydrophobicContact CD1-CG2 4.44Å; L79-I173 HydrophobicContact CD1-CD1 4.27Å; L79-I216 HydrophobicContact CD1-CD1 4.05Å |
| 80 | L | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 111.1 | 169.3 | 178 | 64.6 | 0 | 0 | 0 | 109.5 | L32 V68 L108 Y110 D111 L287 | L32-L80 HydrophobicContact CB-CB 4.37Å; L32-L80 HydrophobicContact CB-CD1 3.6Å; L32-L80 CarbonylContact O-C 3.49Å; L32-L80 WeakPolarHBondContact O-CA 3.43Å; V68-L80 HydrophobicContact CG1-CD2 4.01Å; V68-L80 HydrophobicContact CG2-CD1 4.14Å; V68-L80 HydrophobicContact CG2-CD2 4.14Å; L80-L108 HydrophobicContact CD2-CB 4.31Å; L80-Y110 HydrophobicContact CD1-CD1 4.41Å; L80-Y110 HydrophobicContact CD1-CE1 3.91Å; L80-Y110 HydrophobicContact CD2-CD1 4.03Å; L80-Y110 HydrophobicContact CD2-CD2 3.92Å; L80-Y110 HydrophobicContact CD2-CE1 3.99Å; L80-Y110 HydrophobicContact CD2-CE2 3.92Å; L80-Y110 HydrophobicContact CD2-CG 3.98Å; L80-Y110 HydrophobicContact CG-CD1 3.62Å; L80-Y110 HydrophobicContact CG-CD2 4.43Å; L80-Y110 HydrophobicContact CG-CE1 3.6Å; L80-Y110 HydrophobicContact CG-CE2 4.46Å; L80-Y110 HydrophobicContact CG-CG 4.05Å; L80-D111 PolarHBondContact N-OD2 2.97Å; L80-D111 PolarHBondContact O-N 3.45Å; L80-L287 HydrophobicContact CD1-CD1 4.24Å |
| 81 | L | 99 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 146.7 | -173.1 | -53.2 | -177.1 | 0 | 0 | 0 | 111.1 | I31 L32 H33 T34 L79 D111 A112 I173 I216 L218 | I31-L81 HydrophobicContact CG2-CD1 3.9Å; I31-L81 HydrophobicContact CG2-CG 4.37Å; L32-L81 PolarHBondContact O-N 3.18Å; H33-L81 CarbonylContact C-O 3.56Å; H33-L81 WeakPolarHBondContact CA-O 3.44Å; H33-L81 HydrophobicContact CB-CB 4.49Å; T34-L81 PolarHBondContact N-O 2.92Å; L79-L81 HydrophobicContact CB-CD2 4.13Å; L79-L81 HydrophobicContact CB-CG 4.26Å; L81-D111 HydrophobicContact CD2-CB 4.36Å; L81-A112 WeakPolarHBondContact CA-O 3.36Å; L81-A112 HydrophobicContact CD2-CB 4.03Å; L81-I173 HydrophobicContact CD1-CD1 4.41Å; L81-I173 HydrophobicContact CD2-CD1 3.63Å; L81-I216 HydrophobicContact CD1-CD1 4.14Å; L81-I216 HydrophobicContact CD1-CG2 4.18Å; L81-L218 HydrophobicContact CB-CD1 3.94Å; L81-L218 HydrophobicContact CB-CD2 4.04Å; L81-L218 HydrophobicContact CD1-CD1 4.45Å; L81-L218 HydrophobicContact CD2-CD2 4.44Å |
| 82 | D | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.9 | 170.1 | -170.9 | -97.8 | 0 | 0 | 0 | 110.7 | T34 G84 Q86 M105 Y110 A112 M113 A114 | T34-D82 CarbonylContact O-C 3.42Å; T34-D82 WeakPolarHBondContact O-CA 3.37Å; T34-D82 PolarHBondContact OG1-OD2 3.21Å; D82-G84 VanDerWaalsContact C-N 3.35Å; D82-G84 WeakPolarHBondContact OD1-CA 3.46Å; D82-G84 PolarHBondContact OD1-N 3.1Å; D82-Q86 PolarHBondContact OD2-NE2 2.98Å; D82-M105 HydrophobicContact CB-CE 3.67Å; D82-Y110 HydrophobicContact CB-CD1 3.86Å; D82-Y110 HydrophobicContact CB-CE1 3.71Å; D82-A112 PolarHBondContact N-O 3.06Å; D82-M113 HydrophobicContact CB-CB 4.18Å; D82-M113 HydrophobicContact CB-CG 4.04Å; D82-M113 CarbonylContact O-C 3.59Å; D82-M113 VanDerWaalsContact O-CA 3.29Å; D82-M113 WeakPolarHBondContact O-CA 3.16Å; D82-A114 PolarHBondContact O-N 3.39Å |
| 83 | A | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -97.2 | 26.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T34 N35 L218 H220 G241 | T34-A83 PolarHBondContact O-N 3.38Å; N35-A83 HydrophobicContact CB-CB 3.88Å; A83-L218 HydrophobicContact CB-CD1 3.91Å; A83-H220 VanDerWaalsContact O-CB 3.31Å; A83-H220 WeakPolarHBondContact O-CB 3.48Å; A83-H220 PolarHBondContact O-ND1 3.04Å; A83-G241 VanDerWaalsContact CB-C 3.48Å; A83-G241 WeakPolarHBondContact CB-O 3.45Å | ||
| 84 | G | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 92.8 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D36 D82 A114 | D36-G84 PolarHBondContact N-O 2.48Å; D82-G84 VanDerWaalsContact C-N 3.35Å; D82-G84 WeakPolarHBondContact OD1-CA 3.46Å; D82-G84 PolarHBondContact OD1-N 3.1Å; G84-A114 WeakPolarHBondContact CA-O 3.41Å; G84-A114 PolarHBondContact N-O 2.94Å |
| 85 | D | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.011 | 9% | 0.091 | C | C | . | . | trans | 60.9 | 47.1 | -177.2 | -77.4 | 7 | 0 | 0 | 0 | 113.7 | D36 V37 H38 G116 N117 H118 E119 H220 | D36-D85 CarbonylContact C-O 3.58Å; V37-D85 PolarHBondContact N-O 3.14Å; V37-D85 VanDerWaalsContact N-O 3.16Å; H38-D85 IonicContact CE1-OD2 3.97Å; H38-D85 PolarHBondContact CE1-OD2 2.71Å; H38-D85 PolarHBondContact N-O 2.93Å; D85-G116 WeakPolarHBondContact OD1-CA 3.43Å; D85-N117 PolarHBondContact OD1-N 3.08Å; D85-H118 WeakPolarHBondContact OD1-CB 3.35Å; D85-H118 IonicContact OD1-CD2 2.75Å; D85-H118 PolarHBondContact OD1-N 2.72Å; D85-H118 IonicContact OD2-CD2 2.96Å; D85-H118 PolarHBondContact OD2-CD2 3.48Å; D85-H118 VanDerWaalsContact OD2-CD2 3.23Å; D85-E119 WeakPolarHBondContact CA-OE1 3.35Å; D85-E119 PolarHBondContact N-OE1 3.13Å; D85-E119 PolarHBondContact N-OE2 3.33Å; D85-H220 VanDerWaalsContact CB-CE1 3.43Å; D85-H220 WeakPolarHBondContact CB-CE1 3.34Å; D85-H220 IonicContact OD1-CD2 2.99Å; D85-H220 IonicContact OD1-CE1 3.69Å; D85-H220 IonicContact OD1-NE2 2.81Å; D85-H220 PolarHBondContact OD1-NE2 3.05Å; D85-H220 IonicContact OD2-CE1 3.75Å; D85-H220 PolarHBondContact OD2-CE1 2.68Å; D85-H220 VanDerWaalsContact OD2-CE1 3.24Å; D85-H220 IonicContact OD2-NE2 2.73Å; D85-H220 PolarHBondContact OD2-NE2 3.17Å | ||
| 86 | Q | 97.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | trans | -74.2 | -39.5 | 162.7 | -73.4 | -78 | -13.8 | 0 | 0 | 110.4 | S39 D82 V101 M105 M113 E119 | S39-Q86 PolarHBondContact N-O 3.43Å; S39-Q86 PolarHBondContact OG-O 3.08Å; D82-Q86 PolarHBondContact OD2-NE2 2.98Å; Q86-V101 HydrophobicContact CB-CB 4.43Å; Q86-V101 HydrophobicContact CB-CG1 3.52Å; Q86-V101 HydrophobicContact CB-CG2 3.98Å; Q86-V101 HydrophobicContact CG-CG1 4.04Å; Q86-M105 HydrophobicContact CG-CE 4.34Å; Q86-M105 HydrophobicContact CG-SD 3.74Å; Q86-M113 HydrophobicContact CB-CE 4.08Å; Q86-M113 HydrophobicContact CG-CE 3.89Å; Q86-E119 PolarHBondContact N-OE1 2.85Å | ||
| 87 | Y | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -63 | 158.9 | 176.3 | -84 | 28.7 | 0 | 0 | 0 | 111.7 | H38 F93 G98 V101 H118 E119 G126 L131 | H38-Y87 PolarHBondContact ND1-O 2.95Å; Y87-F93 HydrophobicContact CD1-CD2 4.42Å; Y87-F93 AromaticContact CD1-CE2 3.94Å; Y87-F93 HydrophobicContact CD1-CE2 3.94Å; Y87-F93 HydrophobicContact CD2-CD2 4.37Å; Y87-F93 AromaticContact CD2-CE2 3.24Å; Y87-F93 HydrophobicContact CD2-CE2 3.24Å; Y87-F93 AromaticContact CD2-CZ 3.46Å; Y87-F93 HydrophobicContact CD2-CZ 3.46Å; Y87-F93 VanDerWaalsContact CD2-CZ 3.46Å; Y87-F93 HydrophobicContact CE1-CE2 4.32Å; Y87-F93 AromaticContact CE2-CE2 3.71Å; Y87-F93 HydrophobicContact CE2-CE2 3.71Å; Y87-F93 HydrophobicContact CE2-CZ 4.11Å; Y87-F93 HydrophobicContact CG-CD2 4.1Å; Y87-F93 AromaticContact CG-CE2 3.36Å; Y87-F93 HydrophobicContact CG-CE2 3.36Å; Y87-F93 AromaticContact CG-CZ 3.86Å; Y87-F93 HydrophobicContact CG-CZ 3.86Å; Y87-G98 VanDerWaalsContact CE1-CA 3.44Å; Y87-V101 HydrophobicContact CD1-CB 4.39Å; Y87-V101 HydrophobicContact CD1-CG1 4.48Å; Y87-V101 HydrophobicContact CD1-CG2 4.03Å; Y87-V101 HydrophobicContact CE1-CB 4.22Å; Y87-V101 HydrophobicContact CE1-CG1 4.42Å; Y87-V101 HydrophobicContact CE1-CG2 4.29Å; Y87-H118 VanDerWaalsContact CB-O 3.27Å; Y87-H118 WeakPolarHBondContact CB-O 3.34Å; Y87-E119 WeakPolarHBondContact CB-OE1 3.19Å; Y87-E119 HydrophobicContact CD1-CG 4.32Å; Y87-E119 HydrophobicContact CD2-CB 4.47Å; Y87-E119 HydrophobicContact CD2-CG 4.47Å; Y87-E119 HydrophobicContact CG-CG 4.18Å; Y87-E119 PolarHBondContact N-OE1 2.82Å; Y87-G126 PolarHBondContact OH-O 2.84Å; Y87-G126 VanDerWaalsContact OH-O 3.11Å; Y87-L131 HydrophobicContact CD1-CD2 4.49Å; Y87-L131 HydrophobicContact CE1-CB 4.05Å; Y87-L131 HydrophobicContact CE1-CD2 3.82Å; Y87-L131 HydrophobicContact CE1-CG 4.4Å; Y87-L131 WeakPolarHBondContact OH-CB 3.44Å |
| 88 | Q | 87.1 | Confident | 93.7 | Very high | 7 Ų | 7 | 13.9 Ų | 13.9 | 3% | 0.033 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 66.4 | 155.1 | 177.9 | -163.9 | 56.1 | -82.8 | 0 | 0 | 115.2 | H38 S39 F93 H118 D121 P416 F417 | H38-Q88 CarbonylContact C-O 3.58Å; H38-Q88 WeakPolarHBondContact CA-O 3.33Å; H38-Q88 WeakPolarHBondContact CB-O 3.38Å; S39-Q88 WeakPolarHBondContact CB-O 3.39Å; S39-Q88 PolarHBondContact N-O 3.41Å; S39-Q88 PolarHBondContact OG-N 2.87Å; S39-Q88 PolarHBondContact OG-O 2.83Å; Q88-F93 VanDerWaalsContact CA-CD1 3.47Å; Q88-F93 HydrophobicContact CB-CD1 4.28Å; Q88-F93 HydrophobicContact CB-CE1 4.33Å; Q88-H118 HydrophobicContact CB-CB 3.95Å; Q88-D121 WeakPolarHBondContact CB-OD2 3.42Å; Q88-D121 VanDerWaalsContact CG-OD2 3.26Å; Q88-D121 WeakPolarHBondContact CG-OD2 3.45Å; Q88-D121 PolarHBondContact NE2-OD2 2.78Å; Q88-P416 HydrophobicContact CG-CG 4.24Å; Q88-P416 VanDerWaalsContact OE1-CB 3.29Å; Q88-P416 PolarHBondContact OE1-O 2.9Å; Q88-F417 HydrophobicContact CG-CD1 4.18Å; Q88-F417 HydrophobicContact CG-CE1 4.03Å |
| 89 | G | 83.8 | Confident | 93.7 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 120.2 | -19.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | R40 | R40-G89 VanDerWaalsContact NH1-C 3.34Å; R40-G89 PolarHBondContact NH1-O 3.15Å |
| 90 | T | 87.6 | Confident | 93.6 | Very high | 17 Ų | 17 | 13.7 Ų | 13.7 | 10% | 0.104 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -142.9 | 173.7 | 172.7 | 73.2 | 0 | 0 | 0 | 0 | 111.5 | S39 W92 F93 T94 | S39-T90 WeakPolarHBondContact CB-OG1 3.38Å; S39-T90 VanDerWaalsContact O-CG2 3.31Å; S39-T90 WeakPolarHBondContact O-CG2 3.49Å; S39-T90 PolarHBondContact O-OG1 2.93Å; T90-W92 PolarHBondContact O-N 2.93Å; T90-W92 VanDerWaalsContact O-N 3.09Å; T90-W92 WeakPolarHBondContact OG1-CB 3.45Å; T90-W92 PolarHBondContact OG1-N 2.91Å; T90-F93 PolarHBondContact O-N 2.89Å; T90-T94 PolarHBondContact O-N 2.97Å; T90-T94 PolarHBondContact O-OG1 2.89Å |
| 91 | I | 88.8 | Confident | 93.6 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.9 | -20.7 | 173.1 | 60.9 | 166.9 | 0 | 0 | 0 | 114.1 | T94 V95 L331 E409 A412 | I91-T94 PolarHBondContact O-N 2.86Å; I91-V95 WeakPolarHBondContact O-CG2 3.46Å; I91-V95 PolarHBondContact O-N 2.95Å; I91-L331 HydrophobicContact CD1-CB 3.74Å; I91-L331 HydrophobicContact CD1-CD1 4.16Å; I91-L331 HydrophobicContact CD1-CD2 4.43Å; I91-L331 HydrophobicContact CD1-CG 4.33Å; I91-L331 HydrophobicContact CG1-CD1 4.24Å; I91-E409 HydrophobicContact CD1-CB 4.15Å; I91-E409 HydrophobicContact CD1-CG 3.73Å; I91-E409 HydrophobicContact CG1-CG 4.17Å; I91-E409 HydrophobicContact CG2-CB 4.39Å; I91-E409 HydrophobicContact CG2-CG 4.36Å; I91-A412 HydrophobicContact CG2-CB 3.41Å; I91-A412 VanDerWaalsContact CG2-CB 3.41Å |
| 92 | W | 92.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.015 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.4 | -52.8 | 175.7 | -77.1 | 86.5 | 0 | 0 | 0 | 110 | L41 E42 T90 T94 V95 Y96 E100 F104 I324 W327 R328 L331 | L41-W92 HydrophobicContact CB-CD2 4.04Å; L41-W92 HydrophobicContact CB-CE3 4.35Å; L41-W92 HydrophobicContact CB-CG 4.34Å; L41-W92 HydrophobicContact CD2-CB 4.36Å; L41-W92 HydrophobicContact CD2-CG 4.5Å; L41-W92 HydrophobicContact CG-CD2 4.3Å; L41-W92 HydrophobicContact CG-CE3 4.28Å; E42-W92 HydrophobicContact CG-CZ2 3.75Å; E42-W92 PolarHBondContact OE1-NE1 3.42Å; T90-W92 PolarHBondContact O-N 2.93Å; T90-W92 VanDerWaalsContact O-N 3.09Å; T90-W92 WeakPolarHBondContact OG1-CB 3.45Å; T90-W92 PolarHBondContact OG1-N 2.91Å; W92-T94 PolarHBondContact O-N 3.15Å; W92-V95 PolarHBondContact O-N 3.21Å; W92-Y96 AromaticContact CE3-CD2 3.8Å; W92-Y96 HydrophobicContact CE3-CD2 3.8Å; W92-Y96 AromaticContact CE3-CE2 3.84Å; W92-Y96 HydrophobicContact CE3-CE2 3.84Å; W92-Y96 HydrophobicContact CZ3-CD2 4.31Å; W92-Y96 AromaticContact CZ3-CE2 3.97Å; W92-Y96 HydrophobicContact CZ3-CE2 3.97Å; W92-Y96 VanDerWaalsContact O-CB 3.31Å; W92-Y96 WeakPolarHBondContact O-CB 3.38Å; W92-Y96 WeakPolarHBondContact O-CD2 3.34Å; W92-Y96 PolarHBondContact O-N 3.22Å; W92-E100 HydrophobicContact CB-CG 4.34Å; W92-E100 HydrophobicContact CE3-CB 4.2Å; W92-E100 HydrophobicContact CE3-CG 4.42Å; W92-F104 HydrophobicContact CZ3-CE2 4.32Å; W92-I324 HydrophobicContact CH2-CG2 3.88Å; W92-I324 WeakPolarHBondContact CH2-O 3.45Å; W92-I324 HydrophobicContact CZ2-CG2 3.85Å; W92-W327 HydrophobicContact CH2-CB 3.72Å; W92-W327 HydrophobicContact CZ3-CB 3.5Å; W92-W327 VanDerWaalsContact CZ3-CB 3.5Å; W92-W327 HydrophobicContact CZ3-CG 4.36Å; W92-R328 HydrophobicContact CH2-CB 4.45Å; W92-R328 HydrophobicContact CZ2-CB 4.32Å; W92-L331 HydrophobicContact CD2-CD1 3.5Å; W92-L331 VanDerWaalsContact CD2-CD1 3.5Å; W92-L331 VanDerWaalsContact CE2-CD1 3.44Å; W92-L331 HydrophobicContact CE3-CD1 3.95Å; W92-L331 HydrophobicContact CG-CD1 3.83Å; W92-L331 HydrophobicContact CH2-CD1 4.28Å; W92-L331 HydrophobicContact CZ2-CD1 3.86Å; W92-L331 HydrophobicContact CZ3-CD1 4.33Å |
| 93 | F | 91.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.013 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -67.1 | -37.5 | 177.1 | -177.1 | -112 | 0 | 0 | 0 | 112.8 | S39 Y87 Q88 T90 V95 K97 E100 D121 N122 | S39-F93 WeakPolarHBondContact OG-CB 3.18Å; Y87-F93 HydrophobicContact CD1-CD2 4.42Å; Y87-F93 AromaticContact CD1-CE2 3.94Å; Y87-F93 HydrophobicContact CD1-CE2 3.94Å; Y87-F93 HydrophobicContact CD2-CD2 4.37Å; Y87-F93 AromaticContact CD2-CE2 3.24Å; Y87-F93 HydrophobicContact CD2-CE2 3.24Å; Y87-F93 AromaticContact CD2-CZ 3.46Å; Y87-F93 HydrophobicContact CD2-CZ 3.46Å; Y87-F93 VanDerWaalsContact CD2-CZ 3.46Å; Y87-F93 HydrophobicContact CE1-CE2 4.32Å; Y87-F93 AromaticContact CE2-CE2 3.71Å; Y87-F93 HydrophobicContact CE2-CE2 3.71Å; Y87-F93 HydrophobicContact CE2-CZ 4.11Å; Y87-F93 HydrophobicContact CG-CD2 4.1Å; Y87-F93 AromaticContact CG-CE2 3.36Å; Y87-F93 HydrophobicContact CG-CE2 3.36Å; Y87-F93 AromaticContact CG-CZ 3.86Å; Y87-F93 HydrophobicContact CG-CZ 3.86Å; Q88-F93 VanDerWaalsContact CA-CD1 3.47Å; Q88-F93 HydrophobicContact CB-CD1 4.28Å; Q88-F93 HydrophobicContact CB-CE1 4.33Å; T90-F93 PolarHBondContact O-N 2.89Å; F93-V95 PolarHBondContact O-N 2.83Å; F93-K97 VanDerWaalsContact O-CA 3.24Å; F93-K97 WeakPolarHBondContact O-CA 3.5Å; F93-K97 PolarHBondContact O-N 2.99Å; F93-E100 WeakPolarHBondContact CA-OE1 3.12Å; F93-D121 HydrophobicContact CE1-CB 4.37Å; F93-D121 HydrophobicContact CZ-CB 4.49Å; F93-N122 WeakPolarHBondContact CZ-ND2 3.48Å |
| 94 | T | 86.4 | Confident | 93.6 | Very high | 61 Ų | 61 | 16.7 Ų | 16.7 | 37% | 0.374 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -56.7 | -39.6 | 177.1 | -49.3 | 0 | 0 | 0 | 0 | 111.8 | T90 I91 W92 K97 | T90-T94 PolarHBondContact O-N 2.97Å; T90-T94 PolarHBondContact O-OG1 2.89Å; I91-T94 PolarHBondContact O-N 2.86Å; W92-T94 PolarHBondContact O-N 3.15Å; T94-K97 WeakPolarHBondContact O-CE 3.35Å |
| 95 | V | 90.4 | Very high | 93.7 | Very high | 25 Ų | 25 | 17 Ų | 17 | 15% | 0.152 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -93.7 | -36.6 | -174.9 | 173.9 | 0 | 0 | 0 | 0 | 113.3 | I91 W92 F93 K330 L331 Y334 | I91-V95 WeakPolarHBondContact O-CG2 3.46Å; I91-V95 PolarHBondContact O-N 2.95Å; W92-V95 PolarHBondContact O-N 3.21Å; F93-V95 PolarHBondContact O-N 2.83Å; V95-K330 HydrophobicContact CG1-CD 3.68Å; V95-K330 HydrophobicContact CG1-CG 4.04Å; V95-L331 HydrophobicContact CB-CD2 3.49Å; V95-L331 VanDerWaalsContact CB-CD2 3.49Å; V95-L331 HydrophobicContact CG1-CD2 3.73Å; V95-L331 HydrophobicContact CG2-CD2 3.52Å; V95-Y334 HydrophobicContact CG2-CD2 4.38Å; V95-Y334 HydrophobicContact CG2-CE2 3.78Å |
| 96 | Y | 94.6 | Very high | 93.9 | Very high | 34 Ų | 34 | 18.1 Ų | 18.1 | 13% | 0.133 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -103.1 | -13.3 | -173.9 | -67.5 | -66.2 | 0 | 0 | 0 | 114.5 | W92 G98 A99 E100 W327 K330 L331 | W92-Y96 AromaticContact CE3-CD2 3.8Å; W92-Y96 HydrophobicContact CE3-CD2 3.8Å; W92-Y96 AromaticContact CE3-CE2 3.84Å; W92-Y96 HydrophobicContact CE3-CE2 3.84Å; W92-Y96 HydrophobicContact CZ3-CD2 4.31Å; W92-Y96 AromaticContact CZ3-CE2 3.97Å; W92-Y96 HydrophobicContact CZ3-CE2 3.97Å; W92-Y96 VanDerWaalsContact O-CB 3.31Å; W92-Y96 WeakPolarHBondContact O-CB 3.38Å; W92-Y96 WeakPolarHBondContact O-CD2 3.34Å; W92-Y96 PolarHBondContact O-N 3.22Å; Y96-G98 PolarHBondContact O-N 3.45Å; Y96-G98 VanDerWaalsContact O-N 3.1Å; Y96-A99 WeakPolarHBondContact O-CB 3.16Å; Y96-A99 PolarHBondContact O-N 3.36Å; Y96-E100 WeakPolarHBondContact CB-OE2 3.24Å; Y96-E100 HydrophobicContact CD2-CB 4.4Å; Y96-E100 HydrophobicContact CG-CB 4.35Å; Y96-W327 AromaticContact CD1-CE3 3.54Å; Y96-W327 HydrophobicContact CD1-CE3 3.54Å; Y96-W327 AromaticContact CD1-CZ3 3.52Å; Y96-W327 HydrophobicContact CD1-CZ3 3.52Å; Y96-W327 HydrophobicContact CD2-CE3 4.1Å; Y96-W327 HydrophobicContact CE1-CD2 4.35Å; Y96-W327 AromaticContact CE1-CE3 3.36Å; Y96-W327 HydrophobicContact CE1-CE3 3.36Å; Y96-W327 AromaticContact CE1-CZ3 3.76Å; Y96-W327 HydrophobicContact CE1-CZ3 3.76Å; Y96-W327 HydrophobicContact CE2-CB 4.32Å; Y96-W327 AromaticContact CE2-CE3 3.95Å; Y96-W327 HydrophobicContact CE2-CE3 3.95Å; Y96-W327 AromaticContact CG-CE3 3.91Å; Y96-W327 HydrophobicContact CG-CE3 3.91Å; Y96-W327 AromaticContact CG-CZ3 3.98Å; Y96-W327 HydrophobicContact CG-CZ3 3.98Å; Y96-W327 AromaticContact CZ-CE3 3.58Å; Y96-W327 WeakPolarHBondContact OH-CA 3.49Å; Y96-W327 PolarHBondContact OH-O 2.93Å; Y96-K330 HydrophobicContact CE1-CD 4.16Å; Y96-K330 WeakPolarHBondContact OH-CB 3.41Å; Y96-L331 HydrophobicContact CD2-CD2 4.36Å; Y96-L331 HydrophobicContact CE2-CD1 4.11Å; Y96-L331 HydrophobicContact CE2-CD2 3.84Å; Y96-L331 HydrophobicContact CE2-CG 4.03Å |
| 97 | K | 92.6 | Very high | 93.9 | Very high | 97 Ų | 97 | 19.2 Ų | 19.2 | 42% | 0.422 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 26.9 | 168 | -57.4 | -68.3 | -172.3 | -176.3 | 0 | 114.2 | F93 T94 P130 | F93-K97 VanDerWaalsContact O-CA 3.24Å; F93-K97 WeakPolarHBondContact O-CA 3.5Å; F93-K97 PolarHBondContact O-N 2.99Å; T94-K97 WeakPolarHBondContact O-CE 3.35Å; K97-P130 WeakPolarHBondContact O-CD 3.31Å |
| 98 | G | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.3 | -9.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y87 Y96 E100 V101 A102 | Y87-G98 VanDerWaalsContact CE1-CA 3.44Å; Y96-G98 PolarHBondContact O-N 3.45Å; Y96-G98 VanDerWaalsContact O-N 3.1Å; G98-E100 WeakPolarHBondContact CA-OE2 3.49Å; G98-E100 PolarHBondContact N-OE2 2.8Å; G98-E100 PolarHBondContact O-N 2.86Å; G98-V101 WeakPolarHBondContact O-CB 3.16Å; G98-V101 PolarHBondContact O-N 3.01Å; G98-V101 VanDerWaalsContact O-N 3.08Å; G98-A102 PolarHBondContact O-N 3.36Å; G98-A102 VanDerWaalsContact O-N 3.07Å |
| 99 | A | 98.2 | Very high | 94.6 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.4 | -33.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y96 V101 H103 P130 W327 | Y96-A99 WeakPolarHBondContact O-CB 3.16Å; Y96-A99 PolarHBondContact O-N 3.36Å; A99-V101 VanDerWaalsContact C-N 3.31Å; A99-H103 WeakPolarHBondContact O-CB 3.37Å; A99-H103 PolarHBondContact O-N 2.67Å; A99-P130 VanDerWaalsContact CA-CG 3.49Å; A99-P130 HydrophobicContact CB-CB 4.23Å; A99-P130 HydrophobicContact CB-CG 3.9Å; A99-W327 HydrophobicContact CB-CZ3 4.47Å |
| 100 | E | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62 | -39.4 | 171.5 | 78.9 | -70.5 | -175.3 | 0 | 0 | 111.6 | L41 W92 F93 Y96 G98 F104 W327 | L41-E100 HydrophobicContact CD2-CG 3.94Å; L41-E100 HydrophobicContact CG-CG 4.17Å; W92-E100 HydrophobicContact CB-CG 4.34Å; W92-E100 HydrophobicContact CE3-CB 4.2Å; W92-E100 HydrophobicContact CE3-CG 4.42Å; F93-E100 WeakPolarHBondContact CA-OE1 3.12Å; Y96-E100 WeakPolarHBondContact CB-OE2 3.24Å; Y96-E100 HydrophobicContact CD2-CB 4.4Å; Y96-E100 HydrophobicContact CG-CB 4.35Å; G98-E100 WeakPolarHBondContact CA-OE2 3.49Å; G98-E100 PolarHBondContact N-OE2 2.8Å; G98-E100 PolarHBondContact O-N 2.86Å; E100-F104 HydrophobicContact CB-CD2 4.44Å; E100-F104 WeakPolarHBondContact O-CD2 3.28Å; E100-F104 PolarHBondContact O-N 2.86Å; E100-W327 HydrophobicContact CB-CE3 4.37Å; E100-W327 HydrophobicContact CB-CZ3 4.23Å |
| 101 | V | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.4 | -54.1 | 179.6 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | Q86 Y87 G98 A99 H103 F104 M105 L131 | Q86-V101 HydrophobicContact CB-CB 4.43Å; Q86-V101 HydrophobicContact CB-CG1 3.52Å; Q86-V101 HydrophobicContact CB-CG2 3.98Å; Q86-V101 HydrophobicContact CG-CG1 4.04Å; Y87-V101 HydrophobicContact CD1-CB 4.39Å; Y87-V101 HydrophobicContact CD1-CG1 4.48Å; Y87-V101 HydrophobicContact CD1-CG2 4.03Å; Y87-V101 HydrophobicContact CE1-CB 4.22Å; Y87-V101 HydrophobicContact CE1-CG1 4.42Å; Y87-V101 HydrophobicContact CE1-CG2 4.29Å; G98-V101 WeakPolarHBondContact O-CB 3.16Å; G98-V101 PolarHBondContact O-N 3.01Å; G98-V101 VanDerWaalsContact O-N 3.08Å; A99-V101 VanDerWaalsContact C-N 3.31Å; V101-H103 VanDerWaalsContact C-N 3.31Å; V101-H103 PolarHBondContact O-N 2.94Å; V101-F104 PolarHBondContact O-N 3.09Å; V101-M105 HydrophobicContact CG1-CG 4.17Å; V101-M105 HydrophobicContact CG1-SD 3.47Å; V101-M105 WeakPolarHBondContact CG1-SD 3.36Å; V101-M105 VanDerWaalsContact O-CB 3.24Å; V101-M105 WeakPolarHBondContact O-CB 3.31Å; V101-M105 VanDerWaalsContact O-CG 3.24Å; V101-M105 WeakPolarHBondContact O-CG 3.4Å; V101-M105 PolarHBondContact O-N 3.32Å; V101-L131 HydrophobicContact CG1-CD1 4.12Å |
| 102 | A | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.4 | -46.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G98 N106 L131 E134 | G98-A102 PolarHBondContact O-N 3.36Å; G98-A102 VanDerWaalsContact O-N 3.07Å; A102-N106 WeakPolarHBondContact O-CB 3.19Å; A102-N106 PolarHBondContact O-N 3.45Å; A102-N106 PolarHBondContact O-ND2 3.31Å; A102-L131 HydrophobicContact CB-CD1 4.32Å; A102-E134 HydrophobicContact CB-CB 3.8Å |
| 103 | H | 98.8 | Very high | 96.7 | Very high | 60 Ų | 60 | 27.1 Ų | 27.1 | 28% | 0.278 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.8 | -54.4 | -179.5 | 179.1 | 78 | 0 | 0 | 0 | 113 | A99 V101 N106 A107 D323 W327 | A99-H103 WeakPolarHBondContact O-CB 3.37Å; A99-H103 PolarHBondContact O-N 2.67Å; V101-H103 VanDerWaalsContact C-N 3.31Å; V101-H103 PolarHBondContact O-N 2.94Å; H103-N106 WeakPolarHBondContact O-CB 3.31Å; H103-N106 PolarHBondContact O-N 3.39Å; H103-A107 PolarHBondContact O-N 2.83Å; H103-D323 IonicContact CD2-OD2 3.84Å; H103-D323 IonicContact CE1-OD2 3.41Å; H103-D323 PolarHBondContact CE1-OD2 3.47Å; H103-D323 IonicContact NE2-OD1 3.23Å; H103-D323 IonicContact NE2-OD2 3.98Å; H103-D323 PolarHBondContact NE2-OD2 2.87Å; H103-W327 HydrophobicContact CB-CH2 4.04Å; H103-W327 HydrophobicContact CB-CZ2 3.97Å; H103-W327 AromaticContact CD2-CZ2 3.8Å; H103-W327 AromaticContact CG-CZ2 3.62Å; H103-W327 AromaticContact ND1-CZ2 3.94Å; H103-W327 AromaticContact NE2-NE1 3.91Å |
| 104 | F | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -76.1 | -33.8 | -175 | -72.9 | -67.6 | 0 | 0 | 0 | 112.6 | L41 V61 W92 E100 V101 N106 A107 L108 I320 D323 I324 | L41-F104 HydrophobicContact CD1-CB 3.95Å; L41-F104 HydrophobicContact CD1-CD2 3.41Å; L41-F104 VanDerWaalsContact CD1-CD2 3.41Å; L41-F104 HydrophobicContact CD1-CE2 4.19Å; L41-F104 HydrophobicContact CD1-CG 3.88Å; L41-F104 HydrophobicContact CG-CD2 4.22Å; V61-F104 HydrophobicContact CG1-CB 4.3Å; V61-F104 HydrophobicContact CG1-CD1 3.88Å; V61-F104 HydrophobicContact CG1-CE1 4.38Å; V61-F104 HydrophobicContact CG1-CG 4.01Å; V61-F104 HydrophobicContact CG2-CB 3.94Å; W92-F104 HydrophobicContact CZ3-CE2 4.32Å; E100-F104 HydrophobicContact CB-CD2 4.44Å; E100-F104 WeakPolarHBondContact O-CD2 3.28Å; E100-F104 PolarHBondContact O-N 2.86Å; V101-F104 PolarHBondContact O-N 3.09Å; F104-N106 VanDerWaalsContact C-N 3.32Å; F104-N106 PolarHBondContact O-N 3.36Å; F104-A107 WeakPolarHBondContact O-CB 3.17Å; F104-A107 PolarHBondContact O-N 3.29Å; F104-L108 WeakPolarHBondContact O-CD1 3.48Å; F104-L108 PolarHBondContact O-N 3.15Å; F104-I320 HydrophobicContact CD1-CG2 4.18Å; F104-I320 HydrophobicContact CE1-CG2 4.2Å; F104-D323 HydrophobicContact CE1-CB 4.25Å; F104-I324 HydrophobicContact CE1-CG1 3.74Å; F104-I324 HydrophobicContact CE2-CG1 4.46Å; F104-I324 HydrophobicContact CZ-CB 4.4Å; F104-I324 HydrophobicContact CZ-CG1 3.68Å |
| 105 | M | 98.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.3 | -37.5 | 171.9 | -67.8 | -176.1 | 77.7 | 0 | 0 | 111.6 | D82 Q86 V101 A107 L108 R109 Y110 M113 F137 | D82-M105 HydrophobicContact CB-CE 3.67Å; Q86-M105 HydrophobicContact CG-CE 4.34Å; Q86-M105 HydrophobicContact CG-SD 3.74Å; V101-M105 HydrophobicContact CG1-CG 4.17Å; V101-M105 HydrophobicContact CG1-SD 3.47Å; V101-M105 WeakPolarHBondContact CG1-SD 3.36Å; V101-M105 VanDerWaalsContact O-CB 3.24Å; V101-M105 WeakPolarHBondContact O-CB 3.31Å; V101-M105 VanDerWaalsContact O-CG 3.24Å; V101-M105 WeakPolarHBondContact O-CG 3.4Å; V101-M105 PolarHBondContact O-N 3.32Å; M105-A107 VanDerWaalsContact C-N 3.35Å; M105-L108 CarbonylContact O-C 3.53Å; M105-L108 PolarHBondContact O-N 3.44Å; M105-R109 PolarHBondContact O-N 3.1Å; M105-Y110 HydrophobicContact CB-CD2 3.69Å; M105-Y110 HydrophobicContact CB-CE2 4.18Å; M105-Y110 HydrophobicContact CB-CG 4.43Å; M105-Y110 HydrophobicContact CE-CD1 3.8Å; M105-Y110 HydrophobicContact CE-CD2 3.8Å; M105-Y110 HydrophobicContact CE-CE1 4.14Å; M105-Y110 HydrophobicContact CE-CE2 4.1Å; M105-Y110 HydrophobicContact CE-CG 3.63Å; M105-Y110 HydrophobicContact CG-CD2 3.9Å; M105-Y110 HydrophobicContact CG-CE2 3.93Å; M105-Y110 PolarHBondContact O-N 2.97Å; M105-M113 HydrophobicContact CE-CB 4.15Å; M105-M113 HydrophobicContact CE-CG 4.24Å; M105-M113 HydrophobicContact CE-SD 3.81Å; M105-M113 HydrophobicContact SD-SD 3.95Å; M105-F137 HydrophobicContact CB-CE1 3.53Å; M105-F137 HydrophobicContact CB-CZ 3.52Å; M105-F137 HydrophobicContact CE-CE2 3.89Å; M105-F137 HydrophobicContact CE-CZ 3.67Å; M105-F137 HydrophobicContact CG-CZ 4.31Å; M105-F137 HydrophobicContact SD-CE2 4.46Å; M105-F137 HydrophobicContact SD-CZ 3.84Å |
| 106 | N | 98.9 | Very high | 97.7 | Very high | 26 Ų | 26 | 22.9 Ų | 22.9 | 14% | 0.139 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 171.6 | -76.5 | -20.7 | 0 | 0 | 0 | 111.9 | A102 H103 F104 L108 R109 E134 K136 F137 | A102-N106 WeakPolarHBondContact O-CB 3.19Å; A102-N106 PolarHBondContact O-N 3.45Å; A102-N106 PolarHBondContact O-ND2 3.31Å; H103-N106 WeakPolarHBondContact O-CB 3.31Å; H103-N106 PolarHBondContact O-N 3.39Å; F104-N106 VanDerWaalsContact C-N 3.32Å; F104-N106 PolarHBondContact O-N 3.36Å; N106-L108 VanDerWaalsContact C-N 3.33Å; N106-L108 PolarHBondContact O-N 3.42Å; N106-R109 PolarHBondContact O-N 3.21Å; N106-E134 PolarHBondContact ND2-O 3.24Å; N106-K136 HydrophobicContact CB-CD 4.26Å; N106-K136 WeakPolarHBondContact OD1-CB 3.39Å; N106-K136 PolarHBondContact OD1-N 3.48Å; N106-F137 WeakPolarHBondContact OD1-CE1 3.37Å |
| 107 | A | 98.6 | Very high | 97.1 | Very high | 33 Ų | 33 | 21.4 Ų | 21.4 | 27% | 0.273 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -63 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | F65 H103 F104 M105 R109 I320 | F65-A107 WeakPolarHBondContact CE2-O 3.47Å; H103-A107 PolarHBondContact O-N 2.83Å; F104-A107 WeakPolarHBondContact O-CB 3.17Å; F104-A107 PolarHBondContact O-N 3.29Å; M105-A107 VanDerWaalsContact C-N 3.35Å; A107-R109 PolarHBondContact O-N 3.42Å; A107-I320 HydrophobicContact CB-CD1 3.96Å |
| 108 | L | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -74.2 | -12.2 | 174.3 | -88.9 | 71.5 | 0 | 0 | 0 | 113.1 | V61 L64 F65 R72 L80 F104 M105 N106 Y110 | V61-L108 HydrophobicContact CG2-CD1 3.28Å; V61-L108 HydrophobicContact CG2-CD2 3.82Å; V61-L108 HydrophobicContact CG2-CG 4.22Å; L64-L108 HydrophobicContact CB-CD2 4.25Å; L64-L108 HydrophobicContact CD2-CD2 3.4Å; L64-L108 HydrophobicContact CG-CD2 3.55Å; F65-L108 HydrophobicContact CB-CD1 4.11Å; F65-L108 HydrophobicContact CB-CG 4.27Å; F65-L108 HydrophobicContact CD2-CD1 3.88Å; F65-L108 HydrophobicContact CD2-CG 4.01Å; R72-L108 PolarHBondContact NH1-O 3Å; L80-L108 HydrophobicContact CD2-CB 4.31Å; F104-L108 WeakPolarHBondContact O-CD1 3.48Å; F104-L108 PolarHBondContact O-N 3.15Å; M105-L108 CarbonylContact O-C 3.53Å; M105-L108 PolarHBondContact O-N 3.44Å; N106-L108 VanDerWaalsContact C-N 3.33Å; N106-L108 PolarHBondContact O-N 3.42Å; L108-Y110 HydrophobicContact CB-CD2 3.97Å; L108-Y110 HydrophobicContact CB-CE2 3.87Å; L108-Y110 HydrophobicContact CD2-CE2 3.96Å |
| 109 | R | 98.8 | Very high | 97 | Very high | 140 Ų | 140 | 17.2 Ų | 17.2 | 53% | 0.528 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 56.2 | -177.3 | -56.3 | 179.6 | -73.3 | 171 | 1 | 110.9 | R72 M105 N106 A107 | R72-R109 PolarHBondContact NH2-O 2.59Å; M105-R109 PolarHBondContact O-N 3.1Å; N106-R109 PolarHBondContact O-N 3.21Å; A107-R109 PolarHBondContact O-N 3.42Å |
| 110 | Y | 98.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 16.3 Ų | 16.3 | 5% | 0.047 | 8% | 0.078 | C | C | . | . | trans | -54.9 | 146.7 | 168.6 | -84.2 | -98 | 0 | 0 | 0 | 110.3 | T34 L80 D82 M105 L108 F137 | T34-Y110 WeakPolarHBondContact OG1-CE1 3.48Å; T34-Y110 PolarHBondContact OG1-OH 3.09Å; L80-Y110 HydrophobicContact CD1-CD1 4.41Å; L80-Y110 HydrophobicContact CD1-CE1 3.91Å; L80-Y110 HydrophobicContact CD2-CD1 4.03Å; L80-Y110 HydrophobicContact CD2-CD2 3.92Å; L80-Y110 HydrophobicContact CD2-CE1 3.99Å; L80-Y110 HydrophobicContact CD2-CE2 3.92Å; L80-Y110 HydrophobicContact CD2-CG 3.98Å; L80-Y110 HydrophobicContact CG-CD1 3.62Å; L80-Y110 HydrophobicContact CG-CD2 4.43Å; L80-Y110 HydrophobicContact CG-CE1 3.6Å; L80-Y110 HydrophobicContact CG-CE2 4.46Å; L80-Y110 HydrophobicContact CG-CG 4.05Å; D82-Y110 HydrophobicContact CB-CD1 3.86Å; D82-Y110 HydrophobicContact CB-CE1 3.71Å; M105-Y110 HydrophobicContact CB-CD2 3.69Å; M105-Y110 HydrophobicContact CB-CE2 4.18Å; M105-Y110 HydrophobicContact CB-CG 4.43Å; M105-Y110 HydrophobicContact CE-CD1 3.8Å; M105-Y110 HydrophobicContact CE-CD2 3.8Å; M105-Y110 HydrophobicContact CE-CE1 4.14Å; M105-Y110 HydrophobicContact CE-CE2 4.1Å; M105-Y110 HydrophobicContact CE-CG 3.63Å; M105-Y110 HydrophobicContact CG-CD2 3.9Å; M105-Y110 HydrophobicContact CG-CE2 3.93Å; M105-Y110 PolarHBondContact O-N 2.97Å; L108-Y110 HydrophobicContact CB-CD2 3.97Å; L108-Y110 HydrophobicContact CB-CE2 3.87Å; L108-Y110 HydrophobicContact CD2-CE2 3.96Å; Y110-F137 WeakPolarHBondContact O-CB 3.49Å | ||
| 111 | D | 98.9 | Very high | 95.7 | Very high | 47 Ų | 47 | 17.6 Ų | 17.6 | 25% | 0.251 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -95.1 | -30.8 | -177.7 | -66.3 | -73.9 | 0 | 0 | 0 | 111.6 | R72 L79 L80 L81 P138 L164 | R72-D111 IonicContact NH2-OD2 2.69Å; R72-D111 PolarHBondContact NH2-OD2 3.25Å; L79-D111 HydrophobicContact CD2-CB 3.8Å; L80-D111 PolarHBondContact N-OD2 2.97Å; L80-D111 PolarHBondContact O-N 3.45Å; L81-D111 HydrophobicContact CD2-CB 4.36Å; D111-P138 WeakPolarHBondContact O-CD 3.46Å; D111-P138 VanDerWaalsContact O-CG 3.29Å; D111-P138 WeakPolarHBondContact O-CG 3.29Å; D111-L164 HydrophobicContact CB-CD1 4.11Å; D111-L164 WeakPolarHBondContact O-CD1 3.18Å |
| 112 | A | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 158.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L81 D82 P138 L140 I173 L218 | L81-A112 WeakPolarHBondContact CA-O 3.36Å; L81-A112 HydrophobicContact CD2-CB 4.03Å; D82-A112 PolarHBondContact N-O 3.06Å; A112-P138 WeakPolarHBondContact CA-O 3.49Å; A112-P138 HydrophobicContact CB-CG 3.86Å; A112-L140 HydrophobicContact CB-CD1 3.95Å; A112-I173 HydrophobicContact CB-CD1 4.08Å; A112-L218 HydrophobicContact CB-CD2 4.2Å |
| 113 | M | 98.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.3 | 171.5 | 175.2 | -178.7 | -178.7 | 0 | 0 | 109.5 | D82 Q86 M105 E119 L131 F137 P138 I139 L140 | D82-M113 HydrophobicContact CB-CB 4.18Å; D82-M113 HydrophobicContact CB-CG 4.04Å; D82-M113 CarbonylContact O-C 3.59Å; D82-M113 VanDerWaalsContact O-CA 3.29Å; D82-M113 WeakPolarHBondContact O-CA 3.16Å; Q86-M113 HydrophobicContact CB-CE 4.08Å; Q86-M113 HydrophobicContact CG-CE 3.89Å; M105-M113 HydrophobicContact CE-CB 4.15Å; M105-M113 HydrophobicContact CE-CG 4.24Å; M105-M113 HydrophobicContact CE-SD 3.81Å; M105-M113 HydrophobicContact SD-SD 3.95Å; M113-E119 HydrophobicContact CE-CG 3.91Å; M113-L131 HydrophobicContact CE-CD2 4.36Å; M113-L131 HydrophobicContact SD-CD2 4.32Å; M113-F137 HydrophobicContact CB-CD2 4.11Å; M113-F137 HydrophobicContact CB-CE2 3.69Å; M113-F137 HydrophobicContact SD-CE2 4.37Å; M113-P138 PolarHBondContact N-O 3.33Å; M113-I139 CarbonylContact O-C 3.39Å; M113-I139 VanDerWaalsContact O-CA 3.31Å; M113-I139 WeakPolarHBondContact O-CA 3.3Å; M113-L140 PolarHBondContact O-N 3.24Å |
| 114 | A | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 147.5 | 163 | 0 | 0 | 0 | 0 | 0 | 110.8 | D82 G84 G116 L140 L218 | D82-A114 PolarHBondContact O-N 3.39Å; G84-A114 WeakPolarHBondContact CA-O 3.41Å; G84-A114 PolarHBondContact N-O 2.94Å; A114-G116 PolarHBondContact O-N 3.21Å; A114-L140 VanDerWaalsContact CA-O 3.31Å; A114-L140 WeakPolarHBondContact CA-O 3.48Å; A114-L218 HydrophobicContact CB-CD2 4.37Å; A114-L218 HydrophobicContact CB-CG 3.91Å; A114-L218 WeakPolarHBondContact CB-O 3.42Å |
| 115 | L | 98.6 | Very high | 94 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | trans | -72.3 | 127.5 | 173.6 | -68.5 | 172.3 | 0 | 0 | 0 | 110.2 | E119 F120 L127 I139 L140 I144 Y158 T177 | L115-E119 HydrophobicContact CD2-CB 3.99Å; L115-E119 HydrophobicContact CD2-CG 4.04Å; L115-F120 HydrophobicContact CB-CE2 4.31Å; L115-F120 HydrophobicContact CD1-CZ 4.01Å; L115-L127 HydrophobicContact CD1-CD2 4.19Å; L115-L127 HydrophobicContact CD2-CD1 3.8Å; L115-L127 HydrophobicContact CD2-CD2 4.17Å; L115-I139 HydrophobicContact CD1-CG2 4.13Å; L115-I139 HydrophobicContact CD2-CG2 3.46Å; L115-I139 VanDerWaalsContact CD2-CG2 3.46Å; L115-I139 HydrophobicContact CG-CG2 3.55Å; L115-L140 PolarHBondContact N-O 3.39Å; L115-I144 HydrophobicContact CD1-CD1 4.24Å; L115-Y158 HydrophobicContact CD1-CG 4.43Å; L115-T177 WeakPolarHBondContact O-CB 3.23Å; L115-T177 WeakPolarHBondContact O-CG2 3.04Å; L115-T177 PolarHBondContact O-OG1 2.83Å | ||
| 116 | G | 92.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -89.5 | -179.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D85 A114 E119 F120 H220 | D85-G116 WeakPolarHBondContact OD1-CA 3.43Å; A114-G116 PolarHBondContact O-N 3.21Å; G116-E119 WeakPolarHBondContact CA-OE2 3.31Å; G116-E119 PolarHBondContact N-OE2 3.03Å; G116-F120 WeakPolarHBondContact O-CD2 3.05Å; G116-F120 WeakPolarHBondContact O-CE2 3.47Å; G116-H220 VanDerWaalsContact CA-CD2 3.49Å; G116-H220 WeakPolarHBondContact CA-CD2 3.43Å | ||
| 117 | N | 81 | Confident | 93.3 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.011 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -74.2 | -32.5 | 179.9 | 59.2 | -98.5 | 0 | 0 | 0 | 111.5 | D85 E119 F120 T181 L184 S185 H220 H243 | D85-N117 PolarHBondContact OD1-N 3.08Å; N117-E119 VanDerWaalsContact C-N 3.27Å; N117-E119 PolarHBondContact O-N 2.88Å; N117-F120 PolarHBondContact O-N 2.99Å; N117-T181 HydrophobicContact CB-CG2 3.9Å; N117-L184 HydrophobicContact CB-CB 4.42Å; N117-S185 WeakPolarHBondContact O-CB 3.47Å; N117-S185 PolarHBondContact O-OG 2.94Å; N117-S185 VanDerWaalsContact O-OG 3.07Å; N117-H220 PolarHBondContact OD1-NE2 2.94Å; N117-H243 PolarHBondContact OD1-CE1 2.86Å; N117-H243 PolarHBondContact OD1-ND1 3.12Å |
| 118 | H | 90.6 | Very high | 93.2 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 5% | 0.046 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -75.3 | -14.9 | -177.4 | -78.4 | -57 | 0 | 0 | 0 | 114.2 | H38 D85 Y87 Q88 F120 D121 R395 F417 | H38-H118 AromaticContact CE1-CD2 3.64Å; D85-H118 WeakPolarHBondContact OD1-CB 3.35Å; D85-H118 IonicContact OD1-CD2 2.75Å; D85-H118 PolarHBondContact OD1-N 2.72Å; D85-H118 IonicContact OD2-CD2 2.96Å; D85-H118 PolarHBondContact OD2-CD2 3.48Å; D85-H118 VanDerWaalsContact OD2-CD2 3.23Å; Y87-H118 VanDerWaalsContact CB-O 3.27Å; Y87-H118 WeakPolarHBondContact CB-O 3.34Å; Q88-H118 HydrophobicContact CB-CB 3.95Å; H118-F120 PolarHBondContact O-N 2.83Å; H118-F120 VanDerWaalsContact O-N 3.12Å; H118-D121 WeakPolarHBondContact CA-OD1 3.5Å; H118-D121 IonicContact CE1-OD1 3.49Å; H118-D121 IonicContact CE1-OD2 3.02Å; H118-D121 IonicContact CG-OD1 3.87Å; H118-D121 IonicContact CG-OD2 3.4Å; H118-D121 IonicContact ND1-OD1 2.99Å; H118-D121 PolarHBondContact ND1-OD1 2.89Å; H118-D121 IonicContact ND1-OD2 2.82Å; H118-D121 PolarHBondContact ND1-OD2 2.9Å; H118-D121 WeakPolarHBondContact O-CB 3.5Å; H118-D121 PolarHBondContact O-N 3.19Å; H118-D121 VanDerWaalsContact O-N 3.11Å; H118-R395 PolarHBondContact CE1-NH2 3.29Å; H118-R395 PolarHBondContact NE2-NH2 3.3Å; H118-F417 AromaticContact CE1-CE1 3.7Å |
| 119 | E | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -59.6 | -19.6 | 168.5 | -84.4 | 70.5 | -125.9 | 0 | 0 | 112.8 | D85 Q86 Y87 M113 L115 G116 N117 L127 L131 | D85-E119 WeakPolarHBondContact CA-OE1 3.35Å; D85-E119 PolarHBondContact N-OE1 3.13Å; D85-E119 PolarHBondContact N-OE2 3.33Å; Q86-E119 PolarHBondContact N-OE1 2.85Å; Y87-E119 WeakPolarHBondContact CB-OE1 3.19Å; Y87-E119 HydrophobicContact CD1-CG 4.32Å; Y87-E119 HydrophobicContact CD2-CB 4.47Å; Y87-E119 HydrophobicContact CD2-CG 4.47Å; Y87-E119 HydrophobicContact CG-CG 4.18Å; Y87-E119 PolarHBondContact N-OE1 2.82Å; M113-E119 HydrophobicContact CE-CG 3.91Å; L115-E119 HydrophobicContact CD2-CB 3.99Å; L115-E119 HydrophobicContact CD2-CG 4.04Å; G116-E119 WeakPolarHBondContact CA-OE2 3.31Å; G116-E119 PolarHBondContact N-OE2 3.03Å; N117-E119 VanDerWaalsContact C-N 3.27Å; N117-E119 PolarHBondContact O-N 2.88Å; E119-L127 HydrophobicContact CB-CD1 3.99Å; E119-L127 HydrophobicContact CG-CD1 4.42Å; E119-L131 HydrophobicContact CG-CD2 3.97Å |
| 120 | F | 89.9 | Confident | 92.9 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -96.6 | 5.5 | 178.2 | -60.7 | -85.2 | 0 | 0 | 0 | 114.5 | L115 G116 N117 H118 N122 G123 L127 I144 T177 T181 S185 N186 P187 L191 F193 | L115-F120 HydrophobicContact CB-CE2 4.31Å; L115-F120 HydrophobicContact CD1-CZ 4.01Å; G116-F120 WeakPolarHBondContact O-CD2 3.05Å; G116-F120 WeakPolarHBondContact O-CE2 3.47Å; N117-F120 PolarHBondContact O-N 2.99Å; H118-F120 PolarHBondContact O-N 2.83Å; H118-F120 VanDerWaalsContact O-N 3.12Å; F120-N122 VanDerWaalsContact C-N 3.32Å; F120-N122 PolarHBondContact O-N 3.44Å; F120-G123 PolarHBondContact O-N 3.31Å; F120-L127 HydrophobicContact CD1-CD2 3.86Å; F120-L127 HydrophobicContact CE1-CD2 3.36Å; F120-L127 HydrophobicContact CE2-CD2 4.45Å; F120-L127 HydrophobicContact CZ-CD2 3.7Å; F120-I144 HydrophobicContact CE2-CD1 4.14Å; F120-I144 HydrophobicContact CZ-CD1 3.66Å; F120-T177 HydrophobicContact CE2-CG2 4.45Å; F120-T181 HydrophobicContact CB-CG2 4.47Å; F120-T181 HydrophobicContact CD2-CG2 3.73Å; F120-T181 HydrophobicContact CE2-CG2 4.32Å; F120-T181 HydrophobicContact CG-CG2 4.25Å; F120-S185 PolarHBondContact O-OG 3.17Å; F120-N186 CarbonylContact O-C 3.59Å; F120-N186 PolarHBondContact O-N 3.04Å; F120-P187 HydrophobicContact CB-CB 4.21Å; F120-P187 HydrophobicContact CD1-CB 3.88Å; F120-P187 HydrophobicContact CG-CB 4.08Å; F120-L191 HydrophobicContact CD1-CD1 4.03Å; F120-L191 HydrophobicContact CE1-CD1 3.48Å; F120-L191 VanDerWaalsContact CE1-CD1 3.48Å; F120-L191 HydrophobicContact CZ-CD1 4.38Å; F120-F193 HydrophobicContact CD2-CZ 4.39Å; F120-F193 HydrophobicContact CE1-CZ 4.35Å; F120-F193 HydrophobicContact CE2-CE1 4.14Å; F120-F193 HydrophobicContact CE2-CZ 4.04Å; F120-F193 HydrophobicContact CZ-CE1 4.35Å; F120-F193 HydrophobicContact CZ-CZ 4.03Å |
| 121 | D | 80.4 | Confident | 92.8 | Very high | 28 Ų | 28 | 21.2 Ų | 21.2 | 15% | 0.15 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -38.4 | -173.2 | -84.8 | 12.2 | 0 | 0 | 0 | 112.7 | Q88 F93 H118 G123 S185 | Q88-D121 WeakPolarHBondContact CB-OD2 3.42Å; Q88-D121 VanDerWaalsContact CG-OD2 3.26Å; Q88-D121 WeakPolarHBondContact CG-OD2 3.45Å; Q88-D121 PolarHBondContact NE2-OD2 2.78Å; F93-D121 HydrophobicContact CE1-CB 4.37Å; F93-D121 HydrophobicContact CZ-CB 4.49Å; H118-D121 WeakPolarHBondContact CA-OD1 3.5Å; H118-D121 IonicContact CE1-OD1 3.49Å; H118-D121 IonicContact CE1-OD2 3.02Å; H118-D121 IonicContact CG-OD1 3.87Å; H118-D121 IonicContact CG-OD2 3.4Å; H118-D121 IonicContact ND1-OD1 2.99Å; H118-D121 PolarHBondContact ND1-OD1 2.89Å; H118-D121 IonicContact ND1-OD2 2.82Å; H118-D121 PolarHBondContact ND1-OD2 2.9Å; H118-D121 WeakPolarHBondContact O-CB 3.5Å; H118-D121 PolarHBondContact O-N 3.19Å; H118-D121 VanDerWaalsContact O-N 3.11Å; D121-G123 PolarHBondContact O-N 3.33Å; D121-S185 VanDerWaalsContact CA-OG 3.25Å; D121-S185 WeakPolarHBondContact CA-OG 3.29Å; D121-S185 PolarHBondContact N-OG 2.74Å; D121-S185 WeakPolarHBondContact OD1-CB 3.29Å; D121-S185 PolarHBondContact OD1-OG 2.86Å |
| 122 | N | 85.7 | Confident | 92.8 | Very high | 56 Ų | 56 | 19.6 Ų | 19.6 | 30% | 0.299 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 20.1 | 176 | -68.4 | -35.8 | 0 | 0 | 0 | 112.5 | F93 F120 G126 | F93-N122 WeakPolarHBondContact CZ-ND2 3.48Å; F120-N122 VanDerWaalsContact C-N 3.32Å; F120-N122 PolarHBondContact O-N 3.44Å; N122-G126 PolarHBondContact O-N 2.77Å |
| 123 | G | 86.9 | Confident | 92.7 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 7% | 0.072 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | 75.1 | 178.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F120 D121 E125 G126 L127 N186 | F120-G123 PolarHBondContact O-N 3.31Å; D121-G123 PolarHBondContact O-N 3.33Å; G123-E125 VanDerWaalsContact C-N 3.27Å; G123-E125 PolarHBondContact O-N 2.91Å; G123-G126 PolarHBondContact O-N 3.03Å; G123-L127 PolarHBondContact O-N 2.87Å; G123-N186 WeakPolarHBondContact CA-O 3.5Å |
| 124 | V | 92.2 | Very high | 92.7 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 6% | 0.055 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.2 | -30.8 | -180 | -175 | 0 | 0 | 0 | 0 | 111.3 | L127 I128 L150 I154 P187 L191 | V124-L127 WeakPolarHBondContact O-CB 3.47Å; V124-L127 PolarHBondContact O-N 3.3Å; V124-I128 HydrophobicContact CG1-CD1 4.02Å; V124-I128 HydrophobicContact CG1-CG1 4.34Å; V124-I128 WeakPolarHBondContact O-CG1 3.41Å; V124-I128 PolarHBondContact O-N 3.07Å; V124-L150 HydrophobicContact CG1-CD1 3.83Å; V124-L150 HydrophobicContact CG1-CD2 4.25Å; V124-L150 HydrophobicContact CG2-CD2 4.32Å; V124-I154 HydrophobicContact CG1-CD1 3.87Å; V124-P187 VanDerWaalsContact CG2-O 3.32Å; V124-P187 WeakPolarHBondContact CG2-O 3.41Å; V124-L191 HydrophobicContact CG2-CD1 3.6Å; V124-L191 HydrophobicContact CG2-CG 4.17Å |
| 125 | E | 93.4 | Very high | 92.6 | Very high | 132 Ų | 132 | 31.2 Ų | 31.2 | 62% | 0.617 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -62 | -46 | 174.3 | -64.5 | 77.4 | -168.6 | 0 | 0 | 111.5 | G123 L127 I128 E129 | G123-E125 VanDerWaalsContact C-N 3.27Å; G123-E125 PolarHBondContact O-N 2.91Å; E125-L127 PolarHBondContact O-N 2.79Å; E125-I128 PolarHBondContact O-N 3.4Å; E125-E129 PolarHBondContact O-N 2.8Å |
| 126 | G | 89.9 | Confident | 92.7 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 13% | 0.134 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.1 | -14.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y87 N122 G123 E129 | Y87-G126 PolarHBondContact OH-O 2.84Å; Y87-G126 VanDerWaalsContact OH-O 3.11Å; N122-G126 PolarHBondContact O-N 2.77Å; G123-G126 PolarHBondContact O-N 3.03Å; G126-E129 CarbonylContact C-O 3.54Å; G126-E129 WeakPolarHBondContact CA-O 3.37Å |
| 127 | L | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -80.7 | -49 | 167.5 | 176.5 | 53.8 | 0 | 0 | 0 | 110.9 | L115 E119 F120 G123 V124 E125 E129 L131 L132 | L115-L127 HydrophobicContact CD1-CD2 4.19Å; L115-L127 HydrophobicContact CD2-CD1 3.8Å; L115-L127 HydrophobicContact CD2-CD2 4.17Å; E119-L127 HydrophobicContact CB-CD1 3.99Å; E119-L127 HydrophobicContact CG-CD1 4.42Å; F120-L127 HydrophobicContact CD1-CD2 3.86Å; F120-L127 HydrophobicContact CE1-CD2 3.36Å; F120-L127 HydrophobicContact CE2-CD2 4.45Å; F120-L127 HydrophobicContact CZ-CD2 3.7Å; G123-L127 PolarHBondContact O-N 2.87Å; V124-L127 WeakPolarHBondContact O-CB 3.47Å; V124-L127 PolarHBondContact O-N 3.3Å; E125-L127 PolarHBondContact O-N 2.79Å; L127-E129 PolarHBondContact O-N 2.8Å; L127-L131 HydrophobicContact CD1-CB 4.49Å; L127-L131 HydrophobicContact CD1-CD2 3.94Å; L127-L131 PolarHBondContact O-N 3.36Å; L127-L132 HydrophobicContact CD1-CD2 3.97Å; L127-L132 HydrophobicContact CD1-CG 4.06Å; L127-L132 HydrophobicContact CD2-CD1 4.42Å; L127-L132 HydrophobicContact CG-CD1 3.98Å; L127-L132 HydrophobicContact CG-CD2 4.2Å; L127-L132 HydrophobicContact CG-CG 3.91Å; L127-L132 WeakPolarHBondContact O-CG 3.28Å; L127-L132 PolarHBondContact O-N 2.77Å; L127-L132 VanDerWaalsContact O-N 3.09Å |
| 128 | I | 96.6 | Very high | 93.8 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -59.5 | -49.6 | 179.8 | -71 | 169.3 | 0 | 0 | 0 | 110.5 | V124 E125 L132 K133 Q153 I154 L157 | V124-I128 HydrophobicContact CG1-CD1 4.02Å; V124-I128 HydrophobicContact CG1-CG1 4.34Å; V124-I128 WeakPolarHBondContact O-CG1 3.41Å; V124-I128 PolarHBondContact O-N 3.07Å; E125-I128 PolarHBondContact O-N 3.4Å; I128-L132 HydrophobicContact CG1-CD1 4.07Å; I128-L132 PolarHBondContact O-N 2.88Å; I128-K133 HydrophobicContact CG2-CD 4.42Å; I128-K133 HydrophobicContact CG2-CG 4.33Å; I128-K133 WeakPolarHBondContact O-CG 3.26Å; I128-K133 PolarHBondContact O-N 3.03Å; I128-Q153 HydrophobicContact CD1-CG 4.08Å; I128-I154 HydrophobicContact CD1-CG1 4.44Å; I128-I154 HydrophobicContact CG1-CD1 4.41Å; I128-I154 HydrophobicContact CG1-CG1 4.35Å; I128-L157 HydrophobicContact CG1-CD1 4.16Å; I128-L157 HydrophobicContact CG2-CD1 4.02Å |
| 129 | E | 95.8 | Very high | 94.2 | Very high | 117 Ų | 117 | 41.4 Ų | 41.4 | 55% | 0.547 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -117.8 | 117.2 | 174.3 | -80 | -177.8 | -164.5 | 0 | 0 | 109.8 | E125 G126 L127 K133 | E125-E129 PolarHBondContact O-N 2.8Å; G126-E129 CarbonylContact C-O 3.54Å; G126-E129 WeakPolarHBondContact CA-O 3.37Å; L127-E129 PolarHBondContact O-N 2.8Å; E129-K133 HydrophobicContact CG-CD 3.7Å; E129-K133 HydrophobicContact CG-CG 4.43Å; E129-K133 WeakPolarHBondContact OE1-CE 3.39Å; E129-K133 IonicContact OE1-NZ 2.69Å; E129-K133 PolarHBondContact OE1-NZ 2.92Å |
| 130 | P | 95.1 | Very high | 94.4 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | I | π-helix | cis | -95.7 | -27.2 | 12.8 | 31.9 | -30.8 | 0 | 0 | 0 | 115.6 | K97 A99 L132 K133 E134 | K97-P130 WeakPolarHBondContact O-CD 3.31Å; A99-P130 VanDerWaalsContact CA-CG 3.49Å; A99-P130 HydrophobicContact CB-CB 4.23Å; A99-P130 HydrophobicContact CB-CG 3.9Å; P130-L132 PolarHBondContact O-N 3.37Å; P130-K133 PolarHBondContact O-N 2.78Å; P130-E134 HydrophobicContact CB-CG 4.33Å; P130-E134 WeakPolarHBondContact CB-OE1 3.38Å; P130-E134 WeakPolarHBondContact O-CB 3.45Å; P130-E134 WeakPolarHBondContact O-CG 3.33Å; P130-E134 PolarHBondContact O-N 2.75Å |
| 131 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -59.8 | -54.1 | -159 | 178.2 | 64.8 | 0 | 0 | 0 | 114.4 | Y87 V101 A102 M113 E119 L127 K133 E134 A135 I139 | Y87-L131 HydrophobicContact CD1-CD2 4.49Å; Y87-L131 HydrophobicContact CE1-CB 4.05Å; Y87-L131 HydrophobicContact CE1-CD2 3.82Å; Y87-L131 HydrophobicContact CE1-CG 4.4Å; Y87-L131 WeakPolarHBondContact OH-CB 3.44Å; V101-L131 HydrophobicContact CG1-CD1 4.12Å; A102-L131 HydrophobicContact CB-CD1 4.32Å; M113-L131 HydrophobicContact CE-CD2 4.36Å; M113-L131 HydrophobicContact SD-CD2 4.32Å; E119-L131 HydrophobicContact CG-CD2 3.97Å; L127-L131 HydrophobicContact CD1-CB 4.49Å; L127-L131 HydrophobicContact CD1-CD2 3.94Å; L127-L131 PolarHBondContact O-N 3.36Å; L131-K133 PolarHBondContact O-N 3.08Å; L131-E134 PolarHBondContact O-N 3.24Å; L131-A135 HydrophobicContact CD1-CB 4.39Å; L131-A135 VanDerWaalsContact O-CB 3.27Å; L131-A135 WeakPolarHBondContact O-CB 3.31Å; L131-A135 PolarHBondContact O-N 2.96Å; L131-I139 HydrophobicContact CD1-CD1 4.11Å; L131-I139 HydrophobicContact CD2-CD1 4.22Å; L131-I139 HydrophobicContact CG-CD1 3.7Å |
| 132 | L | 97.7 | Very high | 95.7 | Very high | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.073 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -66.7 | -24.9 | -175.2 | -57 | -173.6 | 0 | 0 | 0 | 113.5 | L127 I128 P130 I139 I154 L157 | L127-L132 HydrophobicContact CD1-CD2 3.97Å; L127-L132 HydrophobicContact CD1-CG 4.06Å; L127-L132 HydrophobicContact CD2-CD1 4.42Å; L127-L132 HydrophobicContact CG-CD1 3.98Å; L127-L132 HydrophobicContact CG-CD2 4.2Å; L127-L132 HydrophobicContact CG-CG 3.91Å; L127-L132 WeakPolarHBondContact O-CG 3.28Å; L127-L132 PolarHBondContact O-N 2.77Å; L127-L132 VanDerWaalsContact O-N 3.09Å; I128-L132 HydrophobicContact CG1-CD1 4.07Å; I128-L132 PolarHBondContact O-N 2.88Å; P130-L132 PolarHBondContact O-N 3.37Å; L132-I139 HydrophobicContact CD2-CB 4.07Å; L132-I139 HydrophobicContact CD2-CD1 3.49Å; L132-I139 VanDerWaalsContact CD2-CD1 3.49Å; L132-I139 HydrophobicContact CD2-CG1 4.37Å; L132-I139 HydrophobicContact CD2-CG2 3.73Å; L132-I154 HydrophobicContact CD1-CD1 4.01Å; L132-I154 HydrophobicContact CD1-CG1 3.97Å; L132-L157 HydrophobicContact CB-CB 4.06Å; L132-L157 HydrophobicContact CB-CD1 4.47Å; L132-L157 HydrophobicContact CD1-CB 3.81Å; L132-L157 HydrophobicContact CD1-CD1 4.39Å |
| 133 | K | 97.3 | Very high | 96.3 | Very high | 123 Ų | 123 | 37.4 Ų | 37.4 | 54% | 0.535 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -88.5 | -29 | 178.5 | -73.9 | -168.9 | -175 | 176.4 | 0 | 113.6 | I128 E129 P130 L131 | I128-K133 HydrophobicContact CG2-CD 4.42Å; I128-K133 HydrophobicContact CG2-CG 4.33Å; I128-K133 WeakPolarHBondContact O-CG 3.26Å; I128-K133 PolarHBondContact O-N 3.03Å; E129-K133 HydrophobicContact CG-CD 3.7Å; E129-K133 HydrophobicContact CG-CG 4.43Å; E129-K133 WeakPolarHBondContact OE1-CE 3.39Å; E129-K133 IonicContact OE1-NZ 2.69Å; E129-K133 PolarHBondContact OE1-NZ 2.92Å; P130-K133 PolarHBondContact O-N 2.78Å; L131-K133 PolarHBondContact O-N 3.08Å |
| 134 | E | 98.3 | Very high | 96.8 | Very high | 99 Ų | 99 | 37.2 Ų | 37.2 | 46% | 0.463 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -101.1 | -20.6 | -173 | -66.2 | -173.4 | -158.1 | 0 | 0 | 114.1 | A102 N106 P130 L131 K136 | A102-E134 HydrophobicContact CB-CB 3.8Å; N106-E134 PolarHBondContact ND2-O 3.24Å; P130-E134 HydrophobicContact CB-CG 4.33Å; P130-E134 WeakPolarHBondContact CB-OE1 3.38Å; P130-E134 WeakPolarHBondContact O-CB 3.45Å; P130-E134 WeakPolarHBondContact O-CG 3.33Å; P130-E134 PolarHBondContact O-N 2.75Å; L131-E134 PolarHBondContact O-N 3.24Å; E134-K136 PolarHBondContact O-N 3.03Å |
| 135 | A | 98.3 | Very high | 97 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 17% | 0.174 | 19% | 0.194 | C | C | . | . | trans | -62.2 | 133.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L131 F137 I139 | L131-A135 HydrophobicContact CD1-CB 4.39Å; L131-A135 VanDerWaalsContact O-CB 3.27Å; L131-A135 WeakPolarHBondContact O-CB 3.31Å; L131-A135 PolarHBondContact O-N 2.96Å; A135-F137 VanDerWaalsContact C-N 3.31Å; A135-F137 HydrophobicContact CB-CD2 4.4Å; A135-F137 HydrophobicContact CB-CE1 4.22Å; A135-F137 HydrophobicContact CB-CE2 4.06Å; A135-F137 HydrophobicContact CB-CZ 3.96Å; A135-I139 HydrophobicContact CB-CD1 3.8Å; A135-I139 HydrophobicContact CB-CG1 4.37Å | ||
| 136 | K | 98.7 | Very high | 97.1 | Very high | 183 Ų | 183 | 35.4 Ų | 35.4 | 80% | 0.796 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -95.4 | 13.2 | 178 | -64.1 | 176.4 | -176.4 | 176 | 0 | 112.7 | N106 E134 | N106-K136 HydrophobicContact CB-CD 4.26Å; N106-K136 WeakPolarHBondContact OD1-CB 3.39Å; N106-K136 PolarHBondContact OD1-N 3.48Å; E134-K136 PolarHBondContact O-N 3.03Å |
| 137 | F | 98.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -134.6 | 154 | -178.6 | 50.3 | -95.2 | 0 | 0 | 0 | 109.5 | M105 N106 Y110 M113 A135 I139 | M105-F137 HydrophobicContact CB-CE1 3.53Å; M105-F137 HydrophobicContact CB-CZ 3.52Å; M105-F137 HydrophobicContact CE-CE2 3.89Å; M105-F137 HydrophobicContact CE-CZ 3.67Å; M105-F137 HydrophobicContact CG-CZ 4.31Å; M105-F137 HydrophobicContact SD-CE2 4.46Å; M105-F137 HydrophobicContact SD-CZ 3.84Å; N106-F137 WeakPolarHBondContact OD1-CE1 3.37Å; Y110-F137 WeakPolarHBondContact O-CB 3.49Å; M113-F137 HydrophobicContact CB-CD2 4.11Å; M113-F137 HydrophobicContact CB-CE2 3.69Å; M113-F137 HydrophobicContact SD-CE2 4.37Å; A135-F137 VanDerWaalsContact C-N 3.31Å; A135-F137 HydrophobicContact CB-CD2 4.4Å; A135-F137 HydrophobicContact CB-CE1 4.22Å; A135-F137 HydrophobicContact CB-CE2 4.06Å; A135-F137 HydrophobicContact CB-CZ 3.96Å; F137-I139 HydrophobicContact CE2-CG1 4.35Å; F137-I139 PolarHBondContact O-N 3.1Å |
| 138 | P | 98.8 | Very high | 97.2 | Very high | 23 Ų | 23 | 43 Ų | 43 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | trans | -62.9 | 134.2 | 178.5 | 29.2 | -39.5 | 0 | 0 | 0 | 111.7 | D111 A112 M113 L140 K162 | D111-P138 WeakPolarHBondContact O-CD 3.46Å; D111-P138 VanDerWaalsContact O-CG 3.29Å; D111-P138 WeakPolarHBondContact O-CG 3.29Å; A112-P138 WeakPolarHBondContact CA-O 3.49Å; A112-P138 HydrophobicContact CB-CG 3.86Å; M113-P138 PolarHBondContact N-O 3.33Å; P138-L140 HydrophobicContact CB-CD2 4.03Å; P138-K162 HydrophobicContact CB-CB 4.01Å; P138-K162 HydrophobicContact CB-CD 4.22Å; P138-K162 HydrophobicContact CB-CG 4Å; P138-K162 HydrophobicContact CG-CB 4.08Å; P138-K162 HydrophobicContact CG-CG 3.94Å | ||
| 139 | I | 98.9 | Very high | 97 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.1 | 169.6 | -65.8 | 174.7 | 0 | 0 | 0 | 108.4 | M113 L115 L131 L132 A135 F137 Y158 L159 | M113-I139 CarbonylContact O-C 3.39Å; M113-I139 VanDerWaalsContact O-CA 3.31Å; M113-I139 WeakPolarHBondContact O-CA 3.3Å; L115-I139 HydrophobicContact CD1-CG2 4.13Å; L115-I139 HydrophobicContact CD2-CG2 3.46Å; L115-I139 VanDerWaalsContact CD2-CG2 3.46Å; L115-I139 HydrophobicContact CG-CG2 3.55Å; L131-I139 HydrophobicContact CD1-CD1 4.11Å; L131-I139 HydrophobicContact CD2-CD1 4.22Å; L131-I139 HydrophobicContact CG-CD1 3.7Å; L132-I139 HydrophobicContact CD2-CB 4.07Å; L132-I139 HydrophobicContact CD2-CD1 3.49Å; L132-I139 VanDerWaalsContact CD2-CD1 3.49Å; L132-I139 HydrophobicContact CD2-CG1 4.37Å; L132-I139 HydrophobicContact CD2-CG2 3.73Å; A135-I139 HydrophobicContact CB-CD1 3.8Å; A135-I139 HydrophobicContact CB-CG1 4.37Å; F137-I139 HydrophobicContact CE2-CG1 4.35Å; F137-I139 PolarHBondContact O-N 3.1Å; I139-Y158 CarbonylContact O-C 3.47Å; I139-Y158 VanDerWaalsContact O-CA 3.25Å; I139-Y158 WeakPolarHBondContact O-CA 3.18Å; I139-Y158 WeakPolarHBondContact O-CB 3.5Å; I139-L159 PolarHBondContact O-N 2.69Å |
| 140 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.4 | -162.8 | -54.8 | -179.7 | 0 | 0 | 0 | 113 | A112 M113 A114 L115 P138 L159 K162 I173 | A112-L140 HydrophobicContact CB-CD1 3.95Å; M113-L140 PolarHBondContact O-N 3.24Å; A114-L140 VanDerWaalsContact CA-O 3.31Å; A114-L140 WeakPolarHBondContact CA-O 3.48Å; L115-L140 PolarHBondContact N-O 3.39Å; P138-L140 HydrophobicContact CB-CD2 4.03Å; L140-L159 CarbonylContact C-O 3.55Å; L140-L159 WeakPolarHBondContact CA-O 3.36Å; L140-L159 HydrophobicContact CD2-CB 3.99Å; L140-K162 HydrophobicContact CD2-CB 4.08Å; L140-I173 HydrophobicContact CD1-CB 3.95Å; L140-I173 HydrophobicContact CD1-CG2 3.53Å |
| 141 | S | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | trans | -167.1 | 118 | 162.4 | -168.2 | 0 | 0 | 0 | 0 | 110 | N143 I144 Y158 L159 T177 | S141-N143 PolarHBondContact OG-OD1 2.58Å; S141-I144 WeakPolarHBondContact OG-CD1 3.26Å; S141-I144 VanDerWaalsContact OG-CG1 3.3Å; S141-I144 WeakPolarHBondContact OG-CG1 3.26Å; S141-Y158 WeakPolarHBondContact O-CE2 3.01Å; S141-L159 PolarHBondContact N-O 3.38Å; S141-T177 WeakPolarHBondContact CB-OG1 3.21Å; S141-T177 PolarHBondContact OG-OG1 3.03Å | ||
| 142 | A | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -84.5 | -31 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K145 P160 V174 G175 L200 E203 | A142-K145 PolarHBondContact O-NZ 3.45Å; A142-P160 HydrophobicContact CB-CB 3.86Å; A142-V174 HydrophobicContact CB-CG2 4.13Å; A142-G175 WeakPolarHBondContact CB-O 3.27Å; A142-G175 PolarHBondContact N-O 3.2Å; A142-L200 HydrophobicContact CB-CD2 4.27Å; A142-E203 HydrophobicContact CB-CG 4.14Å |
| 143 | N | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -92.3 | 3.3 | -173.2 | 75.3 | -51.5 | 0 | 0 | 0 | 113.9 | S141 Y176 T177 E194 A199 | S141-N143 PolarHBondContact OG-OD1 2.58Å; N143-Y176 WeakPolarHBondContact OD1-CA 3.48Å; N143-T177 PolarHBondContact ND2-O 2.93Å; N143-T177 PolarHBondContact OD1-N 3.03Å; N143-T177 PolarHBondContact OD1-O 2.63Å; N143-E194 HydrophobicContact CB-CB 4.3Å; N143-E194 PolarHBondContact ND2-O 3.01Å; N143-E194 PolarHBondContact O-N 2.86Å; N143-A199 HydrophobicContact CB-CB 3.39Å |
| 144 | I | 97.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.9 | 169.9 | -60.7 | 175.2 | 0 | 0 | 0 | 109 | L115 F120 S141 Y158 T177 L191 V192 F193 | L115-I144 HydrophobicContact CD1-CD1 4.24Å; F120-I144 HydrophobicContact CE2-CD1 4.14Å; F120-I144 HydrophobicContact CZ-CD1 3.66Å; S141-I144 WeakPolarHBondContact OG-CD1 3.26Å; S141-I144 VanDerWaalsContact OG-CG1 3.3Å; S141-I144 WeakPolarHBondContact OG-CG1 3.26Å; I144-Y158 HydrophobicContact CB-CE2 4.16Å; I144-Y158 HydrophobicContact CG2-CE2 4.48Å; I144-Y158 PolarHBondContact O-OH 3.33Å; I144-Y158 VanDerWaalsContact O-OH 3.06Å; I144-T177 HydrophobicContact CD1-CG2 4.29Å; I144-L191 HydrophobicContact CG2-CB 4.41Å; I144-L191 HydrophobicContact CG2-CD1 4.38Å; I144-L191 HydrophobicContact CG2-CD2 4.07Å; I144-V192 CarbonylContact C-O 3.52Å; I144-V192 WeakPolarHBondContact CA-O 3.24Å; I144-F193 HydrophobicContact CD1-CD1 4.11Å; I144-F193 HydrophobicContact CD1-CE1 3.48Å; I144-F193 VanDerWaalsContact CD1-CE1 3.48Å; I144-F193 HydrophobicContact CD1-CZ 4.02Å; I144-F193 HydrophobicContact CG1-CD1 3.72Å; I144-F193 HydrophobicContact CG1-CE1 3.6Å; I144-F193 HydrophobicContact CG1-CG 4.44Å; I144-F193 HydrophobicContact CG1-CZ 4.22Å |
| 145 | K | 96 | Very high | 95.7 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 34% | 0.335 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121.7 | 172.4 | -56.9 | -57.1 | -178.6 | -150.7 | 0 | 110.1 | A142 V192 E194 | A142-K145 PolarHBondContact O-NZ 3.45Å; K145-V192 PolarHBondContact N-O 3.13Å; K145-V192 PolarHBondContact O-N 2.83Å; K145-E194 WeakPolarHBondContact CE-OE2 3.36Å; K145-E194 HydrophobicContact CG-CG 4.2Å; K145-E194 WeakPolarHBondContact CG-OE1 3.46Å |
| 146 | A | 95.1 | Very high | 95.4 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 141.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A151 I154 L191 | A146-A151 HydrophobicContact CB-CB 4.14Å; A146-I154 HydrophobicContact CB-CG2 3.67Å; A146-L191 HydrophobicContact CB-CD2 3.75Å |
| 147 | K | 91.4 | Very high | 95.4 | Very high | 119 Ų | 119 | 42.7 Ų | 42.7 | 52% | 0.517 | 27% | 0.271 | S | S | . | . | trans | -119.1 | 159.8 | 179.1 | -67.7 | -179.7 | 173.5 | 175.1 | 0 | 111.5 | N190 V192 | K147-N190 PolarHBondContact N-O 2.83Å; K147-V192 HydrophobicContact CD-CG2 3.84Å; K147-V192 HydrophobicContact CG-CG2 4.49Å; K147-V192 VanDerWaalsContact NZ-CG2 3.31Å | ||
| 148 | G | 93.9 | Very high | 95.3 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 56% | 0.557 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | -151.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L150 A151 | G148-L150 PolarHBondContact O-N 3.46Å; G148-A151 WeakPolarHBondContact O-CB 3.14Å; G148-A151 PolarHBondContact O-N 2.72Å; G148-A151 VanDerWaalsContact O-N 3.11Å |
| 149 | P | 92.1 | Very high | 95.3 | Very high | 107 Ų | 107 | 44.8 Ų | 44.8 | 70% | 0.695 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.2 | -27.3 | 179.7 | -25 | 35 | 0 | 0 | 0 | 114.2 | A151 S152 Q153 | P149-A151 PolarHBondContact O-N 2.9Å; P149-S152 PolarHBondContact O-N 2.7Å; P149-S152 PolarHBondContact O-OG 3.08Å; P149-Q153 PolarHBondContact O-N 3.08Å |
| 150 | L | 90.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -31.5 | 178.1 | -177.5 | 62.6 | 0 | 0 | 0 | 111.9 | V124 G148 S152 Q153 I154 N190 L191 | V124-L150 HydrophobicContact CG1-CD1 3.83Å; V124-L150 HydrophobicContact CG1-CD2 4.25Å; V124-L150 HydrophobicContact CG2-CD2 4.32Å; G148-L150 PolarHBondContact O-N 3.46Å; L150-S152 VanDerWaalsContact C-N 3.33Å; L150-S152 PolarHBondContact O-N 3.41Å; L150-Q153 HydrophobicContact CD1-CB 4.44Å; L150-Q153 PolarHBondContact O-N 3.39Å; L150-Q153 VanDerWaalsContact O-N 3.08Å; L150-I154 WeakPolarHBondContact O-CG2 3.14Å; L150-I154 PolarHBondContact O-N 2.9Å; L150-N190 HydrophobicContact CB-CB 4.14Å; L150-N190 HydrophobicContact CD2-CB 3.67Å; L150-L191 HydrophobicContact CD2-CD2 3.64Å; L150-L191 HydrophobicContact CD2-CG 3.93Å |
| 151 | A | 92.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.3 | -45.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A146 G148 P149 S155 | A146-A151 HydrophobicContact CB-CB 4.14Å; G148-A151 WeakPolarHBondContact O-CB 3.14Å; G148-A151 PolarHBondContact O-N 2.72Å; G148-A151 VanDerWaalsContact O-N 3.11Å; P149-A151 PolarHBondContact O-N 2.9Å; A151-S155 VanDerWaalsContact O-CB 3.27Å; A151-S155 WeakPolarHBondContact O-CB 3.36Å; A151-S155 PolarHBondContact O-N 3.29Å; A151-S155 VanDerWaalsContact O-N 3.16Å |
| 152 | S | 92.6 | Very high | 95.3 | Very high | 98 Ų | 98 | 52.2 Ų | 52.2 | 69% | 0.685 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.2 | -34.1 | 175.3 | 39.2 | 0 | 0 | 0 | 0 | 113.2 | P149 L150 | P149-S152 PolarHBondContact O-N 2.7Å; P149-S152 PolarHBondContact O-OG 3.08Å; L150-S152 VanDerWaalsContact C-N 3.33Å; L150-S152 PolarHBondContact O-N 3.41Å |
| 153 | Q | 93.2 | Very high | 95.3 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.9 | -38.5 | -176.8 | -176.7 | -176.5 | -1.6 | 0 | 0 | 112.5 | I128 P149 L150 | I128-Q153 HydrophobicContact CD1-CG 4.08Å; P149-Q153 PolarHBondContact O-N 3.08Å; L150-Q153 HydrophobicContact CD1-CB 4.44Å; L150-Q153 PolarHBondContact O-N 3.39Å; L150-Q153 VanDerWaalsContact O-N 3.08Å |
| 154 | I | 93 | Very high | 95.4 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.015 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -98.6 | -5.2 | -176 | -153.5 | 169.6 | 0 | 0 | 0 | 113.4 | V124 I128 L132 A146 L150 G156 L157 Y158 | V124-I154 HydrophobicContact CG1-CD1 3.87Å; I128-I154 HydrophobicContact CD1-CG1 4.44Å; I128-I154 HydrophobicContact CG1-CD1 4.41Å; I128-I154 HydrophobicContact CG1-CG1 4.35Å; L132-I154 HydrophobicContact CD1-CD1 4.01Å; L132-I154 HydrophobicContact CD1-CG1 3.97Å; A146-I154 HydrophobicContact CB-CG2 3.67Å; L150-I154 WeakPolarHBondContact O-CG2 3.14Å; L150-I154 PolarHBondContact O-N 2.9Å; I154-G156 PolarHBondContact O-N 3.13Å; I154-L157 HydrophobicContact CG1-CB 4.29Å; I154-L157 HydrophobicContact CG1-CD1 4.42Å; I154-L157 WeakPolarHBondContact O-CB 3.44Å; I154-L157 PolarHBondContact O-N 3.43Å; I154-L157 VanDerWaalsContact O-N 3.08Å; I154-Y158 HydrophobicContact CB-CE1 4.46Å; I154-Y158 HydrophobicContact CD1-CD1 3.94Å; I154-Y158 HydrophobicContact CD1-CE1 3.78Å; I154-Y158 HydrophobicContact CG1-CD1 3.84Å; I154-Y158 HydrophobicContact CG1-CE1 3.82Å; I154-Y158 HydrophobicContact CG2-CE1 3.89Å |
| 155 | S | 92.6 | Very high | 95.4 | Very high | 93 Ų | 93 | 60.5 Ų | 60.5 | 65% | 0.65 | 37% | 0.366 | S | S | * | . | B | Isolated β-bridge | trans | -56.8 | 121.9 | -179.4 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | A151 L157 | A151-S155 VanDerWaalsContact O-CB 3.27Å; A151-S155 WeakPolarHBondContact O-CB 3.36Å; A151-S155 PolarHBondContact O-N 3.29Å; A151-S155 VanDerWaalsContact O-N 3.16Å; S155-L157 VanDerWaalsContact C-N 3.26Å; S155-L157 PolarHBondContact O-N 3.43Å |
| 156 | G | 93.8 | Very high | 95.5 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 58% | 0.577 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -5.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | I154 | I154-G156 PolarHBondContact O-N 3.13Š|
| 157 | L | 97.1 | Very high | 95.5 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 29% | 0.288 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -31.1 | 175.1 | -62.7 | -171.8 | 0 | 0 | 0 | 112.4 | I128 L132 I154 S155 | I128-L157 HydrophobicContact CG1-CD1 4.16Å; I128-L157 HydrophobicContact CG2-CD1 4.02Å; L132-L157 HydrophobicContact CB-CB 4.06Å; L132-L157 HydrophobicContact CB-CD1 4.47Å; L132-L157 HydrophobicContact CD1-CB 3.81Å; L132-L157 HydrophobicContact CD1-CD1 4.39Å; I154-L157 HydrophobicContact CG1-CB 4.29Å; I154-L157 HydrophobicContact CG1-CD1 4.42Å; I154-L157 WeakPolarHBondContact O-CB 3.44Å; I154-L157 PolarHBondContact O-N 3.43Å; I154-L157 VanDerWaalsContact O-N 3.08Å; S155-L157 VanDerWaalsContact C-N 3.26Å; S155-L157 PolarHBondContact O-N 3.43Å |
| 158 | Y | 98.3 | Very high | 95.6 | Very high | 29 Ų | 29 | 61.2 Ų | 61.2 | 11% | 0.114 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -125.7 | 159.5 | 162.1 | 74.2 | -82.8 | 0 | 0 | 0 | 109.3 | L115 I139 S141 I144 I154 | L115-Y158 HydrophobicContact CD1-CG 4.43Å; I139-Y158 CarbonylContact O-C 3.47Å; I139-Y158 VanDerWaalsContact O-CA 3.25Å; I139-Y158 WeakPolarHBondContact O-CA 3.18Å; I139-Y158 WeakPolarHBondContact O-CB 3.5Å; S141-Y158 WeakPolarHBondContact O-CE2 3.01Å; I144-Y158 HydrophobicContact CB-CE2 4.16Å; I144-Y158 HydrophobicContact CG2-CE2 4.48Å; I144-Y158 PolarHBondContact O-OH 3.33Å; I144-Y158 VanDerWaalsContact O-OH 3.06Å; I154-Y158 HydrophobicContact CB-CE1 4.46Å; I154-Y158 HydrophobicContact CD1-CD1 3.94Å; I154-Y158 HydrophobicContact CD1-CE1 3.78Å; I154-Y158 HydrophobicContact CG1-CD1 3.84Å; I154-Y158 HydrophobicContact CG1-CE1 3.82Å; I154-Y158 HydrophobicContact CG2-CE1 3.89Å |
| 159 | L | 98.7 | Very high | 95.8 | Very high | 54 Ų | 54 | 62 Ų | 62 | 28% | 0.283 | 38% | 0.379 | S | S | . | . | B | Isolated β-bridge | trans | -126.7 | 150.9 | -175 | -59.3 | 171.7 | 0 | 0 | 0 | 110.9 | I139 L140 S141 Y161 K162 | I139-L159 PolarHBondContact O-N 2.69Å; L140-L159 CarbonylContact C-O 3.55Å; L140-L159 WeakPolarHBondContact CA-O 3.36Å; L140-L159 HydrophobicContact CD2-CB 3.99Å; S141-L159 PolarHBondContact N-O 3.38Å; L159-Y161 VanDerWaalsContact C-N 3.29Å; L159-Y161 WeakPolarHBondContact CB-O 3.37Å; L159-Y161 PolarHBondContact O-N 3.3Å; L159-K162 HydrophobicContact CD1-CD 3.92Å |
| 160 | P | 98.7 | Very high | 96.1 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 25% | 0.247 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -65.1 | -37.2 | 171.4 | 25.8 | -33.3 | 0 | 0 | 0 | 111.8 | A142 G175 E203 | A142-P160 HydrophobicContact CB-CB 3.86Å; P160-G175 PolarHBondContact O-N 2.89Å; P160-E203 HydrophobicContact CB-CG 4.05Å |
| 161 | Y | 98.9 | Very high | 96.5 | Very high | 38 Ų | 38 | 59 Ų | 59 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 165.9 | 178.1 | 66.3 | -94.2 | 0 | 0 | 0 | 111.4 | L159 V163 I173 E203 K206 L207 | L159-Y161 VanDerWaalsContact C-N 3.29Å; L159-Y161 WeakPolarHBondContact CB-O 3.37Å; L159-Y161 PolarHBondContact O-N 3.3Å; Y161-V163 HydrophobicContact CD2-CG2 4.38Å; Y161-V163 HydrophobicContact CE2-CG2 4.33Å; Y161-I173 CarbonylContact C-O 3.57Å; Y161-I173 WeakPolarHBondContact CA-O 3.45Å; Y161-I173 WeakPolarHBondContact CB-O 3.46Å; Y161-E203 HydrophobicContact CD1-CB 4.17Å; Y161-E203 WeakPolarHBondContact CD1-OE2 3.04Å; Y161-E203 WeakPolarHBondContact CE1-OE2 3.33Å; Y161-K206 HydrophobicContact CE1-CD 3.99Å; Y161-K206 WeakPolarHBondContact OH-CE 3.37Å; Y161-K206 PolarHBondContact OH-NZ 3.43Å; Y161-L207 HydrophobicContact CD2-CD1 4.47Å; Y161-L207 HydrophobicContact CD2-CD2 3.53Å; Y161-L207 HydrophobicContact CD2-CG 4.13Å; Y161-L207 HydrophobicContact CE2-CD2 3.7Å; Y161-L207 HydrophobicContact CE2-CG 4.4Å; Y161-L207 HydrophobicContact CG-CD1 4.37Å; Y161-L207 HydrophobicContact CG-CD2 4.19Å; Y161-L207 HydrophobicContact CG-CG 4.3Å |
| 162 | K | 98.9 | Very high | 96.8 | Very high | 86 Ų | 86 | 57.2 Ų | 57.2 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 141.1 | 166.6 | -167.9 | 74.7 | 171.6 | -173 | 0 | 110.4 | P138 L140 L159 L164 I173 | P138-K162 HydrophobicContact CB-CB 4.01Å; P138-K162 HydrophobicContact CB-CD 4.22Å; P138-K162 HydrophobicContact CB-CG 4Å; P138-K162 HydrophobicContact CG-CB 4.08Å; P138-K162 HydrophobicContact CG-CG 3.94Å; L140-K162 HydrophobicContact CD2-CB 4.08Å; L159-K162 HydrophobicContact CD1-CD 3.92Å; K162-L164 HydrophobicContact CG-CD2 3.6Å; K162-L164 HydrophobicContact CG-CG 4.22Å; K162-I173 PolarHBondContact N-O 3.22Å; K162-I173 PolarHBondContact O-N 3.48Å |
| 163 | V | 98.9 | Very high | 97.1 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 30% | 0.303 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.5 | 168.7 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | Y161 V170 L207 V212 | Y161-V163 HydrophobicContact CD2-CG2 4.38Å; Y161-V163 HydrophobicContact CE2-CG2 4.33Å; V163-V170 HydrophobicContact CG1-CB 3.78Å; V163-V170 HydrophobicContact CG1-CG1 4.24Å; V163-V170 HydrophobicContact CG1-CG2 4.25Å; V163-L207 HydrophobicContact CG2-CD2 3.55Å; V163-V212 HydrophobicContact CG1-CG2 3.96Å; V163-V212 HydrophobicContact CG2-CG2 3.88Å |
| 164 | L | 98.7 | Very high | 97.4 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.5 | -178.2 | -62.8 | -177 | 0 | 0 | 0 | 110.7 | L79 D111 K162 V170 V171 I173 | L79-L164 HydrophobicContact CD2-CD1 4Å; D111-L164 HydrophobicContact CB-CD1 4.11Å; D111-L164 WeakPolarHBondContact O-CD1 3.18Å; K162-L164 HydrophobicContact CG-CD2 3.6Å; K162-L164 HydrophobicContact CG-CG 4.22Å; L164-V170 WeakPolarHBondContact O-CA 3.49Å; L164-V171 PolarHBondContact N-O 2.76Å; L164-V171 PolarHBondContact O-N 2.9Å; L164-I173 HydrophobicContact CD1-CD1 3.61Å; L164-I173 HydrophobicContact CG-CD1 4.36Å |
| 165 | P | 98.4 | Very high | 97.7 | Very high | 106 Ų | 106 | 47.2 Ų | 47.2 | 69% | 0.688 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 134.5 | 169.8 | 30.8 | -32.7 | 0 | 0 | 0 | 110.2 | ||
| 166 | V | 98.1 | Very high | 98 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 102.4 | 176.1 | -171.9 | 0 | 0 | 0 | 0 | 108.5 | W27 L29 N77 L79 D168 E169 V171 | W27-V166 HydrophobicContact CH2-CB 4.12Å; W27-V166 HydrophobicContact CH2-CG1 4.1Å; W27-V166 HydrophobicContact CZ2-CB 3.94Å; W27-V166 HydrophobicContact CZ2-CG1 3.82Å; W27-V166 WeakPolarHBondContact CZ2-O 2.95Å; L29-V166 HydrophobicContact CD1-CG1 4.08Å; N77-V166 HydrophobicContact CB-CG1 3.69Å; L79-V166 HydrophobicContact CD1-CG2 4.14Å; L79-V166 HydrophobicContact CD2-CG2 3.79Å; L79-V166 HydrophobicContact CG-CG2 3.98Å; V166-D168 PolarHBondContact O-N 2.77Å; V166-E169 PolarHBondContact N-O 3.48Å; V166-E169 PolarHBondContact O-N 2.8Å; V166-E169 VanDerWaalsContact O-N 3.16Å; V166-V171 HydrophobicContact CB-CG2 4.45Å; V166-V171 HydrophobicContact CG2-CB 4.43Å; V166-V171 HydrophobicContact CG2-CG2 3.97Å |
| 167 | G | 95.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 59% | 0.588 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | -128.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 168 | D | 93.9 | Very high | 97.6 | Very high | 171 Ų | 171 | 37.6 Ų | 37.6 | 91% | 0.914 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -0.2 | 177.5 | -59.7 | -44.7 | 0 | 0 | 0 | 113.4 | V166 | V166-D168 PolarHBondContact O-N 2.77Š|
| 169 | E | 97.9 | Very high | 97.1 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 171 | -178.3 | -68.4 | -71 | 140.4 | 0 | 0 | 111.9 | W27 V166 K214 | W27-E169 HydrophobicContact CD2-CB 4.37Å; W27-E169 HydrophobicContact CD2-CG 3.98Å; W27-E169 HydrophobicContact CG-CG 4Å; W27-E169 HydrophobicContact CH2-CB 4.38Å; W27-E169 HydrophobicContact CZ2-CB 3.83Å; W27-E169 HydrophobicContact CZ2-CG 4.27Å; V166-E169 PolarHBondContact N-O 3.48Å; V166-E169 PolarHBondContact O-N 2.8Å; V166-E169 VanDerWaalsContact O-N 3.16Å; E169-K214 WeakPolarHBondContact OE2-CE 3.22Å; E169-K214 IonicContact OE2-NZ 3.29Å; E169-K214 PolarHBondContact OE2-NZ 3.08Å |
| 170 | V | 98.5 | Very high | 96 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 35% | 0.352 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.3 | 171 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | V163 L164 V212 | V163-V170 HydrophobicContact CG1-CB 3.78Å; V163-V170 HydrophobicContact CG1-CG1 4.24Å; V163-V170 HydrophobicContact CG1-CG2 4.25Å; L164-V170 WeakPolarHBondContact O-CA 3.49Å; V170-V212 HydrophobicContact CG2-CG2 4.43Å |
| 171 | V | 98.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.4 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | W27 L29 L79 L164 V166 I173 I216 | W27-V171 HydrophobicContact CH2-CG2 3.76Å; W27-V171 HydrophobicContact CZ3-CG2 4.19Å; L29-V171 HydrophobicContact CD2-CG2 4.28Å; L79-V171 HydrophobicContact CD1-CB 4.23Å; L79-V171 HydrophobicContact CD1-CG1 4.08Å; L79-V171 HydrophobicContact CD1-CG2 4.44Å; L164-V171 PolarHBondContact N-O 2.76Å; L164-V171 PolarHBondContact O-N 2.9Å; V166-V171 HydrophobicContact CB-CG2 4.45Å; V166-V171 HydrophobicContact CG2-CB 4.43Å; V166-V171 HydrophobicContact CG2-CG2 3.97Å; V171-I173 HydrophobicContact CG1-CG1 4.42Å; V171-I216 HydrophobicContact CG1-CD1 3.66Å; V171-I216 HydrophobicContact CG1-CG1 3.95Å |
| 172 | G | 98.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 130.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | K214 I215 I216 | G172-K214 PolarHBondContact N-O 3.18Å; G172-I215 CarbonylContact O-C 3.45Å; G172-I215 WeakPolarHBondContact O-CA 3.42Å; G172-I216 PolarHBondContact O-N 3.4Å |
| 173 | I | 98.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.5 | 175.5 | -50.7 | -178.2 | 0 | 0 | 0 | 107.9 | L79 L81 A112 L140 Y161 K162 L164 V171 I216 L218 | L79-I173 HydrophobicContact CD1-CD1 4.27Å; L81-I173 HydrophobicContact CD1-CD1 4.41Å; L81-I173 HydrophobicContact CD2-CD1 3.63Å; A112-I173 HydrophobicContact CB-CD1 4.08Å; L140-I173 HydrophobicContact CD1-CB 3.95Å; L140-I173 HydrophobicContact CD1-CG2 3.53Å; Y161-I173 CarbonylContact C-O 3.57Å; Y161-I173 WeakPolarHBondContact CA-O 3.45Å; Y161-I173 WeakPolarHBondContact CB-O 3.46Å; K162-I173 PolarHBondContact N-O 3.22Å; K162-I173 PolarHBondContact O-N 3.48Å; L164-I173 HydrophobicContact CD1-CD1 3.61Å; L164-I173 HydrophobicContact CG-CD1 4.36Å; V171-I173 HydrophobicContact CG1-CG1 4.42Å; I173-I216 CarbonylContact C-O 3.57Å; I173-I216 WeakPolarHBondContact CA-O 3.4Å; I173-I216 HydrophobicContact CG1-CB 4.49Å; I173-L218 HydrophobicContact CG2-CB 3.7Å; I173-L218 HydrophobicContact CG2-CD2 4Å |
| 174 | V | 98.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.6 | 178.7 | 63.9 | 0 | 0 | 0 | 0 | 110 | A142 L200 E203 V204 I215 I216 A217 L218 | A142-V174 HydrophobicContact CB-CG2 4.13Å; V174-L200 HydrophobicContact CB-CD2 4.15Å; V174-L200 HydrophobicContact CG1-CD2 3.79Å; V174-L200 HydrophobicContact CG2-CD2 3.36Å; V174-E203 HydrophobicContact CG2-CB 3.95Å; V174-V204 HydrophobicContact CG1-CG2 3.95Å; V174-I215 HydrophobicContact CG1-CG2 4.32Å; V174-I216 PolarHBondContact N-O 3.31Å; V174-A217 HydrophobicContact CG1-CB 4.09Å; V174-A217 WeakPolarHBondContact O-CA 3.25Å; V174-L218 PolarHBondContact O-N 3Å |
| 175 | G | 98.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 149.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | A142 P160 L218 | A142-G175 WeakPolarHBondContact CB-O 3.27Å; A142-G175 PolarHBondContact N-O 3.2Å; P160-G175 PolarHBondContact O-N 2.89Å; G175-L218 CarbonylContact C-O 3.56Å; G175-L218 WeakPolarHBondContact CA-O 3.38Å |
| 176 | Y | 98.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 153.4 | 165.7 | 60.4 | -83.8 | 0 | 0 | 0 | 112.1 | N143 E196 L200 A217 L218 G219 H220 S221 D226 I229 V239 | N143-Y176 WeakPolarHBondContact OD1-CA 3.48Å; Y176-E196 HydrophobicContact CD2-CG 4.17Å; Y176-L200 HydrophobicContact CD1-CD1 3.9Å; Y176-L200 HydrophobicContact CD1-CD2 4.27Å; Y176-L200 HydrophobicContact CG-CD1 4.12Å; Y176-A217 HydrophobicContact CD1-CB 4.43Å; Y176-A217 HydrophobicContact CE1-CB 3.96Å; Y176-L218 WeakPolarHBondContact CD1-O 3.5Å; Y176-L218 VanDerWaalsContact CE1-C 3.4Å; Y176-L218 PolarHBondContact N-O 2.99Å; Y176-L218 VanDerWaalsContact N-O 3.13Å; Y176-G219 VanDerWaalsContact CE1-CA 3.44Å; Y176-G219 VanDerWaalsContact CE1-N 3.3Å; Y176-G219 VanDerWaalsContact CE2-C 3.46Å; Y176-G219 CarbonylContact O-C 3.55Å; Y176-G219 WeakPolarHBondContact O-CA 3.35Å; Y176-H220 PolarHBondContact O-N 3.02Å; Y176-S221 WeakPolarHBondContact CD2-OG 3.3Å; Y176-D226 PolarHBondContact OH-OD1 3.2Å; Y176-I229 HydrophobicContact CD1-CD1 4.09Å; Y176-I229 HydrophobicContact CD2-CD1 3.67Å; Y176-I229 HydrophobicContact CE1-CD1 3.93Å; Y176-I229 HydrophobicContact CE2-CD1 3.48Å; Y176-I229 VanDerWaalsContact CE2-CD1 3.48Å; Y176-I229 HydrophobicContact CG-CD1 3.98Å; Y176-V239 VanDerWaalsContact OH-CG1 3.31Å; Y176-V239 WeakPolarHBondContact OH-CG1 3.41Å |
| 177 | T | 95.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.6 | -178.3 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | L115 F120 S141 N143 I144 K179 F193 | L115-T177 WeakPolarHBondContact O-CB 3.23Å; L115-T177 WeakPolarHBondContact O-CG2 3.04Å; L115-T177 PolarHBondContact O-OG1 2.83Å; F120-T177 HydrophobicContact CE2-CG2 4.45Å; S141-T177 WeakPolarHBondContact CB-OG1 3.21Å; S141-T177 PolarHBondContact OG-OG1 3.03Å; N143-T177 PolarHBondContact ND2-O 2.93Å; N143-T177 PolarHBondContact OD1-N 3.03Å; N143-T177 PolarHBondContact OD1-O 2.63Å; I144-T177 HydrophobicContact CD1-CG2 4.29Å; T177-K179 PolarHBondContact O-N 3.13Å; T177-F193 HydrophobicContact CG2-CD1 4.26Å; T177-F193 HydrophobicContact CG2-CE1 3.87Å |
| 178 | S | 86.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | trans | -50.2 | 129 | -177.4 | -178.4 | 0 | 0 | 0 | 0 | 113.2 | E180 T181 F193 H220 S221 | S178-E180 PolarHBondContact O-N 2.61Å; S178-E180 WeakPolarHBondContact OG-CB 3.28Å; S178-E180 PolarHBondContact OG-N 3.2Å; S178-T181 WeakPolarHBondContact O-CB 3.47Å; S178-T181 PolarHBondContact O-N 2.97Å; S178-T181 VanDerWaalsContact O-N 3.09Å; S178-T181 PolarHBondContact O-OG1 3.08Å; S178-F193 WeakPolarHBondContact O-CD1 3.19Å; S178-H220 WeakPolarHBondContact CA-O 3.37Å; S178-H220 VanDerWaalsContact CB-O 3.23Å; S178-H220 WeakPolarHBondContact CB-O 3.24Å; S178-H220 PolarHBondContact N-O 3.49Å; S178-S221 VanDerWaalsContact CA-OG 3.24Å; S178-S221 WeakPolarHBondContact CA-OG 3.2Å; S178-S221 PolarHBondContact N-OG 3.47Å | ||
| 179 | K | 88.1 | Confident | 86.5 | Confident | 109 Ų | 109 | 38.6 Ų | 38.6 | 47% | 0.474 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.2 | 168.6 | -173 | 173.5 | 179.6 | -176.5 | 0 | 113.3 | T177 T181 P182 E196 | T177-K179 PolarHBondContact O-N 3.13Å; K179-T181 VanDerWaalsContact C-N 3.27Å; K179-T181 PolarHBondContact O-N 2.89Å; K179-P182 WeakPolarHBondContact O-CD 3.49Å; K179-E196 PolarHBondContact N-OE1 3.22Å; K179-E196 VanDerWaalsContact N-OE1 3.13Å |
| 180 | E | 76.7 | Confident | 86.1 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -9.7 | 176.8 | -65 | 175.7 | -93.7 | 0 | 0 | 112.9 | S178 P182 F183 L184 R441 | S178-E180 PolarHBondContact O-N 2.61Å; S178-E180 WeakPolarHBondContact OG-CB 3.28Å; S178-E180 PolarHBondContact OG-N 3.2Å; E180-P182 VanDerWaalsContact C-CD 3.41Å; E180-P182 VanDerWaalsContact C-N 3.34Å; E180-P182 VanDerWaalsContact O-N 3.1Å; E180-F183 WeakPolarHBondContact O-CA 3.26Å; E180-F183 WeakPolarHBondContact O-CB 3.37Å; E180-F183 PolarHBondContact O-N 3.05Å; E180-L184 HydrophobicContact CB-CD1 3.73Å; E180-L184 HydrophobicContact CB-CG 4.13Å; E180-L184 WeakPolarHBondContact O-CG 3.49Å; E180-L184 PolarHBondContact O-N 3.22Å; E180-R441 IonicContact OE2-CZ 3.36Å; E180-R441 IonicContact OE2-NH1 3.55Å; E180-R441 PolarHBondContact OE2-NH1 2.81Å; E180-R441 IonicContact OE2-NH2 3.33Å |
| 181 | T | 73.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -47.6 | -42.1 | -175.9 | -58.4 | 0 | 0 | 0 | 0 | 115 | N117 F120 S178 K179 F183 L184 S185 P187 F193 | N117-T181 HydrophobicContact CB-CG2 3.9Å; F120-T181 HydrophobicContact CB-CG2 4.47Å; F120-T181 HydrophobicContact CD2-CG2 3.73Å; F120-T181 HydrophobicContact CE2-CG2 4.32Å; F120-T181 HydrophobicContact CG-CG2 4.25Å; S178-T181 WeakPolarHBondContact O-CB 3.47Å; S178-T181 PolarHBondContact O-N 2.97Å; S178-T181 VanDerWaalsContact O-N 3.09Å; S178-T181 PolarHBondContact O-OG1 3.08Å; K179-T181 VanDerWaalsContact C-N 3.27Å; K179-T181 PolarHBondContact O-N 2.89Å; T181-F183 PolarHBondContact O-N 3.13Å; T181-F183 VanDerWaalsContact O-N 3.1Å; T181-L184 PolarHBondContact O-N 2.78Å; T181-L184 VanDerWaalsContact O-N 3.08Å; T181-S185 PolarHBondContact O-N 3.42Å; T181-P187 HydrophobicContact CG2-CB 4.49Å; T181-P187 HydrophobicContact CG2-CG 4.23Å; T181-F193 VanDerWaalsContact CB-CE1 3.49Å; T181-F193 HydrophobicContact CG2-CD1 4.46Å; T181-F193 HydrophobicContact CG2-CE1 3.64Å; T181-F193 HydrophobicContact CG2-CE2 4.27Å; T181-F193 HydrophobicContact CG2-CZ 3.54Å |
| 182 | P | 78 | Confident | 85.3 | Confident | 58 Ų | 58 | 38.7 Ų | 38.7 | 38% | 0.377 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -18.2 | 176 | -25 | 36.6 | 0 | 0 | 0 | 115.5 | K179 E180 P187 F193 | K179-P182 WeakPolarHBondContact O-CD 3.49Å; E180-P182 VanDerWaalsContact C-CD 3.41Å; E180-P182 VanDerWaalsContact C-N 3.34Å; E180-P182 VanDerWaalsContact O-N 3.1Å; P182-P187 HydrophobicContact CB-CG 4.26Å; P182-P187 HydrophobicContact CG-CG 4.24Å; P182-F193 HydrophobicContact CG-CD2 3.69Å; P182-F193 HydrophobicContact CG-CE2 4.17Å; P182-F193 HydrophobicContact CG-CG 4.36Å |
| 183 | F | 62.1 | Low | 84.9 | Confident | 111 Ų | 111 | 39.4 Ų | 39.4 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -101.6 | -11.4 | 178 | -50.9 | -70.8 | 0 | 0 | 0 | 113.2 | E180 T181 F500 | E180-F183 WeakPolarHBondContact O-CA 3.26Å; E180-F183 WeakPolarHBondContact O-CB 3.37Å; E180-F183 PolarHBondContact O-N 3.05Å; T181-F183 PolarHBondContact O-N 3.13Å; T181-F183 VanDerWaalsContact O-N 3.1Å; F183-F500 WeakPolarHBondContact O-CE2 3.3Å; F183-F500 WeakPolarHBondContact O-CZ 3.32Å |
| 184 | L | 62.8 | Low | 84.7 | Confident | 28 Ų | 28 | 42.9 Ų | 42.9 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -111 | -20.9 | -174.3 | -59.7 | 179.4 | 0 | 0 | 0 | 112.8 | N117 E180 T181 | N117-L184 HydrophobicContact CB-CB 4.42Å; E180-L184 HydrophobicContact CB-CD1 3.73Å; E180-L184 HydrophobicContact CB-CG 4.13Å; E180-L184 WeakPolarHBondContact O-CG 3.49Å; E180-L184 PolarHBondContact O-N 3.22Å; T181-L184 PolarHBondContact O-N 2.78Å; T181-L184 VanDerWaalsContact O-N 3.08Å |
| 185 | S | 78.2 | Confident | 84.6 | Confident | 24 Ų | 24 | 45.8 Ų | 45.8 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -147.7 | -161.4 | -176.1 | -166.3 | 0 | 0 | 0 | 0 | 111.2 | N117 F120 D121 T181 P187 | N117-S185 WeakPolarHBondContact O-CB 3.47Å; N117-S185 PolarHBondContact O-OG 2.94Å; N117-S185 VanDerWaalsContact O-OG 3.07Å; F120-S185 PolarHBondContact O-OG 3.17Å; D121-S185 VanDerWaalsContact CA-OG 3.25Å; D121-S185 WeakPolarHBondContact CA-OG 3.29Å; D121-S185 PolarHBondContact N-OG 2.74Å; D121-S185 WeakPolarHBondContact OD1-CB 3.29Å; D121-S185 PolarHBondContact OD1-OG 2.86Å; T181-S185 PolarHBondContact O-N 3.42Å; S185-P187 WeakPolarHBondContact O-CD 3.18Å |
| 186 | N | 78.1 | Confident | 84.5 | Confident | 101 Ų | 101 | 46.5 Ų | 46.5 | 54% | 0.54 | 25% | 0.254 | S | S | . | . | trans | -122.4 | 58.5 | -173.5 | -166.6 | 14.4 | 0 | 0 | 0 | 114 | F120 G123 G188 | F120-N186 CarbonylContact O-C 3.59Å; F120-N186 PolarHBondContact O-N 3.04Å; G123-N186 WeakPolarHBondContact CA-O 3.5Å; N186-G188 PolarHBondContact O-N 2.98Å; N186-G188 VanDerWaalsContact O-N 3.11Å | ||
| 187 | P | 79.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | trans | -72.4 | -2.5 | -179.6 | 33 | -38.1 | 0 | 0 | 0 | 114.3 | F120 V124 T181 P182 S185 L191 F193 | F120-P187 HydrophobicContact CB-CB 4.21Å; F120-P187 HydrophobicContact CD1-CB 3.88Å; F120-P187 HydrophobicContact CG-CB 4.08Å; V124-P187 VanDerWaalsContact CG2-O 3.32Å; V124-P187 WeakPolarHBondContact CG2-O 3.41Å; T181-P187 HydrophobicContact CG2-CB 4.49Å; T181-P187 HydrophobicContact CG2-CG 4.23Å; P182-P187 HydrophobicContact CB-CG 4.26Å; P182-P187 HydrophobicContact CG-CG 4.24Å; S185-P187 WeakPolarHBondContact O-CD 3.18Å; P187-L191 HydrophobicContact CB-CB 4.46Å; P187-L191 HydrophobicContact CB-CD1 4.17Å; P187-F193 HydrophobicContact CB-CE2 3.59Å; P187-F193 HydrophobicContact CB-CZ 3.8Å; P187-F193 HydrophobicContact CG-CE2 3.78Å; P187-F193 HydrophobicContact CG-CZ 4.23Å | ||
| 188 | G | 81.1 | Confident | 84.6 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 44% | 0.443 | 29% | 0.291 | S | S | . | . | trans | 68.8 | -172.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N186 | N186-G188 PolarHBondContact O-N 2.98Å; N186-G188 VanDerWaalsContact O-N 3.11Å | ||
| 189 | T | 86.3 | Confident | 85.2 | Confident | 132 Ų | 132 | 52.9 Ų | 52.9 | 81% | 0.81 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -94.7 | -8.2 | -175.3 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 190 | N | 90.4 | Very high | 85.7 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 40% | 0.401 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -92.1 | -5.8 | -176.4 | -70.2 | -39.1 | 0 | 0 | 0 | 113.5 | K147 L150 | K147-N190 PolarHBondContact N-O 2.83Å; L150-N190 HydrophobicContact CB-CB 4.14Å; L150-N190 HydrophobicContact CD2-CB 3.67Å |
| 191 | L | 88.6 | Confident | 86.7 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.1 | 172 | -64.1 | -174.7 | 0 | 0 | 0 | 109.8 | F120 V124 I144 A146 L150 P187 F193 | F120-L191 HydrophobicContact CD1-CD1 4.03Å; F120-L191 HydrophobicContact CE1-CD1 3.48Å; F120-L191 VanDerWaalsContact CE1-CD1 3.48Å; F120-L191 HydrophobicContact CZ-CD1 4.38Å; V124-L191 HydrophobicContact CG2-CD1 3.6Å; V124-L191 HydrophobicContact CG2-CG 4.17Å; I144-L191 HydrophobicContact CG2-CB 4.41Å; I144-L191 HydrophobicContact CG2-CD1 4.38Å; I144-L191 HydrophobicContact CG2-CD2 4.07Å; A146-L191 HydrophobicContact CB-CD2 3.75Å; L150-L191 HydrophobicContact CD2-CD2 3.64Å; L150-L191 HydrophobicContact CD2-CG 3.93Å; P187-L191 HydrophobicContact CB-CB 4.46Å; P187-L191 HydrophobicContact CB-CD1 4.17Å; L191-F193 HydrophobicContact CB-CE2 3.91Å |
| 192 | V | 91 | Very high | 87.9 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 28% | 0.279 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.5 | 172.2 | 178 | 0 | 0 | 0 | 0 | 108.9 | I144 K145 K147 E194 | I144-V192 CarbonylContact C-O 3.52Å; I144-V192 WeakPolarHBondContact CA-O 3.24Å; K145-V192 PolarHBondContact N-O 3.13Å; K145-V192 PolarHBondContact O-N 2.83Å; K147-V192 HydrophobicContact CD-CG2 3.84Å; K147-V192 HydrophobicContact CG-CG2 4.49Å; K147-V192 VanDerWaalsContact NZ-CG2 3.31Å; V192-E194 HydrophobicContact CG1-CG 4.2Å |
| 193 | F | 91.1 | Very high | 88.9 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 103.4 | 174 | -64.5 | -106.4 | 0 | 0 | 0 | 107.8 | F120 I144 T177 S178 T181 P182 P187 L191 | F120-F193 HydrophobicContact CD2-CZ 4.39Å; F120-F193 HydrophobicContact CE1-CZ 4.35Å; F120-F193 HydrophobicContact CE2-CE1 4.14Å; F120-F193 HydrophobicContact CE2-CZ 4.04Å; F120-F193 HydrophobicContact CZ-CE1 4.35Å; F120-F193 HydrophobicContact CZ-CZ 4.03Å; I144-F193 HydrophobicContact CD1-CD1 4.11Å; I144-F193 HydrophobicContact CD1-CE1 3.48Å; I144-F193 VanDerWaalsContact CD1-CE1 3.48Å; I144-F193 HydrophobicContact CD1-CZ 4.02Å; I144-F193 HydrophobicContact CG1-CD1 3.72Å; I144-F193 HydrophobicContact CG1-CE1 3.6Å; I144-F193 HydrophobicContact CG1-CG 4.44Å; I144-F193 HydrophobicContact CG1-CZ 4.22Å; T177-F193 HydrophobicContact CG2-CD1 4.26Å; T177-F193 HydrophobicContact CG2-CE1 3.87Å; S178-F193 WeakPolarHBondContact O-CD1 3.19Å; T181-F193 VanDerWaalsContact CB-CE1 3.49Å; T181-F193 HydrophobicContact CG2-CD1 4.46Å; T181-F193 HydrophobicContact CG2-CE1 3.64Å; T181-F193 HydrophobicContact CG2-CE2 4.27Å; T181-F193 HydrophobicContact CG2-CZ 3.54Å; P182-F193 HydrophobicContact CG-CD2 3.69Å; P182-F193 HydrophobicContact CG-CE2 4.17Å; P182-F193 HydrophobicContact CG-CG 4.36Å; P187-F193 HydrophobicContact CB-CE2 3.59Å; P187-F193 HydrophobicContact CB-CZ 3.8Å; P187-F193 HydrophobicContact CG-CE2 3.78Å; P187-F193 HydrophobicContact CG-CZ 4.23Å; L191-F193 HydrophobicContact CB-CE2 3.91Å |
| 194 | E | 93.9 | Very high | 90.7 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 34% | 0.341 | 25% | 0.248 | S | C | . | . | trans | -76.3 | 166.4 | 178.7 | -61.8 | -178 | 150 | 0 | 0 | 110.9 | N143 K145 V192 E196 A199 | N143-E194 HydrophobicContact CB-CB 4.3Å; N143-E194 PolarHBondContact ND2-O 3.01Å; N143-E194 PolarHBondContact O-N 2.86Å; K145-E194 WeakPolarHBondContact CE-OE2 3.36Å; K145-E194 HydrophobicContact CG-CG 4.2Å; K145-E194 WeakPolarHBondContact CG-OE1 3.46Å; V192-E194 HydrophobicContact CG1-CG 4.2Å; E194-E196 PolarHBondContact O-N 3.02Å; E194-A199 HydrophobicContact CB-CB 4.46Å | ||
| 195 | D | 96.7 | Very high | 92.4 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | trans | -59.6 | 129.5 | 169.8 | 172.3 | -100.7 | 0 | 0 | 0 | 110.2 | I197 T198 A199 | D195-I197 PolarHBondContact O-N 2.97Å; D195-I197 PolarHBondContact OD1-N 3.23Å; D195-T198 PolarHBondContact O-N 2.99Å; D195-T198 VanDerWaalsContact OD1-CB 3.28Å; D195-T198 WeakPolarHBondContact OD1-CB 3.45Å; D195-T198 PolarHBondContact OD1-N 2.82Å; D195-T198 PolarHBondContact OD1-OG1 2.95Å; D195-A199 WeakPolarHBondContact O-CB 3.37Å; D195-A199 PolarHBondContact O-N 3.13Å | ||
| 196 | E | 97.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | -171.9 | -66.3 | 86.4 | 161.3 | 0 | 0 | 111.2 | Y176 K179 E194 T198 A199 L200 S221 T225 I229 | Y176-E196 HydrophobicContact CD2-CG 4.17Å; K179-E196 PolarHBondContact N-OE1 3.22Å; K179-E196 VanDerWaalsContact N-OE1 3.13Å; E194-E196 PolarHBondContact O-N 3.02Å; E196-T198 PolarHBondContact O-N 3.06Å; E196-A199 PolarHBondContact O-N 2.8Å; E196-L200 VanDerWaalsContact O-CB 3.24Å; E196-L200 WeakPolarHBondContact O-CB 3.19Å; E196-L200 WeakPolarHBondContact O-CG 3.45Å; E196-L200 PolarHBondContact O-N 3.1Å; E196-S221 WeakPolarHBondContact CG-OG 3.15Å; E196-S221 WeakPolarHBondContact OE1-CB 3.46Å; E196-S221 PolarHBondContact OE1-OG 3.21Å; E196-T225 HydrophobicContact CB-CG2 4.46Å; E196-T225 HydrophobicContact CG-CG2 4.31Å; E196-I229 HydrophobicContact CB-CD1 4.13Å |
| 197 | I | 98.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 43 Ų | 43 | 16% | 0.159 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | -176.3 | -60 | 177.1 | 0 | 0 | 0 | 110.4 | D195 A199 L200 Q201 L228 I229 K232 V233 | D195-I197 PolarHBondContact O-N 2.97Å; D195-I197 PolarHBondContact OD1-N 3.23Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 2.69Å; I197-L200 PolarHBondContact O-N 2.73Å; I197-Q201 PolarHBondContact O-N 2.81Å; I197-Q201 VanDerWaalsContact O-N 3.15Å; I197-L228 HydrophobicContact CD1-CB 3.92Å; I197-I229 HydrophobicContact CG1-CG1 4.08Å; I197-K232 HydrophobicContact CD1-CB 4.22Å; I197-K232 HydrophobicContact CD1-CD 3.87Å; I197-K232 HydrophobicContact CD1-CG 4.41Å; I197-K232 HydrophobicContact CG2-CB 3.98Å; I197-V233 HydrophobicContact CB-CG2 4.36Å; I197-V233 HydrophobicContact CG1-CG2 4.41Å; I197-V233 HydrophobicContact CG2-CG2 3.93Å |
| 198 | T | 98.2 | Very high | 95.3 | Very high | 99 Ų | 99 | 46.4 Ų | 46.4 | 61% | 0.607 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.1 | -40.4 | 177.6 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | D195 E196 P202 | D195-T198 PolarHBondContact O-N 2.99Å; D195-T198 VanDerWaalsContact OD1-CB 3.28Å; D195-T198 WeakPolarHBondContact OD1-CB 3.45Å; D195-T198 PolarHBondContact OD1-N 2.82Å; D195-T198 PolarHBondContact OD1-OG1 2.95Å; E196-T198 PolarHBondContact O-N 3.06Å; T198-P202 WeakPolarHBondContact O-CD 3.43Å |
| 199 | A | 98.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -79.7 | -32.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N143 E194 D195 E196 I197 | N143-A199 HydrophobicContact CB-CB 3.39Å; E194-A199 HydrophobicContact CB-CB 4.46Å; D195-A199 WeakPolarHBondContact O-CB 3.37Å; D195-A199 PolarHBondContact O-N 3.13Å; E196-A199 PolarHBondContact O-N 2.8Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 2.69Å |
| 200 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.2 | -43.6 | -178.4 | -75.6 | 172.8 | 0 | 0 | 0 | 112.7 | A142 V174 Y176 E196 I197 E203 V204 I229 V233 | A142-L200 HydrophobicContact CB-CD2 4.27Å; V174-L200 HydrophobicContact CB-CD2 4.15Å; V174-L200 HydrophobicContact CG1-CD2 3.79Å; V174-L200 HydrophobicContact CG2-CD2 3.36Å; Y176-L200 HydrophobicContact CD1-CD1 3.9Å; Y176-L200 HydrophobicContact CD1-CD2 4.27Å; Y176-L200 HydrophobicContact CG-CD1 4.12Å; E196-L200 VanDerWaalsContact O-CB 3.24Å; E196-L200 WeakPolarHBondContact O-CB 3.19Å; E196-L200 WeakPolarHBondContact O-CG 3.45Å; E196-L200 PolarHBondContact O-N 3.1Å; I197-L200 PolarHBondContact O-N 2.73Å; L200-E203 PolarHBondContact O-N 2.72Å; L200-E203 VanDerWaalsContact O-N 3.1Å; L200-V204 WeakPolarHBondContact O-CG2 3Å; L200-V204 PolarHBondContact O-N 2.7Å; L200-I229 HydrophobicContact CD1-CD1 3.77Å; L200-I229 HydrophobicContact CD1-CG1 3.91Å; L200-I229 HydrophobicContact CD1-CG2 3.8Å; L200-V233 HydrophobicContact CB-CG1 4.15Å; L200-V233 HydrophobicContact CB-CG2 4.15Å; L200-V233 HydrophobicContact CD1-CG2 4.39Å |
| 201 | Q | 98.8 | Very high | 97 | Very high | 22 Ų | 22 | 51 Ų | 51 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.5 | -47 | -172.2 | -174.6 | 68.4 | 67.2 | 0 | 0 | 113.4 | I197 E203 V204 D205 R234 | I197-Q201 PolarHBondContact O-N 2.81Å; I197-Q201 VanDerWaalsContact O-N 3.15Å; Q201-E203 VanDerWaalsContact C-N 3.32Å; Q201-E203 PolarHBondContact O-N 2.9Å; Q201-V204 PolarHBondContact O-N 3.47Å; Q201-D205 PolarHBondContact NE2-OD1 3.14Å; Q201-D205 WeakPolarHBondContact O-CB 3.14Å; Q201-D205 PolarHBondContact O-N 3.12Å; Q201-R234 PolarHBondContact NE2-O 3.36Å; Q201-R234 VanDerWaalsContact NE2-O 3.1Å |
| 202 | P | 98.8 | Very high | 97.4 | Very high | 72 Ų | 72 | 50.8 Ų | 50.8 | 47% | 0.468 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.1 | -34.9 | 178.4 | -22.7 | 34.9 | 0 | 0 | 0 | 113.7 | T198 K206 | T198-P202 WeakPolarHBondContact O-CD 3.43Å; P202-K206 VanDerWaalsContact O-CB 3.31Å; P202-K206 WeakPolarHBondContact O-CB 3.37Å; P202-K206 PolarHBondContact O-N 3.28Å |
| 203 | E | 98.8 | Very high | 97.8 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.7 | -36.5 | 178.9 | -58.7 | -60.7 | 166.5 | 0 | 0 | 111.4 | A142 P160 Y161 V174 L200 Q201 K206 L207 | A142-E203 HydrophobicContact CB-CG 4.14Å; P160-E203 HydrophobicContact CB-CG 4.05Å; Y161-E203 HydrophobicContact CD1-CB 4.17Å; Y161-E203 WeakPolarHBondContact CD1-OE2 3.04Å; Y161-E203 WeakPolarHBondContact CE1-OE2 3.33Å; V174-E203 HydrophobicContact CG2-CB 3.95Å; L200-E203 PolarHBondContact O-N 2.72Å; L200-E203 VanDerWaalsContact O-N 3.1Å; Q201-E203 VanDerWaalsContact C-N 3.32Å; Q201-E203 PolarHBondContact O-N 2.9Å; E203-K206 WeakPolarHBondContact O-CB 3.11Å; E203-K206 PolarHBondContact O-N 3.34Å; E203-L207 WeakPolarHBondContact O-CG 3.38Å; E203-L207 PolarHBondContact O-N 3.05Å |
| 204 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 173.1 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | V174 L200 Q201 K206 L207 K208 I215 V233 R234 V236 | V174-V204 HydrophobicContact CG1-CG2 3.95Å; L200-V204 WeakPolarHBondContact O-CG2 3Å; L200-V204 PolarHBondContact O-N 2.7Å; Q201-V204 PolarHBondContact O-N 3.47Å; V204-K206 VanDerWaalsContact C-N 3.28Å; V204-K206 PolarHBondContact O-N 2.72Å; V204-L207 WeakPolarHBondContact O-CB 3.48Å; V204-L207 PolarHBondContact O-N 2.77Å; V204-K208 PolarHBondContact O-N 2.88Å; V204-I215 HydrophobicContact CG1-CD1 3.78Å; V204-I215 HydrophobicContact CG1-CG2 4.45Å; V204-I215 HydrophobicContact CG2-CG2 4.24Å; V204-V233 HydrophobicContact CB-CG1 4.3Å; V204-V233 HydrophobicContact CG2-CG1 3.88Å; V204-R234 WeakPolarHBondContact CG1-O 3.43Å; V204-V236 HydrophobicContact CG1-CG2 4.42Å; V204-V236 HydrophobicContact CG2-CG2 3.86Å |
| 205 | D | 98.8 | Very high | 98.4 | Very high | 72 Ų | 72 | 46.6 Ų | 46.6 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.8 | -68.6 | -19 | 0 | 0 | 0 | 110.3 | Q201 L207 K208 T209 | Q201-D205 PolarHBondContact NE2-OD1 3.14Å; Q201-D205 WeakPolarHBondContact O-CB 3.14Å; Q201-D205 PolarHBondContact O-N 3.12Å; D205-L207 PolarHBondContact O-N 3.14Å; D205-K208 PolarHBondContact O-N 3.37Å; D205-T209 WeakPolarHBondContact O-CG2 3.39Å; D205-T209 PolarHBondContact O-N 2.81Å |
| 206 | K | 98.8 | Very high | 98.5 | Very high | 96 Ų | 96 | 43.7 Ų | 43.7 | 42% | 0.417 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 175.6 | -174.7 | -179.4 | -179.6 | -167.5 | 0 | 112.2 | Y161 P202 E203 V204 K208 T209 L210 | Y161-K206 HydrophobicContact CE1-CD 3.99Å; Y161-K206 WeakPolarHBondContact OH-CE 3.37Å; Y161-K206 PolarHBondContact OH-NZ 3.43Å; P202-K206 VanDerWaalsContact O-CB 3.31Å; P202-K206 WeakPolarHBondContact O-CB 3.37Å; P202-K206 PolarHBondContact O-N 3.28Å; E203-K206 WeakPolarHBondContact O-CB 3.11Å; E203-K206 PolarHBondContact O-N 3.34Å; V204-K206 VanDerWaalsContact C-N 3.28Å; V204-K206 PolarHBondContact O-N 2.72Å; K206-K208 VanDerWaalsContact C-N 3.3Å; K206-K208 PolarHBondContact O-N 3.13Å; K206-T209 PolarHBondContact O-N 2.86Å; K206-T209 VanDerWaalsContact O-N 3.11Å; K206-T209 PolarHBondContact O-OG1 2.88Å; K206-L210 HydrophobicContact CG-CD1 4.46Å; K206-L210 WeakPolarHBondContact O-CG 3.24Å; K206-L210 PolarHBondContact O-N 3.04Å; K206-L210 VanDerWaalsContact O-N 3.13Å |
| 207 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.8 | -43 | 175.3 | -78.3 | 170.9 | 0 | 0 | 0 | 111.9 | Y161 V163 E203 V204 D205 T209 L210 V212 I215 | Y161-L207 HydrophobicContact CD2-CD1 4.47Å; Y161-L207 HydrophobicContact CD2-CD2 3.53Å; Y161-L207 HydrophobicContact CD2-CG 4.13Å; Y161-L207 HydrophobicContact CE2-CD2 3.7Å; Y161-L207 HydrophobicContact CE2-CG 4.4Å; Y161-L207 HydrophobicContact CG-CD1 4.37Å; Y161-L207 HydrophobicContact CG-CD2 4.19Å; Y161-L207 HydrophobicContact CG-CG 4.3Å; V163-L207 HydrophobicContact CG2-CD2 3.55Å; E203-L207 WeakPolarHBondContact O-CG 3.38Å; E203-L207 PolarHBondContact O-N 3.05Å; V204-L207 WeakPolarHBondContact O-CB 3.48Å; V204-L207 PolarHBondContact O-N 2.77Å; D205-L207 PolarHBondContact O-N 3.14Å; L207-T209 PolarHBondContact O-N 3.06Å; L207-L210 CarbonylContact O-C 3.58Å; L207-L210 PolarHBondContact O-N 3.06Å; L207-L210 VanDerWaalsContact O-N 3.1Å; L207-V212 HydrophobicContact CB-CB 4.27Å; L207-V212 HydrophobicContact CD2-CB 4.29Å; L207-V212 HydrophobicContact CD2-CG1 4.4Å; L207-V212 HydrophobicContact CD2-CG2 4.18Å; L207-V212 WeakPolarHBondContact O-CB 3.17Å; L207-V212 PolarHBondContact O-N 3.15Å; L207-I215 HydrophobicContact CB-CD1 3.73Å; L207-I215 HydrophobicContact CB-CG1 4.46Å; L207-I215 HydrophobicContact CD1-CD1 4.16Å; L207-I215 HydrophobicContact CD1-CG1 4.36Å; L207-I215 HydrophobicContact CD1-CG2 4.17Å |
| 208 | K | 98.2 | Very high | 98.6 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.4 | -63.2 | -66.6 | -174 | -166 | 0 | 111.8 | V204 D205 K206 L210 N211 V212 N213 I215 G235 D237 | V204-K208 PolarHBondContact O-N 2.88Å; D205-K208 PolarHBondContact O-N 3.37Å; K206-K208 VanDerWaalsContact C-N 3.3Å; K206-K208 PolarHBondContact O-N 3.13Å; K208-L210 PolarHBondContact O-N 2.85Å; K208-N211 PolarHBondContact O-N 3.21Å; K208-V212 WeakPolarHBondContact CD-O 3.24Å; K208-N213 PolarHBondContact NZ-O 2.78Å; K208-I215 HydrophobicContact CD-CD1 3.89Å; K208-I215 HydrophobicContact CG-CD1 4.1Å; K208-G235 WeakPolarHBondContact CE-O 3.49Å; K208-G235 PolarHBondContact NZ-O 3.19Å; K208-D237 IonicContact NZ-OD2 2.74Å |
| 209 | T | 98.4 | Very high | 98.6 | Very high | 106 Ų | 106 | 36.8 Ų | 36.8 | 65% | 0.65 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -64.7 | -22.4 | 174.8 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | D205 K206 L207 N211 | D205-T209 WeakPolarHBondContact O-CG2 3.39Å; D205-T209 PolarHBondContact O-N 2.81Å; K206-T209 PolarHBondContact O-N 2.86Å; K206-T209 VanDerWaalsContact O-N 3.11Å; K206-T209 PolarHBondContact O-OG1 2.88Å; L207-T209 PolarHBondContact O-N 3.06Å; T209-N211 VanDerWaalsContact C-N 3.25Å; T209-N211 PolarHBondContact O-N 3.23Å |
| 210 | L | 97.8 | Very high | 98.5 | Very high | 97 Ų | 97 | 36.5 Ų | 36.5 | 51% | 0.508 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 14.2 | 174.7 | -63.1 | 173.9 | 0 | 0 | 0 | 112.6 | K206 L207 K208 V212 | K206-L210 HydrophobicContact CG-CD1 4.46Å; K206-L210 WeakPolarHBondContact O-CG 3.24Å; K206-L210 PolarHBondContact O-N 3.04Å; K206-L210 VanDerWaalsContact O-N 3.13Å; L207-L210 CarbonylContact O-C 3.58Å; L207-L210 PolarHBondContact O-N 3.06Å; L207-L210 VanDerWaalsContact O-N 3.1Å; K208-L210 PolarHBondContact O-N 2.85Å; L210-V212 HydrophobicContact CB-CG2 4.43Å; L210-V212 PolarHBondContact O-N 3.31Å |
| 211 | N | 97.6 | Very high | 98.1 | Very high | 144 Ų | 144 | 36.7 Ų | 36.7 | 77% | 0.77 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 25.3 | -176.9 | -57.6 | -48.3 | 0 | 0 | 0 | 114.4 | K208 T209 N213 | K208-N211 PolarHBondContact O-N 3.21Å; T209-N211 VanDerWaalsContact C-N 3.25Å; T209-N211 PolarHBondContact O-N 3.23Å; N211-N213 PolarHBondContact O-N 2.68Å |
| 212 | V | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | trans | -88.1 | 106.5 | 171.9 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | V163 V170 L207 K208 L210 I215 | V163-V212 HydrophobicContact CG1-CG2 3.96Å; V163-V212 HydrophobicContact CG2-CG2 3.88Å; V170-V212 HydrophobicContact CG2-CG2 4.43Å; L207-V212 HydrophobicContact CB-CB 4.27Å; L207-V212 HydrophobicContact CD2-CB 4.29Å; L207-V212 HydrophobicContact CD2-CG1 4.4Å; L207-V212 HydrophobicContact CD2-CG2 4.18Å; L207-V212 WeakPolarHBondContact O-CB 3.17Å; L207-V212 PolarHBondContact O-N 3.15Å; K208-V212 WeakPolarHBondContact CD-O 3.24Å; L210-V212 HydrophobicContact CB-CG2 4.43Å; L210-V212 PolarHBondContact O-N 3.31Å; V212-I215 HydrophobicContact CG1-CG1 4.43Å | ||
| 213 | N | 97.9 | Very high | 97.4 | Very high | 41 Ų | 41 | 33.1 Ų | 33.1 | 22% | 0.219 | 17% | 0.173 | C | C | . | . | trans | -95.3 | -16.5 | -172.8 | 67 | 11.5 | 0 | 0 | 0 | 114.7 | K208 N211 E296 R297 | K208-N213 PolarHBondContact NZ-O 2.78Å; N211-N213 PolarHBondContact O-N 2.68Å; N213-E296 PolarHBondContact ND2-O 2.74Å; N213-E296 VanDerWaalsContact ND2-O 3.15Å; N213-R297 WeakPolarHBondContact CB-O 3.47Å | ||
| 214 | K | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 115 | 177.6 | -72.1 | 173.5 | -89.6 | -65.9 | 0 | 110.4 | W27 E169 G172 D237 F294 | W27-K214 HydrophobicContact CE3-CD 3.59Å; W27-K214 HydrophobicContact CZ3-CD 3.57Å; E169-K214 WeakPolarHBondContact OE2-CE 3.22Å; E169-K214 IonicContact OE2-NZ 3.29Å; E169-K214 PolarHBondContact OE2-NZ 3.08Å; G172-K214 PolarHBondContact N-O 3.18Å; K214-D237 WeakPolarHBondContact CA-OD2 3.39Å; K214-F294 HydrophobicContact CB-CE1 4.46Å; K214-F294 HydrophobicContact CD-CB 3.96Å; K214-F294 HydrophobicContact CD-CD1 4.07Å; K214-F294 HydrophobicContact CD-CD2 3.83Å; K214-F294 HydrophobicContact CD-CE1 4.48Å; K214-F294 HydrophobicContact CD-CE2 4.28Å; K214-F294 HydrophobicContact CD-CG 3.69Å; K214-F294 HydrophobicContact CG-CB 4.48Å; K214-F294 HydrophobicContact CG-CD1 3.78Å; K214-F294 HydrophobicContact CG-CD2 4.33Å; K214-F294 HydrophobicContact CG-CE1 3.94Å; K214-F294 HydrophobicContact CG-CE2 4.49Å; K214-F294 HydrophobicContact CG-CG 3.96Å; K214-F294 HydrophobicContact CG-CZ 4.3Å |
| 215 | I | 98.9 | Very high | 97 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 123 | -171 | -58 | 179.6 | 0 | 0 | 0 | 112 | G172 V174 V204 L207 K208 V212 V236 D237 V238 | G172-I215 CarbonylContact O-C 3.45Å; G172-I215 WeakPolarHBondContact O-CA 3.42Å; V174-I215 HydrophobicContact CG1-CG2 4.32Å; V204-I215 HydrophobicContact CG1-CD1 3.78Å; V204-I215 HydrophobicContact CG1-CG2 4.45Å; V204-I215 HydrophobicContact CG2-CG2 4.24Å; L207-I215 HydrophobicContact CB-CD1 3.73Å; L207-I215 HydrophobicContact CB-CG1 4.46Å; L207-I215 HydrophobicContact CD1-CD1 4.16Å; L207-I215 HydrophobicContact CD1-CG1 4.36Å; L207-I215 HydrophobicContact CD1-CG2 4.17Å; K208-I215 HydrophobicContact CD-CD1 3.89Å; K208-I215 HydrophobicContact CG-CD1 4.1Å; V212-I215 HydrophobicContact CG1-CG1 4.43Å; I215-V236 HydrophobicContact CG2-CG2 4.5Å; I215-D237 PolarHBondContact N-OD2 2.88Å; I215-D237 WeakPolarHBondContact O-CB 3.49Å; I215-D237 PolarHBondContact O-N 3.48Å; I215-V238 PolarHBondContact O-N 3.32Å |
| 216 | I | 98.9 | Very high | 97 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.5 | 173.5 | -57.2 | 171.5 | 0 | 0 | 0 | 108.6 | L29 I31 L79 L81 V171 G172 I173 V174 V238 V240 | L29-I216 HydrophobicContact CD2-CD1 4.2Å; I31-I216 HydrophobicContact CD1-CD1 3.68Å; I31-I216 HydrophobicContact CD1-CG1 4.26Å; I31-I216 HydrophobicContact CG1-CD1 4.28Å; L79-I216 HydrophobicContact CD1-CD1 4.05Å; L81-I216 HydrophobicContact CD1-CD1 4.14Å; L81-I216 HydrophobicContact CD1-CG2 4.18Å; V171-I216 HydrophobicContact CG1-CD1 3.66Å; V171-I216 HydrophobicContact CG1-CG1 3.95Å; G172-I216 PolarHBondContact O-N 3.4Å; I173-I216 CarbonylContact C-O 3.57Å; I173-I216 WeakPolarHBondContact CA-O 3.4Å; I173-I216 HydrophobicContact CG1-CB 4.49Å; V174-I216 PolarHBondContact N-O 3.31Å; I216-V238 HydrophobicContact CG1-CB 4.36Å; I216-V240 HydrophobicContact CG2-CG2 4.09Å |
| 217 | A | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | V174 Y176 I229 V236 V238 V239 V240 | V174-A217 HydrophobicContact CG1-CB 4.09Å; V174-A217 WeakPolarHBondContact O-CA 3.25Å; Y176-A217 HydrophobicContact CD1-CB 4.43Å; Y176-A217 HydrophobicContact CE1-CB 3.96Å; A217-I229 HydrophobicContact CB-CG2 4.04Å; A217-V236 HydrophobicContact CB-CG1 3.87Å; A217-V236 HydrophobicContact CB-CG2 4.23Å; A217-V238 PolarHBondContact N-O 2.81Å; A217-V239 HydrophobicContact CB-CG2 4.27Å; A217-V239 WeakPolarHBondContact O-CA 3.09Å; A217-V240 PolarHBondContact O-N 3.34Å |
| 218 | L | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 123.4 | 180 | 177.9 | 66 | 0 | 0 | 0 | 108.7 | L81 A83 A112 A114 I173 V174 G175 Y176 V240 | L81-L218 HydrophobicContact CB-CD1 3.94Å; L81-L218 HydrophobicContact CB-CD2 4.04Å; L81-L218 HydrophobicContact CD1-CD1 4.45Å; L81-L218 HydrophobicContact CD2-CD2 4.44Å; A83-L218 HydrophobicContact CB-CD1 3.91Å; A112-L218 HydrophobicContact CB-CD2 4.2Å; A114-L218 HydrophobicContact CB-CD2 4.37Å; A114-L218 HydrophobicContact CB-CG 3.91Å; A114-L218 WeakPolarHBondContact CB-O 3.42Å; I173-L218 HydrophobicContact CG2-CB 3.7Å; I173-L218 HydrophobicContact CG2-CD2 4Å; V174-L218 PolarHBondContact O-N 3Å; G175-L218 CarbonylContact C-O 3.56Å; G175-L218 WeakPolarHBondContact CA-O 3.38Å; Y176-L218 WeakPolarHBondContact CD1-O 3.5Å; Y176-L218 VanDerWaalsContact CE1-C 3.4Å; Y176-L218 PolarHBondContact N-O 2.99Å; Y176-L218 VanDerWaalsContact N-O 3.13Å; L218-V240 WeakPolarHBondContact CA-O 3.47Å; L218-V240 HydrophobicContact CD1-CB 3.84Å; L218-V240 HydrophobicContact CD1-CG1 3.68Å |
| 219 | G | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | -175.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y176 V240 G241 G242 | Y176-G219 VanDerWaalsContact CE1-CA 3.44Å; Y176-G219 VanDerWaalsContact CE1-N 3.3Å; Y176-G219 VanDerWaalsContact CE2-C 3.46Å; Y176-G219 CarbonylContact O-C 3.55Å; Y176-G219 WeakPolarHBondContact O-CA 3.35Å; G219-V240 PolarHBondContact N-O 2.94Å; G219-G241 CarbonylContact O-C 3.56Å; G219-G241 VanDerWaalsContact O-CA 3.26Å; G219-G241 WeakPolarHBondContact O-CA 3.18Å; G219-G242 PolarHBondContact O-N 3.32Å; G219-G242 VanDerWaalsContact O-N 3.17Å |
| 220 | H | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 67 | -161.5 | -161.6 | 90.3 | 0 | 0 | 0 | 112.1 | D36 A83 D85 G116 N117 Y176 S178 H243 | D36-H220 IonicContact OD1-CE1 3.76Å; D36-H220 PolarHBondContact OD1-CE1 2.82Å; D36-H220 VanDerWaalsContact OD1-CE1 3.28Å; D36-H220 IonicContact OD1-NE2 2.7Å; D36-H220 IonicContact OD2-CE1 3.83Å; A83-H220 VanDerWaalsContact O-CB 3.31Å; A83-H220 WeakPolarHBondContact O-CB 3.48Å; A83-H220 PolarHBondContact O-ND1 3.04Å; D85-H220 VanDerWaalsContact CB-CE1 3.43Å; D85-H220 WeakPolarHBondContact CB-CE1 3.34Å; D85-H220 IonicContact OD1-CD2 2.99Å; D85-H220 IonicContact OD1-CE1 3.69Å; D85-H220 IonicContact OD1-NE2 2.81Å; D85-H220 PolarHBondContact OD1-NE2 3.05Å; D85-H220 IonicContact OD2-CE1 3.75Å; D85-H220 PolarHBondContact OD2-CE1 2.68Å; D85-H220 VanDerWaalsContact OD2-CE1 3.24Å; D85-H220 IonicContact OD2-NE2 2.73Å; D85-H220 PolarHBondContact OD2-NE2 3.17Å; G116-H220 VanDerWaalsContact CA-CD2 3.49Å; G116-H220 WeakPolarHBondContact CA-CD2 3.43Å; N117-H220 PolarHBondContact OD1-NE2 2.94Å; Y176-H220 PolarHBondContact O-N 3.02Å; S178-H220 WeakPolarHBondContact CA-O 3.37Å; S178-H220 VanDerWaalsContact CB-O 3.23Å; S178-H220 WeakPolarHBondContact CB-O 3.24Å; S178-H220 PolarHBondContact N-O 3.49Å; H220-H243 VanDerWaalsContact CD2-CB 3.49Å; H220-H243 WeakPolarHBondContact CD2-CB 3.2Å; H220-H243 AromaticContact CD2-CG 3.8Å; H220-H243 AromaticContact CD2-ND1 3.57Å; H220-H243 WeakPolarHBondContact CE1-CA 3.44Å; H220-H243 PolarHBondContact CE1-N 2.87Å; H220-H243 VanDerWaalsContact NE2-CA 3.26Å; H220-H243 WeakPolarHBondContact NE2-CA 3.33Å; H220-H243 VanDerWaalsContact NE2-CB 3.28Å; H220-H243 WeakPolarHBondContact NE2-CB 3.46Å; H220-H243 AromaticContact NE2-CG 3.61Å; H220-H243 AromaticContact NE2-ND1 3.2Å; H220-H243 PolarHBondContact NE2-ND1 3.08Å |
| 221 | S | 90 | Very high | 97 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 3% | 0.028 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -129.3 | 7 | -179.4 | -63.7 | 0 | 0 | 0 | 0 | 114.5 | Y176 S178 E196 T225 | Y176-S221 WeakPolarHBondContact CD2-OG 3.3Å; S178-S221 VanDerWaalsContact CA-OG 3.24Å; S178-S221 WeakPolarHBondContact CA-OG 3.2Å; S178-S221 PolarHBondContact N-OG 3.47Å; E196-S221 WeakPolarHBondContact CG-OG 3.15Å; E196-S221 WeakPolarHBondContact OE1-CB 3.46Å; E196-S221 PolarHBondContact OE1-OG 3.21Å; S221-T225 WeakPolarHBondContact O-CB 3.09Å; S221-T225 PolarHBondContact O-OG1 3.13Å |
| 222 | G | 87.8 | Confident | 97.1 | Very high | 6 Ų | 6 | 24 Ų | 24 | 6% | 0.062 | 12% | 0.118 | C | C | . | . | trans | 86.1 | 152.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E224 T225 D226 G242 | G222-E224 PolarHBondContact O-N 2.8Å; G222-E224 VanDerWaalsContact O-N 3.08Å; G222-T225 WeakPolarHBondContact O-CA 3.45Å; G222-T225 WeakPolarHBondContact O-CB 3.31Å; G222-T225 PolarHBondContact O-N 2.89Å; G222-D226 PolarHBondContact O-N 3.1Å; G222-G242 VanDerWaalsContact CA-O 3.27Å; G222-G242 WeakPolarHBondContact CA-O 3.37Å; G222-G242 PolarHBondContact N-O 3.32Å | ||
| 223 | F | 94.7 | Very high | 97.1 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 6% | 0.061 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57 | -31.5 | -170.6 | -177.5 | -122.7 | 0 | 0 | 0 | 114.7 | D226 K227 S244 T246 L248 F265 V277 | F223-D226 WeakPolarHBondContact CA-OD2 3.24Å; F223-K227 HydrophobicContact CD1-CD 4.43Å; F223-K227 HydrophobicContact CE1-CD 3.95Å; F223-K227 HydrophobicContact CE2-CD 4.39Å; F223-K227 HydrophobicContact CE2-CG 4.2Å; F223-K227 HydrophobicContact CZ-CD 3.93Å; F223-K227 HydrophobicContact CZ-CG 4.23Å; F223-K227 WeakPolarHBondContact O-CE 3.44Å; F223-K227 WeakPolarHBondContact O-CG 3.31Å; F223-K227 PolarHBondContact O-N 3.36Å; F223-K227 VanDerWaalsContact O-N 3.08Å; F223-S244 WeakPolarHBondContact CB-OG 3.33Å; F223-S244 PolarHBondContact N-OG 3.09Å; F223-T246 HydrophobicContact CB-CG2 4.24Å; F223-T246 WeakPolarHBondContact CB-OG1 3.45Å; F223-T246 HydrophobicContact CD1-CG2 4.04Å; F223-T246 HydrophobicContact CD2-CG2 4.42Å; F223-T246 HydrophobicContact CE1-CG2 4.49Å; F223-T246 HydrophobicContact CG-CG2 3.98Å; F223-L248 HydrophobicContact CE2-CD1 3.91Å; F223-L248 HydrophobicContact CE2-CD2 4.38Å; F223-L248 HydrophobicContact CZ-CD1 4.34Å; F223-L248 HydrophobicContact CZ-CD2 4.05Å; F223-F265 HydrophobicContact CE2-CB 4.05Å; F223-F265 HydrophobicContact CE2-CD1 4.48Å; F223-F265 HydrophobicContact CE2-CG 4.23Å; F223-F265 HydrophobicContact CZ-CB 3.88Å; F223-F265 HydrophobicContact CZ-CD1 4.01Å; F223-F265 AromaticContact CZ-CD2 3.86Å; F223-F265 HydrophobicContact CZ-CD2 3.86Å; F223-F265 HydrophobicContact CZ-CE2 4.39Å; F223-F265 AromaticContact CZ-CG 3.64Å; F223-F265 HydrophobicContact CZ-CG 3.64Å; F223-V277 HydrophobicContact CD2-CG1 4.03Å; F223-V277 HydrophobicContact CE2-CB 4.43Å; F223-V277 HydrophobicContact CE2-CG1 3.83Å |
| 224 | E | 93.6 | Very high | 97.1 | Very high | 111 Ų | 111 | 28.3 Ų | 28.3 | 52% | 0.519 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 175 | -63.5 | -54.5 | 132 | 0 | 0 | 111.9 | G222 K227 L228 | G222-E224 PolarHBondContact O-N 2.8Å; G222-E224 VanDerWaalsContact O-N 3.08Å; E224-K227 VanDerWaalsContact CD-CE 3.5Å; E224-K227 PolarHBondContact O-N 2.7Å; E224-K227 WeakPolarHBondContact OE1-CE 3.25Å; E224-K227 IonicContact OE1-NZ 2.97Å; E224-K227 PolarHBondContact OE1-NZ 3.06Å; E224-K227 WeakPolarHBondContact OE2-CE 3.29Å; E224-K227 IonicContact OE2-NZ 3.34Å; E224-K227 PolarHBondContact OE2-NZ 2.9Å; E224-L228 WeakPolarHBondContact O-CG 3.4Å; E224-L228 PolarHBondContact O-N 2.77Å |
| 225 | T | 95.4 | Very high | 97.1 | Very high | 33 Ų | 33 | 28.8 Ų | 28.8 | 20% | 0.202 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 175.2 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | E196 S221 G222 K227 L228 I229 | E196-T225 HydrophobicContact CB-CG2 4.46Å; E196-T225 HydrophobicContact CG-CG2 4.31Å; S221-T225 WeakPolarHBondContact O-CB 3.09Å; S221-T225 PolarHBondContact O-OG1 3.13Å; G222-T225 WeakPolarHBondContact O-CA 3.45Å; G222-T225 WeakPolarHBondContact O-CB 3.31Å; G222-T225 PolarHBondContact O-N 2.89Å; T225-K227 VanDerWaalsContact C-N 3.28Å; T225-K227 PolarHBondContact O-N 2.64Å; T225-L228 CarbonylContact O-C 3.56Å; T225-L228 WeakPolarHBondContact O-CA 3.43Å; T225-L228 WeakPolarHBondContact O-CB 3.37Å; T225-L228 PolarHBondContact O-N 2.93Å; T225-I229 HydrophobicContact CG2-CD1 4.05Å; T225-I229 HydrophobicContact CG2-CG1 4.39Å; T225-I229 WeakPolarHBondContact O-CG1 3.46Å; T225-I229 PolarHBondContact O-N 3.03Å |
| 226 | D | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.9 | -41.9 | 176.9 | -56.7 | -15.8 | 0 | 0 | 0 | 111.4 | Y176 G222 F223 I229 A230 V239 G241 V277 Q279 | Y176-D226 PolarHBondContact OH-OD1 3.2Å; G222-D226 PolarHBondContact O-N 3.1Å; F223-D226 WeakPolarHBondContact CA-OD2 3.24Å; D226-I229 PolarHBondContact O-N 2.88Å; D226-A230 WeakPolarHBondContact O-CB 3.19Å; D226-A230 PolarHBondContact O-N 2.91Å; D226-V239 HydrophobicContact CB-CG1 3.81Å; D226-G241 WeakPolarHBondContact OD2-CA 3.35Å; D226-V277 HydrophobicContact CB-CG1 3.71Å; D226-Q279 PolarHBondContact OD2-NE2 2.79Å |
| 227 | K | 98.6 | Very high | 97.1 | Very high | 44 Ų | 44 | 28.8 Ų | 28.8 | 19% | 0.191 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 173.9 | -73.1 | -180 | -60.1 | -177.5 | 0 | 112.2 | F223 E224 T225 A230 Q231 F265 V267 | F223-K227 HydrophobicContact CD1-CD 4.43Å; F223-K227 HydrophobicContact CE1-CD 3.95Å; F223-K227 HydrophobicContact CE2-CD 4.39Å; F223-K227 HydrophobicContact CE2-CG 4.2Å; F223-K227 HydrophobicContact CZ-CD 3.93Å; F223-K227 HydrophobicContact CZ-CG 4.23Å; F223-K227 WeakPolarHBondContact O-CE 3.44Å; F223-K227 WeakPolarHBondContact O-CG 3.31Å; F223-K227 PolarHBondContact O-N 3.36Å; F223-K227 VanDerWaalsContact O-N 3.08Å; E224-K227 VanDerWaalsContact CD-CE 3.5Å; E224-K227 PolarHBondContact O-N 2.7Å; E224-K227 WeakPolarHBondContact OE1-CE 3.25Å; E224-K227 IonicContact OE1-NZ 2.97Å; E224-K227 PolarHBondContact OE1-NZ 3.06Å; E224-K227 WeakPolarHBondContact OE2-CE 3.29Å; E224-K227 IonicContact OE2-NZ 3.34Å; E224-K227 PolarHBondContact OE2-NZ 2.9Å; T225-K227 VanDerWaalsContact C-N 3.28Å; T225-K227 PolarHBondContact O-N 2.64Å; K227-A230 PolarHBondContact O-N 3.02Å; K227-Q231 WeakPolarHBondContact O-CB 3.35Å; K227-Q231 PolarHBondContact O-N 3.48Å; K227-F265 HydrophobicContact CD-CD1 4.12Å; K227-F265 HydrophobicContact CD-CE1 3.66Å; K227-F265 HydrophobicContact CD-CZ 4.16Å; K227-F265 HydrophobicContact CG-CD1 4.22Å; K227-F265 HydrophobicContact CG-CE1 4.13Å; K227-V267 HydrophobicContact CB-CG2 4.1Å; K227-V267 HydrophobicContact CG-CG2 3.92Å |
| 228 | L | 98.3 | Very high | 97.1 | Very high | 73 Ų | 73 | 28.8 Ų | 28.8 | 38% | 0.382 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -67.8 | -37.8 | 177 | -68.2 | 173.7 | 0 | 0 | 0 | 112 | I197 E224 T225 Q231 K232 | I197-L228 HydrophobicContact CD1-CB 3.92Å; E224-L228 WeakPolarHBondContact O-CG 3.4Å; E224-L228 PolarHBondContact O-N 2.77Å; T225-L228 CarbonylContact O-C 3.56Å; T225-L228 WeakPolarHBondContact O-CA 3.43Å; T225-L228 WeakPolarHBondContact O-CB 3.37Å; T225-L228 PolarHBondContact O-N 2.93Å; L228-Q231 PolarHBondContact O-N 2.99Å; L228-K232 WeakPolarHBondContact O-CB 3.25Å; L228-K232 WeakPolarHBondContact O-CG 3.5Å; L228-K232 PolarHBondContact O-N 3.24Å |
| 229 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -51.2 | 173.6 | -71.3 | 166.8 | 0 | 0 | 0 | 109.7 | Y176 E196 I197 L200 A217 T225 D226 Q231 K232 V233 V239 | Y176-I229 HydrophobicContact CD1-CD1 4.09Å; Y176-I229 HydrophobicContact CD2-CD1 3.67Å; Y176-I229 HydrophobicContact CE1-CD1 3.93Å; Y176-I229 HydrophobicContact CE2-CD1 3.48Å; Y176-I229 VanDerWaalsContact CE2-CD1 3.48Å; Y176-I229 HydrophobicContact CG-CD1 3.98Å; E196-I229 HydrophobicContact CB-CD1 4.13Å; I197-I229 HydrophobicContact CG1-CG1 4.08Å; L200-I229 HydrophobicContact CD1-CD1 3.77Å; L200-I229 HydrophobicContact CD1-CG1 3.91Å; L200-I229 HydrophobicContact CD1-CG2 3.8Å; A217-I229 HydrophobicContact CB-CG2 4.04Å; T225-I229 HydrophobicContact CG2-CD1 4.05Å; T225-I229 HydrophobicContact CG2-CG1 4.39Å; T225-I229 WeakPolarHBondContact O-CG1 3.46Å; T225-I229 PolarHBondContact O-N 3.03Å; D226-I229 PolarHBondContact O-N 2.88Å; I229-Q231 PolarHBondContact O-N 3.4Å; I229-K232 PolarHBondContact O-N 3.28Å; I229-V233 HydrophobicContact CB-CG2 4.44Å; I229-V233 HydrophobicContact CG2-CB 4.39Å; I229-V233 HydrophobicContact CG2-CG2 3.99Å; I229-V233 WeakPolarHBondContact O-CB 3.11Å; I229-V233 PolarHBondContact O-N 3.41Å; I229-V239 HydrophobicContact CG2-CG2 4.04Å |
| 230 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.2 | -35.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D226 K227 V239 V267 S269 V275 V277 | D226-A230 WeakPolarHBondContact O-CB 3.19Å; D226-A230 PolarHBondContact O-N 2.91Å; K227-A230 PolarHBondContact O-N 3.02Å; A230-V239 HydrophobicContact CB-CG2 3.67Å; A230-V267 HydrophobicContact CB-CB 3.86Å; A230-V267 HydrophobicContact CB-CG1 4.02Å; A230-V267 HydrophobicContact CB-CG2 4.05Å; A230-S269 WeakPolarHBondContact O-CB 3.08Å; A230-V275 HydrophobicContact CB-CB 4.05Å; A230-V275 HydrophobicContact CB-CG1 3.69Å; A230-V277 HydrophobicContact CB-CG2 3.55Å |
| 231 | Q | 98.8 | Very high | 97.2 | Very high | 73 Ų | 73 | 28.8 Ų | 28.8 | 34% | 0.341 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -73.1 | -48.5 | 179.4 | -174.9 | 179.6 | -7.5 | 0 | 0 | 112.5 | K227 L228 I229 V267 S269 D270 | K227-Q231 WeakPolarHBondContact O-CB 3.35Å; K227-Q231 PolarHBondContact O-N 3.48Å; L228-Q231 PolarHBondContact O-N 2.99Å; I229-Q231 PolarHBondContact O-N 3.4Å; Q231-V267 HydrophobicContact CB-CG1 3.88Å; Q231-S269 WeakPolarHBondContact O-CA 3.49Å; Q231-D270 WeakPolarHBondContact CG-OD1 3.35Å; Q231-D270 PolarHBondContact NE2-OD1 3.48Å; Q231-D270 PolarHBondContact O-N 3.32Å |
| 232 | K | 98.8 | Very high | 97.4 | Very high | 96 Ų | 96 | 28.6 Ų | 28.6 | 42% | 0.417 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -101 | -28.3 | -163.1 | -63 | -166.8 | -179.8 | -178.6 | 0 | 114.7 | I197 L228 I229 R234 | I197-K232 HydrophobicContact CD1-CB 4.22Å; I197-K232 HydrophobicContact CD1-CD 3.87Å; I197-K232 HydrophobicContact CD1-CG 4.41Å; I197-K232 HydrophobicContact CG2-CB 3.98Å; L228-K232 WeakPolarHBondContact O-CB 3.25Å; L228-K232 WeakPolarHBondContact O-CG 3.5Å; L228-K232 PolarHBondContact O-N 3.24Å; I229-K232 PolarHBondContact O-N 3.28Å; K232-R234 PolarHBondContact O-N 3.23Å |
| 233 | V | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -83.4 | 99.4 | -176.5 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | I197 L200 V204 I229 G235 V236 | I197-V233 HydrophobicContact CB-CG2 4.36Å; I197-V233 HydrophobicContact CG1-CG2 4.41Å; I197-V233 HydrophobicContact CG2-CG2 3.93Å; L200-V233 HydrophobicContact CB-CG1 4.15Å; L200-V233 HydrophobicContact CB-CG2 4.15Å; L200-V233 HydrophobicContact CD1-CG2 4.39Å; V204-V233 HydrophobicContact CB-CG1 4.3Å; V204-V233 HydrophobicContact CG2-CG1 3.88Å; I229-V233 HydrophobicContact CB-CG2 4.44Å; I229-V233 HydrophobicContact CG2-CB 4.39Å; I229-V233 HydrophobicContact CG2-CG2 3.99Å; I229-V233 WeakPolarHBondContact O-CB 3.11Å; I229-V233 PolarHBondContact O-N 3.41Å; V233-G235 PolarHBondContact O-N 2.86Å; V233-V236 HydrophobicContact CB-CG2 3.91Å; V233-V236 HydrophobicContact CG1-CG2 3.56Å; V233-V236 PolarHBondContact O-N 2.73Å |
| 234 | R | 98.6 | Very high | 96.9 | Very high | 136 Ų | 136 | 31.5 Ų | 31.5 | 51% | 0.513 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 134.9 | -178.8 | -64.2 | 179.8 | -60.1 | -76.3 | -5.3 | 110.1 | Q201 V204 K232 | Q201-R234 PolarHBondContact NE2-O 3.36Å; Q201-R234 VanDerWaalsContact NE2-O 3.1Å; V204-R234 WeakPolarHBondContact CG1-O 3.43Å; K232-R234 PolarHBondContact O-N 3.23Å |
| 235 | G | 98.3 | Very high | 96.6 | Very high | 12 Ų | 12 | 27.3 Ų | 27.3 | 12% | 0.124 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -8.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | K208 V233 | K208-G235 WeakPolarHBondContact CE-O 3.49Å; K208-G235 PolarHBondContact NZ-O 3.19Å; V233-G235 PolarHBondContact O-N 2.86Å |
| 236 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -72.6 | 131.3 | 167.9 | 171.6 | 0 | 0 | 0 | 0 | 109.3 | V204 I215 A217 V233 V238 V239 R273 | V204-V236 HydrophobicContact CG1-CG2 4.42Å; V204-V236 HydrophobicContact CG2-CG2 3.86Å; I215-V236 HydrophobicContact CG2-CG2 4.5Å; A217-V236 HydrophobicContact CB-CG1 3.87Å; A217-V236 HydrophobicContact CB-CG2 4.23Å; V233-V236 HydrophobicContact CB-CG2 3.91Å; V233-V236 HydrophobicContact CG1-CG2 3.56Å; V233-V236 PolarHBondContact O-N 2.73Å; V236-V238 WeakPolarHBondContact CG1-O 3.49Å; V236-V239 HydrophobicContact CG1-CG2 3.9Å; V236-R273 PolarHBondContact O-NH1 3.03Å; V236-R273 PolarHBondContact O-NH2 2.86Å | ||
| 237 | D | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | trans | -103.3 | -26.3 | -177.5 | -58.1 | -53.7 | 0 | 0 | 0 | 112.3 | K208 K214 I215 R273 P276 F294 V300 | K208-D237 IonicContact NZ-OD2 2.74Å; K214-D237 WeakPolarHBondContact CA-OD2 3.39Å; I215-D237 PolarHBondContact N-OD2 2.88Å; I215-D237 WeakPolarHBondContact O-CB 3.49Å; I215-D237 PolarHBondContact O-N 3.48Å; D237-R273 IonicContact OD1-NH1 3.8Å; D237-R273 PolarHBondContact OD1-NH1 3.37Å; D237-R273 VanDerWaalsContact OD1-NH1 3.08Å; D237-P276 WeakPolarHBondContact O-CD 3.47Å; D237-F294 HydrophobicContact CB-CE1 3.86Å; D237-F294 HydrophobicContact CB-CZ 4.33Å; D237-V300 HydrophobicContact CB-CG2 3.99Å | ||
| 238 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 142.3 | -178.6 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | I31 I215 I216 A217 V236 V240 P276 L290 I292 F294 | I31-V238 HydrophobicContact CD1-CG1 4.04Å; I31-V238 HydrophobicContact CD1-CG2 4.38Å; I215-V238 PolarHBondContact O-N 3.32Å; I216-V238 HydrophobicContact CG1-CB 4.36Å; A217-V238 PolarHBondContact N-O 2.81Å; V236-V238 WeakPolarHBondContact CG1-O 3.49Å; V238-V240 HydrophobicContact CG1-CG2 4.17Å; V238-P276 HydrophobicContact CG1-CG 4.22Å; V238-P276 HydrophobicContact CG2-CG 4.24Å; V238-L290 HydrophobicContact CG1-CD2 4.07Å; V238-I292 HydrophobicContact CB-CD1 4.23Å; V238-I292 HydrophobicContact CG1-CD1 3.97Å; V238-I292 HydrophobicContact CG2-CD1 3.21Å; V238-F294 HydrophobicContact CG2-CZ 4.37Å |
| 239 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.9 | 168.2 | -173.1 | 0 | 0 | 0 | 0 | 110 | Y176 A217 D226 I229 A230 V236 V275 P276 V277 V278 | Y176-V239 VanDerWaalsContact OH-CG1 3.31Å; Y176-V239 WeakPolarHBondContact OH-CG1 3.41Å; A217-V239 HydrophobicContact CB-CG2 4.27Å; A217-V239 WeakPolarHBondContact O-CA 3.09Å; D226-V239 HydrophobicContact CB-CG1 3.81Å; I229-V239 HydrophobicContact CG2-CG2 4.04Å; A230-V239 HydrophobicContact CB-CG2 3.67Å; V236-V239 HydrophobicContact CG1-CG2 3.9Å; V239-V275 HydrophobicContact CG2-CG1 4.31Å; V239-P276 PolarHBondContact N-O 3.16Å; V239-V277 HydrophobicContact CB-CG1 4.34Å; V239-V277 HydrophobicContact CB-CG2 4.19Å; V239-V277 HydrophobicContact CG2-CG2 4.5Å; V239-V277 WeakPolarHBondContact O-CA 3.06Å; V239-V278 PolarHBondContact O-N 2.82Å |
| 240 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.5 | 173 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | I31 H33 I216 A217 L218 G219 V238 V278 | I31-V240 HydrophobicContact CG2-CG2 4.14Å; H33-V240 HydrophobicContact CB-CG1 3.6Å; I216-V240 HydrophobicContact CG2-CG2 4.09Å; A217-V240 PolarHBondContact O-N 3.34Å; L218-V240 WeakPolarHBondContact CA-O 3.47Å; L218-V240 HydrophobicContact CD1-CB 3.84Å; L218-V240 HydrophobicContact CD1-CG1 3.68Å; G219-V240 PolarHBondContact N-O 2.94Å; V238-V240 HydrophobicContact CG1-CG2 4.17Å; V240-V278 HydrophobicContact CB-CG2 4.17Å; V240-V278 HydrophobicContact CG1-CG2 4.29Å; V240-V278 HydrophobicContact CG2-CG2 3.67Å |
| 241 | G | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -118.1 | 176.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N35 A83 G219 D226 V278 Q279 | N35-G241 WeakPolarHBondContact CB-O 3.31Å; A83-G241 VanDerWaalsContact CB-C 3.48Å; A83-G241 WeakPolarHBondContact CB-O 3.45Å; G219-G241 CarbonylContact O-C 3.56Å; G219-G241 VanDerWaalsContact O-CA 3.26Å; G219-G241 WeakPolarHBondContact O-CA 3.18Å; D226-G241 WeakPolarHBondContact OD2-CA 3.35Å; G241-V278 PolarHBondContact N-O 2.82Å; G241-Q279 WeakPolarHBondContact O-CG 3.2Å | ||
| 242 | G | 95.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -151.8 | -154.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D36 G219 G222 S244 Q279 | D36-G242 WeakPolarHBondContact OD2-CA 3.13Å; G219-G242 PolarHBondContact O-N 3.32Å; G219-G242 VanDerWaalsContact O-N 3.17Å; G222-G242 VanDerWaalsContact CA-O 3.27Å; G222-G242 WeakPolarHBondContact CA-O 3.37Å; G222-G242 PolarHBondContact N-O 3.32Å; G242-S244 VanDerWaalsContact C-N 3.28Å; G242-S244 PolarHBondContact O-N 3.22Å; G242-Q279 PolarHBondContact O-NE2 2.98Å | ||
| 243 | H | 90.4 | Very high | 96.2 | Very high | 45 Ų | 45 | 30.9 Ų | 30.9 | 21% | 0.208 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 80.1 | -49.7 | 174 | -168.5 | 56.3 | 0 | 0 | 0 | 115.6 | D36 N117 H220 N245 | D36-H243 VanDerWaalsContact OD1-CA 3.3Å; D36-H243 WeakPolarHBondContact OD1-CA 3.47Å; D36-H243 PolarHBondContact OD1-N 3.48Å; D36-H243 PolarHBondContact OD2-N 3.33Å; N117-H243 PolarHBondContact OD1-CE1 2.86Å; N117-H243 PolarHBondContact OD1-ND1 3.12Å; H220-H243 VanDerWaalsContact CD2-CB 3.49Å; H220-H243 WeakPolarHBondContact CD2-CB 3.2Å; H220-H243 AromaticContact CD2-CG 3.8Å; H220-H243 AromaticContact CD2-ND1 3.57Å; H220-H243 WeakPolarHBondContact CE1-CA 3.44Å; H220-H243 PolarHBondContact CE1-N 2.87Å; H220-H243 VanDerWaalsContact NE2-CA 3.26Å; H220-H243 WeakPolarHBondContact NE2-CA 3.33Å; H220-H243 VanDerWaalsContact NE2-CB 3.28Å; H220-H243 WeakPolarHBondContact NE2-CB 3.46Å; H220-H243 AromaticContact NE2-CG 3.61Å; H220-H243 AromaticContact NE2-ND1 3.2Å; H220-H243 PolarHBondContact NE2-ND1 3.08Å; H243-N245 VanDerWaalsContact C-N 3.28Å; H243-N245 PolarHBondContact O-N 3.39Å |
| 244 | S | 82.3 | Confident | 96.2 | Very high | 36 Ų | 36 | 33.5 Ų | 33.5 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -88.1 | 6.6 | -175.1 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | F223 G242 T246 Q279 | F223-S244 WeakPolarHBondContact CB-OG 3.33Å; F223-S244 PolarHBondContact N-OG 3.09Å; G242-S244 VanDerWaalsContact C-N 3.28Å; G242-S244 PolarHBondContact O-N 3.22Å; S244-T246 WeakPolarHBondContact CB-OG1 3.35Å; S244-T246 PolarHBondContact O-N 3.16Å; S244-T246 VanDerWaalsContact O-N 3.08Å; S244-T246 PolarHBondContact O-OG1 3.33Å; S244-T246 PolarHBondContact OG-OG1 3.16Å; S244-Q279 PolarHBondContact OG-NE2 3.36Å; S244-Q279 PolarHBondContact OG-OE1 3.39Å |
| 245 | N | 86.3 | Confident | 96.1 | Very high | 22 Ų | 22 | 28.1 Ų | 28.1 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | trans | 48.5 | 34.7 | -176.4 | -63.3 | -11 | 0 | 0 | 0 | 113.6 | D36 H243 F247 Y281 A282 | D36-N245 WeakPolarHBondContact CB-OD1 3.32Å; D36-N245 PolarHBondContact OD1-OD1 2.91Å; H243-N245 VanDerWaalsContact C-N 3.28Å; H243-N245 PolarHBondContact O-N 3.39Å; N245-F247 PolarHBondContact O-N 2.77Å; N245-Y281 CarbonylContact C-O 2.86Å; N245-Y281 VanDerWaalsContact CA-O 3.24Å; N245-Y281 WeakPolarHBondContact CA-O 3.5Å; N245-Y281 WeakPolarHBondContact O-CD2 3.27Å; N245-A282 HydrophobicContact CB-CB 4.04Å | ||
| 246 | T | 91.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | trans | -74.9 | 123.3 | -167.9 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | F223 S244 L248 A260 Q279 Y281 | F223-T246 HydrophobicContact CB-CG2 4.24Å; F223-T246 WeakPolarHBondContact CB-OG1 3.45Å; F223-T246 HydrophobicContact CD1-CG2 4.04Å; F223-T246 HydrophobicContact CD2-CG2 4.42Å; F223-T246 HydrophobicContact CE1-CG2 4.49Å; F223-T246 HydrophobicContact CG-CG2 3.98Å; S244-T246 WeakPolarHBondContact CB-OG1 3.35Å; S244-T246 PolarHBondContact O-N 3.16Å; S244-T246 VanDerWaalsContact O-N 3.08Å; S244-T246 PolarHBondContact O-OG1 3.33Å; S244-T246 PolarHBondContact OG-OG1 3.16Å; T246-L248 HydrophobicContact CG2-CD2 4.03Å; T246-L248 HydrophobicContact CG2-CG 4.16Å; T246-A260 HydrophobicContact CG2-CB 3.77Å; T246-Q279 VanDerWaalsContact O-CB 3.31Å; T246-Q279 WeakPolarHBondContact O-CB 3.35Å; T246-Q279 PolarHBondContact OG1-OE1 3.32Å; T246-Y281 PolarHBondContact O-N 3.35Å | ||
| 247 | F | 97.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -92 | 119.7 | 171.5 | -176.3 | -123.4 | 0 | 0 | 0 | 109.8 | N245 Y249 P253 E257 P259 A260 Y281 Y286 P307 | N245-F247 PolarHBondContact O-N 2.77Å; F247-Y249 HydrophobicContact CE1-CD2 4.39Å; F247-Y249 HydrophobicContact CE1-CG 4.44Å; F247-Y249 AromaticContact CE2-CD2 3.91Å; F247-Y249 HydrophobicContact CE2-CD2 3.91Å; F247-Y249 AromaticContact CZ-CD2 3.48Å; F247-Y249 HydrophobicContact CZ-CD2 3.48Å; F247-Y249 VanDerWaalsContact CZ-CD2 3.48Å; F247-Y249 HydrophobicContact CZ-CE2 4.33Å; F247-Y249 AromaticContact CZ-CG 3.94Å; F247-Y249 HydrophobicContact CZ-CG 3.94Å; F247-P253 HydrophobicContact CE1-CB 3.83Å; F247-P253 HydrophobicContact CZ-CB 4.28Å; F247-E257 HydrophobicContact CB-CB 4.18Å; F247-E257 HydrophobicContact CD1-CB 3.42Å; F247-E257 VanDerWaalsContact CD1-CB 3.42Å; F247-E257 HydrophobicContact CD2-CB 4.46Å; F247-E257 HydrophobicContact CE1-CB 3.82Å; F247-E257 VanDerWaalsContact CE1-O 3.31Å; F247-E257 WeakPolarHBondContact CE1-O 3.45Å; F247-E257 HydrophobicContact CG-CB 3.78Å; F247-E257 HydrophobicContact CZ-CB 4.49Å; F247-P259 HydrophobicContact CD1-CB 4.3Å; F247-P259 HydrophobicContact CD1-CG 4.02Å; F247-P259 HydrophobicContact CE1-CB 4.49Å; F247-P259 HydrophobicContact CE1-CG 3.8Å; F247-P259 CarbonylContact O-C 3.56Å; F247-P259 WeakPolarHBondContact O-CA 3.45Å; F247-A260 PolarHBondContact O-N 3.33Å; F247-Y281 HydrophobicContact CB-CD2 4.09Å; F247-Y281 HydrophobicContact CB-CG 4.43Å; F247-Y286 HydrophobicContact CD2-CE2 4.42Å; F247-Y286 HydrophobicContact CE2-CD1 4.16Å; F247-Y286 HydrophobicContact CE2-CD2 4.42Å; F247-Y286 AromaticContact CE2-CE1 3.78Å; F247-Y286 HydrophobicContact CE2-CE1 3.78Å; F247-Y286 HydrophobicContact CE2-CE2 4.08Å; F247-Y286 HydrophobicContact CE2-CG 4.46Å; F247-Y286 AromaticContact CE2-CZ 3.75Å; F247-Y286 HydrophobicContact CZ-CE1 4.13Å; F247-P307 HydrophobicContact CE2-CB 4.45Å; F247-P307 HydrophobicContact CE2-CG 4.37Å |
| 248 | L | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -114.3 | 139.1 | 173.1 | -63.3 | 176.5 | 0 | 0 | 0 | 108.8 | F223 T246 A260 G261 Y263 F265 P307 | F223-L248 HydrophobicContact CE2-CD1 3.91Å; F223-L248 HydrophobicContact CE2-CD2 4.38Å; F223-L248 HydrophobicContact CZ-CD1 4.34Å; F223-L248 HydrophobicContact CZ-CD2 4.05Å; T246-L248 HydrophobicContact CG2-CD2 4.03Å; T246-L248 HydrophobicContact CG2-CG 4.16Å; L248-A260 HydrophobicContact CD2-CB 4.43Å; L248-G261 WeakPolarHBondContact CA-O 3.44Å; L248-Y263 HydrophobicContact CB-CD2 3.97Å; L248-Y263 HydrophobicContact CB-CG 4.44Å; L248-F265 HydrophobicContact CD1-CB 4.02Å; L248-P307 WeakPolarHBondContact O-CD 3.24Å; L248-P307 WeakPolarHBondContact O-CG 3.24Å |
| 249 | Y | 98.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | trans | -154.2 | 140.6 | 179.5 | -150.6 | -92.4 | 0 | 0 | 0 | 111.6 | F247 N252 P254 G261 N306 P307 | F247-Y249 HydrophobicContact CE1-CD2 4.39Å; F247-Y249 HydrophobicContact CE1-CG 4.44Å; F247-Y249 AromaticContact CE2-CD2 3.91Å; F247-Y249 HydrophobicContact CE2-CD2 3.91Å; F247-Y249 AromaticContact CZ-CD2 3.48Å; F247-Y249 HydrophobicContact CZ-CD2 3.48Å; F247-Y249 VanDerWaalsContact CZ-CD2 3.48Å; F247-Y249 HydrophobicContact CZ-CE2 4.33Å; F247-Y249 AromaticContact CZ-CG 3.94Å; F247-Y249 HydrophobicContact CZ-CG 3.94Å; Y249-N252 WeakPolarHBondContact CE1-O 3.49Å; Y249-P254 HydrophobicContact CE2-CG 4.04Å; Y249-G261 PolarHBondContact N-O 2.62Å; Y249-N306 HydrophobicContact CD2-CB 4.46Å; Y249-N306 HydrophobicContact CE2-CB 3.95Å; Y249-P307 WeakPolarHBondContact CE2-O 3.49Å | ||
| 250 | T | 98.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -107 | 114.5 | 172.3 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | Y263 N306 | T250-Y263 PolarHBondContact OG1-N 3.24Å; T250-Y263 PolarHBondContact OG1-O 3.29Å; T250-N306 PolarHBondContact N-OD1 2.98Å; T250-N306 PolarHBondContact O-ND2 2.94Å |
| 251 | G | 98.1 | Very high | 94.4 | Very high | 60 Ų | 60 | 47.7 Ų | 47.7 | 62% | 0.619 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 103.3 | -153.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 252 | N | 97.9 | Very high | 94.4 | Very high | 151 Ų | 151 | 54.9 Ų | 54.9 | 81% | 0.807 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -81.3 | 121.2 | -179.6 | -65.6 | -27.6 | 0 | 0 | 0 | 110.3 | Y249 | Y249-N252 WeakPolarHBondContact CE1-O 3.49Š|
| 253 | P | 97.6 | Very high | 94.6 | Very high | 53 Ų | 53 | 55 Ų | 55 | 34% | 0.344 | 32% | 0.324 | S | S | . | . | trans | -65.7 | 144.1 | 180 | 28.1 | -35.2 | 0 | 0 | 0 | 111.5 | F247 P259 | F247-P253 HydrophobicContact CE1-CB 3.83Å; F247-P253 HydrophobicContact CZ-CB 4.28Å; P253-P259 HydrophobicContact CB-CG 3.99Å; P253-P259 HydrophobicContact CG-CG 4.17Å | ||
| 254 | P | 97.7 | Very high | 95 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -89.4 | -1.6 | -170.3 | 36 | -38.3 | 0 | 0 | 0 | 114.6 | Y249 Y286 L309 | Y249-P254 HydrophobicContact CE2-CG 4.04Å; P254-Y286 HydrophobicContact CG-CE1 3.84Å; P254-L309 HydrophobicContact CB-CB 4.27Å; P254-L309 HydrophobicContact CB-CD2 4.03Å; P254-L309 HydrophobicContact CG-CB 3.9Å; P254-L309 HydrophobicContact CG-CD2 4.29Å |
| 255 | S | 96.7 | Very high | 95.8 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -149 | -159.1 | 176.3 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | E46 E257 K285 Y286 | E46-S255 PolarHBondContact OE1-OG 2.75Å; E46-S255 VanDerWaalsContact OE1-OG 3.06Å; S255-E257 WeakPolarHBondContact CB-OE2 3.18Å; S255-K285 PolarHBondContact OG-NZ 2.65Å; S255-Y286 WeakPolarHBondContact CB-OH 3.27Å |
| 256 | K | 91.4 | Very high | 96.4 | Very high | 149 Ų | 149 | 57.5 Ų | 57.5 | 65% | 0.648 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -76.4 | -19.6 | -170.3 | -72 | 176.7 | 171.2 | 159.1 | 0 | 114.7 | E46 V258 | E46-K256 HydrophobicContact CG-CD 4.28Å; E46-K256 WeakPolarHBondContact OE2-CD 3.33Å; E46-K256 WeakPolarHBondContact OE2-CE 3.12Å; E46-K256 IonicContact OE2-NZ 2.91Å; E46-K256 PolarHBondContact OE2-NZ 2.63Å; K256-V258 PolarHBondContact O-N 2.56Å |
| 257 | E | 91.2 | Very high | 96.7 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 129.5 | -178.6 | -68.4 | 68.6 | -152.5 | 0 | 0 | 110.7 | F247 S255 Y281 K285 Y286 | F247-E257 HydrophobicContact CB-CB 4.18Å; F247-E257 HydrophobicContact CD1-CB 3.42Å; F247-E257 VanDerWaalsContact CD1-CB 3.42Å; F247-E257 HydrophobicContact CD2-CB 4.46Å; F247-E257 HydrophobicContact CE1-CB 3.82Å; F247-E257 VanDerWaalsContact CE1-O 3.31Å; F247-E257 WeakPolarHBondContact CE1-O 3.45Å; F247-E257 HydrophobicContact CG-CB 3.78Å; F247-E257 HydrophobicContact CZ-CB 4.49Å; S255-E257 WeakPolarHBondContact CB-OE2 3.18Å; E257-Y281 HydrophobicContact CG-CD1 4.02Å; E257-Y281 HydrophobicContact CG-CD2 3.82Å; E257-Y281 HydrophobicContact CG-CE1 3.79Å; E257-Y281 HydrophobicContact CG-CE2 3.59Å; E257-Y281 HydrophobicContact CG-CG 4.02Å; E257-K285 IonicContact OE1-NZ 3.45Å; E257-K285 PolarHBondContact OE1-NZ 2.8Å; E257-K285 WeakPolarHBondContact OE2-CE 3.46Å; E257-K285 IonicContact OE2-NZ 2.74Å; E257-K285 PolarHBondContact OE2-NZ 3.22Å; E257-Y286 HydrophobicContact CG-CE2 4.5Å; E257-Y286 PolarHBondContact OE2-OH 2.94Å; E257-Y286 VanDerWaalsContact OE2-OH 3.08Å |
| 258 | V | 91.9 | Very high | 96.8 | Very high | 126 Ų | 126 | 60.4 Ų | 60.4 | 76% | 0.764 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -88.6 | 122.9 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | K256 A260 | K256-V258 PolarHBondContact O-N 2.56Å; V258-A260 PolarHBondContact O-N 3.41Å |
| 259 | P | 95.7 | Very high | 96.8 | Very high | 40 Ų | 40 | 60.7 Ų | 60.7 | 26% | 0.26 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 131.1 | 179.5 | -21.6 | 32.2 | 0 | 0 | 0 | 112 | F247 P253 | F247-P259 HydrophobicContact CD1-CB 4.3Å; F247-P259 HydrophobicContact CD1-CG 4.02Å; F247-P259 HydrophobicContact CE1-CB 4.49Å; F247-P259 HydrophobicContact CE1-CG 3.8Å; F247-P259 CarbonylContact O-C 3.56Å; F247-P259 WeakPolarHBondContact O-CA 3.45Å; P253-P259 HydrophobicContact CB-CG 3.99Å; P253-P259 HydrophobicContact CG-CG 4.17Å |
| 260 | A | 91 | Very high | 96.7 | Very high | 73 Ų | 73 | 64 Ų | 64 | 60% | 0.603 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -75.5 | -15.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T246 F247 L248 V258 | T246-A260 HydrophobicContact CG2-CB 3.77Å; F247-A260 PolarHBondContact O-N 3.33Å; L248-A260 HydrophobicContact CD2-CB 4.43Å; V258-A260 PolarHBondContact O-N 3.41Å |
| 261 | G | 96.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 64.4 Ų | 64.4 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -179.6 | -178 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | L248 Y249 | L248-G261 WeakPolarHBondContact CA-O 3.44Å; Y249-G261 PolarHBondContact N-O 2.62Å |
| 262 | K | 98.6 | Very high | 96.6 | Very high | 151 Ų | 151 | 64.2 Ų | 64.2 | 66% | 0.657 | 37% | 0.371 | S | S | * | . | trans | -69.4 | 153.3 | 175.6 | -67.2 | -175.4 | -179.9 | -178.8 | 0 | 111.1 | P264 F265 | K262-P264 CarbonylContact C-O 3.58Å; K262-P264 CarbonylContact O-C 3.59Å; K262-F265 WeakPolarHBondContact O-CA 3.37Å; K262-F265 PolarHBondContact O-N 3.05Å; K262-F265 VanDerWaalsContact O-N 3.11Å | ||
| 263 | Y | 98.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -109.6 | 126.5 | 168.7 | -173.2 | -75.5 | 0 | 0 | 0 | 110.3 | H33 L248 T250 V278 Y289 L290 G305 P307 | H33-Y263 AromaticContact NE2-CE2 3.79Å; H33-Y263 AromaticContact NE2-CZ 3.71Å; H33-Y263 PolarHBondContact NE2-OH 3.49Å; L248-Y263 HydrophobicContact CB-CD2 3.97Å; L248-Y263 HydrophobicContact CB-CG 4.44Å; T250-Y263 PolarHBondContact OG1-N 3.24Å; T250-Y263 PolarHBondContact OG1-O 3.29Å; Y263-V278 HydrophobicContact CD1-CG1 4.43Å; Y263-V278 HydrophobicContact CD2-CB 4.34Å; Y263-V278 HydrophobicContact CD2-CG1 4.02Å; Y263-V278 HydrophobicContact CE1-CG1 3.98Å; Y263-V278 HydrophobicContact CE2-CB 3.65Å; Y263-V278 HydrophobicContact CE2-CG1 3.54Å; Y263-V278 HydrophobicContact CG-CG1 4.46Å; Y263-Y289 WeakPolarHBondContact CE1-O 3.48Å; Y263-Y289 VanDerWaalsContact OH-C 3.26Å; Y263-Y289 PolarHBondContact OH-N 3.26Å; Y263-Y289 PolarHBondContact OH-O 3.23Å; Y263-L290 HydrophobicContact CE1-CB 4.1Å; Y263-L290 HydrophobicContact CE1-CD1 3.89Å; Y263-G305 VanDerWaalsContact CD1-C 3.44Å; Y263-G305 WeakPolarHBondContact CD1-O 3.33Å; Y263-P307 HydrophobicContact CD2-CG 3.71Å; Y263-P307 HydrophobicContact CE2-CG 3.82Å; Y263-P307 HydrophobicContact CG-CG 4.41Å |
| 264 | P | 98.8 | Very high | 96.6 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 8% | 0.078 | 35% | 0.351 | C | S | . | . | S | Bend | cis | -65.9 | 157.8 | -16.5 | 30.7 | -35.6 | 0 | 0 | 0 | 111.5 | K262 I266 P276 V278 L290 S303 | K262-P264 CarbonylContact C-O 3.58Å; K262-P264 CarbonylContact O-C 3.59Å; P264-I266 HydrophobicContact CB-CD1 4.38Å; P264-I266 HydrophobicContact CG-CD1 3.85Å; P264-P276 HydrophobicContact CB-CB 3.53Å; P264-P276 HydrophobicContact CG-CB 3.85Å; P264-V278 HydrophobicContact CB-CG1 3.66Å; P264-L290 HydrophobicContact CB-CD1 3.99Å; P264-L290 HydrophobicContact CG-CD1 3.83Å; P264-S303 WeakPolarHBondContact CG-OG 3.34Å |
| 265 | F | 98.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 60.1 Ų | 60.1 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 120.4 | 169.4 | -173.9 | -85.7 | 0 | 0 | 0 | 108.6 | F223 K227 L248 K262 V267 V277 | F223-F265 HydrophobicContact CE2-CB 4.05Å; F223-F265 HydrophobicContact CE2-CD1 4.48Å; F223-F265 HydrophobicContact CE2-CG 4.23Å; F223-F265 HydrophobicContact CZ-CB 3.88Å; F223-F265 HydrophobicContact CZ-CD1 4.01Å; F223-F265 AromaticContact CZ-CD2 3.86Å; F223-F265 HydrophobicContact CZ-CD2 3.86Å; F223-F265 HydrophobicContact CZ-CE2 4.39Å; F223-F265 AromaticContact CZ-CG 3.64Å; F223-F265 HydrophobicContact CZ-CG 3.64Å; K227-F265 HydrophobicContact CD-CD1 4.12Å; K227-F265 HydrophobicContact CD-CE1 3.66Å; K227-F265 HydrophobicContact CD-CZ 4.16Å; K227-F265 HydrophobicContact CG-CD1 4.22Å; K227-F265 HydrophobicContact CG-CE1 4.13Å; L248-F265 HydrophobicContact CD1-CB 4.02Å; K262-F265 WeakPolarHBondContact O-CA 3.37Å; K262-F265 PolarHBondContact O-N 3.05Å; K262-F265 VanDerWaalsContact O-N 3.11Å; F265-V267 HydrophobicContact CD1-CG2 3.92Å; F265-V267 HydrophobicContact CE1-CG2 3.99Å; F265-V277 HydrophobicContact CB-CB 4.45Å; F265-V277 PolarHBondContact N-O 3.25Å; F265-V277 PolarHBondContact O-N 2.95Å |
| 266 | I | 98.7 | Very high | 96.7 | Very high | 76 Ų | 76 | 59.1 Ų | 59.1 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.5 | -174.4 | -56.7 | -57.5 | 0 | 0 | 0 | 110.4 | P264 K274 P276 | P264-I266 HydrophobicContact CB-CD1 4.38Å; P264-I266 HydrophobicContact CG-CD1 3.85Å; I266-K274 HydrophobicContact CG2-CB 3.82Å; I266-K274 HydrophobicContact CG2-CD 3.78Å; I266-K274 HydrophobicContact CG2-CG 4.24Å; I266-P276 HydrophobicContact CD1-CB 4.16Å |
| 267 | V | 98.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 52 Ų | 52 | 9% | 0.085 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 138.6 | 169.6 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | K227 A230 Q231 F265 K274 V275 V277 | K227-V267 HydrophobicContact CB-CG2 4.1Å; K227-V267 HydrophobicContact CG-CG2 3.92Å; A230-V267 HydrophobicContact CB-CB 3.86Å; A230-V267 HydrophobicContact CB-CG1 4.02Å; A230-V267 HydrophobicContact CB-CG2 4.05Å; Q231-V267 HydrophobicContact CB-CG1 3.88Å; F265-V267 HydrophobicContact CD1-CG2 3.92Å; F265-V267 HydrophobicContact CE1-CG2 3.99Å; V267-K274 WeakPolarHBondContact O-CA 3.34Å; V267-V275 PolarHBondContact N-O 3.4Å; V267-V275 PolarHBondContact O-N 3.07Å; V267-V277 HydrophobicContact CB-CG2 4.42Å; V267-V277 HydrophobicContact CG2-CG2 3.67Å |
| 268 | T | 98.7 | Very high | 97.5 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 44% | 0.436 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 115.7 | 167.1 | -52 | 0 | 0 | 0 | 0 | 107.4 | R273 K274 | T268-R273 WeakPolarHBondContact CA-O 3.37Å; T268-K274 PolarHBondContact OG1-NZ 3.05Å |
| 269 | S | 98.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | trans | -75 | 161.1 | -179.6 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | A230 Q231 D271 G272 R273 | A230-S269 WeakPolarHBondContact O-CB 3.08Å; Q231-S269 WeakPolarHBondContact O-CA 3.49Å; S269-D271 VanDerWaalsContact CB-OD1 3.23Å; S269-D271 WeakPolarHBondContact CB-OD1 3.43Å; S269-D271 PolarHBondContact O-N 2.93Å; S269-D271 PolarHBondContact OG-OD1 3.49Å; S269-G272 WeakPolarHBondContact O-CA 3.37Å; S269-G272 PolarHBondContact O-N 3.29Å; S269-R273 PolarHBondContact N-O 3.22Å; S269-R273 WeakPolarHBondContact OG-CA 3.15Å; S269-R273 WeakPolarHBondContact OG-CB 3.36Å; S269-R273 PolarHBondContact OG-N 2.51Å; S269-R273 VanDerWaalsContact OG-N 3.09Å; S269-R273 PolarHBondContact OG-O 3Å; S269-R273 VanDerWaalsContact OG-O 3.14Å | ||
| 270 | D | 98.1 | Very high | 97.9 | Very high | 113 Ų | 113 | 43.5 Ų | 43.5 | 60% | 0.604 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22 | 179.9 | -69.7 | -13.7 | 0 | 0 | 0 | 112 | Q231 G272 | Q231-D270 WeakPolarHBondContact CG-OD1 3.35Å; Q231-D270 PolarHBondContact NE2-OD1 3.48Å; Q231-D270 PolarHBondContact O-N 3.32Å; D270-G272 VanDerWaalsContact C-N 3.31Å |
| 271 | D | 95.5 | Very high | 98.2 | Very high | 71 Ų | 71 | 40.8 Ų | 40.8 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 6.8 | 171.9 | 68.2 | -0.1 | 0 | 0 | 0 | 113.9 | S269 R273 | S269-D271 VanDerWaalsContact CB-OD1 3.23Å; S269-D271 WeakPolarHBondContact CB-OD1 3.43Å; S269-D271 PolarHBondContact O-N 2.93Å; S269-D271 PolarHBondContact OG-OD1 3.49Å; D271-R273 IonicContact OD1-CZ 3.71Å; D271-R273 PolarHBondContact OD1-N 3.2Å; D271-R273 IonicContact OD1-NE 3.39Å; D271-R273 PolarHBondContact OD1-NE 2.59Å; D271-R273 IonicContact OD1-NH2 3.14Å; D271-R273 IonicContact OD2-CZ 2.77Å; D271-R273 IonicContact OD2-NE 3.52Å; D271-R273 PolarHBondContact OD2-NE 3.21Å; D271-R273 IonicContact OD2-NH2 3.69Å; D271-R273 PolarHBondContact OD2-NH2 2.75Å |
| 272 | G | 97.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 57% | 0.567 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 85.3 | 3.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116 | S269 D270 | S269-G272 WeakPolarHBondContact O-CA 3.37Å; S269-G272 PolarHBondContact O-N 3.29Å; D270-G272 VanDerWaalsContact C-N 3.31Å |
| 273 | R | 97.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 33.6 Ų | 33.6 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | trans | -80.5 | 164.7 | 177.4 | -61.1 | -179.5 | -65.1 | 110.2 | 16 | 111.8 | V236 D237 T268 S269 D271 | V236-R273 PolarHBondContact O-NH1 3.03Å; V236-R273 PolarHBondContact O-NH2 2.86Å; D237-R273 IonicContact OD1-NH1 3.8Å; D237-R273 PolarHBondContact OD1-NH1 3.37Å; D237-R273 VanDerWaalsContact OD1-NH1 3.08Å; T268-R273 WeakPolarHBondContact CA-O 3.37Å; S269-R273 PolarHBondContact N-O 3.22Å; S269-R273 WeakPolarHBondContact OG-CA 3.15Å; S269-R273 WeakPolarHBondContact OG-CB 3.36Å; S269-R273 PolarHBondContact OG-N 2.51Å; S269-R273 VanDerWaalsContact OG-N 3.09Å; S269-R273 PolarHBondContact OG-O 3Å; S269-R273 VanDerWaalsContact OG-O 3.14Å; D271-R273 IonicContact OD1-CZ 3.71Å; D271-R273 PolarHBondContact OD1-N 3.2Å; D271-R273 IonicContact OD1-NE 3.39Å; D271-R273 PolarHBondContact OD1-NE 2.59Å; D271-R273 IonicContact OD1-NH2 3.14Å; D271-R273 IonicContact OD2-CZ 2.77Å; D271-R273 IonicContact OD2-NE 3.52Å; D271-R273 PolarHBondContact OD2-NE 3.21Å; D271-R273 IonicContact OD2-NH2 3.69Å; D271-R273 PolarHBondContact OD2-NH2 2.75Å | ||
| 274 | K | 98.4 | Very high | 97.7 | Very high | 124 Ų | 124 | 33.8 Ų | 33.8 | 54% | 0.539 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 108.9 | 172.7 | -62.3 | -61 | -179.8 | 179.9 | 0 | 108.3 | I266 V267 T268 | I266-K274 HydrophobicContact CG2-CB 3.82Å; I266-K274 HydrophobicContact CG2-CD 3.78Å; I266-K274 HydrophobicContact CG2-CG 4.24Å; V267-K274 WeakPolarHBondContact O-CA 3.34Å; T268-K274 PolarHBondContact OG1-NZ 3.05Å |
| 275 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114 | -176.1 | -178.4 | 0 | 0 | 0 | 0 | 109 | A230 V239 V267 | A230-V275 HydrophobicContact CB-CB 4.05Å; A230-V275 HydrophobicContact CB-CG1 3.69Å; V239-V275 HydrophobicContact CG2-CG1 4.31Å; V267-V275 PolarHBondContact N-O 3.4Å; V267-V275 PolarHBondContact O-N 3.07Å |
| 276 | P | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 130.5 | 172.6 | 25.9 | -34.6 | 0 | 0 | 0 | 111.9 | D237 V238 V239 P264 I266 L290 | D237-P276 WeakPolarHBondContact O-CD 3.47Å; V238-P276 HydrophobicContact CG1-CG 4.22Å; V238-P276 HydrophobicContact CG2-CG 4.24Å; V239-P276 PolarHBondContact N-O 3.16Å; P264-P276 HydrophobicContact CB-CB 3.53Å; P264-P276 HydrophobicContact CG-CB 3.85Å; I266-P276 HydrophobicContact CD1-CB 4.16Å; P276-L290 HydrophobicContact CB-CD2 4.39Å |
| 277 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.1 | 171.2 | -175.9 | 0 | 0 | 0 | 0 | 109 | F223 D226 A230 V239 F265 V267 | F223-V277 HydrophobicContact CD2-CG1 4.03Å; F223-V277 HydrophobicContact CE2-CB 4.43Å; F223-V277 HydrophobicContact CE2-CG1 3.83Å; D226-V277 HydrophobicContact CB-CG1 3.71Å; A230-V277 HydrophobicContact CB-CG2 3.55Å; V239-V277 HydrophobicContact CB-CG1 4.34Å; V239-V277 HydrophobicContact CB-CG2 4.19Å; V239-V277 HydrophobicContact CG2-CG2 4.5Å; V239-V277 WeakPolarHBondContact O-CA 3.06Å; F265-V277 HydrophobicContact CB-CB 4.45Å; F265-V277 PolarHBondContact N-O 3.25Å; F265-V277 PolarHBondContact O-N 2.95Å; V267-V277 HydrophobicContact CB-CG2 4.42Å; V267-V277 HydrophobicContact CG2-CG2 3.67Å |
| 278 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.1 | -178.9 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | H33 V239 V240 G241 Y263 P264 L290 | H33-V278 WeakPolarHBondContact NE2-CG2 3.39Å; V239-V278 PolarHBondContact O-N 2.82Å; V240-V278 HydrophobicContact CB-CG2 4.17Å; V240-V278 HydrophobicContact CG1-CG2 4.29Å; V240-V278 HydrophobicContact CG2-CG2 3.67Å; G241-V278 PolarHBondContact N-O 2.82Å; Y263-V278 HydrophobicContact CD1-CG1 4.43Å; Y263-V278 HydrophobicContact CD2-CB 4.34Å; Y263-V278 HydrophobicContact CD2-CG1 4.02Å; Y263-V278 HydrophobicContact CE1-CG1 3.98Å; Y263-V278 HydrophobicContact CE2-CB 3.65Å; Y263-V278 HydrophobicContact CE2-CG1 3.54Å; Y263-V278 HydrophobicContact CG-CG1 4.46Å; P264-V278 HydrophobicContact CB-CG1 3.66Å; V278-L290 HydrophobicContact CG1-CD1 4.37Å; V278-L290 HydrophobicContact CG1-CD2 3.87Å; V278-L290 HydrophobicContact CG2-CD2 4.35Å |
| 279 | Q | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -139.9 | 161.7 | 163.7 | -65.8 | -157.5 | -7.9 | 0 | 0 | 108.2 | D226 G241 G242 S244 T246 | D226-Q279 PolarHBondContact OD2-NE2 2.79Å; G241-Q279 WeakPolarHBondContact O-CG 3.2Å; G242-Q279 PolarHBondContact O-NE2 2.98Å; S244-Q279 PolarHBondContact OG-NE2 3.36Å; S244-Q279 PolarHBondContact OG-OE1 3.39Å; T246-Q279 VanDerWaalsContact O-CB 3.31Å; T246-Q279 WeakPolarHBondContact O-CB 3.35Å; T246-Q279 PolarHBondContact OG1-OE1 3.32Å | ||
| 280 | A | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -125 | 42.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N35 A282 | N35-A280 WeakPolarHBondContact OD1-CA 3.25Å; N35-A280 WeakPolarHBondContact OD1-CB 3.47Å; N35-A280 PolarHBondContact OD1-N 3.33Å; A280-A282 PolarHBondContact O-N 3.25Å |
| 281 | Y | 97.2 | Very high | 97.7 | Very high | 17 Ų | 17 | 20.1 Ų | 20.1 | 7% | 0.067 | 11% | 0.106 | C | C | . | . | trans | 60.8 | -113.5 | -176.6 | -179.6 | -119.4 | 0 | 0 | 0 | 111.2 | N35 N245 T246 F247 E257 F283 K285 Y286 | N35-Y281 PolarHBondContact ND2-O 2.92Å; N245-Y281 CarbonylContact C-O 2.86Å; N245-Y281 VanDerWaalsContact CA-O 3.24Å; N245-Y281 WeakPolarHBondContact CA-O 3.5Å; N245-Y281 WeakPolarHBondContact O-CD2 3.27Å; T246-Y281 PolarHBondContact O-N 3.35Å; F247-Y281 HydrophobicContact CB-CD2 4.09Å; F247-Y281 HydrophobicContact CB-CG 4.43Å; E257-Y281 HydrophobicContact CG-CD1 4.02Å; E257-Y281 HydrophobicContact CG-CD2 3.82Å; E257-Y281 HydrophobicContact CG-CE1 3.79Å; E257-Y281 HydrophobicContact CG-CE2 3.59Å; E257-Y281 HydrophobicContact CG-CG 4.02Å; Y281-F283 AromaticContact CE1-CD2 3.99Å; Y281-F283 HydrophobicContact CE1-CD2 3.99Å; Y281-F283 HydrophobicContact CE1-CE2 4.49Å; Y281-K285 HydrophobicContact CD1-CB 4.41Å; Y281-K285 HydrophobicContact CD1-CD 4.43Å; Y281-K285 HydrophobicContact CE1-CD 4.2Å; Y281-Y286 HydrophobicContact CD1-CD2 4.02Å; Y281-Y286 HydrophobicContact CD1-CE2 4.07Å; Y281-Y286 HydrophobicContact CG-CD2 4.42Å | ||
| 282 | A | 90.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -167.7 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D36 N245 A280 G284 K285 | D36-A282 HydrophobicContact CB-CB 3.85Å; N245-A282 HydrophobicContact CB-CB 4.04Å; A280-A282 PolarHBondContact O-N 3.25Å; A282-G284 PolarHBondContact O-N 3.14Å; A282-G284 VanDerWaalsContact O-N 3.1Å; A282-K285 PolarHBondContact O-N 3Å |
| 283 | F | 94.1 | Very high | 97.9 | Very high | 21 Ų | 21 | 17.2 Ų | 17.2 | 9% | 0.092 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 16 | 164.8 | -51 | -52.7 | 0 | 0 | 0 | 115.2 | D36 V37 H38 R40 S48 Y281 K285 | D36-F283 PolarHBondContact O-N 3.19Å; V37-F283 WeakPolarHBondContact O-CA 3.44Å; H38-F283 HydrophobicContact CB-CD1 4.13Å; H38-F283 HydrophobicContact CB-CE1 4.23Å; H38-F283 AromaticContact CD2-CE1 3.7Å; R40-F283 WeakPolarHBondContact CB-O 3.47Å; R40-F283 HydrophobicContact CG-CB 3.97Å; R40-F283 HydrophobicContact CG-CD1 4.37Å; S48-F283 WeakPolarHBondContact OG-CB 3.36Å; S48-F283 WeakPolarHBondContact OG-CD2 3.48Å; Y281-F283 AromaticContact CE1-CD2 3.99Å; Y281-F283 HydrophobicContact CE1-CD2 3.99Å; Y281-F283 HydrophobicContact CE1-CE2 4.49Å; F283-K285 PolarHBondContact O-N 2.69Å; F283-K285 VanDerWaalsContact O-N 3.13Å |
| 284 | G | 97.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 14.9 Ų | 14.9 | 7% | 0.072 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 19.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G59 A282 Y286 | G59-G284 WeakPolarHBondContact CA-O 3.35Å; A282-G284 PolarHBondContact O-N 3.14Å; A282-G284 VanDerWaalsContact O-N 3.1Å; G284-Y286 VanDerWaalsContact C-N 3.3Å |
| 285 | K | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -70.4 | -31 | 177.6 | -179.8 | 174.2 | 173.9 | 173.2 | 0 | 111.7 | E46 M58 S255 E257 Y281 A282 F283 L309 L310 | E46-K285 PolarHBondContact O-NZ 2.94Å; M58-K285 HydrophobicContact CB-CG 4.44Å; M58-K285 HydrophobicContact SD-CD 4.38Å; M58-K285 VanDerWaalsContact SD-CE 3.56Å; M58-K285 HydrophobicContact SD-CG 4.39Å; S255-K285 PolarHBondContact OG-NZ 2.65Å; E257-K285 IonicContact OE1-NZ 3.45Å; E257-K285 PolarHBondContact OE1-NZ 2.8Å; E257-K285 WeakPolarHBondContact OE2-CE 3.46Å; E257-K285 IonicContact OE2-NZ 2.74Å; E257-K285 PolarHBondContact OE2-NZ 3.22Å; Y281-K285 HydrophobicContact CD1-CB 4.41Å; Y281-K285 HydrophobicContact CD1-CD 4.43Å; Y281-K285 HydrophobicContact CE1-CD 4.2Å; A282-K285 PolarHBondContact O-N 3Å; F283-K285 PolarHBondContact O-N 2.69Å; F283-K285 VanDerWaalsContact O-N 3.13Å; K285-L309 HydrophobicContact CG-CD1 3.96Å; K285-L310 WeakPolarHBondContact O-CB 3.49Å; K285-L310 PolarHBondContact O-N 3.32Å |
| 286 | Y | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149.1 | 178.5 | -64.6 | -93.4 | 0 | 0 | 0 | 111.1 | F247 P254 S255 E257 Y281 G284 P307 I308 L309 | F247-Y286 HydrophobicContact CD2-CE2 4.42Å; F247-Y286 HydrophobicContact CE2-CD1 4.16Å; F247-Y286 HydrophobicContact CE2-CD2 4.42Å; F247-Y286 AromaticContact CE2-CE1 3.78Å; F247-Y286 HydrophobicContact CE2-CE1 3.78Å; F247-Y286 HydrophobicContact CE2-CE2 4.08Å; F247-Y286 HydrophobicContact CE2-CG 4.46Å; F247-Y286 AromaticContact CE2-CZ 3.75Å; F247-Y286 HydrophobicContact CZ-CE1 4.13Å; P254-Y286 HydrophobicContact CG-CE1 3.84Å; S255-Y286 WeakPolarHBondContact CB-OH 3.27Å; E257-Y286 HydrophobicContact CG-CE2 4.5Å; E257-Y286 PolarHBondContact OE2-OH 2.94Å; E257-Y286 VanDerWaalsContact OE2-OH 3.08Å; Y281-Y286 HydrophobicContact CD1-CD2 4.02Å; Y281-Y286 HydrophobicContact CD1-CE2 4.07Å; Y281-Y286 HydrophobicContact CG-CD2 4.42Å; G284-Y286 VanDerWaalsContact C-N 3.3Å; Y286-P307 HydrophobicContact CD1-CB 3.86Å; Y286-P307 HydrophobicContact CG-CB 4.14Å; Y286-I308 VanDerWaalsContact CA-O 3.29Å; Y286-I308 WeakPolarHBondContact CA-O 3.44Å; Y286-L309 HydrophobicContact CD1-CB 4.11Å; Y286-L309 HydrophobicContact CD1-CD1 4.3Å; Y286-L309 HydrophobicContact CE1-CB 3.77Å; Y286-L309 HydrophobicContact CE1-CD1 3.76Å; Y286-L309 HydrophobicContact CE1-CG 4.35Å; Y286-L309 HydrophobicContact CE2-CD1 4.29Å |
| 287 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.1 | 161.6 | 174 | 58.7 | 0 | 0 | 0 | 108.1 | L32 T34 L64 K67 V68 I71 L80 Y289 P307 I308 L310 | L32-L287 HydrophobicContact CB-CD1 4.12Å; L32-L287 HydrophobicContact CD1-CD2 4.48Å; L32-L287 HydrophobicContact CD2-CD2 4.24Å; L32-L287 HydrophobicContact CD2-CG 4.46Å; T34-L287 HydrophobicContact CG2-CD1 4.26Å; L64-L287 HydrophobicContact CD1-CB 4.02Å; L64-L287 HydrophobicContact CD1-CD1 3.7Å; L64-L287 HydrophobicContact CD1-CD2 4.03Å; L64-L287 HydrophobicContact CD1-CG 4.12Å; K67-L287 HydrophobicContact CB-CD2 4.29Å; K67-L287 HydrophobicContact CG-CD2 3.77Å; V68-L287 HydrophobicContact CG2-CD1 4.5Å; V68-L287 HydrophobicContact CG2-CD2 3.91Å; I71-L287 HydrophobicContact CD1-CD2 4.11Å; L80-L287 HydrophobicContact CD1-CD1 4.24Å; L287-Y289 PolarHBondContact O-N 2.89Å; L287-P307 CarbonylContact O-C 3.59Å; L287-P307 WeakPolarHBondContact O-CA 3.41Å; L287-I308 HydrophobicContact CB-CB 4.48Å; L287-I308 PolarHBondContact N-O 2.91Å; L287-I308 PolarHBondContact O-N 2.88Å; L287-L310 HydrophobicContact CB-CD1 4.34Å; L287-L310 HydrophobicContact CB-CD2 4.18Å; L287-L310 HydrophobicContact CB-CG 4.41Å |
| 288 | G | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 134.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L32 H33 | L32-G288 VanDerWaalsContact CA-O 3.28Å; L32-G288 WeakPolarHBondContact CA-O 3.31Å; H33-G288 PolarHBondContact N-O 3.44Å; H33-G288 WeakPolarHBondContact NE2-CA 3.46Å; H33-G288 WeakPolarHBondContact O-CA 3.48Å; H33-G288 PolarHBondContact O-N 3.15Å |
| 289 | Y | 98.9 | Very high | 97.2 | Very high | 45 Ų | 45 | 28.9 Ų | 28.9 | 18% | 0.176 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 110.9 | 179.1 | 172.7 | -92.5 | 0 | 0 | 0 | 108.9 | T30 L32 I71 E75 Y263 L287 K291 G305 N306 I308 | T30-Y289 HydrophobicContact CG2-CD2 3.83Å; T30-Y289 HydrophobicContact CG2-CE2 3.52Å; L32-Y289 HydrophobicContact CD2-CD2 3.66Å; I71-Y289 HydrophobicContact CD1-CD2 3.96Å; I71-Y289 HydrophobicContact CD1-CE2 4.32Å; I71-Y289 HydrophobicContact CG2-CD2 4.47Å; I71-Y289 HydrophobicContact CG2-CE2 4.04Å; E75-Y289 PolarHBondContact OE1-OH 3.43Å; Y263-Y289 WeakPolarHBondContact CE1-O 3.48Å; Y263-Y289 VanDerWaalsContact OH-C 3.26Å; Y263-Y289 PolarHBondContact OH-N 3.26Å; Y263-Y289 PolarHBondContact OH-O 3.23Å; L287-Y289 PolarHBondContact O-N 2.89Å; Y289-K291 HydrophobicContact CE1-CD 4.28Å; Y289-K291 HydrophobicContact CE1-CG 3.74Å; Y289-K291 VanDerWaalsContact OH-CD 3.24Å; Y289-K291 WeakPolarHBondContact OH-CD 3.31Å; Y289-K291 WeakPolarHBondContact OH-CG 3.47Å; Y289-G305 WeakPolarHBondContact O-CA 3.45Å; Y289-N306 PolarHBondContact O-N 3.08Å; Y289-N306 VanDerWaalsContact O-N 3.15Å; Y289-I308 HydrophobicContact CD2-CD1 4.3Å; Y289-I308 HydrophobicContact CG-CD1 4.12Å |
| 290 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.9 | 178 | -177 | 67.2 | 0 | 0 | 0 | 109.3 | T30 I31 V238 Y263 P264 P276 V278 I292 | T30-L290 WeakPolarHBondContact CA-O 3.45Å; I31-L290 HydrophobicContact CB-CB 4.45Å; I31-L290 PolarHBondContact N-O 2.83Å; I31-L290 PolarHBondContact O-N 3.13Å; V238-L290 HydrophobicContact CG1-CD2 4.07Å; Y263-L290 HydrophobicContact CE1-CB 4.1Å; Y263-L290 HydrophobicContact CE1-CD1 3.89Å; P264-L290 HydrophobicContact CB-CD1 3.99Å; P264-L290 HydrophobicContact CG-CD1 3.83Å; P276-L290 HydrophobicContact CB-CD2 4.39Å; V278-L290 HydrophobicContact CG1-CD1 4.37Å; V278-L290 HydrophobicContact CG1-CD2 3.87Å; V278-L290 HydrophobicContact CG2-CD2 4.35Å; L290-I292 HydrophobicContact CD2-CD1 3.62Å; L290-I292 HydrophobicContact CD2-CG1 3.88Å; L290-I292 HydrophobicContact CG-CD1 4.1Å; L290-I292 HydrophobicContact CG-CG1 3.78Å |
| 291 | K | 98.8 | Very high | 97.2 | Very high | 25 Ų | 25 | 35.5 Ų | 35.5 | 11% | 0.109 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136.5 | 166.4 | -55.4 | -159.7 | 84.3 | 175.5 | 0 | 109.2 | E28 L29 E75 Y289 S303 H304 | E28-K291 VanDerWaalsContact OE1-CE 3.22Å; E28-K291 WeakPolarHBondContact OE1-CE 3.47Å; E28-K291 IonicContact OE1-NZ 3.84Å; E28-K291 PolarHBondContact OE1-NZ 3.27Å; E28-K291 WeakPolarHBondContact OE2-CE 3.23Å; E28-K291 IonicContact OE2-NZ 3.86Å; E28-K291 PolarHBondContact OE2-NZ 3.17Å; L29-K291 WeakPolarHBondContact O-CA 3.43Å; E75-K291 IonicContact OE1-NZ 2.97Å; E75-K291 PolarHBondContact OE1-NZ 2.82Å; E75-K291 IonicContact OE2-NZ 2.84Å; E75-K291 PolarHBondContact OE2-NZ 3.16Å; Y289-K291 HydrophobicContact CE1-CD 4.28Å; Y289-K291 HydrophobicContact CE1-CG 3.74Å; Y289-K291 VanDerWaalsContact OH-CD 3.24Å; Y289-K291 WeakPolarHBondContact OH-CD 3.31Å; Y289-K291 WeakPolarHBondContact OH-CG 3.47Å; K291-S303 CarbonylContact O-C 3.49Å; K291-S303 VanDerWaalsContact O-CA 3.29Å; K291-S303 WeakPolarHBondContact O-CA 2.89Å; K291-H304 PolarHBondContact N-O 3.41Å; K291-H304 PolarHBondContact O-N 2.87Å |
| 292 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.1 | 180 | -51.1 | -174.4 | 0 | 0 | 0 | 108.9 | E28 L29 I31 V238 L290 F294 V300 | E28-I292 CarbonylContact C-O 3.17Å; E28-I292 WeakPolarHBondContact CA-O 3.37Å; L29-I292 PolarHBondContact N-O 3.24Å; L29-I292 PolarHBondContact O-N 2.93Å; I31-I292 HydrophobicContact CD1-CD1 3.59Å; I31-I292 HydrophobicContact CG1-CD1 4.44Å; V238-I292 HydrophobicContact CB-CD1 4.23Å; V238-I292 HydrophobicContact CG1-CD1 3.97Å; V238-I292 HydrophobicContact CG2-CD1 3.21Å; L290-I292 HydrophobicContact CD2-CD1 3.62Å; L290-I292 HydrophobicContact CD2-CG1 3.88Å; L290-I292 HydrophobicContact CG-CD1 4.1Å; L290-I292 HydrophobicContact CG-CG1 3.78Å; I292-F294 HydrophobicContact CB-CD2 4.45Å; I292-F294 HydrophobicContact CB-CE2 3.92Å; I292-F294 HydrophobicContact CB-CZ 4.48Å; I292-F294 HydrophobicContact CG2-CD2 3.91Å; I292-F294 HydrophobicContact CG2-CE1 4.27Å; I292-F294 HydrophobicContact CG2-CE2 3.45Å; I292-F294 VanDerWaalsContact CG2-CE2 3.45Å; I292-F294 HydrophobicContact CG2-CG 4.5Å; I292-F294 HydrophobicContact CG2-CZ 3.67Å; I292-V300 HydrophobicContact CG2-CB 4.46Å; I292-V300 HydrophobicContact CG2-CG1 3.86Å; I292-V300 HydrophobicContact CG2-CG2 4Å |
| 293 | E | 98.4 | Very high | 97.6 | Very high | 65 Ų | 65 | 37.7 Ų | 37.7 | 30% | 0.304 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.4 | 172.9 | -65.5 | 176.3 | 161.7 | 0 | 0 | 109.4 | E28 I301 S302 | E28-E293 HydrophobicContact CG-CG 4.45Å; E293-I301 HydrophobicContact CB-CB 4.36Å; E293-I301 PolarHBondContact O-N 3.1Å; E293-S302 PolarHBondContact N-O 2.92Å; E293-S302 PolarHBondContact OE2-OG 3.21Å |
| 294 | F | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 144.4 | 177.4 | -70.8 | -82.4 | 0 | 0 | 0 | 111.6 | A26 W27 L29 K214 D237 V238 I292 G298 N299 V300 | A26-F294 WeakPolarHBondContact CA-O 3.38Å; W27-F294 HydrophobicContact CE3-CB 4.43Å; W27-F294 AromaticContact CE3-CD2 3.83Å; W27-F294 HydrophobicContact CE3-CD2 3.83Å; W27-F294 HydrophobicContact CE3-CG 4.49Å; W27-F294 HydrophobicContact CZ3-CD2 4Å; W27-F294 HydrophobicContact CZ3-CE2 4.35Å; W27-F294 PolarHBondContact N-O 2.91Å; W27-F294 PolarHBondContact O-N 3.47Å; L29-F294 HydrophobicContact CB-CE2 4.28Å; L29-F294 HydrophobicContact CD2-CE2 4.29Å; K214-F294 HydrophobicContact CB-CE1 4.46Å; K214-F294 HydrophobicContact CD-CB 3.96Å; K214-F294 HydrophobicContact CD-CD1 4.07Å; K214-F294 HydrophobicContact CD-CD2 3.83Å; K214-F294 HydrophobicContact CD-CE1 4.48Å; K214-F294 HydrophobicContact CD-CE2 4.28Å; K214-F294 HydrophobicContact CD-CG 3.69Å; K214-F294 HydrophobicContact CG-CB 4.48Å; K214-F294 HydrophobicContact CG-CD1 3.78Å; K214-F294 HydrophobicContact CG-CD2 4.33Å; K214-F294 HydrophobicContact CG-CE1 3.94Å; K214-F294 HydrophobicContact CG-CE2 4.49Å; K214-F294 HydrophobicContact CG-CG 3.96Å; K214-F294 HydrophobicContact CG-CZ 4.3Å; D237-F294 HydrophobicContact CB-CE1 3.86Å; D237-F294 HydrophobicContact CB-CZ 4.33Å; V238-F294 HydrophobicContact CG2-CZ 4.37Å; I292-F294 HydrophobicContact CB-CD2 4.45Å; I292-F294 HydrophobicContact CB-CE2 3.92Å; I292-F294 HydrophobicContact CB-CZ 4.48Å; I292-F294 HydrophobicContact CG2-CD2 3.91Å; I292-F294 HydrophobicContact CG2-CE1 4.27Å; I292-F294 HydrophobicContact CG2-CE2 3.45Å; I292-F294 VanDerWaalsContact CG2-CE2 3.45Å; I292-F294 HydrophobicContact CG2-CG 4.5Å; I292-F294 HydrophobicContact CG2-CZ 3.67Å; F294-G298 VanDerWaalsContact CD1-O 3.25Å; F294-G298 WeakPolarHBondContact CD1-O 3.43Å; F294-N299 CarbonylContact C-O 3.59Å; F294-N299 VanDerWaalsContact CA-O 3.32Å; F294-N299 WeakPolarHBondContact CA-O 3.41Å; F294-V300 HydrophobicContact CD1-CG2 4.09Å; F294-V300 HydrophobicContact CE1-CG2 3.52Å; F294-V300 HydrophobicContact CZ-CG2 4.1Å |
| 295 | D | 96.7 | Very high | 97.9 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 19% | 0.193 | 20% | 0.203 | C | C | . | . | trans | -75.6 | 170.6 | 162.4 | 79.8 | 3 | 0 | 0 | 0 | 111.1 | R297 G298 N299 I301 | D295-R297 PolarHBondContact O-N 2.97Å; D295-R297 VanDerWaalsContact O-N 3.08Å; D295-R297 VanDerWaalsContact OD1-C 3.27Å; D295-R297 VanDerWaalsContact OD1-CA 3.28Å; D295-R297 WeakPolarHBondContact OD1-CA 3.43Å; D295-R297 WeakPolarHBondContact OD1-CB 3.44Å; D295-R297 PolarHBondContact OD1-N 2.79Å; D295-R297 IonicContact OD2-NE 3.72Å; D295-R297 IonicContact OD2-NH2 3.8Å; D295-G298 PolarHBondContact O-N 3.04Å; D295-G298 PolarHBondContact OD1-N 3.41Å; D295-N299 PolarHBondContact N-O 3.42Å; D295-N299 PolarHBondContact OD1-N 3.03Å; D295-N299 PolarHBondContact OD1-ND2 3.08Å; D295-N299 PolarHBondContact OD2-ND2 3.32Å; D295-I301 HydrophobicContact CB-CD1 3.94Å; D295-I301 HydrophobicContact CB-CG1 4.1Å | ||
| 296 | E | 94.8 | Very high | 97.9 | Very high | 139 Ų | 139 | 43.4 Ų | 43.4 | 65% | 0.65 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.9 | 178.8 | -64.7 | -174 | 153.9 | 0 | 0 | 113.4 | A24 N213 G298 | A24-E296 HydrophobicContact CB-CG 3.98Å; A24-E296 WeakPolarHBondContact CB-OE1 3.48Å; N213-E296 PolarHBondContact ND2-O 2.74Å; N213-E296 VanDerWaalsContact ND2-O 3.15Å; E296-G298 VanDerWaalsContact C-N 3.32Å |
| 297 | R | 95.3 | Very high | 97.9 | Very high | 186 Ų | 186 | 43.3 Ų | 43.3 | 70% | 0.702 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.3 | 178.3 | -62.4 | -177.5 | -66 | -176 | -1.6 | 112.5 | N213 D295 | N213-R297 WeakPolarHBondContact CB-O 3.47Å; D295-R297 PolarHBondContact O-N 2.97Å; D295-R297 VanDerWaalsContact O-N 3.08Å; D295-R297 VanDerWaalsContact OD1-C 3.27Å; D295-R297 VanDerWaalsContact OD1-CA 3.28Å; D295-R297 WeakPolarHBondContact OD1-CA 3.43Å; D295-R297 WeakPolarHBondContact OD1-CB 3.44Å; D295-R297 PolarHBondContact OD1-N 2.79Å; D295-R297 IonicContact OD2-NE 3.72Å; D295-R297 IonicContact OD2-NH2 3.8Å |
| 298 | G | 96 | Very high | 97.9 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 80.6 | 14.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F294 D295 E296 | F294-G298 VanDerWaalsContact CD1-O 3.25Å; F294-G298 WeakPolarHBondContact CD1-O 3.43Å; D295-G298 PolarHBondContact O-N 3.04Å; D295-G298 PolarHBondContact OD1-N 3.41Å; E296-G298 VanDerWaalsContact C-N 3.32Å |
| 299 | N | 96.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 46.3 Ų | 46.3 | 31% | 0.305 | 23% | 0.228 | S | C | . | . | trans | -80.8 | 138.5 | 173 | -55.7 | -65.9 | 0 | 0 | 0 | 110.6 | F294 D295 I301 | F294-N299 CarbonylContact C-O 3.59Å; F294-N299 VanDerWaalsContact CA-O 3.32Å; F294-N299 WeakPolarHBondContact CA-O 3.41Å; D295-N299 PolarHBondContact N-O 3.42Å; D295-N299 PolarHBondContact OD1-N 3.03Å; D295-N299 PolarHBondContact OD1-ND2 3.08Å; D295-N299 PolarHBondContact OD2-ND2 3.32Å; N299-I301 PolarHBondContact O-N 2.82Å | ||
| 300 | V | 98.1 | Very high | 97.9 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 117.3 | 173.1 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | D237 I292 F294 | D237-V300 HydrophobicContact CB-CG2 3.99Å; I292-V300 HydrophobicContact CG2-CB 4.46Å; I292-V300 HydrophobicContact CG2-CG1 3.86Å; I292-V300 HydrophobicContact CG2-CG2 4Å; F294-V300 HydrophobicContact CD1-CG2 4.09Å; F294-V300 HydrophobicContact CE1-CG2 3.52Å; F294-V300 HydrophobicContact CZ-CG2 4.1Å |
| 301 | I | 97.6 | Very high | 97.8 | Very high | 103 Ų | 103 | 46.4 Ų | 46.4 | 53% | 0.528 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -48.8 | 173.3 | -57.8 | 173.2 | 0 | 0 | 0 | 109.3 | A26 E293 D295 N299 | A26-I301 HydrophobicContact CB-CD1 4.04Å; E293-I301 HydrophobicContact CB-CB 4.36Å; E293-I301 PolarHBondContact O-N 3.1Å; D295-I301 HydrophobicContact CB-CD1 3.94Å; D295-I301 HydrophobicContact CB-CG1 4.1Å; N299-I301 PolarHBondContact O-N 2.82Å |
| 302 | S | 98.1 | Very high | 97.8 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 27% | 0.266 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 155.1 | -178.2 | 85.5 | 0 | 0 | 0 | 0 | 110.7 | E293 | E293-S302 PolarHBondContact N-O 2.92Å; E293-S302 PolarHBondContact OE2-OG 3.21Å |
| 303 | S | 98.4 | Very high | 97.7 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 127.3 | 175.5 | 65 | 0 | 0 | 0 | 0 | 109.8 | P264 K291 | P264-S303 WeakPolarHBondContact CG-OG 3.34Å; K291-S303 CarbonylContact O-C 3.49Å; K291-S303 VanDerWaalsContact O-CA 3.29Å; K291-S303 WeakPolarHBondContact O-CA 2.89Å |
| 304 | H | 98.4 | Very high | 97.7 | Very high | 95 Ų | 95 | 50.1 Ų | 50.1 | 44% | 0.44 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 157.8 | 179.6 | 69.6 | 84.6 | 0 | 0 | 0 | 111.9 | K291 | K291-H304 PolarHBondContact N-O 3.41Å; K291-H304 PolarHBondContact O-N 2.87Å |
| 305 | G | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | -169.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y263 Y289 | Y263-G305 VanDerWaalsContact CD1-C 3.44Å; Y263-G305 WeakPolarHBondContact CD1-O 3.33Å; Y289-G305 WeakPolarHBondContact O-CA 3.45Å |
| 306 | N | 98.8 | Very high | 97.8 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | trans | -164.1 | 150.4 | 172.1 | -96.8 | -43.6 | 0 | 0 | 0 | 109.2 | Y249 T250 Y289 I308 | Y249-N306 HydrophobicContact CD2-CB 4.46Å; Y249-N306 HydrophobicContact CE2-CB 3.95Å; T250-N306 PolarHBondContact N-OD1 2.98Å; T250-N306 PolarHBondContact O-ND2 2.94Å; Y289-N306 PolarHBondContact O-N 3.08Å; Y289-N306 VanDerWaalsContact O-N 3.15Å; N306-I308 PolarHBondContact O-N 2.62Å | ||
| 307 | P | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 129.5 | 169.2 | -20 | 32.5 | 0 | 0 | 0 | 111.1 | F247 L248 Y249 Y263 Y286 L287 | F247-P307 HydrophobicContact CE2-CB 4.45Å; F247-P307 HydrophobicContact CE2-CG 4.37Å; L248-P307 WeakPolarHBondContact O-CD 3.24Å; L248-P307 WeakPolarHBondContact O-CG 3.24Å; Y249-P307 WeakPolarHBondContact CE2-O 3.49Å; Y263-P307 HydrophobicContact CD2-CG 3.71Å; Y263-P307 HydrophobicContact CE2-CG 3.82Å; Y263-P307 HydrophobicContact CG-CG 4.41Å; Y286-P307 HydrophobicContact CD1-CB 3.86Å; Y286-P307 HydrophobicContact CG-CB 4.14Å; L287-P307 CarbonylContact O-C 3.59Å; L287-P307 WeakPolarHBondContact O-CA 3.41Å |
| 308 | I | 98.9 | Very high | 98.2 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 23% | 0.226 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117 | -179.8 | -57.5 | 172.9 | 0 | 0 | 0 | 108.3 | K67 I71 Y286 L287 Y289 N306 L310 I314 | K67-I308 HydrophobicContact CD-CD1 4.19Å; K67-I308 HydrophobicContact CD-CG2 4.33Å; K67-I308 HydrophobicContact CG-CD1 4.29Å; K67-I308 HydrophobicContact CG-CG2 4.33Å; I71-I308 HydrophobicContact CD1-CD1 3.78Å; Y286-I308 VanDerWaalsContact CA-O 3.29Å; Y286-I308 WeakPolarHBondContact CA-O 3.44Å; L287-I308 HydrophobicContact CB-CB 4.48Å; L287-I308 PolarHBondContact N-O 2.91Å; L287-I308 PolarHBondContact O-N 2.88Å; Y289-I308 HydrophobicContact CD2-CD1 4.3Å; Y289-I308 HydrophobicContact CG-CD1 4.12Å; N306-I308 PolarHBondContact O-N 2.62Å; I308-L310 PolarHBondContact O-N 2.87Å; I308-I314 HydrophobicContact CG2-CD1 4.37Å |
| 309 | L | 98.8 | Very high | 98.3 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 119.4 | 173.9 | 178.1 | 65.4 | 0 | 0 | 0 | 110 | M58 P254 K285 Y286 N311 | M58-L309 HydrophobicContact SD-CD1 3.88Å; P254-L309 HydrophobicContact CB-CB 4.27Å; P254-L309 HydrophobicContact CB-CD2 4.03Å; P254-L309 HydrophobicContact CG-CB 3.9Å; P254-L309 HydrophobicContact CG-CD2 4.29Å; K285-L309 HydrophobicContact CG-CD1 3.96Å; Y286-L309 HydrophobicContact CD1-CB 4.11Å; Y286-L309 HydrophobicContact CD1-CD1 4.3Å; Y286-L309 HydrophobicContact CE1-CB 3.77Å; Y286-L309 HydrophobicContact CE1-CD1 3.76Å; Y286-L309 HydrophobicContact CE1-CG 4.35Å; Y286-L309 HydrophobicContact CE2-CD1 4.29Å; L309-N311 VanDerWaalsContact C-N 3.26Å; L309-N311 HydrophobicContact CD2-CB 4.08Å; L309-N311 HydrophobicContact CG-CB 4.05Å; L309-N311 PolarHBondContact O-N 2.75Å |
| 310 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -84.5 | 65.3 | 178.3 | -61.1 | -178.9 | 0 | 0 | 0 | 110.5 | M58 G59 R63 L64 K67 K285 L287 I308 I314 | M58-L310 CarbonylContact C-O 3.57Å; M58-L310 WeakPolarHBondContact CA-O 3.31Å; G59-L310 PolarHBondContact N-O 3.26Å; R63-L310 VanDerWaalsContact CD-C 3.48Å; R63-L310 WeakPolarHBondContact CD-O 3.44Å; R63-L310 HydrophobicContact CG-CB 4.23Å; L64-L310 HydrophobicContact CB-CD1 3.97Å; L64-L310 HydrophobicContact CD1-CD1 3.96Å; K67-L310 HydrophobicContact CB-CD2 3.93Å; K67-L310 HydrophobicContact CG-CD2 4.17Å; K285-L310 WeakPolarHBondContact O-CB 3.49Å; K285-L310 PolarHBondContact O-N 3.32Å; L287-L310 HydrophobicContact CB-CD1 4.34Å; L287-L310 HydrophobicContact CB-CD2 4.18Å; L287-L310 HydrophobicContact CB-CG 4.41Å; I308-L310 PolarHBondContact O-N 2.87Å; L310-I314 HydrophobicContact CD2-CD1 3.92Å | ||
| 311 | N | 98.1 | Very high | 98.4 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | trans | -87.9 | 179.6 | 178.1 | 70.4 | 18.7 | 0 | 0 | 0 | 112.8 | M58 R63 L309 S313 I314 | M58-N311 HydrophobicContact CG-CB 4.42Å; R63-N311 VanDerWaalsContact CD-O 3.24Å; R63-N311 WeakPolarHBondContact CD-O 3.45Å; R63-N311 PolarHBondContact NE-O 3.17Å; R63-N311 VanDerWaalsContact NE-O 3.12Å; L309-N311 VanDerWaalsContact C-N 3.26Å; L309-N311 HydrophobicContact CD2-CB 4.08Å; L309-N311 HydrophobicContact CG-CB 4.05Å; L309-N311 PolarHBondContact O-N 2.75Å; N311-S313 PolarHBondContact O-N 2.91Å; N311-S313 VanDerWaalsContact OD1-CB 3.26Å; N311-S313 WeakPolarHBondContact OD1-CB 3.46Å; N311-S313 PolarHBondContact OD1-N 3.13Å; N311-S313 PolarHBondContact OD1-OG 2.75Å; N311-I314 PolarHBondContact O-N 3.02Å | ||
| 312 | S | 97.2 | Very high | 98.5 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 43% | 0.427 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -10.8 | -178.5 | 56.6 | 0 | 0 | 0 | 0 | 115.8 | S55 I314 | S55-S312 VanDerWaalsContact O-CB 3.24Å; S55-S312 WeakPolarHBondContact O-CB 3.33Å; S55-S312 PolarHBondContact O-OG 2.77Å; S312-I314 PolarHBondContact O-N 3.25Å |
| 313 | S | 97.9 | Very high | 98.5 | Very high | 96 Ų | 96 | 46.8 Ų | 46.8 | 67% | 0.671 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.7 | 172 | 74.5 | 0 | 0 | 0 | 0 | 112.8 | N311 | N311-S313 PolarHBondContact O-N 2.91Å; N311-S313 VanDerWaalsContact OD1-CB 3.26Å; N311-S313 WeakPolarHBondContact OD1-CB 3.46Å; N311-S313 PolarHBondContact OD1-N 3.13Å; N311-S313 PolarHBondContact OD1-OG 2.75Å |
| 314 | I | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -94.8 | 117.7 | 171.3 | -58.5 | 160.8 | 0 | 0 | 0 | 106.5 | R63 T66 K67 I308 L310 N311 S312 | R63-I314 HydrophobicContact CG-CB 3.84Å; R63-I314 HydrophobicContact CG-CG2 3.71Å; R63-I314 PolarHBondContact NE-O 3.16Å; T66-I314 HydrophobicContact CG2-CG2 3.94Å; K67-I314 HydrophobicContact CB-CG2 4.4Å; I308-I314 HydrophobicContact CG2-CD1 4.37Å; L310-I314 HydrophobicContact CD2-CD1 3.92Å; N311-I314 PolarHBondContact O-N 3.02Å; S312-I314 PolarHBondContact O-N 3.25Å |
| 315 | P | 98.3 | Very high | 98.3 | Very high | 80 Ų | 80 | 45.3 Ų | 45.3 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -67 | 152.8 | 178.5 | 27.7 | -32.4 | 0 | 0 | 0 | 110.4 | T66 | T66-P315 WeakPolarHBondContact CB-O 3.26Å; T66-P315 HydrophobicContact CG2-CG 4.19Å; T66-P315 PolarHBondContact OG1-O 3.2Å; T66-P315 VanDerWaalsContact OG1-O 3.06Å |
| 316 | E | 98.8 | Very high | 98.3 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 137.2 | 167.6 | -67.5 | 175.5 | 111.4 | 0 | 0 | 109.6 | A62 R63 P318 K321 | A62-E316 HydrophobicContact CB-CB 3.83Å; A62-E316 HydrophobicContact CB-CG 4.21Å; R63-E316 HydrophobicContact CB-CG 4.25Å; E316-P318 WeakPolarHBondContact O-CD 3.45Å; E316-K321 HydrophobicContact CB-CD 4.09Å; E316-K321 WeakPolarHBondContact OE2-CE 3.1Å; E316-K321 IonicContact OE2-NZ 2.83Å; E316-K321 PolarHBondContact OE2-NZ 3.38Å |
| 317 | D | 98.8 | Very high | 98.1 | Very high | 31 Ų | 31 | 52.4 Ų | 52.4 | 17% | 0.166 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 124.5 | 173.7 | -177.1 | -88.1 | 0 | 0 | 0 | 110.9 | A62 F65 T66 S319 I320 K321 | A62-D317 WeakPolarHBondContact O-CB 3.46Å; A62-D317 PolarHBondContact O-N 2.85Å; F65-D317 HydrophobicContact CB-CB 4.35Å; F65-D317 HydrophobicContact CD1-CB 3.58Å; F65-D317 VanDerWaalsContact CD1-CG 3.48Å; F65-D317 WeakPolarHBondContact CD1-OD2 3.47Å; F65-D317 HydrophobicContact CE1-CB 4.27Å; F65-D317 WeakPolarHBondContact CE1-OD2 3.22Å; F65-D317 HydrophobicContact CG-CB 4.3Å; T66-D317 PolarHBondContact OG1-N 3.23Å; T66-D317 VanDerWaalsContact OG1-N 3.15Å; D317-S319 VanDerWaalsContact C-N 3.31Å; D317-S319 PolarHBondContact O-N 3.07Å; D317-S319 WeakPolarHBondContact OD1-CA 3.29Å; D317-S319 WeakPolarHBondContact OD1-CB 3.14Å; D317-S319 PolarHBondContact OD1-N 3.48Å; D317-I320 HydrophobicContact CB-CB 4.18Å; D317-I320 HydrophobicContact CB-CG1 4.11Å; D317-I320 PolarHBondContact O-N 2.8Å; D317-I320 PolarHBondContact OD1-N 2.74Å; D317-K321 WeakPolarHBondContact O-CB 3.33Å; D317-K321 PolarHBondContact O-N 3.47Å |
| 318 | P | 98.6 | Very high | 97.8 | Very high | 100 Ų | 100 | 53.4 Ų | 53.4 | 65% | 0.649 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62 | -35.1 | -175.4 | -25.6 | 34.7 | 0 | 0 | 0 | 114.1 | E316 A322 | E316-P318 WeakPolarHBondContact O-CD 3.45Å; P318-A322 WeakPolarHBondContact O-CB 3.43Å; P318-A322 PolarHBondContact O-N 3.2Å |
| 319 | S | 98.6 | Very high | 97.5 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 63% | 0.629 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -73.2 | -46.8 | -178.5 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | D317 K321 A322 D323 | D317-S319 VanDerWaalsContact C-N 3.31Å; D317-S319 PolarHBondContact O-N 3.07Å; D317-S319 WeakPolarHBondContact OD1-CA 3.29Å; D317-S319 WeakPolarHBondContact OD1-CB 3.14Å; D317-S319 PolarHBondContact OD1-N 3.48Å; S319-K321 VanDerWaalsContact C-N 3.34Å; S319-K321 PolarHBondContact O-N 3.38Å; S319-A322 PolarHBondContact O-N 3.18Å; S319-D323 PolarHBondContact O-N 2.84Å; S319-D323 VanDerWaalsContact O-N 3.1Å |
| 320 | I | 98.6 | Very high | 97.1 | Very high | 13 Ų | 13 | 61.9 Ų | 61.9 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 176 | -57.5 | -60.3 | 0 | 0 | 0 | 110.5 | V61 A62 F65 F104 A107 D317 A322 D323 I324 | V61-I320 HydrophobicContact CG1-CG2 3.98Å; A62-I320 HydrophobicContact CB-CB 4.05Å; A62-I320 HydrophobicContact CB-CG2 3.86Å; F65-I320 HydrophobicContact CB-CG1 4.01Å; F65-I320 HydrophobicContact CD1-CG1 4.03Å; F65-I320 HydrophobicContact CD2-CD1 3.98Å; F65-I320 HydrophobicContact CD2-CG1 3.8Å; F65-I320 HydrophobicContact CE1-CG1 4.42Å; F65-I320 HydrophobicContact CE2-CD1 4.13Å; F65-I320 HydrophobicContact CE2-CG1 4.24Å; F65-I320 HydrophobicContact CG-CD1 4.38Å; F65-I320 HydrophobicContact CG-CG1 3.69Å; F104-I320 HydrophobicContact CD1-CG2 4.18Å; F104-I320 HydrophobicContact CE1-CG2 4.2Å; A107-I320 HydrophobicContact CB-CD1 3.96Å; D317-I320 HydrophobicContact CB-CB 4.18Å; D317-I320 HydrophobicContact CB-CG1 4.11Å; D317-I320 PolarHBondContact O-N 2.8Å; D317-I320 PolarHBondContact OD1-N 2.74Å; I320-A322 PolarHBondContact O-N 2.72Å; I320-D323 WeakPolarHBondContact O-CB 3.42Å; I320-D323 PolarHBondContact O-N 3.35Å; I320-I324 HydrophobicContact CG2-CD1 4.14Å; I320-I324 HydrophobicContact CG2-CG1 4.39Å; I320-I324 WeakPolarHBondContact O-CG1 3.27Å; I320-I324 PolarHBondContact O-N 2.9Å |
| 321 | K | 98.4 | Very high | 96.6 | Very high | 80 Ų | 80 | 61.9 Ų | 61.9 | 35% | 0.348 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 177 | -176.5 | 170.2 | -175.9 | 164.8 | 0 | 112.7 | A62 E316 D317 S319 D323 I324 N325 | A62-K321 HydrophobicContact CB-CB 4.18Å; E316-K321 HydrophobicContact CB-CD 4.09Å; E316-K321 WeakPolarHBondContact OE2-CE 3.1Å; E316-K321 IonicContact OE2-NZ 2.83Å; E316-K321 PolarHBondContact OE2-NZ 3.38Å; D317-K321 WeakPolarHBondContact O-CB 3.33Å; D317-K321 PolarHBondContact O-N 3.47Å; S319-K321 VanDerWaalsContact C-N 3.34Å; S319-K321 PolarHBondContact O-N 3.38Å; K321-D323 VanDerWaalsContact C-N 3.27Å; K321-D323 PolarHBondContact O-N 3.17Å; K321-I324 PolarHBondContact O-N 3.17Å; K321-N325 PolarHBondContact O-N 2.97Å; K321-N325 PolarHBondContact O-ND2 3.35Å |
| 322 | A | 98.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P318 S319 I320 N325 K326 | P318-A322 WeakPolarHBondContact O-CB 3.43Å; P318-A322 PolarHBondContact O-N 3.2Å; S319-A322 PolarHBondContact O-N 3.18Å; I320-A322 PolarHBondContact O-N 2.72Å; A322-N325 PolarHBondContact O-N 2.9Å; A322-K326 PolarHBondContact O-N 3Å; A322-K326 VanDerWaalsContact O-N 3.1Å |
| 323 | D | 98.4 | Very high | 94.9 | Very high | 41 Ų | 41 | 66.2 Ų | 66.2 | 22% | 0.219 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68 | -47.6 | 176.2 | -159.2 | 7.8 | 0 | 0 | 0 | 111.6 | H103 F104 S319 I320 K321 N325 K326 W327 | H103-D323 IonicContact CD2-OD2 3.84Å; H103-D323 IonicContact CE1-OD2 3.41Å; H103-D323 PolarHBondContact CE1-OD2 3.47Å; H103-D323 IonicContact NE2-OD1 3.23Å; H103-D323 IonicContact NE2-OD2 3.98Å; H103-D323 PolarHBondContact NE2-OD2 2.87Å; F104-D323 HydrophobicContact CE1-CB 4.25Å; S319-D323 PolarHBondContact O-N 2.84Å; S319-D323 VanDerWaalsContact O-N 3.1Å; I320-D323 WeakPolarHBondContact O-CB 3.42Å; I320-D323 PolarHBondContact O-N 3.35Å; K321-D323 VanDerWaalsContact C-N 3.27Å; K321-D323 PolarHBondContact O-N 3.17Å; D323-N325 VanDerWaalsContact C-N 3.27Å; D323-N325 PolarHBondContact O-N 3.25Å; D323-K326 WeakPolarHBondContact O-CB 3.48Å; D323-K326 PolarHBondContact O-N 2.76Å; D323-W327 PolarHBondContact O-N 2.72Å; D323-W327 VanDerWaalsContact O-N 3.11Å; D323-W327 PolarHBondContact OD1-NE1 2.81Å |
| 324 | I | 97.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -50.4 | -49.6 | 171.3 | -67.1 | 168.4 | 0 | 0 | 0 | 110.4 | E42 V61 A62 W92 F104 I320 K321 K326 W327 R328 | E42-I324 HydrophobicContact CG-CG2 3.74Å; V61-I324 HydrophobicContact CG1-CD1 3.52Å; V61-I324 HydrophobicContact CG1-CG1 4Å; A62-I324 HydrophobicContact CB-CD1 3.9Å; W92-I324 HydrophobicContact CH2-CG2 3.88Å; W92-I324 WeakPolarHBondContact CH2-O 3.45Å; W92-I324 HydrophobicContact CZ2-CG2 3.85Å; F104-I324 HydrophobicContact CE1-CG1 3.74Å; F104-I324 HydrophobicContact CE2-CG1 4.46Å; F104-I324 HydrophobicContact CZ-CB 4.4Å; F104-I324 HydrophobicContact CZ-CG1 3.68Å; I320-I324 HydrophobicContact CG2-CD1 4.14Å; I320-I324 HydrophobicContact CG2-CG1 4.39Å; I320-I324 WeakPolarHBondContact O-CG1 3.27Å; I320-I324 PolarHBondContact O-N 2.9Å; K321-I324 PolarHBondContact O-N 3.17Å; I324-K326 VanDerWaalsContact C-N 3.26Å; I324-K326 PolarHBondContact O-N 3.48Å; I324-W327 PolarHBondContact O-N 2.86Å; I324-R328 WeakPolarHBondContact O-CB 3.5Å; I324-R328 PolarHBondContact O-N 2.9Å |
| 325 | N | 96.3 | Very high | 92.6 | Very high | 85 Ų | 85 | 66.7 Ų | 66.7 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -34.2 | -179.6 | -69.3 | -18.1 | 0 | 0 | 0 | 112.9 | K321 A322 D323 R328 | K321-N325 PolarHBondContact O-N 2.97Å; K321-N325 PolarHBondContact O-ND2 3.35Å; A322-N325 PolarHBondContact O-N 2.9Å; D323-N325 VanDerWaalsContact C-N 3.27Å; D323-N325 PolarHBondContact O-N 3.25Å; N325-R328 WeakPolarHBondContact O-CB 3.15Å; N325-R328 PolarHBondContact O-N 3.38Å |
| 326 | K | 96.9 | Very high | 91.5 | Very high | 152 Ų | 152 | 68 Ų | 68 | 66% | 0.661 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 176.8 | -178.4 | -176.4 | 175.7 | -173.7 | 0 | 111.6 | A322 D323 I324 R328 | A322-K326 PolarHBondContact O-N 3Å; A322-K326 VanDerWaalsContact O-N 3.1Å; D323-K326 WeakPolarHBondContact O-CB 3.48Å; D323-K326 PolarHBondContact O-N 2.76Å; I324-K326 VanDerWaalsContact C-N 3.26Å; I324-K326 PolarHBondContact O-N 3.48Å; K326-R328 VanDerWaalsContact C-N 3.33Å |
| 327 | W | 95.8 | Very high | 90.6 | Very high | 52 Ų | 52 | 72.4 Ų | 72.4 | 20% | 0.197 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 174.6 | -70 | 62.5 | 0 | 0 | 0 | 110 | W92 Y96 A99 E100 H103 D323 I324 I329 K330 | W92-W327 HydrophobicContact CH2-CB 3.72Å; W92-W327 HydrophobicContact CZ3-CB 3.5Å; W92-W327 VanDerWaalsContact CZ3-CB 3.5Å; W92-W327 HydrophobicContact CZ3-CG 4.36Å; Y96-W327 AromaticContact CD1-CE3 3.54Å; Y96-W327 HydrophobicContact CD1-CE3 3.54Å; Y96-W327 AromaticContact CD1-CZ3 3.52Å; Y96-W327 HydrophobicContact CD1-CZ3 3.52Å; Y96-W327 HydrophobicContact CD2-CE3 4.1Å; Y96-W327 HydrophobicContact CE1-CD2 4.35Å; Y96-W327 AromaticContact CE1-CE3 3.36Å; Y96-W327 HydrophobicContact CE1-CE3 3.36Å; Y96-W327 AromaticContact CE1-CZ3 3.76Å; Y96-W327 HydrophobicContact CE1-CZ3 3.76Å; Y96-W327 HydrophobicContact CE2-CB 4.32Å; Y96-W327 AromaticContact CE2-CE3 3.95Å; Y96-W327 HydrophobicContact CE2-CE3 3.95Å; Y96-W327 AromaticContact CG-CE3 3.91Å; Y96-W327 HydrophobicContact CG-CE3 3.91Å; Y96-W327 AromaticContact CG-CZ3 3.98Å; Y96-W327 HydrophobicContact CG-CZ3 3.98Å; Y96-W327 AromaticContact CZ-CE3 3.58Å; Y96-W327 WeakPolarHBondContact OH-CA 3.49Å; Y96-W327 PolarHBondContact OH-O 2.93Å; A99-W327 HydrophobicContact CB-CZ3 4.47Å; E100-W327 HydrophobicContact CB-CE3 4.37Å; E100-W327 HydrophobicContact CB-CZ3 4.23Å; H103-W327 HydrophobicContact CB-CH2 4.04Å; H103-W327 HydrophobicContact CB-CZ2 3.97Å; H103-W327 AromaticContact CD2-CZ2 3.8Å; H103-W327 AromaticContact CG-CZ2 3.62Å; H103-W327 AromaticContact ND1-CZ2 3.94Å; H103-W327 AromaticContact NE2-NE1 3.91Å; D323-W327 PolarHBondContact O-N 2.72Å; D323-W327 VanDerWaalsContact O-N 3.11Å; D323-W327 PolarHBondContact OD1-NE1 2.81Å; I324-W327 PolarHBondContact O-N 2.86Å; W327-I329 PolarHBondContact O-N 3.43Å; W327-K330 PolarHBondContact O-N 2.78Å; W327-K330 VanDerWaalsContact O-N 3.13Å |
| 328 | R | 93.1 | Very high | 90.1 | Very high | 21 Ų | 21 | 75.7 Ų | 75.7 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -53.4 | -30.5 | -177.6 | -170.1 | 58.5 | 173.8 | 91.2 | -16.5 | 114.6 | E42 W92 I324 N325 K326 K330 L331 D332 S335 E409 | E42-R328 VanDerWaalsContact OE1-CD 3.28Å; E42-R328 WeakPolarHBondContact OE1-CD 3Å; E42-R328 IonicContact OE1-CZ 3.34Å; E42-R328 IonicContact OE1-NE 3.23Å; E42-R328 PolarHBondContact OE1-NE 3.29Å; E42-R328 IonicContact OE2-NE 2.76Å; E42-R328 PolarHBondContact OE2-NE 2.93Å; W92-R328 HydrophobicContact CH2-CB 4.45Å; W92-R328 HydrophobicContact CZ2-CB 4.32Å; I324-R328 WeakPolarHBondContact O-CB 3.5Å; I324-R328 PolarHBondContact O-N 2.9Å; N325-R328 WeakPolarHBondContact O-CB 3.15Å; N325-R328 PolarHBondContact O-N 3.38Å; K326-R328 VanDerWaalsContact C-N 3.33Å; R328-K330 PolarHBondContact O-N 2.04Å; R328-K330 VanDerWaalsContact O-N 3.12Å; R328-L331 VanDerWaalsContact NH1-C 3.26Å; R328-L331 VanDerWaalsContact NH1-CB 3.26Å; R328-L331 PolarHBondContact NH1-O 2.91Å; R328-L331 WeakPolarHBondContact O-CA 3.13Å; R328-L331 VanDerWaalsContact O-CB 3.25Å; R328-L331 WeakPolarHBondContact O-CB 3.08Å; R328-L331 PolarHBondContact O-N 3.33Å; R328-D332 IonicContact CZ-OD1 3.74Å; R328-D332 IonicContact NH1-OD1 2.86Å; R328-D332 PolarHBondContact NH1-OD1 3.06Å; R328-D332 PolarHBondContact O-N 3.12Å; R328-S335 PolarHBondContact NH1-OG 3.45Å; R328-S335 PolarHBondContact NH2-OG 2.8Å; R328-E409 IonicContact CZ-OE1 2.71Å; R328-E409 IonicContact NH2-OE1 3.59Å; R328-E409 PolarHBondContact NH2-OE1 3.39Å; R328-E409 IonicContact NH2-OE2 2.87Å; R328-E409 PolarHBondContact NH2-OE2 3.02Å |
| 329 | I | 92.6 | Very high | 89.9 | Confident | 116 Ų | 116 | 71.6 Ų | 71.6 | 60% | 0.595 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -51.3 | -39 | 178.9 | -63.1 | 169.7 | 0 | 0 | 0 | 112.5 | W327 L331 D332 | W327-I329 PolarHBondContact O-N 3.43Å; I329-L331 PolarHBondContact O-N 3.37Å; I329-D332 PolarHBondContact O-N 3.45Å |
| 330 | K | 89 | Confident | 89.7 | Confident | 125 Ų | 125 | 67.5 Ų | 67.5 | 54% | 0.543 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -70 | -20.2 | 180 | -165.2 | 178.8 | 176.2 | -169.4 | 0 | 112.6 | V95 Y96 W327 R328 | V95-K330 HydrophobicContact CG1-CD 3.68Å; V95-K330 HydrophobicContact CG1-CG 4.04Å; Y96-K330 HydrophobicContact CE1-CD 4.16Å; Y96-K330 WeakPolarHBondContact OH-CB 3.41Å; W327-K330 PolarHBondContact O-N 2.78Å; W327-K330 VanDerWaalsContact O-N 3.13Å; R328-K330 PolarHBondContact O-N 2.04Å; R328-K330 VanDerWaalsContact O-N 3.12Å |
| 331 | L | 87.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -92.7 | -15.9 | -175.3 | -55.2 | -175.1 | 0 | 0 | 0 | 112.7 | I91 W92 V95 Y96 R328 I329 N333 Y334 S335 | I91-L331 HydrophobicContact CD1-CB 3.74Å; I91-L331 HydrophobicContact CD1-CD1 4.16Å; I91-L331 HydrophobicContact CD1-CD2 4.43Å; I91-L331 HydrophobicContact CD1-CG 4.33Å; I91-L331 HydrophobicContact CG1-CD1 4.24Å; W92-L331 HydrophobicContact CD2-CD1 3.5Å; W92-L331 VanDerWaalsContact CD2-CD1 3.5Å; W92-L331 VanDerWaalsContact CE2-CD1 3.44Å; W92-L331 HydrophobicContact CE3-CD1 3.95Å; W92-L331 HydrophobicContact CG-CD1 3.83Å; W92-L331 HydrophobicContact CH2-CD1 4.28Å; W92-L331 HydrophobicContact CZ2-CD1 3.86Å; W92-L331 HydrophobicContact CZ3-CD1 4.33Å; V95-L331 HydrophobicContact CB-CD2 3.49Å; V95-L331 VanDerWaalsContact CB-CD2 3.49Å; V95-L331 HydrophobicContact CG1-CD2 3.73Å; V95-L331 HydrophobicContact CG2-CD2 3.52Å; Y96-L331 HydrophobicContact CD2-CD2 4.36Å; Y96-L331 HydrophobicContact CE2-CD1 4.11Å; Y96-L331 HydrophobicContact CE2-CD2 3.84Å; Y96-L331 HydrophobicContact CE2-CG 4.03Å; R328-L331 VanDerWaalsContact NH1-C 3.26Å; R328-L331 VanDerWaalsContact NH1-CB 3.26Å; R328-L331 PolarHBondContact NH1-O 2.91Å; R328-L331 WeakPolarHBondContact O-CA 3.13Å; R328-L331 VanDerWaalsContact O-CB 3.25Å; R328-L331 WeakPolarHBondContact O-CB 3.08Å; R328-L331 PolarHBondContact O-N 3.33Å; I329-L331 PolarHBondContact O-N 3.37Å; L331-N333 VanDerWaalsContact C-N 3.27Å; L331-N333 PolarHBondContact O-N 2.88Å; L331-Y334 WeakPolarHBondContact O-CB 3.41Å; L331-Y334 PolarHBondContact O-N 3.22Å; L331-S335 PolarHBondContact O-OG 3.3Å; L331-S335 VanDerWaalsContact O-OG 3.06Å |
| 332 | D | 84.1 | Confident | 89.6 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -29.9 | -172.2 | -69.6 | -15.5 | 0 | 0 | 0 | 113.7 | R328 I329 Y334 S335 T336 | R328-D332 IonicContact CZ-OD1 3.74Å; R328-D332 IonicContact NH1-OD1 2.86Å; R328-D332 PolarHBondContact NH1-OD1 3.06Å; R328-D332 PolarHBondContact O-N 3.12Å; I329-D332 PolarHBondContact O-N 3.45Å; D332-Y334 PolarHBondContact O-N 2.99Å; D332-S335 WeakPolarHBondContact O-CB 3.02Å; D332-S335 PolarHBondContact O-N 3.07Å; D332-T336 WeakPolarHBondContact O-CG2 3.48Å; D332-T336 PolarHBondContact O-N 2.83Å; D332-T336 PolarHBondContact O-OG1 2.84Å |
| 333 | N | 75.7 | Confident | 89.6 | Confident | 132 Ų | 132 | 69.6 Ų | 69.6 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.3 | -31.5 | 175.1 | -70.5 | -15 | 0 | 0 | 0 | 112.5 | L331 S335 T336 | L331-N333 VanDerWaalsContact C-N 3.27Å; L331-N333 PolarHBondContact O-N 2.88Å; N333-S335 VanDerWaalsContact C-N 3.32Å; N333-T336 PolarHBondContact O-OG1 3Å |
| 334 | Y | 73.6 | Confident | 89.6 | Confident | 100 Ų | 100 | 69.8 Ų | 69.8 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -82.2 | -14.2 | 176.6 | -58.4 | -81.3 | 0 | 0 | 0 | 112.9 | V95 L331 D332 W408 E409 | V95-Y334 HydrophobicContact CG2-CD2 4.38Å; V95-Y334 HydrophobicContact CG2-CE2 3.78Å; L331-Y334 WeakPolarHBondContact O-CB 3.41Å; L331-Y334 PolarHBondContact O-N 3.22Å; D332-Y334 PolarHBondContact O-N 2.99Å; Y334-W408 AromaticContact CD1-CD1 3.64Å; Y334-W408 HydrophobicContact CD1-CG 4.41Å; Y334-W408 WeakPolarHBondContact O-CB 3.39Å; Y334-E409 PolarHBondContact O-N 3.45Å; Y334-E409 VanDerWaalsContact O-N 3.08Å |
| 335 | S | 75.9 | Confident | 89.6 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 12% | 0.119 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -98.6 | -14.6 | -169.9 | -48.9 | 0 | 0 | 0 | 0 | 113 | R328 L331 D332 N333 E409 | R328-S335 PolarHBondContact NH1-OG 3.45Å; R328-S335 PolarHBondContact NH2-OG 2.8Å; L331-S335 PolarHBondContact O-OG 3.3Å; L331-S335 VanDerWaalsContact O-OG 3.06Å; D332-S335 WeakPolarHBondContact O-CB 3.02Å; D332-S335 PolarHBondContact O-N 3.07Å; N333-S335 VanDerWaalsContact C-N 3.32Å; S335-E409 WeakPolarHBondContact CB-OE2 3.27Å; S335-E409 PolarHBondContact OG-OE2 3.34Å |
| 336 | T | 74.3 | Confident | 89.7 | Confident | 108 Ų | 108 | 69 Ų | 69 | 66% | 0.663 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -102.7 | -21.6 | -167.6 | 44.3 | 0 | 0 | 0 | 0 | 114 | D332 N333 E338 | D332-T336 WeakPolarHBondContact O-CG2 3.48Å; D332-T336 PolarHBondContact O-N 2.83Å; D332-T336 PolarHBondContact O-OG1 2.84Å; N333-T336 PolarHBondContact O-OG1 3Å; T336-E338 PolarHBondContact O-N 3.37Å |
| 337 | Q | 79.3 | Confident | 89.8 | Confident | 127 Ų | 127 | 63.5 Ų | 63.5 | 59% | 0.593 | 31% | 0.311 | S | S | * | . | trans | -82.3 | 106.7 | 179.3 | -169.6 | 175.1 | -1.8 | 0 | 0 | 111 | L339 T407 | Q337-L339 PolarHBondContact O-N 3.48Å; Q337-T407 WeakPolarHBondContact O-CA 3.41Å | ||
| 338 | E | 89.6 | Confident | 89.9 | Confident | 99 Ų | 99 | 61.1 Ų | 61.1 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 122.1 | 169.2 | 177.2 | 170.1 | 141.5 | 0 | 0 | 109.8 | T336 K341 T405 | T336-E338 PolarHBondContact O-N 3.37Å; E338-K341 WeakPolarHBondContact OE1-CE 3.46Å; E338-T405 HydrophobicContact CB-CG2 4.23Å; E338-T405 HydrophobicContact CG-CG2 3.97Å; E338-T405 PolarHBondContact OE2-OG1 3.22Å |
| 339 | L | 93.3 | Very high | 90 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -36.5 | 175.5 | -59.7 | 173.2 | 0 | 0 | 0 | 110.9 | Q337 I406 W408 L411 I532 S533 | Q337-L339 PolarHBondContact O-N 3.48Å; L339-I406 PolarHBondContact N-O 3.14Å; L339-W408 HydrophobicContact CD1-CE3 4.16Å; L339-W408 HydrophobicContact CD2-CE3 4.41Å; L339-L411 HydrophobicContact CD1-CD1 3.4Å; L339-L411 HydrophobicContact CD1-CG 4.14Å; L339-I532 HydrophobicContact CB-CG2 4.21Å; L339-S533 VanDerWaalsContact O-CA 3.28Å; L339-S533 WeakPolarHBondContact O-CA 3.34Å; L339-S533 PolarHBondContact O-OG 3.33Å |
| 340 | G | 95.1 | Very high | 90 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | -162.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I406 K536 | G340-I406 PolarHBondContact O-N 2.87Å; G340-K536 WeakPolarHBondContact CA-O 3.19Å |
| 341 | K | 97.4 | Very high | 90.1 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 35% | 0.352 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.3 | -177.5 | -61.6 | -175.4 | 179.6 | -175 | 0 | 112.8 | E338 G404 K536 V537 I538 | E338-K341 WeakPolarHBondContact OE1-CE 3.46Å; K341-G404 CarbonylContact C-O 3.59Å; K341-G404 WeakPolarHBondContact CA-O 3.26Å; K341-K536 PolarHBondContact N-O 3.47Å; K341-V537 CarbonylContact O-C 3.46Å; K341-V537 VanDerWaalsContact O-CA 3.26Å; K341-V537 WeakPolarHBondContact O-CA 3.48Å; K341-I538 PolarHBondContact O-N 3.22Å |
| 342 | T | 98.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 141.8 | 162.9 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | V344 L346 E400 G404 I406 I538 | T342-V344 WeakPolarHBondContact CG2-O 3.41Å; T342-V344 PolarHBondContact OG1-N 2.95Å; T342-V344 PolarHBondContact OG1-O 2.84Å; T342-L346 HydrophobicContact CG2-CD1 4.19Å; T342-L346 HydrophobicContact CG2-CG 4.13Å; T342-E400 HydrophobicContact CG2-CB 3.98Å; T342-G404 PolarHBondContact N-O 2.98Å; T342-G404 WeakPolarHBondContact O-CA 3.01Å; T342-I406 HydrophobicContact CG2-CD1 4.3Å; T342-I406 HydrophobicContact CG2-CG1 4.36Å; T342-I538 WeakPolarHBondContact CA-O 3.31Å |
| 343 | I | 98.1 | Very high | 91.2 | Very high | 113 Ų | 113 | 51.8 Ų | 51.8 | 58% | 0.579 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -106 | 7.9 | 171.3 | 57.3 | 168.9 | 0 | 0 | 0 | 112.4 | V537 I538 Y539 | I343-V537 HydrophobicContact CB-CG1 4.47Å; I343-V537 HydrophobicContact CD1-CG1 4.29Å; I343-V537 HydrophobicContact CG1-CG1 4.12Å; I343-V537 HydrophobicContact CG2-CG1 3.66Å; I343-I538 PolarHBondContact N-O 3.36Å; I343-I538 VanDerWaalsContact N-O 3.13Å; I343-Y539 HydrophobicContact CD1-CD1 4.29Å; I343-Y539 HydrophobicContact CD1-CG 4.46Å |
| 344 | V | 98.2 | Very high | 92.3 | Very high | 45 Ų | 45 | 47 Ų | 47 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -133 | 152.5 | 175.8 | -58.3 | 0 | 0 | 0 | 0 | 109.5 | T342 L346 P540 | T342-V344 WeakPolarHBondContact CG2-O 3.41Å; T342-V344 PolarHBondContact OG1-N 2.95Å; T342-V344 PolarHBondContact OG1-O 2.84Å; V344-L346 HydrophobicContact CG2-CD2 4.07Å; V344-L346 PolarHBondContact O-N 2.82Å; V344-P540 HydrophobicContact CG2-CG 4.34Å |
| 345 | Y | 98 | Very high | 93.4 | Very high | 73 Ų | 73 | 44.3 Ų | 44.3 | 29% | 0.286 | 22% | 0.224 | S | C | . | . | trans | -59.6 | 125.2 | 168.2 | -177.6 | -112.3 | 0 | 0 | 0 | 109.5 | D47 D347 N359 P397 E400 | D47-Y345 WeakPolarHBondContact OD2-CE2 3.27Å; D47-Y345 PolarHBondContact OD2-OH 3.04Å; Y345-D347 HydrophobicContact CD1-CB 3.8Å; Y345-D347 HydrophobicContact CE1-CB 3.71Å; Y345-D347 PolarHBondContact O-N 3.45Å; Y345-N359 PolarHBondContact O-ND2 3.37Å; Y345-P397 HydrophobicContact CE1-CB 4.33Å; Y345-P397 HydrophobicContact CE2-CB 4.08Å; Y345-P397 WeakPolarHBondContact OH-CB 3.22Å; Y345-P397 WeakPolarHBondContact OH-CG 3.31Å; Y345-E400 WeakPolarHBondContact CA-OE2 3.38Å; Y345-E400 VanDerWaalsContact CB-OE2 3.26Å; Y345-E400 WeakPolarHBondContact CB-OE2 3.48Å; Y345-E400 WeakPolarHBondContact CD2-OE2 3.36Å; Y345-E400 PolarHBondContact N-OE2 2.89Å | ||
| 346 | L | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -91 | 95.6 | 174.3 | -56.1 | 178.6 | 0 | 0 | 0 | 108.1 | T342 V344 G348 M360 L363 P397 I398 I406 I538 P540 | T342-L346 HydrophobicContact CG2-CD1 4.19Å; T342-L346 HydrophobicContact CG2-CG 4.13Å; V344-L346 HydrophobicContact CG2-CD2 4.07Å; V344-L346 PolarHBondContact O-N 2.82Å; L346-G348 PolarHBondContact O-N 2.97Å; L346-M360 HydrophobicContact CB-CE 3.38Å; L346-M360 HydrophobicContact CB-SD 4.25Å; L346-M360 HydrophobicContact CD1-CE 4.08Å; L346-M360 HydrophobicContact CG-CE 4.36Å; L346-L363 HydrophobicContact CD1-CD2 3.98Å; L346-L363 HydrophobicContact CD2-CD2 4.24Å; L346-P397 WeakPolarHBondContact O-CA 3.21Å; L346-P397 VanDerWaalsContact O-CB 3.3Å; L346-P397 WeakPolarHBondContact O-CB 3.46Å; L346-I398 HydrophobicContact CB-CB 4.16Å; L346-I398 HydrophobicContact CD1-CB 4.09Å; L346-I398 HydrophobicContact CD1-CD1 4.16Å; L346-I398 HydrophobicContact CG-CB 4.48Å; L346-I398 PolarHBondContact N-O 3.04Å; L346-I398 PolarHBondContact O-N 2.91Å; L346-I406 HydrophobicContact CD1-CD1 4.11Å; L346-I538 HydrophobicContact CD1-CD1 3.95Å; L346-I538 HydrophobicContact CD2-CD1 4.33Å; L346-P540 HydrophobicContact CD2-CG 3.42Å; L346-P540 VanDerWaalsContact CD2-CG 3.42Å |
| 347 | D | 98.1 | Very high | 95.6 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | trans | -75.9 | 92.9 | -176.9 | -171.6 | -4.2 | 0 | 0 | 0 | 110.4 | Y345 S349 S352 C353 C358 N359 M360 | Y345-D347 HydrophobicContact CD1-CB 3.8Å; Y345-D347 HydrophobicContact CE1-CB 3.71Å; Y345-D347 PolarHBondContact O-N 3.45Å; D347-S349 VanDerWaalsContact OD1-CB 3.27Å; D347-S349 WeakPolarHBondContact OD1-CB 3.22Å; D347-S349 PolarHBondContact OD1-N 3.33Å; D347-S349 PolarHBondContact OD1-OG 3.4Å; D347-S352 VanDerWaalsContact CG-OG 3.3Å; D347-S352 WeakPolarHBondContact OD1-CB 3.3Å; D347-S352 PolarHBondContact OD1-OG 3.06Å; D347-S352 WeakPolarHBondContact OD2-CB 3.26Å; D347-S352 PolarHBondContact OD2-OG 3.28Å; D347-C353 PolarHBondContact O-SG 3.11Å; D347-C353 VanDerWaalsContact O-SG 3.37Å; D347-C358 WeakPolarHBondContact O-CB 3.25Å; D347-N359 WeakPolarHBondContact CB-OD1 3.26Å; D347-N359 PolarHBondContact N-OD1 3.43Å; D347-M360 VanDerWaalsContact O-CB 3.27Å; D347-M360 WeakPolarHBondContact O-CB 3.13Å | ||
| 348 | G | 97.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -101.5 | 21.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L346 | L346-G348 PolarHBondContact O-N 2.97Š| ||
| 349 | S | 95.8 | Very high | 97 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 16% | 0.161 | 17% | 0.165 | C | C | . | . | trans | -72.7 | 149.4 | -179 | 69.2 | 0 | 0 | 0 | 0 | 111.8 | D347 Q351 S352 C353 | D347-S349 VanDerWaalsContact OD1-CB 3.27Å; D347-S349 WeakPolarHBondContact OD1-CB 3.22Å; D347-S349 PolarHBondContact OD1-N 3.33Å; D347-S349 PolarHBondContact OD1-OG 3.4Å; S349-Q351 VanDerWaalsContact C-N 3.26Å; S349-Q351 PolarHBondContact O-N 2.99Å; S349-S352 PolarHBondContact O-N 3.06Å; S349-S352 VanDerWaalsContact O-N 3.16Å; S349-S352 WeakPolarHBondContact OG-CB 3.21Å; S349-S352 PolarHBondContact OG-N 2.84Å; S349-S352 PolarHBondContact OG-OG 2.85Å; S349-C353 PolarHBondContact O-N 3.27Å | ||
| 350 | S | 91.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -36.5 | 176.8 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | S352 R354 F355 | S350-S352 PolarHBondContact O-N 3.03Å; S350-R354 VanDerWaalsContact O-CB 3.25Å; S350-R354 WeakPolarHBondContact O-CB 3.38Å; S350-R354 PolarHBondContact O-N 3Å; S350-R354 VanDerWaalsContact O-N 3.08Å; S350-R354 PolarHBondContact OG-NE 3.04Å; S350-F355 WeakPolarHBondContact O-CD2 3.48Å |
| 351 | Q | 92.5 | Very high | 97.4 | Very high | 86 Ų | 86 | 33.7 Ų | 33.7 | 40% | 0.402 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.4 | -22.3 | 179.1 | -62.7 | 81.2 | -2.5 | 0 | 0 | 112.9 | S349 R356 | S349-Q351 VanDerWaalsContact C-N 3.26Å; S349-Q351 PolarHBondContact O-N 2.99Å; Q351-R356 PolarHBondContact O-NH2 2.99Å |
| 352 | S | 96.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 4% | 0.035 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -97 | -65.1 | 172.9 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | D347 S349 S350 R354 F355 R356 | D347-S352 VanDerWaalsContact CG-OG 3.3Å; D347-S352 WeakPolarHBondContact OD1-CB 3.3Å; D347-S352 PolarHBondContact OD1-OG 3.06Å; D347-S352 WeakPolarHBondContact OD2-CB 3.26Å; D347-S352 PolarHBondContact OD2-OG 3.28Å; S349-S352 PolarHBondContact O-N 3.06Å; S349-S352 VanDerWaalsContact O-N 3.16Å; S349-S352 WeakPolarHBondContact OG-CB 3.21Å; S349-S352 PolarHBondContact OG-N 2.84Å; S349-S352 PolarHBondContact OG-OG 2.85Å; S350-S352 PolarHBondContact O-N 3.03Å; S352-R354 PolarHBondContact O-N 3.04Å; S352-R354 VanDerWaalsContact O-N 3.12Å; S352-F355 PolarHBondContact O-N 3.45Å; S352-R356 PolarHBondContact O-N 2.82Å; S352-R356 PolarHBondContact OG-NH1 2.88Å |
| 353 | C | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.7 | -16.5 | -168.6 | -63.6 | 0 | 0 | 0 | 0 | 115.1 | D347 S349 C358 G391 I394 F449 Q451 | D347-C353 PolarHBondContact O-SG 3.11Å; D347-C353 VanDerWaalsContact O-SG 3.37Å; S349-C353 PolarHBondContact O-N 3.27Å; C353-C358 WeakPolarHBondContact CA-SG 3.27Å; C353-C358 HydrophobicContact CB-CB 4Å; C353-C358 WeakPolarHBondContact CB-SG 3.39Å; C353-C358 WeakPolarHBondContact SG-CB 3.39Å; C353-C358 CovalentContact SG-SG 2.04Å; C353-C358 PolarHBondContact SG-SG 3.45Å; C353-G391 WeakPolarHBondContact O-CA 3.43Å; C353-I394 HydrophobicContact CB-CD1 4.18Å; C353-F449 WeakPolarHBondContact O-CD1 3.48Å; C353-Q451 PolarHBondContact O-NE2 2.76Å |
| 354 | R | 97.9 | Very high | 97.5 | Very high | 32 Ų | 32 | 24.6 Ų | 24.6 | 12% | 0.121 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -3.6 | 175.1 | -55.3 | -173.8 | -176 | -165.1 | -1.5 | 114.1 | S350 S352 S445 T446 F449 | S350-R354 VanDerWaalsContact O-CB 3.25Å; S350-R354 WeakPolarHBondContact O-CB 3.38Å; S350-R354 PolarHBondContact O-N 3Å; S350-R354 VanDerWaalsContact O-N 3.08Å; S350-R354 PolarHBondContact OG-NE 3.04Å; S352-R354 PolarHBondContact O-N 3.04Å; S352-R354 VanDerWaalsContact O-N 3.12Å; R354-S445 WeakPolarHBondContact CD-O 3.47Å; R354-S445 PolarHBondContact NH1-O 3.17Å; R354-T446 WeakPolarHBondContact CD-O 3.42Å; R354-F449 WeakPolarHBondContact O-CB 3.37Å |
| 355 | F | 97.4 | Very high | 97.6 | Very high | 43 Ų | 43 | 22.4 Ų | 22.4 | 19% | 0.189 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | -25.2 | -174.1 | -69.9 | -90.2 | 0 | 0 | 0 | 113.6 | S350 S352 Y442 S445 F548 | S350-F355 WeakPolarHBondContact O-CD2 3.48Å; S352-F355 PolarHBondContact O-N 3.45Å; F355-Y442 HydrophobicContact CB-CE2 4.48Å; F355-Y442 HydrophobicContact CD1-CE1 4.39Å; F355-Y442 HydrophobicContact CD1-CE2 4.48Å; F355-Y442 WeakPolarHBondContact O-CE2 3.46Å; F355-Y442 VanDerWaalsContact O-CZ 3.31Å; F355-Y442 PolarHBondContact O-OH 3.4Å; F355-S445 WeakPolarHBondContact CE2-OG 3.22Å; F355-F548 WeakPolarHBondContact O-CE2 3.3Å; F355-F548 VanDerWaalsContact O-CZ 3.29Å; F355-F548 WeakPolarHBondContact O-CZ 3.42Å |
| 356 | R | 98.1 | Very high | 97.6 | Very high | 122 Ų | 122 | 21 Ų | 21 | 46% | 0.46 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -156.6 | 176.6 | -176.4 | 62.2 | -175.6 | 112.9 | 84.2 | 8.3 | 110.5 | Q351 S352 C358 F449 Q451 F548 | Q351-R356 PolarHBondContact O-NH2 2.99Å; S352-R356 PolarHBondContact O-N 2.82Å; S352-R356 PolarHBondContact OG-NH1 2.88Å; R356-C358 PolarHBondContact O-N 3.35Å; R356-F449 WeakPolarHBondContact O-CE1 3.42Å; R356-Q451 PolarHBondContact O-NE2 2.98Å; R356-F548 HydrophobicContact CB-CE2 4.3Å |
| 357 | E | 98.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 21 Ų | 21 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | trans | -56.6 | 129.1 | 169 | -171 | 177.8 | 164.2 | 0 | 0 | 110.3 | N362 V542 E543 G544 R545 I546 | E357-N362 PolarHBondContact OE1-ND2 3.49Å; E357-V542 HydrophobicContact CB-CG1 4.03Å; E357-V542 HydrophobicContact CG-CG1 4Å; E357-E543 PolarHBondContact OE1-N 2.87Å; E357-G544 PolarHBondContact OE1-N 3.39Å; E357-G544 VanDerWaalsContact OE2-C 3.29Å; E357-G544 WeakPolarHBondContact OE2-CA 3.13Å; E357-G544 PolarHBondContact OE2-N 2.76Å; E357-R545 PolarHBondContact OE1-N 2.84Å; E357-R545 PolarHBondContact OE2-N 2.93Å; E357-I546 HydrophobicContact CB-CB 4.14Å; E357-I546 HydrophobicContact CB-CD1 4.3Å; E357-I546 HydrophobicContact CB-CG1 4.48Å; E357-I546 PolarHBondContact OE2-N 2.79Å | ||
| 358 | C | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | trans | -123.1 | 141.5 | 173.6 | 73.7 | 0 | 0 | 0 | 0 | 109.9 | D347 C353 R356 M360 G361 N362 Q451 | D347-C358 WeakPolarHBondContact O-CB 3.25Å; C353-C358 WeakPolarHBondContact CA-SG 3.27Å; C353-C358 HydrophobicContact CB-CB 4Å; C353-C358 WeakPolarHBondContact CB-SG 3.39Å; C353-C358 WeakPolarHBondContact SG-CB 3.39Å; C353-C358 CovalentContact SG-SG 2.04Å; C353-C358 PolarHBondContact SG-SG 3.45Å; R356-C358 PolarHBondContact O-N 3.35Å; C358-M360 VanDerWaalsContact C-N 3.27Å; C358-M360 PolarHBondContact O-N 3.47Å; C358-G361 PolarHBondContact O-N 3.19Å; C358-G361 PolarHBondContact SG-N 3.1Å; C358-G361 VanDerWaalsContact SG-N 3.38Å; C358-N362 PolarHBondContact O-N 2.96Å; C358-N362 VanDerWaalsContact O-N 3.12Å; C358-Q451 VanDerWaalsContact SG-CD 3.54Å | ||
| 359 | N | 98.8 | Very high | 97.4 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 8% | 0.08 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70 | -23.8 | -175 | 70.7 | -25.9 | 0 | 0 | 0 | 113.1 | Y345 D347 N362 L363 P540 V542 | Y345-N359 PolarHBondContact O-ND2 3.37Å; D347-N359 WeakPolarHBondContact CB-OD1 3.26Å; D347-N359 PolarHBondContact N-OD1 3.43Å; N359-N362 PolarHBondContact O-N 3.38Å; N359-L363 WeakPolarHBondContact O-CB 3.46Å; N359-L363 PolarHBondContact O-N 3.11Å; N359-P540 HydrophobicContact CB-CB 4.19Å; N359-P540 HydrophobicContact CB-CG 4.29Å; N359-P540 WeakPolarHBondContact CB-O 3.43Å; N359-P540 PolarHBondContact ND2-O 2.01Å; N359-P540 WeakPolarHBondContact O-CB 3.26Å; N359-V542 HydrophobicContact CB-CG2 4.35Å |
| 360 | M | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 168.6 | -176.6 | 63.9 | 84.7 | 0 | 0 | 111.3 | L346 D347 C358 L363 I364 I394 I398 V414 | L346-M360 HydrophobicContact CB-CE 3.38Å; L346-M360 HydrophobicContact CB-SD 4.25Å; L346-M360 HydrophobicContact CD1-CE 4.08Å; L346-M360 HydrophobicContact CG-CE 4.36Å; D347-M360 VanDerWaalsContact O-CB 3.27Å; D347-M360 WeakPolarHBondContact O-CB 3.13Å; C358-M360 VanDerWaalsContact C-N 3.27Å; C358-M360 PolarHBondContact O-N 3.47Å; M360-L363 WeakPolarHBondContact O-CB 3.07Å; M360-L363 PolarHBondContact O-N 2.99Å; M360-L363 HydrophobicContact SD-CD2 4.13Å; M360-I364 HydrophobicContact CG-CD1 3.89Å; M360-I364 WeakPolarHBondContact O-CD1 3.34Å; M360-I364 VanDerWaalsContact O-CG1 3.28Å; M360-I364 WeakPolarHBondContact O-CG1 3.43Å; M360-I364 PolarHBondContact O-N 2.95Å; M360-I364 HydrophobicContact SD-CD1 4.23Å; M360-I364 HydrophobicContact SD-CG1 4.45Å; M360-I394 HydrophobicContact CB-CG2 4.35Å; M360-I394 HydrophobicContact CG-CG2 3.65Å; M360-I398 HydrophobicContact CE-CB 4.39Å; M360-I398 HydrophobicContact CE-CD1 4.01Å; M360-I398 HydrophobicContact CE-CG1 3.91Å; M360-V414 HydrophobicContact CE-CG1 4.11Å; M360-V414 HydrophobicContact CE-CG2 3.77Å; M360-V414 HydrophobicContact CG-CG1 4.04Å; M360-V414 HydrophobicContact SD-CG1 3.92Å; M360-V414 HydrophobicContact SD-CG2 4.48Å |
| 361 | G | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C358 I364 C365 | C358-G361 PolarHBondContact O-N 3.19Å; C358-G361 PolarHBondContact SG-N 3.1Å; C358-G361 VanDerWaalsContact SG-N 3.38Å; G361-I364 PolarHBondContact O-N 2.69Å; G361-C365 PolarHBondContact O-N 2.62Å |
| 362 | N | 98.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.5 | -48.4 | 174.8 | -68.4 | -5.7 | 0 | 0 | 0 | 111.6 | E357 C358 N359 I364 C365 D366 A541 R545 | E357-N362 PolarHBondContact OE1-ND2 3.49Å; C358-N362 PolarHBondContact O-N 2.96Å; C358-N362 VanDerWaalsContact O-N 3.12Å; N359-N362 PolarHBondContact O-N 3.38Å; N362-I364 PolarHBondContact O-N 2.99Å; N362-C365 PolarHBondContact O-N 3.46Å; N362-D366 WeakPolarHBondContact O-CB 3.47Å; N362-D366 PolarHBondContact O-N 2.97Å; N362-A541 PolarHBondContact ND2-O 2.71Å; N362-R545 WeakPolarHBondContact OD1-CD 3.38Å |
| 363 | L | 98.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.2 | -48.9 | 177.2 | 174.1 | 65.4 | 0 | 0 | 0 | 112.3 | L346 N359 M360 D366 A367 Y531 I538 P540 | L346-L363 HydrophobicContact CD1-CD2 3.98Å; L346-L363 HydrophobicContact CD2-CD2 4.24Å; N359-L363 WeakPolarHBondContact O-CB 3.46Å; N359-L363 PolarHBondContact O-N 3.11Å; M360-L363 WeakPolarHBondContact O-CB 3.07Å; M360-L363 PolarHBondContact O-N 2.99Å; M360-L363 HydrophobicContact SD-CD2 4.13Å; L363-D366 PolarHBondContact O-N 3.22Å; L363-A367 WeakPolarHBondContact O-CB 3.01Å; L363-A367 PolarHBondContact O-N 3.19Å; L363-Y531 HydrophobicContact CD1-CD1 3.86Å; L363-Y531 HydrophobicContact CD1-CE1 3.6Å; L363-I538 HydrophobicContact CD1-CB 4.48Å; L363-I538 HydrophobicContact CD1-CD1 3.89Å; L363-I538 HydrophobicContact CD1-CG2 4.43Å; L363-I538 HydrophobicContact CD2-CD1 3.59Å; L363-I538 HydrophobicContact CG-CD1 4.4Å; L363-P540 HydrophobicContact CB-CB 4.06Å; L363-P540 HydrophobicContact CB-CG 4Å |
| 364 | I | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -44.9 | -177.2 | -63.3 | 162.3 | 0 | 0 | 0 | 109.9 | M360 G361 N362 D366 A367 M368 L389 I394 V414 L415 F421 V528 | M360-I364 HydrophobicContact CG-CD1 3.89Å; M360-I364 WeakPolarHBondContact O-CD1 3.34Å; M360-I364 VanDerWaalsContact O-CG1 3.28Å; M360-I364 WeakPolarHBondContact O-CG1 3.43Å; M360-I364 PolarHBondContact O-N 2.95Å; M360-I364 HydrophobicContact SD-CD1 4.23Å; M360-I364 HydrophobicContact SD-CG1 4.45Å; G361-I364 PolarHBondContact O-N 2.69Å; N362-I364 PolarHBondContact O-N 2.99Å; I364-D366 VanDerWaalsContact C-N 3.34Å; I364-D366 PolarHBondContact O-N 3.31Å; I364-A367 WeakPolarHBondContact O-CB 3.19Å; I364-A367 PolarHBondContact O-N 3.35Å; I364-M368 HydrophobicContact CG2-CG 4.47Å; I364-M368 HydrophobicContact CG2-SD 3.94Å; I364-M368 VanDerWaalsContact O-CG 3.27Å; I364-M368 WeakPolarHBondContact O-CG 3.49Å; I364-M368 PolarHBondContact O-N 2.89Å; I364-L389 HydrophobicContact CB-CD2 3.7Å; I364-L389 HydrophobicContact CD1-CD2 3.9Å; I364-L389 HydrophobicContact CG1-CD2 4.42Å; I364-L389 HydrophobicContact CG2-CD2 3.54Å; I364-I394 HydrophobicContact CD1-CD1 4.21Å; I364-I394 HydrophobicContact CD1-CG1 4Å; I364-V414 HydrophobicContact CD1-CG1 4.08Å; I364-L415 HydrophobicContact CD1-CD2 4.33Å; I364-F421 HydrophobicContact CG2-CE1 4.35Å; I364-F421 HydrophobicContact CG2-CE2 4.05Å; I364-F421 HydrophobicContact CG2-CZ 3.56Å; I364-V528 HydrophobicContact CB-CG2 4.45Å; I364-V528 HydrophobicContact CG1-CG2 4.19Å; I364-V528 HydrophobicContact CG2-CG2 4.01Å |
| 365 | C | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 177.3 | -94.7 | 0 | 0 | 0 | 0 | 113.1 | G361 N362 A367 M368 I369 C387 | G361-C365 PolarHBondContact O-N 2.62Å; N362-C365 PolarHBondContact O-N 3.46Å; C365-A367 VanDerWaalsContact C-N 3.35Å; C365-M368 WeakPolarHBondContact O-CB 3.48Å; C365-M368 PolarHBondContact O-N 3.36Å; C365-I369 WeakPolarHBondContact O-CG1 3.35Å; C365-I369 PolarHBondContact O-N 3.16Å; C365-C387 WeakPolarHBondContact CA-SG 3.5Å; C365-C387 HydrophobicContact CB-CB 3.56Å; C365-C387 WeakPolarHBondContact CB-SG 3.38Å; C365-C387 WeakPolarHBondContact SG-CB 3.44Å; C365-C387 CovalentContact SG-SG 2.05Å; C365-C387 PolarHBondContact SG-SG 3.29Å |
| 366 | D | 98.6 | Very high | 91 | Very high | 44 Ų | 44 | 39.9 Ų | 39.9 | 24% | 0.235 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.6 | -38 | 175.2 | -67.2 | -8.5 | 0 | 0 | 0 | 111 | N362 L363 I364 I369 N370 R545 | N362-D366 WeakPolarHBondContact O-CB 3.47Å; N362-D366 PolarHBondContact O-N 2.97Å; L363-D366 PolarHBondContact O-N 3.22Å; I364-D366 VanDerWaalsContact C-N 3.34Å; I364-D366 PolarHBondContact O-N 3.31Å; D366-I369 PolarHBondContact O-N 2.88Å; D366-N370 VanDerWaalsContact O-CB 3.29Å; D366-N370 WeakPolarHBondContact O-CB 3.42Å; D366-N370 PolarHBondContact O-N 3Å; D366-R545 IonicContact OD1-CZ 3.61Å; D366-R545 IonicContact OD1-NH1 3.84Å; D366-R545 PolarHBondContact OD1-NH1 3.36Å; D366-R545 IonicContact OD1-NH2 3.91Å; D366-R545 PolarHBondContact OD1-NH2 2.9Å; D366-R545 VanDerWaalsContact OD1-NH2 3.16Å; D366-R545 IonicContact OD2-CZ 3.24Å; D366-R545 IonicContact OD2-NH1 3.28Å; D366-R545 IonicContact OD2-NH2 2.62Å; D366-R545 PolarHBondContact OD2-NH2 2.97Å |
| 367 | A | 98.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | L363 I364 C365 I369 N370 N371 V527 V528 Y531 | L363-A367 WeakPolarHBondContact O-CB 3.01Å; L363-A367 PolarHBondContact O-N 3.19Å; I364-A367 WeakPolarHBondContact O-CB 3.19Å; I364-A367 PolarHBondContact O-N 3.35Å; C365-A367 VanDerWaalsContact C-N 3.35Å; A367-I369 PolarHBondContact O-N 3.18Å; A367-N370 PolarHBondContact O-N 3.08Å; A367-N371 WeakPolarHBondContact O-CB 3.32Å; A367-N371 PolarHBondContact O-N 3.08Å; A367-V527 HydrophobicContact CB-CG1 4.31Å; A367-V528 HydrophobicContact CB-CG2 4.34Å; A367-Y531 VanDerWaalsContact CB-CB 3.45Å; A367-Y531 HydrophobicContact CB-CD1 3.91Å; A367-Y531 HydrophobicContact CB-CD2 4.15Å; A367-Y531 HydrophobicContact CB-CG 3.57Å |
| 368 | M | 96.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.1 | -48.5 | 175.1 | -73.8 | 165.3 | 69.7 | 0 | 0 | 111.6 | I364 C365 N372 C387 F421 I496 V527 | I364-M368 HydrophobicContact CG2-CG 4.47Å; I364-M368 HydrophobicContact CG2-SD 3.94Å; I364-M368 VanDerWaalsContact O-CG 3.27Å; I364-M368 WeakPolarHBondContact O-CG 3.49Å; I364-M368 PolarHBondContact O-N 2.89Å; C365-M368 WeakPolarHBondContact O-CB 3.48Å; C365-M368 PolarHBondContact O-N 3.36Å; M368-N372 PolarHBondContact O-N 3.25Å; M368-N372 PolarHBondContact O-ND2 2.92Å; M368-C387 WeakPolarHBondContact CE-SG 3.38Å; M368-C387 PolarHBondContact SD-SG 3.11Å; M368-F421 HydrophobicContact CE-CB 4Å; M368-F421 HydrophobicContact CE-CD1 3.62Å; M368-F421 HydrophobicContact CE-CE1 4.22Å; M368-F421 HydrophobicContact CE-CG 3.83Å; M368-F421 HydrophobicContact CG-CB 4.04Å; M368-F421 HydrophobicContact CG-CD1 4.05Å; M368-F421 HydrophobicContact CG-CD2 3.33Å; M368-F421 HydrophobicContact CG-CE1 4.34Å; M368-F421 HydrophobicContact CG-CE2 3.64Å; M368-F421 HydrophobicContact CG-CG 3.55Å; M368-F421 HydrophobicContact CG-CZ 4.15Å; M368-F421 HydrophobicContact SD-CD1 3.65Å; M368-F421 HydrophobicContact SD-CD2 4.02Å; M368-F421 HydrophobicContact SD-CE1 3.72Å; M368-F421 HydrophobicContact SD-CE2 4.05Å; M368-F421 HydrophobicContact SD-CG 3.82Å; M368-F421 HydrophobicContact SD-CZ 3.92Å; M368-I496 HydrophobicContact CB-CB 4.49Å; M368-I496 HydrophobicContact CB-CD1 4.48Å; M368-I496 HydrophobicContact CB-CG2 4.08Å; M368-I496 HydrophobicContact CE-CB 4.03Å; M368-I496 HydrophobicContact CE-CG2 3.61Å; M368-I496 VanDerWaalsContact O-CD1 3.3Å; M368-I496 WeakPolarHBondContact O-CD1 3.26Å; M368-V527 HydrophobicContact CG-CG1 4.36Å |
| 369 | I | 94.8 | Very high | 85.9 | Confident | 24 Ų | 24 | 52.1 Ų | 52.1 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 176.9 | -66.5 | 165 | 0 | 0 | 0 | 110.4 | C365 D366 A367 N371 N372 L373 C387 I496 | C365-I369 WeakPolarHBondContact O-CG1 3.35Å; C365-I369 PolarHBondContact O-N 3.16Å; D366-I369 PolarHBondContact O-N 2.88Å; A367-I369 PolarHBondContact O-N 3.18Å; I369-N371 VanDerWaalsContact C-N 3.34Å; I369-N371 PolarHBondContact O-N 3.31Å; I369-N372 CarbonylContact O-C 3.53Å; I369-N372 PolarHBondContact O-N 3.37Å; I369-N372 VanDerWaalsContact O-N 3.14Å; I369-L373 HydrophobicContact CG2-CD2 4.5Å; I369-L373 PolarHBondContact O-N 3.43Å; I369-C387 HydrophobicContact CD1-CB 4.07Å; I369-C387 HydrophobicContact CG1-CB 4.05Å; I369-I496 HydrophobicContact CG1-CD1 4.3Å |
| 370 | N | 94.4 | Very high | 84.7 | Confident | 37 Ų | 37 | 54.1 Ų | 54.1 | 20% | 0.198 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.1 | -42.2 | -178.9 | -161.2 | -95.9 | 0 | 0 | 0 | 112.7 | D366 A367 N372 L373 Y531 K534 | D366-N370 VanDerWaalsContact O-CB 3.29Å; D366-N370 WeakPolarHBondContact O-CB 3.42Å; D366-N370 PolarHBondContact O-N 3Å; A367-N370 PolarHBondContact O-N 3.08Å; N370-N372 VanDerWaalsContact C-N 3.25Å; N370-N372 PolarHBondContact O-N 2.8Å; N370-L373 WeakPolarHBondContact O-CB 3.32Å; N370-L373 WeakPolarHBondContact O-CG 3.34Å; N370-L373 PolarHBondContact O-N 2.85Å; N370-Y531 HydrophobicContact CB-CD2 3.57Å; N370-Y531 HydrophobicContact CB-CE2 3.75Å; N370-K534 PolarHBondContact OD1-NZ 3.42Å |
| 371 | N | 88.6 | Confident | 83.6 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.5 | -29.1 | 178.9 | -172.6 | 79.4 | 0 | 0 | 0 | 112.5 | A367 I369 D522 V527 | A367-N371 WeakPolarHBondContact O-CB 3.32Å; A367-N371 PolarHBondContact O-N 3.08Å; I369-N371 VanDerWaalsContact C-N 3.34Å; I369-N371 PolarHBondContact O-N 3.31Å; N371-D522 PolarHBondContact ND2-OD2 2.73Å; N371-V527 HydrophobicContact CB-CG1 3.8Å; N371-V527 HydrophobicContact CB-CG2 4.33Å |
| 372 | N | 84.1 | Confident | 82.6 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 11.9 | -179.5 | -77 | -84.3 | 0 | 0 | 0 | 113.7 | M368 I369 N370 R374 N382 I496 | M368-N372 PolarHBondContact O-N 3.25Å; M368-N372 PolarHBondContact O-ND2 2.92Å; I369-N372 CarbonylContact O-C 3.53Å; I369-N372 PolarHBondContact O-N 3.37Å; I369-N372 VanDerWaalsContact O-N 3.14Å; N370-N372 VanDerWaalsContact C-N 3.25Å; N370-N372 PolarHBondContact O-N 2.8Å; N372-R374 PolarHBondContact O-N 3.36Å; N372-N382 PolarHBondContact O-ND2 3.11Å; N372-I496 HydrophobicContact CB-CD1 3.54Å |
| 373 | L | 82 | Confident | 81.6 | Confident | 83 Ų | 83 | 60 Ų | 60 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | trans | -66.1 | 114.9 | 168.1 | -63.2 | 178.7 | 0 | 0 | 0 | 108.9 | I369 N370 W381 N382 | I369-L373 HydrophobicContact CG2-CD2 4.5Å; I369-L373 PolarHBondContact O-N 3.43Å; N370-L373 WeakPolarHBondContact O-CB 3.32Å; N370-L373 WeakPolarHBondContact O-CG 3.34Å; N370-L373 PolarHBondContact O-N 2.85Å; L373-W381 HydrophobicContact CD2-CZ3 4.42Å; L373-N382 HydrophobicContact CD2-CB 4.38Å; L373-N382 WeakPolarHBondContact CD2-ND2 3.29Å | ||
| 374 | R | 72.7 | Confident | 80.9 | Confident | 187 Ų | 187 | 60 Ų | 60 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | trans | -114.7 | 171.3 | 174.3 | -62.9 | -166.1 | -177.2 | -133.5 | 1.3 | 110.2 | N372 A376 N382 | N372-R374 PolarHBondContact O-N 3.36Å; R374-A376 PolarHBondContact O-N 3.42Å; R374-A376 VanDerWaalsContact O-N 3.14Å; R374-N382 PolarHBondContact N-OD1 2.84Å; R374-N382 VanDerWaalsContact N-OD1 3.14Å | ||
| 375 | H | 55 | Low | 80.7 | Confident | 182 Ų | 182 | 60.1 Ų | 60.1 | 84% | 0.843 | 29% | 0.291 | S | S | * | . | trans | -54 | 122.5 | 175.7 | -72.9 | -58.6 | 0 | 0 | 0 | 110.8 | H383 | H375-H383 PolarHBondContact O-CE1 3.47Š| ||
| 376 | A | 60.1 | Low | 80.6 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | trans | -64 | 149.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R374 F380 W381 | R374-A376 PolarHBondContact O-N 3.42Å; R374-A376 VanDerWaalsContact O-N 3.14Å; A376-F380 WeakPolarHBondContact CA-O 3.44Å; A376-F380 VanDerWaalsContact CB-O 3.3Å; A376-F380 WeakPolarHBondContact CB-O 3.38Å; A376-W381 WeakPolarHBondContact CB-O 3.3Å | ||
| 377 | D | 57.5 | Low | 80.6 | Confident | 68 Ų | 68 | 58.2 Ų | 58.2 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -108.9 | -179.8 | 167.4 | 67.7 | 32.5 | 0 | 0 | 0 | 110.2 | M379 F380 H383 | D377-M379 PolarHBondContact O-N 2.91Å; D377-M379 VanDerWaalsContact O-N 3.12Å; D377-M379 WeakPolarHBondContact OD1-CA 3.32Å; D377-M379 WeakPolarHBondContact OD1-CB 3.32Å; D377-M379 PolarHBondContact OD1-N 2.87Å; D377-F380 PolarHBondContact N-O 3.46Å; D377-F380 PolarHBondContact O-N 3.01Å; D377-F380 WeakPolarHBondContact OD1-CD2 3.4Å; D377-F380 PolarHBondContact OD1-N 3.45Å; D377-H383 IonicContact OD2-NE2 3.9Å | ||
| 378 | E | 62.9 | Low | 80.7 | Confident | 203 Ų | 203 | 58.2 Ų | 58.2 | 95% | 0.949 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -61.1 | -20.9 | -178.8 | -68.4 | -172.8 | 170.7 | 0 | 0 | 113.7 | ||
| 379 | M | 67.2 | Low | 80.8 | Confident | 117 Ų | 117 | 58.3 Ų | 58.3 | 58% | 0.576 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -101.7 | -26.2 | -175.6 | -72.2 | -171.6 | -78 | 0 | 0 | 113.9 | D377 K478 | D377-M379 PolarHBondContact O-N 2.91Å; D377-M379 VanDerWaalsContact O-N 3.12Å; D377-M379 WeakPolarHBondContact OD1-CA 3.32Å; D377-M379 WeakPolarHBondContact OD1-CB 3.32Å; D377-M379 PolarHBondContact OD1-N 2.87Å; M379-K478 WeakPolarHBondContact O-CA 3.44Å |
| 380 | F | 73.3 | Confident | 80.9 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 25% | 0.25 | 28% | 0.276 | C | S | . | . | trans | -130.3 | 125.6 | -172.5 | -62.9 | -89.6 | 0 | 0 | 0 | 111.9 | A376 D377 N382 T477 K478 | A376-F380 WeakPolarHBondContact CA-O 3.44Å; A376-F380 VanDerWaalsContact CB-O 3.3Å; A376-F380 WeakPolarHBondContact CB-O 3.38Å; D377-F380 PolarHBondContact N-O 3.46Å; D377-F380 PolarHBondContact O-N 3.01Å; D377-F380 WeakPolarHBondContact OD1-CD2 3.4Å; D377-F380 PolarHBondContact OD1-N 3.45Å; F380-N382 VanDerWaalsContact C-N 3.29Å; F380-N382 PolarHBondContact O-N 3.26Å; F380-T477 WeakPolarHBondContact CA-O 3.5Å; F380-K478 HydrophobicContact CD1-CB 4Å; F380-K478 HydrophobicContact CD1-CG 4.47Å; F380-K478 HydrophobicContact CE1-CB 3.57Å; F380-K478 HydrophobicContact CE1-CD 4.47Å; F380-K478 HydrophobicContact CE1-CG 3.99Å; F380-K478 HydrophobicContact CZ-CB 4.16Å; F380-K478 HydrophobicContact CZ-CD 4.22Å; F380-K478 HydrophobicContact CZ-CG 4.08Å | ||
| 381 | W | 74.8 | Confident | 81.1 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 25% | 0.254 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -69.4 | -28.5 | 174 | 67.6 | -94.5 | 0 | 0 | 0 | 112.7 | L373 A376 S385 L475 C476 T477 C479 P482 | L373-W381 HydrophobicContact CD2-CZ3 4.42Å; A376-W381 WeakPolarHBondContact CB-O 3.3Å; W381-S385 VanDerWaalsContact CZ2-CB 3.47Å; W381-L475 HydrophobicContact CH2-CD2 4.1Å; W381-L475 HydrophobicContact CZ2-CD2 3.79Å; W381-L475 HydrophobicContact CZ2-CG 4.31Å; W381-C476 PolarHBondContact NE1-O 3.19Å; W381-T477 PolarHBondContact N-O 3.44Å; W381-C479 VanDerWaalsContact CD1-O 3.25Å; W381-P482 HydrophobicContact CD2-CG 3.73Å; W381-P482 HydrophobicContact CE3-CG 4.31Å; W381-P482 HydrophobicContact CG-CG 3.99Å; W381-P482 HydrophobicContact CZ2-CB 3.99Å; W381-P482 HydrophobicContact CZ2-CG 3.97Å |
| 382 | N | 79 | Confident | 81.4 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.011 | 26% | 0.258 | C | S | . | . | trans | -156.1 | 157.6 | 163.8 | -170.3 | 28 | 0 | 0 | 0 | 109 | N372 L373 R374 F380 V384 T477 | N372-N382 PolarHBondContact O-ND2 3.11Å; L373-N382 HydrophobicContact CD2-CB 4.38Å; L373-N382 WeakPolarHBondContact CD2-ND2 3.29Å; R374-N382 PolarHBondContact N-OD1 2.84Å; R374-N382 VanDerWaalsContact N-OD1 3.14Å; F380-N382 VanDerWaalsContact C-N 3.29Å; F380-N382 PolarHBondContact O-N 3.26Å; N382-V384 VanDerWaalsContact C-N 3.26Å; N382-V384 PolarHBondContact ND2-O 3.42Å; N382-V384 PolarHBondContact O-N 3.39Å; N382-T477 WeakPolarHBondContact O-CB 3.49Å | ||
| 383 | H | 76.6 | Confident | 82 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 27% | 0.269 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -75.6 | -16.6 | 179.5 | -67.3 | 81.2 | 0 | 0 | 0 | 113 | H375 D377 K494 | H375-H383 PolarHBondContact O-CE1 3.47Å; D377-H383 IonicContact OD2-NE2 3.9Å; H383-K494 WeakPolarHBondContact O-CD 3.49Å |
| 384 | V | 85.6 | Confident | 82.7 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | trans | -144 | 133.5 | -177.3 | -169 | 0 | 0 | 0 | 0 | 110 | N382 L423 K494 I496 | N382-V384 VanDerWaalsContact C-N 3.26Å; N382-V384 PolarHBondContact ND2-O 3.42Å; N382-V384 PolarHBondContact O-N 3.39Å; V384-L423 HydrophobicContact CB-CD1 4.39Å; V384-L423 HydrophobicContact CG1-CD1 3.95Å; V384-L423 HydrophobicContact CG2-CD1 3.5Å; V384-L423 VanDerWaalsContact CG2-CD1 3.5Å; V384-L423 HydrophobicContact CG2-CD2 4.03Å; V384-L423 HydrophobicContact CG2-CG 4.43Å; V384-K494 HydrophobicContact CG1-CB 4.4Å; V384-K494 HydrophobicContact CG2-CB 4.07Å; V384-K494 HydrophobicContact CG2-CD 4.46Å; V384-I496 HydrophobicContact CB-CD1 4.47Å; V384-I496 HydrophobicContact CB-CG1 4.49Å; V384-I496 HydrophobicContact CG1-CD1 3.77Å; V384-I496 HydrophobicContact CG1-CG1 3.45Å; V384-I496 VanDerWaalsContact CG1-CG1 3.45Å | ||
| 385 | S | 93.6 | Very high | 83.7 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | trans | -128.8 | -4.6 | -178.8 | 58 | 0 | 0 | 0 | 0 | 113.3 | W381 G454 L475 T477 | W381-S385 VanDerWaalsContact CZ2-CB 3.47Å; S385-G454 WeakPolarHBondContact O-CA 3.43Å; S385-L475 PolarHBondContact OG-O 3.18Å; S385-T477 VanDerWaalsContact OG-CG2 3.26Å; S385-T477 WeakPolarHBondContact OG-CG2 3.48Å | ||
| 386 | M | 97.8 | Very high | 85.7 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 140.5 | -166.4 | -67.5 | 166.2 | 63.9 | 0 | 0 | 111.5 | L431 G453 I455 V474 Y493 V495 I496 | M386-L431 HydrophobicContact CE-CD1 3.75Å; M386-G453 CarbonylContact C-O 3.44Å; M386-G453 WeakPolarHBondContact CA-O 3.24Å; M386-I455 HydrophobicContact CB-CD1 4.22Å; M386-I455 HydrophobicContact CB-CG1 4.2Å; M386-I455 HydrophobicContact CE-CD1 3.62Å; M386-I455 HydrophobicContact CE-CG1 3.83Å; M386-I455 HydrophobicContact CG-CD1 4.42Å; M386-I455 HydrophobicContact CG-CG1 3.99Å; M386-V474 HydrophobicContact CE-CB 3.95Å; M386-V474 HydrophobicContact CE-CG1 3.45Å; M386-V474 VanDerWaalsContact CE-CG1 3.45Å; M386-V474 HydrophobicContact CG-CB 4.41Å; M386-V474 HydrophobicContact SD-CB 3.73Å; M386-V474 HydrophobicContact SD-CG1 3.96Å; M386-V474 HydrophobicContact SD-CG2 4.31Å; M386-Y493 HydrophobicContact SD-CD1 3.88Å; M386-Y493 HydrophobicContact SD-CG 4.32Å; M386-V495 HydrophobicContact CB-CG1 4.41Å; M386-V495 HydrophobicContact CB-CG2 4.14Å; M386-V495 HydrophobicContact CE-CG2 3.84Å; M386-V495 HydrophobicContact SD-CG2 4.38Å; M386-I496 PolarHBondContact O-N 2.64Å |
| 387 | C | 98.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.1 | 171.5 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | C365 M368 I369 V452 G453 I496 | C365-C387 WeakPolarHBondContact CA-SG 3.5Å; C365-C387 HydrophobicContact CB-CB 3.56Å; C365-C387 WeakPolarHBondContact CB-SG 3.38Å; C365-C387 WeakPolarHBondContact SG-CB 3.44Å; C365-C387 CovalentContact SG-SG 2.05Å; C365-C387 PolarHBondContact SG-SG 3.29Å; M368-C387 WeakPolarHBondContact CE-SG 3.38Å; M368-C387 PolarHBondContact SD-SG 3.11Å; I369-C387 HydrophobicContact CD1-CB 4.07Å; I369-C387 HydrophobicContact CG1-CB 4.05Å; C387-V452 WeakPolarHBondContact O-CA 3.36Å; C387-G453 PolarHBondContact N-O 3.02Å; C387-G453 PolarHBondContact O-N 3.11Å; C387-I496 VanDerWaalsContact CA-O 3.28Å; C387-I496 WeakPolarHBondContact CA-O 3.04Å |
| 388 | I | 98.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140.7 | 163.2 | 63.9 | 177.9 | 0 | 0 | 0 | 109.7 | F435 L450 Q451 V452 I455 V495 I496 L497 P498 I511 | I388-F435 HydrophobicContact CG2-CE2 4.25Å; I388-F435 HydrophobicContact CG2-CZ 3.75Å; I388-L450 HydrophobicContact CB-CD1 4.32Å; I388-L450 HydrophobicContact CB-CD2 4.23Å; I388-L450 HydrophobicContact CD1-CD1 4.3Å; I388-L450 HydrophobicContact CG2-CD1 4.41Å; I388-Q451 WeakPolarHBondContact CA-O 3.32Å; I388-V452 HydrophobicContact CG2-CG1 4.36Å; I388-I455 HydrophobicContact CG2-CD1 3.68Å; I388-V495 HydrophobicContact CD1-CG1 4.34Å; I388-V495 HydrophobicContact CG1-CG1 3.93Å; I388-V495 HydrophobicContact CG2-CG1 4.24Å; I388-I496 PolarHBondContact N-O 3.12Å; I388-L497 HydrophobicContact CD1-CB 4.37Å; I388-L497 HydrophobicContact CD1-CD1 4.22Å; I388-L497 HydrophobicContact CG1-CB 3.68Å; I388-L497 HydrophobicContact CG1-CD1 4.43Å; I388-L497 WeakPolarHBondContact O-CA 3.29Å; I388-P498 WeakPolarHBondContact O-CD 3.31Å; I388-I511 HydrophobicContact CD1-CD1 4.1Å |
| 389 | L | 98.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 121.8 | -178.9 | 170.5 | 64.1 | 0 | 0 | 0 | 108.8 | I364 I394 L450 Q451 P498 | I364-L389 HydrophobicContact CB-CD2 3.7Å; I364-L389 HydrophobicContact CD1-CD2 3.9Å; I364-L389 HydrophobicContact CG1-CD2 4.42Å; I364-L389 HydrophobicContact CG2-CD2 3.54Å; L389-I394 HydrophobicContact CD2-CD1 3.82Å; L389-I394 HydrophobicContact CD2-CG1 3.94Å; L389-I394 HydrophobicContact CG-CD1 4.41Å; L389-I394 HydrophobicContact CG-CG1 4.39Å; L389-L450 CarbonylContact O-C 3.53Å; L389-L450 WeakPolarHBondContact O-CA 3.48Å; L389-Q451 HydrophobicContact CB-CB 4.33Å; L389-Q451 PolarHBondContact N-O 2.96Å; L389-Q451 PolarHBondContact O-N 3.01Å; L389-P498 HydrophobicContact CD1-CG 3.47Å; L389-P498 VanDerWaalsContact CD1-CG 3.47Å |
| 390 | N | 98.4 | Very high | 92 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 133.2 | 175.8 | 61.7 | -54.4 | 0 | 0 | 0 | 110.6 | G392 G393 F449 L450 L501 D506 | N390-G392 PolarHBondContact O-N 3.12Å; N390-G393 PolarHBondContact ND2-N 2.97Å; N390-G393 WeakPolarHBondContact O-CA 3.41Å; N390-G393 PolarHBondContact O-N 3.32Å; N390-F449 CarbonylContact C-O 3.46Å; N390-L450 HydrophobicContact CB-CD2 4.37Å; N390-L501 HydrophobicContact CB-CD1 4.06Å; N390-L501 HydrophobicContact CB-CD2 3.93Å; N390-L501 HydrophobicContact CB-CG 4.36Å; N390-D506 PolarHBondContact ND2-OD2 3.33Å |
| 391 | G | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -62.1 | -25.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C353 G393 I394 G447 F449 | C353-G391 WeakPolarHBondContact O-CA 3.43Å; G391-G393 PolarHBondContact O-N 3.42Å; G391-I394 PolarHBondContact O-N 3.33Å; G391-I394 VanDerWaalsContact O-N 3.17Å; G391-G447 PolarHBondContact N-O 3.44Å; G391-F449 PolarHBondContact N-O 2.9Å |
| 392 | G | 94.6 | Very high | 93.1 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 9% | 0.093 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -61.1 | -26.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N390 I394 R395 G447 | N390-G392 PolarHBondContact O-N 3.12Å; G392-I394 VanDerWaalsContact C-N 3.29Å; G392-I394 PolarHBondContact O-N 3.28Å; G392-R395 WeakPolarHBondContact O-CD 3.44Å; G392-R395 PolarHBondContact O-NE 2.92Å; G392-G447 PolarHBondContact N-O 2.95Å |
| 393 | G | 95.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 28 Ų | 28 | 9% | 0.093 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -73 | -16.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N390 G391 | N390-G393 PolarHBondContact ND2-N 2.97Å; N390-G393 WeakPolarHBondContact O-CA 3.41Å; N390-G393 PolarHBondContact O-N 3.32Å; G391-G393 PolarHBondContact O-N 3.42Å |
| 394 | I | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -96.6 | 113.5 | 179.5 | -54.1 | 174.2 | 0 | 0 | 0 | 108.6 | C353 M360 I364 L389 G391 G392 V414 Q451 | C353-I394 HydrophobicContact CB-CD1 4.18Å; M360-I394 HydrophobicContact CB-CG2 4.35Å; M360-I394 HydrophobicContact CG-CG2 3.65Å; I364-I394 HydrophobicContact CD1-CD1 4.21Å; I364-I394 HydrophobicContact CD1-CG1 4Å; L389-I394 HydrophobicContact CD2-CD1 3.82Å; L389-I394 HydrophobicContact CD2-CG1 3.94Å; L389-I394 HydrophobicContact CG-CD1 4.41Å; L389-I394 HydrophobicContact CG-CG1 4.39Å; G391-I394 PolarHBondContact O-N 3.33Å; G391-I394 VanDerWaalsContact O-N 3.17Å; G392-I394 VanDerWaalsContact C-N 3.29Å; G392-I394 PolarHBondContact O-N 3.28Å; I394-V414 HydrophobicContact CG2-CG1 4.06Å; I394-Q451 HydrophobicContact CD1-CG 3.93Å | ||
| 395 | R | 94.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 26.5 Ų | 26.5 | 15% | 0.147 | 13% | 0.129 | C | C | . | . | trans | -110.6 | -10.6 | -164 | -65.7 | -59.9 | -146.4 | 157.2 | 4.5 | 116.4 | H118 G392 A413 V414 P416 F417 | H118-R395 PolarHBondContact CE1-NH2 3.29Å; H118-R395 PolarHBondContact NE2-NH2 3.3Å; G392-R395 WeakPolarHBondContact O-CD 3.44Å; G392-R395 PolarHBondContact O-NE 2.92Å; R395-A413 CarbonylContact C-O 3.57Å; R395-A413 WeakPolarHBondContact CB-O 3.25Å; R395-V414 WeakPolarHBondContact CB-O 3.48Å; R395-V414 PolarHBondContact N-O 3.18Å; R395-P416 HydrophobicContact CB-CG 3.99Å; R395-P416 HydrophobicContact CG-CG 3.69Å; R395-F417 HydrophobicContact CG-CE2 3.92Å; R395-F417 HydrophobicContact CG-CZ 4.3Å | ||
| 396 | S | 96.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | trans | -153.4 | 146.2 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 110.8 | A413 V414 | S396-A413 WeakPolarHBondContact CB-O 3.49Å; S396-A413 PolarHBondContact N-O 3.24Å; S396-V414 WeakPolarHBondContact O-CG2 3.47Å | ||
| 397 | P | 97.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 5% | 0.045 | 13% | 0.131 | C | C | . | . | trans | -74.4 | 170.9 | 158.5 | 32.1 | -32.6 | 0 | 0 | 0 | 111.7 | D47 S49 Y345 L346 | D47-P397 HydrophobicContact CB-CG 4.08Å; D47-P397 VanDerWaalsContact OD2-CG 3.25Å; D47-P397 WeakPolarHBondContact OD2-CG 3.33Å; S49-P397 WeakPolarHBondContact CB-O 3.35Å; Y345-P397 HydrophobicContact CE1-CB 4.33Å; Y345-P397 HydrophobicContact CE2-CB 4.08Å; Y345-P397 WeakPolarHBondContact OH-CB 3.22Å; Y345-P397 WeakPolarHBondContact OH-CG 3.31Å; L346-P397 WeakPolarHBondContact O-CA 3.21Å; L346-P397 VanDerWaalsContact O-CB 3.3Å; L346-P397 WeakPolarHBondContact O-CB 3.46Å | ||
| 398 | I | 96.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -128.9 | 121.2 | 167.9 | -58.9 | 174.8 | 0 | 0 | 0 | 108.5 | L346 M360 I406 N410 L411 V414 | L346-I398 HydrophobicContact CB-CB 4.16Å; L346-I398 HydrophobicContact CD1-CB 4.09Å; L346-I398 HydrophobicContact CD1-CD1 4.16Å; L346-I398 HydrophobicContact CG-CB 4.48Å; L346-I398 PolarHBondContact N-O 3.04Å; L346-I398 PolarHBondContact O-N 2.91Å; M360-I398 HydrophobicContact CE-CB 4.39Å; M360-I398 HydrophobicContact CE-CD1 4.01Å; M360-I398 HydrophobicContact CE-CG1 3.91Å; I398-I406 HydrophobicContact CD1-CG2 4.22Å; I398-N410 HydrophobicContact CD1-CB 3.86Å; I398-N410 HydrophobicContact CG1-CB 4.18Å; I398-L411 HydrophobicContact CD1-CD2 4.18Å; I398-V414 HydrophobicContact CD1-CG2 3.76Å; I398-V414 HydrophobicContact CG1-CG2 3.87Å |
| 399 | D | 93 | Very high | 93.7 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | trans | -78.2 | 137.3 | 178.3 | -172.4 | -80.2 | 0 | 0 | 0 | 111.3 | R401 N402 | D399-R401 WeakPolarHBondContact OD1-CA 3.37Å; D399-R401 WeakPolarHBondContact OD1-CB 3.37Å; D399-R401 VanDerWaalsContact OD1-CG 3.26Å; D399-R401 WeakPolarHBondContact OD1-CG 3.35Å; D399-R401 PolarHBondContact OD1-N 2.89Å; D399-N402 PolarHBondContact O-OD1 3Å | ||
| 400 | E | 93.3 | Very high | 93.5 | Very high | 52 Ų | 52 | 30.8 Ų | 30.8 | 24% | 0.243 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -89.9 | -7.2 | -176.2 | 78.9 | -67 | 170 | 0 | 0 | 113.9 | T342 Y345 N402 G404 | T342-E400 HydrophobicContact CG2-CB 3.98Å; Y345-E400 WeakPolarHBondContact CA-OE2 3.38Å; Y345-E400 VanDerWaalsContact CB-OE2 3.26Å; Y345-E400 WeakPolarHBondContact CB-OE2 3.48Å; Y345-E400 WeakPolarHBondContact CD2-OE2 3.36Å; Y345-E400 PolarHBondContact N-OE2 2.89Å; E400-N402 VanDerWaalsContact C-N 3.3Å; E400-N402 PolarHBondContact O-N 2.82Å; E400-G404 WeakPolarHBondContact O-CA 3.49Å; E400-G404 PolarHBondContact O-N 3.09Å |
| 401 | R | 89 | Confident | 93.2 | Very high | 182 Ų | 182 | 30.7 Ų | 30.7 | 69% | 0.687 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.9 | -167.9 | -54.4 | 170.5 | 172.8 | -179.1 | -4.2 | 113.1 | D399 N403 | D399-R401 WeakPolarHBondContact OD1-CA 3.37Å; D399-R401 WeakPolarHBondContact OD1-CB 3.37Å; D399-R401 VanDerWaalsContact OD1-CG 3.26Å; D399-R401 WeakPolarHBondContact OD1-CG 3.35Å; D399-R401 PolarHBondContact OD1-N 2.89Å; R401-N403 PolarHBondContact O-N 3.43Å |
| 402 | N | 82.5 | Confident | 92.8 | Very high | 38 Ų | 38 | 31 Ų | 31 | 20% | 0.203 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 43.7 | 171.9 | 68.8 | -15.6 | 0 | 0 | 0 | 112.2 | V52 D399 E400 G404 T405 | V52-N402 HydrophobicContact CB-CB 4.35Å; V52-N402 HydrophobicContact CG1-CB 3.7Å; V52-N402 HydrophobicContact CG2-CB 3.77Å; D399-N402 PolarHBondContact O-OD1 3Å; E400-N402 VanDerWaalsContact C-N 3.3Å; E400-N402 PolarHBondContact O-N 2.82Å; N402-G404 PolarHBondContact O-N 3.43Å; N402-G404 PolarHBondContact OD1-N 3.11Å; N402-T405 PolarHBondContact OD1-N 3.42Å |
| 403 | N | 87.5 | Confident | 92.7 | Very high | 138 Ų | 138 | 31.2 Ų | 31.2 | 74% | 0.738 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 17.1 | -166.8 | -55.5 | -30.6 | 0 | 0 | 0 | 114 | R401 T405 | R401-N403 PolarHBondContact O-N 3.43Å; N403-T405 PolarHBondContact O-N 3.49Å |
| 404 | G | 91.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 8.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K341 T342 E400 N402 I406 | K341-G404 CarbonylContact C-O 3.59Å; K341-G404 WeakPolarHBondContact CA-O 3.26Å; T342-G404 PolarHBondContact N-O 2.98Å; T342-G404 WeakPolarHBondContact O-CA 3.01Å; E400-G404 WeakPolarHBondContact O-CA 3.49Å; E400-G404 PolarHBondContact O-N 3.09Å; N402-G404 PolarHBondContact O-N 3.43Å; N402-G404 PolarHBondContact OD1-N 3.11Å; G404-I406 PolarHBondContact O-N 3.26Å |
| 405 | T | 94.7 | Very high | 92.5 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 18% | 0.184 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 128.7 | -173 | -70.3 | 0 | 0 | 0 | 0 | 111.2 | E338 N402 N403 T407 | E338-T405 HydrophobicContact CB-CG2 4.23Å; E338-T405 HydrophobicContact CG-CG2 3.97Å; E338-T405 PolarHBondContact OE2-OG1 3.22Å; N402-T405 PolarHBondContact OD1-N 3.42Å; N403-T405 PolarHBondContact O-N 3.49Å; T405-T407 HydrophobicContact CG2-CG2 3.96Å |
| 406 | I | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.4 | 175.7 | -52.6 | 176.2 | 0 | 0 | 0 | 108.8 | L339 G340 T342 L346 I398 G404 N410 L411 I532 I538 | L339-I406 PolarHBondContact N-O 3.14Å; G340-I406 PolarHBondContact O-N 2.87Å; T342-I406 HydrophobicContact CG2-CD1 4.3Å; T342-I406 HydrophobicContact CG2-CG1 4.36Å; L346-I406 HydrophobicContact CD1-CD1 4.11Å; I398-I406 HydrophobicContact CD1-CG2 4.22Å; G404-I406 PolarHBondContact O-N 3.26Å; I406-N410 HydrophobicContact CG2-CB 4.38Å; I406-L411 HydrophobicContact CG2-CD2 4.09Å; I406-L411 HydrophobicContact CG2-CG 4.08Å; I406-I532 HydrophobicContact CD1-CD1 4.02Å; I406-I532 HydrophobicContact CD1-CG2 4.05Å; I406-I532 HydrophobicContact CG2-CD1 4.11Å; I406-I538 HydrophobicContact CD1-CD1 3.58Å; I406-I538 HydrophobicContact CD1-CG1 4.2Å |
| 407 | T | 93.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 174 | 175.6 | 72.2 | 0 | 0 | 0 | 0 | 111.8 | Q337 T405 E409 N410 L411 | Q337-T407 WeakPolarHBondContact O-CA 3.41Å; T405-T407 HydrophobicContact CG2-CG2 3.96Å; T407-E409 VanDerWaalsContact C-N 3.29Å; T407-E409 PolarHBondContact O-N 2.77Å; T407-E409 PolarHBondContact OG1-N 2.99Å; T407-N410 PolarHBondContact N-OD1 3.08Å; T407-N410 WeakPolarHBondContact O-CB 3.45Å; T407-N410 PolarHBondContact O-N 2.8Å; T407-N410 PolarHBondContact OG1-N 2.84Å; T407-N410 PolarHBondContact OG1-OD1 3.41Å; T407-N410 VanDerWaalsContact OG1-OD1 3.12Å; T407-L411 PolarHBondContact O-N 3.1Å |
| 408 | W | 89.8 | Confident | 90.7 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 21% | 0.208 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.1 | -41.1 | 173.2 | -163.5 | -93.9 | 0 | 0 | 0 | 112.6 | Y334 L339 N410 L411 A412 I525 N526 S529 | Y334-W408 AromaticContact CD1-CD1 3.64Å; Y334-W408 HydrophobicContact CD1-CG 4.41Å; Y334-W408 WeakPolarHBondContact O-CB 3.39Å; L339-W408 HydrophobicContact CD1-CE3 4.16Å; L339-W408 HydrophobicContact CD2-CE3 4.41Å; W408-N410 VanDerWaalsContact C-N 3.29Å; W408-N410 PolarHBondContact O-N 3.03Å; W408-L411 PolarHBondContact O-N 2.87Å; W408-A412 WeakPolarHBondContact O-CB 3.49Å; W408-A412 PolarHBondContact O-N 3.41Å; W408-I525 HydrophobicContact CD2-CD1 3.91Å; W408-I525 HydrophobicContact CD2-CG1 4.24Å; W408-I525 VanDerWaalsContact CE2-CD1 3.42Å; W408-I525 HydrophobicContact CE3-CG1 4.37Å; W408-I525 HydrophobicContact CG-CD1 4.34Å; W408-I525 HydrophobicContact CH2-CB 4.15Å; W408-I525 HydrophobicContact CH2-CD1 4.22Å; W408-I525 HydrophobicContact CH2-CG1 3.68Å; W408-I525 HydrophobicContact CH2-CG2 3.66Å; W408-I525 HydrophobicContact CZ2-CB 4.02Å; W408-I525 HydrophobicContact CZ2-CD1 3.62Å; W408-I525 HydrophobicContact CZ2-CG1 3.56Å; W408-I525 HydrophobicContact CZ2-CG2 3.32Å; W408-I525 HydrophobicContact CZ3-CG1 4.12Å; W408-N526 WeakPolarHBondContact CH2-OD1 3.5Å; W408-S529 WeakPolarHBondContact CZ3-OG 3.01Å |
| 409 | E | 91.1 | Very high | 90.1 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 9% | 0.093 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.8 | -41.3 | 175 | 175.4 | -178.8 | -171.4 | 0 | 0 | 112.3 | K50 I91 R328 Y334 S335 T407 A412 A413 | K50-E409 WeakPolarHBondContact CE-OE2 3.47Å; K50-E409 IonicContact NZ-OE1 3.74Å; K50-E409 IonicContact NZ-OE2 3.81Å; K50-E409 PolarHBondContact NZ-OE2 3.46Å; I91-E409 HydrophobicContact CD1-CB 4.15Å; I91-E409 HydrophobicContact CD1-CG 3.73Å; I91-E409 HydrophobicContact CG1-CG 4.17Å; I91-E409 HydrophobicContact CG2-CB 4.39Å; I91-E409 HydrophobicContact CG2-CG 4.36Å; R328-E409 IonicContact CZ-OE1 2.71Å; R328-E409 IonicContact NH2-OE1 3.59Å; R328-E409 PolarHBondContact NH2-OE1 3.39Å; R328-E409 IonicContact NH2-OE2 2.87Å; R328-E409 PolarHBondContact NH2-OE2 3.02Å; Y334-E409 PolarHBondContact O-N 3.45Å; Y334-E409 VanDerWaalsContact O-N 3.08Å; S335-E409 WeakPolarHBondContact CB-OE2 3.27Å; S335-E409 PolarHBondContact OG-OE2 3.34Å; T407-E409 VanDerWaalsContact C-N 3.29Å; T407-E409 PolarHBondContact O-N 2.77Å; T407-E409 PolarHBondContact OG1-N 2.99Å; E409-A412 PolarHBondContact O-N 2.95Å; E409-A413 PolarHBondContact O-N 3.26Å; E409-A413 VanDerWaalsContact O-N 3.14Å |
| 410 | N | 93.1 | Very high | 89.7 | Confident | 12 Ų | 12 | 35.7 Ų | 35.7 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -49.2 | 175.7 | -63.3 | 122.4 | 0 | 0 | 0 | 110.6 | I398 I406 T407 W408 A412 A413 V414 | I398-N410 HydrophobicContact CD1-CB 3.86Å; I398-N410 HydrophobicContact CG1-CB 4.18Å; I406-N410 HydrophobicContact CG2-CB 4.38Å; T407-N410 PolarHBondContact N-OD1 3.08Å; T407-N410 WeakPolarHBondContact O-CB 3.45Å; T407-N410 PolarHBondContact O-N 2.8Å; T407-N410 PolarHBondContact OG1-N 2.84Å; T407-N410 PolarHBondContact OG1-OD1 3.41Å; T407-N410 VanDerWaalsContact OG1-OD1 3.12Å; W408-N410 VanDerWaalsContact C-N 3.29Å; W408-N410 PolarHBondContact O-N 3.03Å; N410-A412 PolarHBondContact O-N 3.49Å; N410-A413 WeakPolarHBondContact O-CB 3.38Å; N410-A413 PolarHBondContact O-N 3.03Å; N410-V414 WeakPolarHBondContact O-CG2 3.48Å; N410-V414 PolarHBondContact O-N 3.46Å |
| 411 | L | 92.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -35.9 | -179.7 | -67.2 | -175.4 | 0 | 0 | 0 | 113.2 | L339 I398 I406 T407 W408 A413 V414 L415 I525 V528 I532 | L339-L411 HydrophobicContact CD1-CD1 3.4Å; L339-L411 HydrophobicContact CD1-CG 4.14Å; I398-L411 HydrophobicContact CD1-CD2 4.18Å; I406-L411 HydrophobicContact CG2-CD2 4.09Å; I406-L411 HydrophobicContact CG2-CG 4.08Å; T407-L411 PolarHBondContact O-N 3.1Å; W408-L411 PolarHBondContact O-N 2.87Å; L411-A413 PolarHBondContact O-N 3Å; L411-V414 WeakPolarHBondContact O-CA 3.43Å; L411-V414 WeakPolarHBondContact O-CB 3.5Å; L411-V414 PolarHBondContact O-N 3.18Å; L411-L415 PolarHBondContact O-N 3.14Å; L411-I525 HydrophobicContact CB-CD1 3.79Å; L411-I525 HydrophobicContact CB-CG1 3.8Å; L411-I525 HydrophobicContact CD1-CG1 4.37Å; L411-V528 HydrophobicContact CD1-CG1 4.28Å; L411-V528 HydrophobicContact CD2-CG1 3.85Å; L411-I532 HydrophobicContact CD1-CD1 4.21Å; L411-I532 HydrophobicContact CD2-CD1 3.8Å |
| 412 | A | 90.5 | Very high | 89.8 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 5% | 0.05 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66 | -27.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | I91 W408 E409 N410 L415 P416 I525 | I91-A412 HydrophobicContact CG2-CB 3.41Å; I91-A412 VanDerWaalsContact CG2-CB 3.41Å; W408-A412 WeakPolarHBondContact O-CB 3.49Å; W408-A412 PolarHBondContact O-N 3.41Å; E409-A412 PolarHBondContact O-N 2.95Å; N410-A412 PolarHBondContact O-N 3.49Å; A412-L415 CarbonylContact O-C 3.59Å; A412-P416 WeakPolarHBondContact O-CA 3.18Å; A412-P416 WeakPolarHBondContact O-CB 3.34Å; A412-I525 HydrophobicContact CB-CD1 3.89Å |
| 413 | A | 92.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 12% | 0.116 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.9 | -28.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R395 S396 E409 N410 L411 | R395-A413 CarbonylContact C-O 3.57Å; R395-A413 WeakPolarHBondContact CB-O 3.25Å; S396-A413 WeakPolarHBondContact CB-O 3.49Å; S396-A413 PolarHBondContact N-O 3.24Å; E409-A413 PolarHBondContact O-N 3.26Å; E409-A413 VanDerWaalsContact O-N 3.14Å; N410-A413 WeakPolarHBondContact O-CB 3.38Å; N410-A413 PolarHBondContact O-N 3.03Å; L411-A413 PolarHBondContact O-N 3Å |
| 414 | V | 95.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -76 | -45.5 | 175.9 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | M360 I364 I394 R395 S396 I398 N410 L411 P416 | M360-V414 HydrophobicContact CE-CG1 4.11Å; M360-V414 HydrophobicContact CE-CG2 3.77Å; M360-V414 HydrophobicContact CG-CG1 4.04Å; M360-V414 HydrophobicContact SD-CG1 3.92Å; M360-V414 HydrophobicContact SD-CG2 4.48Å; I364-V414 HydrophobicContact CD1-CG1 4.08Å; I394-V414 HydrophobicContact CG2-CG1 4.06Å; R395-V414 WeakPolarHBondContact CB-O 3.48Å; R395-V414 PolarHBondContact N-O 3.18Å; S396-V414 WeakPolarHBondContact O-CG2 3.47Å; I398-V414 HydrophobicContact CD1-CG2 3.76Å; I398-V414 HydrophobicContact CG1-CG2 3.87Å; N410-V414 WeakPolarHBondContact O-CG2 3.48Å; N410-V414 PolarHBondContact O-N 3.46Å; L411-V414 WeakPolarHBondContact O-CA 3.43Å; L411-V414 WeakPolarHBondContact O-CB 3.5Å; L411-V414 PolarHBondContact O-N 3.18Å; V414-P416 WeakPolarHBondContact O-CD 3.28Å |
| 415 | L | 93.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 5% | 0.047 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -125.3 | 73.8 | -174.6 | -63.4 | 171.8 | 0 | 0 | 0 | 110.3 | I364 L411 A412 F417 F421 D524 V528 | I364-L415 HydrophobicContact CD1-CD2 4.33Å; L411-L415 PolarHBondContact O-N 3.14Å; A412-L415 CarbonylContact O-C 3.59Å; L415-F417 PolarHBondContact O-N 3.37Å; L415-F421 HydrophobicContact CD1-CZ 4.13Å; L415-D524 HydrophobicContact CD1-CB 4.24Å; L415-V528 HydrophobicContact CD1-CB 4.42Å; L415-V528 HydrophobicContact CD1-CG2 3.7Å |
| 416 | P | 88.9 | Confident | 90.6 | Very high | 8 Ų | 8 | 19 Ų | 19 | 5% | 0.052 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -7.4 | -167.6 | 37.2 | -40.3 | 0 | 0 | 0 | 113.8 | Q88 R395 A412 V414 | Q88-P416 HydrophobicContact CG-CG 4.24Å; Q88-P416 VanDerWaalsContact OE1-CB 3.29Å; Q88-P416 PolarHBondContact OE1-O 2.9Å; R395-P416 HydrophobicContact CB-CG 3.99Å; R395-P416 HydrophobicContact CG-CG 3.69Å; A412-P416 WeakPolarHBondContact O-CA 3.18Å; A412-P416 WeakPolarHBondContact O-CB 3.34Å; V414-P416 WeakPolarHBondContact O-CD 3.28Å |
| 417 | F | 81.9 | Confident | 90.8 | Very high | 83 Ų | 83 | 23.3 Ų | 23.3 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -24.4 | -172.3 | -57.1 | -74.9 | 0 | 0 | 0 | 113.9 | Q88 H118 R395 L415 | Q88-F417 HydrophobicContact CG-CD1 4.18Å; Q88-F417 HydrophobicContact CG-CE1 4.03Å; H118-F417 AromaticContact CE1-CE1 3.7Å; R395-F417 HydrophobicContact CG-CE2 3.92Å; R395-F417 HydrophobicContact CG-CZ 4.3Å; L415-F417 PolarHBondContact O-N 3.37Å |
| 418 | G | 78.1 | Confident | 91 | Very high | 44 Ų | 44 | 22.8 Ų | 22.8 | 45% | 0.454 | 13% | 0.125 | S | C | . | . | trans | 66.4 | 37.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 419 | G | 84.9 | Confident | 91.4 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 12% | 0.124 | 12% | 0.124 | C | C | . | . | trans | -81.5 | -168.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q523 D524 | G419-Q523 WeakPolarHBondContact O-CA 3.16Å; G419-D524 PolarHBondContact N-OD2 2.76Å; G419-D524 VanDerWaalsContact O-CG 3.3Å; G419-D524 PolarHBondContact O-N 3.01Å | ||
| 420 | T | 84.4 | Confident | 91.8 | Very high | 34 Ų | 34 | 20.6 Ų | 20.6 | 21% | 0.209 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 154.2 | 174.5 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | D422 P498 N499 D522 | T420-D422 VanDerWaalsContact CB-OD1 3.29Å; T420-D422 WeakPolarHBondContact CB-OD1 3.48Å; T420-D422 PolarHBondContact OG1-OD1 3.2Å; T420-P498 CarbonylContact O-C 3.55Å; T420-P498 WeakPolarHBondContact O-CA 3.45Å; T420-N499 PolarHBondContact N-OD1 2.92Å; T420-N499 PolarHBondContact O-N 3.43Å; T420-N499 WeakPolarHBondContact OG1-CB 3.14Å; T420-D522 CarbonylContact C-O 3.49Å; T420-D522 VanDerWaalsContact CA-O 3.27Å; T420-D522 WeakPolarHBondContact CA-O 3.3Å; T420-D522 WeakPolarHBondContact CB-O 3.33Å |
| 421 | F | 93.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 20 Ų | 20 | 2% | 0.022 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 102.1 | 168.5 | -65 | -43.2 | 0 | 0 | 0 | 109.5 | I364 M368 L415 I496 L497 P498 G521 D522 D524 V527 V528 | I364-F421 HydrophobicContact CG2-CE1 4.35Å; I364-F421 HydrophobicContact CG2-CE2 4.05Å; I364-F421 HydrophobicContact CG2-CZ 3.56Å; M368-F421 HydrophobicContact CE-CB 4Å; M368-F421 HydrophobicContact CE-CD1 3.62Å; M368-F421 HydrophobicContact CE-CE1 4.22Å; M368-F421 HydrophobicContact CE-CG 3.83Å; M368-F421 HydrophobicContact CG-CB 4.04Å; M368-F421 HydrophobicContact CG-CD1 4.05Å; M368-F421 HydrophobicContact CG-CD2 3.33Å; M368-F421 HydrophobicContact CG-CE1 4.34Å; M368-F421 HydrophobicContact CG-CE2 3.64Å; M368-F421 HydrophobicContact CG-CG 3.55Å; M368-F421 HydrophobicContact CG-CZ 4.15Å; M368-F421 HydrophobicContact SD-CD1 3.65Å; M368-F421 HydrophobicContact SD-CD2 4.02Å; M368-F421 HydrophobicContact SD-CE1 3.72Å; M368-F421 HydrophobicContact SD-CE2 4.05Å; M368-F421 HydrophobicContact SD-CG 3.82Å; M368-F421 HydrophobicContact SD-CZ 3.92Å; L415-F421 HydrophobicContact CD1-CZ 4.13Å; F421-I496 HydrophobicContact CB-CG2 4.12Å; F421-L497 CarbonylContact C-O 3.6Å; F421-P498 HydrophobicContact CD1-CB 4.49Å; F421-P498 HydrophobicContact CD1-CG 4.27Å; F421-P498 HydrophobicContact CE1-CG 4.2Å; F421-G521 VanDerWaalsContact O-CA 3.31Å; F421-G521 WeakPolarHBondContact O-CA 3.32Å; F421-D522 PolarHBondContact N-O 3.48Å; F421-D524 HydrophobicContact CD1-CB 4.41Å; F421-D524 HydrophobicContact CD2-CB 4.27Å; F421-D524 HydrophobicContact CE1-CB 3.94Å; F421-D524 VanDerWaalsContact CE2-CA 3.48Å; F421-D524 HydrophobicContact CE2-CB 3.82Å; F421-D524 WeakPolarHBondContact CE2-O 3.18Å; F421-D524 HydrophobicContact CZ-CB 3.63Å; F421-V527 HydrophobicContact CD2-CB 3.75Å; F421-V527 HydrophobicContact CD2-CG1 3.78Å; F421-V527 HydrophobicContact CD2-CG2 3.98Å; F421-V527 HydrophobicContact CE2-CB 4.07Å; F421-V527 HydrophobicContact CE2-CG1 4.11Å; F421-V528 HydrophobicContact CE2-CG2 4.1Å |
| 422 | D | 90.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.011 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 157.6 | -171.2 | -68.3 | -2 | 0 | 0 | 0 | 111.8 | T420 I496 L497 N499 H518 S520 G521 | T420-D422 VanDerWaalsContact CB-OD1 3.29Å; T420-D422 WeakPolarHBondContact CB-OD1 3.48Å; T420-D422 PolarHBondContact OG1-OD1 3.2Å; D422-I496 VanDerWaalsContact O-CA 3.29Å; D422-I496 WeakPolarHBondContact O-CA 3.13Å; D422-I496 WeakPolarHBondContact O-CG2 3.49Å; D422-L497 PolarHBondContact N-O 3.23Å; D422-L497 PolarHBondContact O-N 3.37Å; D422-N499 WeakPolarHBondContact OD2-CB 3.38Å; D422-H518 IonicContact OD2-CD2 3.82Å; D422-H518 IonicContact OD2-CE1 3.77Å; D422-H518 IonicContact OD2-NE2 2.9Å; D422-H518 PolarHBondContact OD2-NE2 2.96Å; D422-S520 WeakPolarHBondContact OD1-CA 3.43Å; D422-G521 PolarHBondContact OD1-N 3.42Å |
| 423 | L | 89.3 | Confident | 92.7 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 18% | 0.178 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.9 | 174.8 | -179.7 | 62.1 | 0 | 0 | 0 | 109.9 | V384 K494 I496 H518 D519 | V384-L423 HydrophobicContact CB-CD1 4.39Å; V384-L423 HydrophobicContact CG1-CD1 3.95Å; V384-L423 HydrophobicContact CG2-CD1 3.5Å; V384-L423 VanDerWaalsContact CG2-CD1 3.5Å; V384-L423 HydrophobicContact CG2-CD2 4.03Å; V384-L423 HydrophobicContact CG2-CG 4.43Å; L423-K494 HydrophobicContact CD1-CB 4.18Å; L423-I496 HydrophobicContact CD1-CG1 4.29Å; L423-H518 WeakPolarHBondContact O-CA 3.25Å; L423-D519 PolarHBondContact N-O 2.75Å; L423-D519 PolarHBondContact O-N 3.42Å |
| 424 | V | 91.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 155.2 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | L426 K494 V495 L497 A502 R517 H518 | V424-L426 HydrophobicContact CB-CG 4.48Å; V424-L426 HydrophobicContact CG2-CD1 3.62Å; V424-L426 HydrophobicContact CG2-CD2 4.42Å; V424-L426 HydrophobicContact CG2-CG 3.75Å; V424-K494 WeakPolarHBondContact O-CA 3.34Å; V424-V495 HydrophobicContact CG2-CB 4.37Å; V424-V495 WeakPolarHBondContact CG2-O 3.44Å; V424-V495 PolarHBondContact N-O 3.21Å; V424-V495 PolarHBondContact O-N 3.35Å; V424-L497 HydrophobicContact CB-CD2 4.04Å; V424-L497 HydrophobicContact CG1-CD2 3.63Å; V424-L497 HydrophobicContact CG2-CD1 4.32Å; V424-L497 HydrophobicContact CG2-CD2 3.34Å; V424-L497 HydrophobicContact CG2-CG 4.5Å; V424-A502 HydrophobicContact CG1-CB 4.22Å; V424-R517 CarbonylContact C-O 3.55Å; V424-R517 WeakPolarHBondContact CA-O 3.38Å; V424-H518 HydrophobicContact CG1-CB 4.21Å |
| 425 | Q | 95.6 | Very high | 93.2 | Very high | 47 Ų | 47 | 26 Ų | 26 | 22% | 0.22 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.2 | 167.6 | -68.2 | -175.1 | 19.1 | 0 | 0 | 110.1 | I492 Y493 K494 L516 R517 | Q425-I492 HydrophobicContact CB-CG2 4.03Å; Q425-Y493 WeakPolarHBondContact CA-O 3.47Å; Q425-K494 HydrophobicContact CG-CG 3.82Å; Q425-L516 HydrophobicContact CB-CB 4.17Å; Q425-L516 PolarHBondContact O-N 2.91Å; Q425-R517 HydrophobicContact CB-CB 4.03Å; Q425-R517 HydrophobicContact CG-CB 4.05Å; Q425-R517 PolarHBondContact N-O 3.19Å |
| 426 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 144.4 | -175.7 | -64 | 167.7 | 0 | 0 | 0 | 110.1 | V424 T430 L431 I492 Y493 I511 L515 | V424-L426 HydrophobicContact CB-CG 4.48Å; V424-L426 HydrophobicContact CG2-CD1 3.62Å; V424-L426 HydrophobicContact CG2-CD2 4.42Å; V424-L426 HydrophobicContact CG2-CG 3.75Å; L426-T430 HydrophobicContact CD2-CG2 3.88Å; L426-L431 HydrophobicContact CB-CG 4.07Å; L426-L431 HydrophobicContact CD1-CD2 3.73Å; L426-L431 HydrophobicContact CD1-CG 4.17Å; L426-I492 WeakPolarHBondContact O-CA 3.44Å; L426-Y493 PolarHBondContact N-O 3.09Å; L426-Y493 PolarHBondContact O-N 2.64Å; L426-I511 HydrophobicContact CD2-CG2 4.27Å; L426-L515 HydrophobicContact CD2-CB 3.91Å |
| 427 | K | 98.4 | Very high | 93.9 | Very high | 90 Ų | 90 | 27.4 Ų | 27.4 | 39% | 0.391 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 151.2 | 165.5 | -70.9 | -172.6 | 175.7 | -175.2 | 0 | 110.2 | S429 T430 L431 E491 L516 | K427-S429 WeakPolarHBondContact CB-OG 3.46Å; K427-S429 PolarHBondContact O-N 2.74Å; K427-T430 WeakPolarHBondContact O-CB 3.35Å; K427-T430 PolarHBondContact O-N 2.79Å; K427-L431 PolarHBondContact O-N 2.69Å; K427-L431 VanDerWaalsContact O-N 3.08Å; K427-E491 CarbonylContact C-O 3.4Å; K427-E491 WeakPolarHBondContact CA-O 3.48Å; K427-L516 HydrophobicContact CG-CD1 4.35Å |
| 428 | G | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.7 | -35.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T430 L431 K432 L487 K488 M489 E491 | G428-T430 VanDerWaalsContact C-N 3.31Å; G428-T430 PolarHBondContact O-N 3.19Å; G428-L431 PolarHBondContact O-N 3.22Å; G428-K432 WeakPolarHBondContact O-CB 3.33Å; G428-K432 PolarHBondContact O-N 3.46Å; G428-L487 VanDerWaalsContact O-CD2 3.32Å; G428-L487 WeakPolarHBondContact O-CD2 3.47Å; G428-K488 WeakPolarHBondContact CA-O 3.18Å; G428-M489 CarbonylContact C-O 3.59Å; G428-M489 PolarHBondContact N-O 2.66Å; G428-E491 PolarHBondContact N-O 2.91Å |
| 429 | S | 98.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 21.5 Ų | 21.5 | 18% | 0.182 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.2 | -39.8 | 173.6 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | K427 K433 M489 | K427-S429 WeakPolarHBondContact CB-OG 3.46Å; K427-S429 PolarHBondContact O-N 2.74Å; S429-K433 WeakPolarHBondContact O-CG 3.47Å; S429-K433 PolarHBondContact O-N 3.45Å; S429-K433 VanDerWaalsContact O-N 3.13Å; S429-M489 PolarHBondContact N-O 2.91Å |
| 430 | T | 98.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.6 | -41.9 | 179.1 | -50.8 | 0 | 0 | 0 | 0 | 110.7 | L426 K427 G428 K432 K433 A434 M510 E514 | L426-T430 HydrophobicContact CD2-CG2 3.88Å; K427-T430 WeakPolarHBondContact O-CB 3.35Å; K427-T430 PolarHBondContact O-N 2.79Å; G428-T430 VanDerWaalsContact C-N 3.31Å; G428-T430 PolarHBondContact O-N 3.19Å; T430-K432 VanDerWaalsContact C-N 3.35Å; T430-K432 PolarHBondContact O-N 3.15Å; T430-K433 WeakPolarHBondContact O-CB 3.02Å; T430-K433 PolarHBondContact O-N 2.96Å; T430-A434 PolarHBondContact O-N 3.25Å; T430-M510 HydrophobicContact CG2-CG 4.23Å; T430-M510 WeakPolarHBondContact CG2-O 3.4Å; T430-E514 WeakPolarHBondContact CB-OE2 3.36Å; T430-E514 HydrophobicContact CG2-CB 3.76Å; T430-E514 HydrophobicContact CG2-CG 4.44Å; T430-E514 PolarHBondContact OG1-OE2 3.44Å |
| 431 | L | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 173.8 | -77.6 | 169.4 | 0 | 0 | 0 | 112.1 | M386 L426 K427 G428 K433 A434 F435 L487 Y493 V495 | M386-L431 HydrophobicContact CE-CD1 3.75Å; L426-L431 HydrophobicContact CB-CG 4.07Å; L426-L431 HydrophobicContact CD1-CD2 3.73Å; L426-L431 HydrophobicContact CD1-CG 4.17Å; K427-L431 PolarHBondContact O-N 2.69Å; K427-L431 VanDerWaalsContact O-N 3.08Å; G428-L431 PolarHBondContact O-N 3.22Å; L431-K433 VanDerWaalsContact C-N 3.34Å; L431-K433 PolarHBondContact O-N 3.27Å; L431-A434 WeakPolarHBondContact O-CB 3.42Å; L431-A434 PolarHBondContact O-N 3.44Å; L431-A434 VanDerWaalsContact O-N 3.15Å; L431-F435 VanDerWaalsContact O-CD2 3.24Å; L431-F435 WeakPolarHBondContact O-CD2 3.36Å; L431-F435 PolarHBondContact O-N 2.82Å; L431-L487 HydrophobicContact CB-CD2 4.16Å; L431-L487 HydrophobicContact CD1-CD1 4.14Å; L431-Y493 HydrophobicContact CD1-CD2 4.05Å; L431-Y493 HydrophobicContact CD1-CG 4.05Å; L431-V495 HydrophobicContact CD1-CG2 3.88Å; L431-V495 HydrophobicContact CD2-CG2 3.85Å; L431-V495 HydrophobicContact CG-CG2 4.42Å |
| 432 | K | 98.8 | Very high | 97 | Very high | 52 Ų | 52 | 27.8 Ų | 27.8 | 23% | 0.226 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.9 | 179.7 | 66.5 | 176.3 | -154.9 | 0 | 111.4 | G428 T430 A434 F435 E436 V469 L472 L487 M489 | G428-K432 WeakPolarHBondContact O-CB 3.33Å; G428-K432 PolarHBondContact O-N 3.46Å; T430-K432 VanDerWaalsContact C-N 3.35Å; T430-K432 PolarHBondContact O-N 3.15Å; K432-A434 VanDerWaalsContact C-N 3.32Å; K432-A434 PolarHBondContact O-N 2.96Å; K432-F435 PolarHBondContact O-N 3.41Å; K432-E436 WeakPolarHBondContact O-CG 3.17Å; K432-E436 PolarHBondContact O-N 3.33Å; K432-V469 HydrophobicContact CD-CB 4.1Å; K432-V469 HydrophobicContact CD-CG1 4Å; K432-V469 VanDerWaalsContact NZ-CB 3.27Å; K432-V469 PolarHBondContact NZ-O 3.48Å; K432-L472 HydrophobicContact CD-CD2 4.24Å; K432-L487 HydrophobicContact CB-CD2 4.39Å; K432-M489 HydrophobicContact CB-CE 4.07Å; K432-M489 HydrophobicContact CB-SD 4.07Å; K432-M489 HydrophobicContact CG-CE 4.17Å; K432-M489 HydrophobicContact CG-SD 4.35Å |
| 433 | K | 98.8 | Very high | 97 | Very high | 94 Ų | 94 | 30.1 Ų | 30.1 | 41% | 0.409 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.2 | -41.4 | 175.3 | -69.6 | 169.8 | -174.9 | 169.7 | 0 | 112.1 | S429 T430 L431 E436 H437 M510 E514 | S429-K433 WeakPolarHBondContact O-CG 3.47Å; S429-K433 PolarHBondContact O-N 3.45Å; S429-K433 VanDerWaalsContact O-N 3.13Å; T430-K433 WeakPolarHBondContact O-CB 3.02Å; T430-K433 PolarHBondContact O-N 2.96Å; L431-K433 VanDerWaalsContact C-N 3.34Å; L431-K433 PolarHBondContact O-N 3.27Å; K433-E436 PolarHBondContact O-N 2.99Å; K433-H437 WeakPolarHBondContact O-CB 3.21Å; K433-H437 PolarHBondContact O-N 3.1Å; K433-M510 HydrophobicContact CB-CG 4Å; K433-M510 HydrophobicContact CD-CB 4.48Å; K433-E514 IonicContact NZ-OE1 2.66Å; K433-E514 PolarHBondContact NZ-OE1 3.02Å; K433-E514 IonicContact NZ-OE2 3.16Å; K433-E514 PolarHBondContact NZ-OE2 3.05Å |
| 434 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T430 L431 K432 H437 S438 F508 M510 I511 | T430-A434 PolarHBondContact O-N 3.25Å; L431-A434 WeakPolarHBondContact O-CB 3.42Å; L431-A434 PolarHBondContact O-N 3.44Å; L431-A434 VanDerWaalsContact O-N 3.15Å; K432-A434 VanDerWaalsContact C-N 3.32Å; K432-A434 PolarHBondContact O-N 2.96Å; A434-H437 WeakPolarHBondContact O-CB 3.18Å; A434-H437 PolarHBondContact O-N 2.88Å; A434-S438 WeakPolarHBondContact O-CB 3.34Å; A434-S438 PolarHBondContact O-N 3.38Å; A434-F508 HydrophobicContact CB-CD1 4Å; A434-F508 HydrophobicContact CB-CE1 4Å; A434-F508 WeakPolarHBondContact O-CE1 3.48Å; A434-M510 HydrophobicContact CB-SD 4.19Å; A434-I511 HydrophobicContact CB-CD1 4.33Å; A434-I511 HydrophobicContact CB-CG1 4.37Å |
| 435 | F | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -31.6 | 174.8 | -79.7 | -70.8 | 0 | 0 | 0 | 113.3 | I388 L431 K432 S438 L450 V452 I455 V457 Y459 V469 L472 | I388-F435 HydrophobicContact CG2-CE2 4.25Å; I388-F435 HydrophobicContact CG2-CZ 3.75Å; L431-F435 VanDerWaalsContact O-CD2 3.24Å; L431-F435 WeakPolarHBondContact O-CD2 3.36Å; L431-F435 PolarHBondContact O-N 2.82Å; K432-F435 PolarHBondContact O-N 3.41Å; F435-S438 VanDerWaalsContact O-CB 3.31Å; F435-S438 WeakPolarHBondContact O-CB 3.28Å; F435-S438 PolarHBondContact O-N 3.37Å; F435-L450 HydrophobicContact CD1-CD1 4.01Å; F435-L450 HydrophobicContact CE1-CB 4.17Å; F435-L450 HydrophobicContact CE1-CD1 3.98Å; F435-L450 HydrophobicContact CG-CD1 4.48Å; F435-L450 HydrophobicContact CZ-CD1 4.39Å; F435-V452 HydrophobicContact CE1-CG1 3.71Å; F435-V452 HydrophobicContact CZ-CG1 3.81Å; F435-I455 HydrophobicContact CE2-CD1 4.02Å; F435-I455 HydrophobicContact CE2-CG2 4.19Å; F435-I455 HydrophobicContact CZ-CD1 3.74Å; F435-I455 HydrophobicContact CZ-CG2 3.79Å; F435-V457 HydrophobicContact CD1-CG2 4.18Å; F435-V457 HydrophobicContact CE1-CB 4.49Å; F435-V457 HydrophobicContact CE1-CG1 4.33Å; F435-Y459 WeakPolarHBondContact CD1-OH 3.09Å; F435-Y459 WeakPolarHBondContact O-CE1 3.39Å; F435-V469 HydrophobicContact CB-CG2 3.76Å; F435-L472 HydrophobicContact CB-CD2 4.32Å; F435-L472 HydrophobicContact CD2-CD1 3.77Å; F435-L472 HydrophobicContact CD2-CD2 3.51Å; F435-L472 HydrophobicContact CD2-CG 4.3Å; F435-L472 HydrophobicContact CE2-CD1 3.79Å; F435-L472 HydrophobicContact CE2-CD2 4.15Å; F435-L472 HydrophobicContact CG-CD1 4.17Å; F435-L472 HydrophobicContact CG-CD2 4.11Å; F435-L472 HydrophobicContact CZ-CD1 4.19Å |
| 436 | E | 98.8 | Very high | 96.7 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 170.4 | -71.1 | -63.3 | 166.8 | 0 | 0 | 112 | K432 K433 S438 V439 H440 D467 R468 V469 | K432-E436 WeakPolarHBondContact O-CG 3.17Å; K432-E436 PolarHBondContact O-N 3.33Å; K433-E436 PolarHBondContact O-N 2.99Å; E436-S438 VanDerWaalsContact C-N 3.26Å; E436-S438 PolarHBondContact O-N 3.17Å; E436-V439 PolarHBondContact O-N 3.42Å; E436-H440 PolarHBondContact O-N 3.5Å; E436-D467 PolarHBondContact OE2-N 2.87Å; E436-D467 VanDerWaalsContact OE2-N 3.13Å; E436-R468 VanDerWaalsContact CD-N 3.35Å; E436-R468 PolarHBondContact OE1-N 3.11Å; E436-R468 PolarHBondContact OE2-N 2.91Å; E436-V469 HydrophobicContact CG-CG2 4.04Å; E436-V469 VanDerWaalsContact OE1-CB 3.22Å; E436-V469 WeakPolarHBondContact OE1-CB 3.02Å; E436-V469 WeakPolarHBondContact OE1-CG2 3.47Å; E436-V469 PolarHBondContact OE1-N 3.44Å |
| 437 | H | 98.7 | Very high | 96.6 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 15% | 0.153 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -40.8 | 174.5 | -178.1 | 69.5 | 0 | 0 | 0 | 111.6 | K433 A434 V439 H440 D506 F508 M510 | K433-H437 WeakPolarHBondContact O-CB 3.21Å; K433-H437 PolarHBondContact O-N 3.1Å; A434-H437 WeakPolarHBondContact O-CB 3.18Å; A434-H437 PolarHBondContact O-N 2.88Å; H437-V439 PolarHBondContact O-N 3.25Å; H437-H440 AromaticContact CE1-CE1 3.67Å; H437-H440 AromaticContact CE1-ND1 3.82Å; H437-H440 AromaticContact ND1-CE1 3.87Å; H437-H440 AromaticContact ND1-ND1 3.6Å; H437-H440 PolarHBondContact O-N 3.12Å; H437-H440 VanDerWaalsContact O-N 3.08Å; H437-H440 PolarHBondContact O-ND1 2.75Å; H437-D506 PolarHBondContact NE2-O 3.24Å; H437-F508 HydrophobicContact CB-CE1 4.43Å; H437-F508 AromaticContact CD2-CD1 3.82Å; H437-F508 AromaticContact CD2-CD2 3.81Å; H437-F508 AromaticContact CD2-CE1 3.7Å; H437-F508 AromaticContact CD2-CE2 3.73Å; H437-F508 AromaticContact CD2-CG 3.9Å; H437-F508 AromaticContact CD2-CZ 3.67Å; H437-M510 HydrophobicContact CB-CE 3.8Å |
| 438 | S | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.4 | -26.8 | -179.7 | -166.8 | 0 | 0 | 0 | 0 | 114.6 | A434 F435 E436 E448 F449 L450 | A434-S438 WeakPolarHBondContact O-CB 3.34Å; A434-S438 PolarHBondContact O-N 3.38Å; F435-S438 VanDerWaalsContact O-CB 3.31Å; F435-S438 WeakPolarHBondContact O-CB 3.28Å; F435-S438 PolarHBondContact O-N 3.37Å; E436-S438 VanDerWaalsContact C-N 3.26Å; E436-S438 PolarHBondContact O-N 3.17Å; S438-E448 WeakPolarHBondContact CA-O 3.45Å; S438-E448 PolarHBondContact OG-O 3.28Å; S438-F449 VanDerWaalsContact OG-CA 3.31Å; S438-F449 WeakPolarHBondContact OG-CA 3.4Å; S438-L450 WeakPolarHBondContact OG-CB 3.35Å; S438-L450 WeakPolarHBondContact OG-CG 3.28Å; S438-L450 PolarHBondContact OG-N 3.34Å |
| 439 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | 15.9 | 179.9 | -63.3 | 0 | 0 | 0 | 0 | 113.1 | E436 H437 R441 Y442 F449 Y459 L461 R468 | E436-V439 PolarHBondContact O-N 3.42Å; H437-V439 PolarHBondContact O-N 3.25Å; V439-R441 PolarHBondContact O-N 3.26Å; V439-Y442 HydrophobicContact CG1-CD2 4.25Å; V439-Y442 PolarHBondContact O-N 2.86Å; V439-F449 HydrophobicContact CG1-CD2 4.01Å; V439-F449 HydrophobicContact CG1-CE2 3.97Å; V439-Y459 HydrophobicContact CB-CD1 4.35Å; V439-Y459 HydrophobicContact CB-CE1 4.32Å; V439-Y459 HydrophobicContact CG1-CD1 3.89Å; V439-Y459 HydrophobicContact CG1-CD2 4.12Å; V439-Y459 HydrophobicContact CG1-CE1 3.67Å; V439-Y459 HydrophobicContact CG1-CE2 3.92Å; V439-Y459 HydrophobicContact CG1-CG 4.09Å; V439-Y459 HydrophobicContact CG2-CD1 3.57Å; V439-Y459 HydrophobicContact CG2-CE1 3.64Å; V439-Y459 HydrophobicContact CG2-CG 4.36Å; V439-L461 HydrophobicContact CB-CD2 4.24Å; V439-R468 HydrophobicContact CG2-CB 3.75Å; V439-R468 HydrophobicContact CG2-CG 4.49Å; V439-R468 PolarHBondContact O-NH1 3.25Å |
| 440 | H | 98 | Very high | 96.6 | Very high | 61 Ų | 61 | 29.9 Ų | 29.9 | 28% | 0.282 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -40.1 | -173.1 | 82.9 | -79.4 | 0 | 0 | 0 | 112.7 | E436 H437 E448 P465 R468 | E436-H440 PolarHBondContact O-N 3.5Å; H437-H440 AromaticContact CE1-CE1 3.67Å; H437-H440 AromaticContact CE1-ND1 3.82Å; H437-H440 AromaticContact ND1-CE1 3.87Å; H437-H440 AromaticContact ND1-ND1 3.6Å; H437-H440 PolarHBondContact O-N 3.12Å; H437-H440 VanDerWaalsContact O-N 3.08Å; H437-H440 PolarHBondContact O-ND1 2.75Å; H440-E448 IonicContact CE1-OE1 3.23Å; H440-P465 HydrophobicContact CB-CB 4.26Å; H440-P465 WeakPolarHBondContact O-CG 3.35Å; H440-R468 PolarHBondContact O-NH1 2.85Å; H440-R468 VanDerWaalsContact O-NH1 3.08Å |
| 441 | R | 95.1 | Very high | 96.6 | Very high | 55 Ų | 55 | 29.8 Ų | 29.8 | 21% | 0.208 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 29.9 | 175.7 | 66.3 | -175 | 173.1 | 175.6 | -0.2 | 113 | E180 V439 G443 E448 | E180-R441 IonicContact OE2-CZ 3.36Å; E180-R441 IonicContact OE2-NH1 3.55Å; E180-R441 PolarHBondContact OE2-NH1 2.81Å; E180-R441 IonicContact OE2-NH2 3.33Å; V439-R441 PolarHBondContact O-N 3.26Å; R441-G443 PolarHBondContact O-N 2.94Å; R441-E448 WeakPolarHBondContact CG-OE1 3.5Å; R441-E448 IonicContact CZ-OE1 2.71Å; R441-E448 IonicContact CZ-OE2 2.72Å; R441-E448 IonicContact NE-OE1 3.46Å; R441-E448 PolarHBondContact NE-OE1 3.29Å; R441-E448 IonicContact NE-OE2 2.83Å; R441-E448 PolarHBondContact NE-OE2 2.84Å; R441-E448 IonicContact NH2-OE1 2.63Å; R441-E448 IonicContact NH2-OE2 3.28Å; R441-E448 PolarHBondContact NH2-OE2 2.96Å |
| 442 | Y | 96.2 | Very high | 96.6 | Very high | 67 Ų | 67 | 29.8 Ų | 29.8 | 26% | 0.263 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 138.4 | 179.3 | -176.3 | -84.3 | 0 | 0 | 0 | 112.6 | F355 V439 F449 L461 F548 | F355-Y442 HydrophobicContact CB-CE2 4.48Å; F355-Y442 HydrophobicContact CD1-CE1 4.39Å; F355-Y442 HydrophobicContact CD1-CE2 4.48Å; F355-Y442 WeakPolarHBondContact O-CE2 3.46Å; F355-Y442 VanDerWaalsContact O-CZ 3.31Å; F355-Y442 PolarHBondContact O-OH 3.4Å; V439-Y442 HydrophobicContact CG1-CD2 4.25Å; V439-Y442 PolarHBondContact O-N 2.86Å; Y442-F449 HydrophobicContact CD2-CD2 4.13Å; Y442-F449 HydrophobicContact CD2-CE2 4.3Å; Y442-F449 HydrophobicContact CE2-CD2 4.12Å; Y442-F449 HydrophobicContact CE2-CE2 4.01Å; Y442-L461 HydrophobicContact CD1-CD1 3.5Å; Y442-L461 HydrophobicContact CD1-CD2 4.23Å; Y442-L461 HydrophobicContact CE1-CD1 3.51Å; Y442-L461 HydrophobicContact CG-CD1 4.12Å; Y442-L461 HydrophobicContact CG-CD2 4.05Å; Y442-F548 HydrophobicContact CD2-CE1 4.48Å; Y442-F548 AromaticContact CE2-CE1 3.96Å; Y442-F548 HydrophobicContact CE2-CE1 3.96Å; Y442-F548 AromaticContact CE2-CZ 3.71Å; Y442-F548 HydrophobicContact CE2-CZ 3.71Å; Y442-F548 AromaticContact CZ-CZ 3.98Å |
| 443 | G | 91.2 | Very high | 96.6 | Very high | 51 Ų | 51 | 27.3 Ų | 27.3 | 53% | 0.526 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 110.2 | -14.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | R441 | R441-G443 PolarHBondContact O-N 2.94Š|
| 444 | Q | 89.9 | Confident | 96.6 | Very high | 115 Ų | 115 | 23.1 Ų | 23.1 | 54% | 0.537 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -95.6 | 7.8 | -175.1 | -62.2 | 177.7 | 4.9 | 0 | 0 | 114.1 | T446 | Q444-T446 HydrophobicContact CB-CG2 3.92Å; Q444-T446 PolarHBondContact O-N 3.28Å |
| 445 | S | 90.3 | Very high | 96.6 | Very high | 34 Ų | 34 | 23.1 Ų | 23.1 | 24% | 0.238 | 13% | 0.127 | C | C | . | . | trans | 56.9 | 27 | -176.6 | -162.4 | 0 | 0 | 0 | 0 | 114.7 | R354 F355 | R354-S445 WeakPolarHBondContact CD-O 3.47Å; R354-S445 PolarHBondContact NH1-O 3.17Å; F355-S445 WeakPolarHBondContact CE2-OG 3.22Å | ||
| 446 | T | 91.4 | Very high | 96.6 | Very high | 31 Ų | 31 | 26 Ų | 26 | 19% | 0.19 | 14% | 0.141 | C | C | . | . | trans | -76.3 | 161.6 | 177.7 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | R354 Q444 E448 | R354-T446 WeakPolarHBondContact CD-O 3.42Å; Q444-T446 HydrophobicContact CB-CG2 3.92Å; Q444-T446 PolarHBondContact O-N 3.28Å; T446-E448 WeakPolarHBondContact CB-OE1 3.33Å; T446-E448 WeakPolarHBondContact CB-OE2 3.49Å; T446-E448 PolarHBondContact OG1-OE1 2.99Å; T446-E448 PolarHBondContact OG1-OE2 3.48Å; T446-E448 VanDerWaalsContact OG1-OE2 3.13Å | ||
| 447 | G | 94.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 8% | 0.082 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -20.8 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116 | G391 G392 F449 D506 | G391-G447 PolarHBondContact N-O 3.44Å; G392-G447 PolarHBondContact N-O 2.95Å; G447-F449 VanDerWaalsContact C-N 3.26Å; G447-F449 PolarHBondContact O-N 2.89Å; G447-F449 VanDerWaalsContact O-N 3.13Å; G447-D506 VanDerWaalsContact C-OD2 3.29Å |
| 448 | E | 97.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -7.2 | -165.7 | 65.3 | -86.1 | -170.9 | 0 | 0 | 116.1 | S438 H440 R441 T446 L450 D506 F508 | S438-E448 WeakPolarHBondContact CA-O 3.45Å; S438-E448 PolarHBondContact OG-O 3.28Å; H440-E448 IonicContact CE1-OE1 3.23Å; R441-E448 WeakPolarHBondContact CG-OE1 3.5Å; R441-E448 IonicContact CZ-OE1 2.71Å; R441-E448 IonicContact CZ-OE2 2.72Å; R441-E448 IonicContact NE-OE1 3.46Å; R441-E448 PolarHBondContact NE-OE1 3.29Å; R441-E448 IonicContact NE-OE2 2.83Å; R441-E448 PolarHBondContact NE-OE2 2.84Å; R441-E448 IonicContact NH2-OE1 2.63Å; R441-E448 IonicContact NH2-OE2 3.28Å; R441-E448 PolarHBondContact NH2-OE2 2.96Å; T446-E448 WeakPolarHBondContact CB-OE1 3.33Å; T446-E448 WeakPolarHBondContact CB-OE2 3.49Å; T446-E448 PolarHBondContact OG1-OE1 2.99Å; T446-E448 PolarHBondContact OG1-OE2 3.48Å; T446-E448 VanDerWaalsContact OG1-OE2 3.13Å; E448-L450 PolarHBondContact O-N 2.87Å; E448-D506 HydrophobicContact CB-CB 4.26Å; E448-F508 HydrophobicContact CB-CE2 3.64Å; E448-F508 HydrophobicContact CB-CZ 4.04Å; E448-F508 VanDerWaalsContact O-CZ 3.31Å; E448-F508 WeakPolarHBondContact O-CZ 3.27Å |
| 449 | F | 98.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | trans | -62.9 | 124.5 | 179.5 | -172.8 | -93.7 | 0 | 0 | 0 | 111 | C353 R354 R356 N390 G391 S438 V439 Y442 G447 Y459 I546 F548 | C353-F449 WeakPolarHBondContact O-CD1 3.48Å; R354-F449 WeakPolarHBondContact O-CB 3.37Å; R356-F449 WeakPolarHBondContact O-CE1 3.42Å; N390-F449 CarbonylContact C-O 3.46Å; G391-F449 PolarHBondContact N-O 2.9Å; S438-F449 VanDerWaalsContact OG-CA 3.31Å; S438-F449 WeakPolarHBondContact OG-CA 3.4Å; V439-F449 HydrophobicContact CG1-CD2 4.01Å; V439-F449 HydrophobicContact CG1-CE2 3.97Å; Y442-F449 HydrophobicContact CD2-CD2 4.13Å; Y442-F449 HydrophobicContact CD2-CE2 4.3Å; Y442-F449 HydrophobicContact CE2-CD2 4.12Å; Y442-F449 HydrophobicContact CE2-CE2 4.01Å; G447-F449 VanDerWaalsContact C-N 3.26Å; G447-F449 PolarHBondContact O-N 2.89Å; G447-F449 VanDerWaalsContact O-N 3.13Å; F449-Y459 HydrophobicContact CE2-CE2 4.26Å; F449-I546 HydrophobicContact CE1-CD1 3.85Å; F449-I546 HydrophobicContact CZ-CD1 4.12Å; F449-I546 HydrophobicContact CZ-CG2 3.82Å; F449-F548 HydrophobicContact CE2-CE1 4.44Å; F449-F548 AromaticContact CE2-CZ 3.76Å; F449-F548 HydrophobicContact CE2-CZ 3.76Å; F449-F548 HydrophobicContact CZ-CE2 4.5Å; F449-F548 AromaticContact CZ-CZ 3.94Å; F449-F548 HydrophobicContact CZ-CZ 3.94Å | ||
| 450 | L | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 114.7 | -170.4 | -68.4 | 177.3 | 0 | 0 | 0 | 110.9 | I388 L389 N390 F435 S438 E448 L501 F508 I546 | I388-L450 HydrophobicContact CB-CD1 4.32Å; I388-L450 HydrophobicContact CB-CD2 4.23Å; I388-L450 HydrophobicContact CD1-CD1 4.3Å; I388-L450 HydrophobicContact CG2-CD1 4.41Å; L389-L450 CarbonylContact O-C 3.53Å; L389-L450 WeakPolarHBondContact O-CA 3.48Å; N390-L450 HydrophobicContact CB-CD2 4.37Å; F435-L450 HydrophobicContact CD1-CD1 4.01Å; F435-L450 HydrophobicContact CE1-CB 4.17Å; F435-L450 HydrophobicContact CE1-CD1 3.98Å; F435-L450 HydrophobicContact CG-CD1 4.48Å; F435-L450 HydrophobicContact CZ-CD1 4.39Å; S438-L450 WeakPolarHBondContact OG-CB 3.35Å; S438-L450 WeakPolarHBondContact OG-CG 3.28Å; S438-L450 PolarHBondContact OG-N 3.34Å; E448-L450 PolarHBondContact O-N 2.87Å; L450-L501 HydrophobicContact CD2-CD1 3.93Å; L450-F508 HydrophobicContact CD1-CE1 3.93Å; L450-F508 HydrophobicContact CD1-CZ 4.13Å; L450-F508 HydrophobicContact CD2-CE1 4.12Å; L450-F508 HydrophobicContact CD2-CE2 4.37Å; L450-F508 HydrophobicContact CD2-CZ 3.65Å; L450-F508 HydrophobicContact CG-CE1 4.19Å; L450-F508 HydrophobicContact CG-CZ 3.86Å; L450-I546 WeakPolarHBondContact O-CD1 3.41Å |
| 451 | Q | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 153.2 | 156.8 | -55.6 | -58.7 | -42.7 | 0 | 0 | 109.7 | C353 R356 C358 I388 L389 I394 | C353-Q451 PolarHBondContact O-NE2 2.76Å; R356-Q451 PolarHBondContact O-NE2 2.98Å; C358-Q451 VanDerWaalsContact SG-CD 3.54Å; I388-Q451 WeakPolarHBondContact CA-O 3.32Å; L389-Q451 HydrophobicContact CB-CB 4.33Å; L389-Q451 PolarHBondContact N-O 2.96Å; L389-Q451 PolarHBondContact O-N 3.01Å; I394-Q451 HydrophobicContact CD1-CG 3.93Å |
| 452 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 155.6 | -167.5 | -59.3 | 0 | 0 | 0 | 0 | 114.7 | C387 I388 F435 I455 R545 I546 | C387-V452 WeakPolarHBondContact O-CA 3.36Å; I388-V452 HydrophobicContact CG2-CG1 4.36Å; F435-V452 HydrophobicContact CE1-CG1 3.71Å; F435-V452 HydrophobicContact CZ-CG1 3.81Å; V452-I455 HydrophobicContact CB-CB 4.06Å; V452-I455 HydrophobicContact CG1-CB 4.37Å; V452-I455 HydrophobicContact CG2-CB 4.33Å; V452-I455 WeakPolarHBondContact CG2-O 3.4Å; V452-R545 HydrophobicContact CG2-CB 3.72Å; V452-R545 WeakPolarHBondContact O-CD 3.39Å; V452-R545 PolarHBondContact O-NH1 2.93Å; V452-I546 HydrophobicContact CG2-CD1 4.32Å; V452-I546 HydrophobicContact CG2-CG1 3.95Å |
| 453 | G | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 138.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | M386 C387 I455 | M386-G453 CarbonylContact C-O 3.44Å; M386-G453 WeakPolarHBondContact CA-O 3.24Å; C387-G453 PolarHBondContact N-O 3.02Å; C387-G453 PolarHBondContact O-N 3.11Å; G453-I455 PolarHBondContact O-N 3.45Å |
| 454 | G | 98.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 7% | 0.072 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 63.4 | 20.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | S385 L475 | S385-G454 WeakPolarHBondContact O-CA 3.43Å; G454-L475 WeakPolarHBondContact O-CB 3.5Å; G454-L475 PolarHBondContact O-N 2.89Å |
| 455 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 134.5 | 177.6 | -56.1 | 175.6 | 0 | 0 | 0 | 108.4 | M386 I388 F435 V452 G453 L472 D473 V474 | M386-I455 HydrophobicContact CB-CD1 4.22Å; M386-I455 HydrophobicContact CB-CG1 4.2Å; M386-I455 HydrophobicContact CE-CD1 3.62Å; M386-I455 HydrophobicContact CE-CG1 3.83Å; M386-I455 HydrophobicContact CG-CD1 4.42Å; M386-I455 HydrophobicContact CG-CG1 3.99Å; I388-I455 HydrophobicContact CG2-CD1 3.68Å; F435-I455 HydrophobicContact CE2-CD1 4.02Å; F435-I455 HydrophobicContact CE2-CG2 4.19Å; F435-I455 HydrophobicContact CZ-CD1 3.74Å; F435-I455 HydrophobicContact CZ-CG2 3.79Å; V452-I455 HydrophobicContact CB-CB 4.06Å; V452-I455 HydrophobicContact CG1-CB 4.37Å; V452-I455 HydrophobicContact CG2-CB 4.33Å; V452-I455 WeakPolarHBondContact CG2-O 3.4Å; G453-I455 PolarHBondContact O-N 3.45Å; I455-L472 HydrophobicContact CG2-CD1 3.5Å; I455-L472 VanDerWaalsContact CG2-CD1 3.5Å; I455-D473 WeakPolarHBondContact CA-O 3.31Å; I455-V474 HydrophobicContact CG1-CG1 4.26Å; I455-V474 HydrophobicContact CG2-CG1 4.41Å |
| 456 | H | 98.8 | Very high | 97.6 | Very high | 62 Ų | 62 | 33.6 Ų | 33.6 | 29% | 0.287 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 115.8 | 168.5 | -71.4 | 171.1 | 0 | 0 | 0 | 109.7 | L472 D473 Y484 R545 | H456-L472 WeakPolarHBondContact O-CA 3.41Å; H456-D473 HydrophobicContact CB-CB 4.4Å; H456-D473 PolarHBondContact N-O 3.31Å; H456-D473 PolarHBondContact O-N 2.85Å; H456-Y484 HydrophobicContact CB-CD1 4.23Å; H456-Y484 HydrophobicContact CB-CE1 4.22Å; H456-Y484 AromaticContact CD2-CE1 3.67Å; H456-Y484 AromaticContact CD2-CZ 3.59Å; H456-Y484 AromaticContact CE1-CD2 3.7Å; H456-Y484 AromaticContact CE1-CE1 3.97Å; H456-Y484 AromaticContact CE1-CE2 3.33Å; H456-Y484 WeakPolarHBondContact CE1-CE2 3.03Å; H456-Y484 AromaticContact CE1-CZ 3.48Å; H456-Y484 VanDerWaalsContact CE1-CZ 3.48Å; H456-Y484 AromaticContact CG-CD1 3.89Å; H456-Y484 AromaticContact CG-CE1 3.64Å; H456-Y484 AromaticContact CG-CZ 3.9Å; H456-Y484 AromaticContact ND1-CD1 3.82Å; H456-Y484 AromaticContact ND1-CD2 3.84Å; H456-Y484 AromaticContact ND1-CE1 3.82Å; H456-Y484 AromaticContact ND1-CE2 3.83Å; H456-Y484 AromaticContact ND1-CG 3.82Å; H456-Y484 AromaticContact ND1-CZ 3.82Å; H456-Y484 AromaticContact NE2-CE1 3.91Å; H456-Y484 AromaticContact NE2-CE2 3.62Å; H456-Y484 AromaticContact NE2-CZ 3.33Å; H456-Y484 VanDerWaalsContact NE2-CZ 3.33Å; H456-Y484 PolarHBondContact NE2-OH 3.4Å; H456-R545 CarbonylContact C-O 3.57Å; H456-R545 WeakPolarHBondContact CA-O 3.48Å |
| 457 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.6 | -179 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | F435 Y459 V469 K471 L472 R545 I546 K547 | F435-V457 HydrophobicContact CD1-CG2 4.18Å; F435-V457 HydrophobicContact CE1-CB 4.49Å; F435-V457 HydrophobicContact CE1-CG1 4.33Å; V457-Y459 HydrophobicContact CG1-CE2 3.78Å; V457-Y459 HydrophobicContact CG2-CD1 4.27Å; V457-Y459 HydrophobicContact CG2-CD2 4.46Å; V457-Y459 HydrophobicContact CG2-CE1 3.8Å; V457-Y459 HydrophobicContact CG2-CE2 4Å; V457-V469 HydrophobicContact CG2-CG1 4.01Å; V457-K471 WeakPolarHBondContact CA-O 3.24Å; V457-L472 HydrophobicContact CB-CD1 3.77Å; V457-L472 HydrophobicContact CG2-CD1 3.88Å; V457-R545 PolarHBondContact N-O 3.44Å; V457-I546 HydrophobicContact CG1-CB 4.11Å; V457-I546 HydrophobicContact CG1-CG1 3.81Å; V457-I546 HydrophobicContact CG1-CG2 3.92Å; V457-K547 PolarHBondContact O-N 3.48Å |
| 458 | V | 98.8 | Very high | 98.1 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 20% | 0.2 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.4 | 172.2 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | V470 K471 K547 | V458-V470 HydrophobicContact CB-CG2 3.85Å; V458-V470 HydrophobicContact CG1-CG2 3.64Å; V458-V470 VanDerWaalsContact O-CG2 3.24Å; V458-V470 WeakPolarHBondContact O-CG2 3.12Å; V458-V470 PolarHBondContact O-N 2.81Å; V458-K471 HydrophobicContact CB-CB 3.85Å; V458-K471 HydrophobicContact CG2-CB 3.86Å; V458-K471 HydrophobicContact CG2-CD 4.34Å; V458-K471 PolarHBondContact N-O 3.04Å; V458-K471 PolarHBondContact O-N 3.32Å; V458-K547 CarbonylContact C-O 3.55Å; V458-K547 WeakPolarHBondContact CA-O 3.28Å; V458-K547 HydrophobicContact CG1-CB 4.32Å; V458-K547 HydrophobicContact CG2-CB 4.27Å |
| 459 | Y | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 150.7 | 177 | -58.3 | -73.4 | 0 | 0 | 0 | 112.1 | F435 V439 F449 V457 R468 V469 I546 K547 F548 S549 | F435-Y459 WeakPolarHBondContact CD1-OH 3.09Å; F435-Y459 WeakPolarHBondContact O-CE1 3.39Å; V439-Y459 HydrophobicContact CB-CD1 4.35Å; V439-Y459 HydrophobicContact CB-CE1 4.32Å; V439-Y459 HydrophobicContact CG1-CD1 3.89Å; V439-Y459 HydrophobicContact CG1-CD2 4.12Å; V439-Y459 HydrophobicContact CG1-CE1 3.67Å; V439-Y459 HydrophobicContact CG1-CE2 3.92Å; V439-Y459 HydrophobicContact CG1-CG 4.09Å; V439-Y459 HydrophobicContact CG2-CD1 3.57Å; V439-Y459 HydrophobicContact CG2-CE1 3.64Å; V439-Y459 HydrophobicContact CG2-CG 4.36Å; F449-Y459 HydrophobicContact CE2-CE2 4.26Å; V457-Y459 HydrophobicContact CG1-CE2 3.78Å; V457-Y459 HydrophobicContact CG2-CD1 4.27Å; V457-Y459 HydrophobicContact CG2-CD2 4.46Å; V457-Y459 HydrophobicContact CG2-CE1 3.8Å; V457-Y459 HydrophobicContact CG2-CE2 4Å; Y459-R468 CarbonylContact C-O 3.54Å; Y459-R468 VanDerWaalsContact CA-O 3.25Å; Y459-R468 WeakPolarHBondContact CA-O 3.15Å; Y459-V469 HydrophobicContact CD1-CB 4.5Å; Y459-V469 HydrophobicContact CD1-CG2 3.84Å; Y459-V469 HydrophobicContact CE1-CG2 3.62Å; Y459-I546 HydrophobicContact CD2-CG2 3.95Å; Y459-I546 HydrophobicContact CE2-CG2 3.59Å; Y459-K547 PolarHBondContact N-O 2.94Å; Y459-F548 HydrophobicContact CD2-CD1 4.26Å; Y459-F548 AromaticContact CD2-CE1 3.88Å; Y459-F548 HydrophobicContact CD2-CE1 3.88Å; Y459-F548 HydrophobicContact CD2-CZ 4.36Å; Y459-F548 HydrophobicContact CG-CE1 4.36Å; Y459-F548 CarbonylContact O-C 3.57Å; Y459-F548 WeakPolarHBondContact O-CA 3.35Å; Y459-S549 WeakPolarHBondContact O-CB 3.36Å; Y459-S549 PolarHBondContact O-N 3.37Å |
| 460 | D | 98.1 | Very high | 98.1 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | trans | -123 | 102.2 | 164 | -178.2 | -7.7 | 0 | 0 | 0 | 108.8 | S462 R463 R468 V470 | D460-S462 VanDerWaalsContact CG-OG 3.31Å; D460-S462 PolarHBondContact O-N 2.63Å; D460-S462 VanDerWaalsContact OD1-CB 3.31Å; D460-S462 WeakPolarHBondContact OD1-CB 3.1Å; D460-S462 PolarHBondContact OD1-N 3.04Å; D460-S462 PolarHBondContact OD1-OG 2.05Å; D460-S462 PolarHBondContact OD2-OG 3.34Å; D460-R463 HydrophobicContact CB-CG 4.1Å; D460-R463 WeakPolarHBondContact O-CB 3.37Å; D460-R463 PolarHBondContact O-N 2.95Å; D460-R468 PolarHBondContact N-O 3.48Å; D460-V470 HydrophobicContact CB-CG1 3.56Å | ||
| 461 | L | 96.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 28% | 0.277 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.1 | -175.9 | -61.4 | 178.4 | 0 | 0 | 0 | 113.3 | V439 Y442 R463 F548 | V439-L461 HydrophobicContact CB-CD2 4.24Å; Y442-L461 HydrophobicContact CD1-CD1 3.5Å; Y442-L461 HydrophobicContact CD1-CD2 4.23Å; Y442-L461 HydrophobicContact CE1-CD1 3.51Å; Y442-L461 HydrophobicContact CG-CD1 4.12Å; Y442-L461 HydrophobicContact CG-CD2 4.05Å; L461-R463 PolarHBondContact O-N 2.83Å; L461-F548 HydrophobicContact CD1-CD1 3.75Å; L461-F548 HydrophobicContact CD1-CE1 3.87Å; L461-F548 HydrophobicContact CD2-CD1 4.3Å; L461-F548 HydrophobicContact CD2-CE1 4.13Å; L461-F548 HydrophobicContact CG-CD1 3.85Å; L461-F548 HydrophobicContact CG-CE1 4.12Å |
| 462 | S | 96.3 | Very high | 98.1 | Very high | 83 Ų | 83 | 46.2 Ų | 46.2 | 58% | 0.58 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -20.9 | 174.3 | 75.1 | 0 | 0 | 0 | 0 | 112.3 | D460 | D460-S462 VanDerWaalsContact CG-OG 3.31Å; D460-S462 PolarHBondContact O-N 2.63Å; D460-S462 VanDerWaalsContact OD1-CB 3.31Å; D460-S462 WeakPolarHBondContact OD1-CB 3.1Å; D460-S462 PolarHBondContact OD1-N 3.04Å; D460-S462 PolarHBondContact OD1-OG 2.05Å; D460-S462 PolarHBondContact OD2-OG 3.34Å |
| 463 | R | 97.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 47 Ų | 47 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -76.1 | 158 | 175.9 | -59.3 | 175.3 | 71.2 | 98.1 | -5.2 | 110.9 | D460 L461 D467 R468 | D460-R463 HydrophobicContact CB-CG 4.1Å; D460-R463 WeakPolarHBondContact O-CB 3.37Å; D460-R463 PolarHBondContact O-N 2.95Å; L461-R463 PolarHBondContact O-N 2.83Å; R463-D467 WeakPolarHBondContact CB-O 3.42Å; R463-D467 WeakPolarHBondContact CD-O 3.39Å; R463-D467 IonicContact CZ-OD1 3.08Å; R463-D467 IonicContact CZ-OD2 3.86Å; R463-D467 VanDerWaalsContact CZ-OD2 3.28Å; R463-D467 PolarHBondContact NE-O 3.44Å; R463-D467 IonicContact NE-OD1 2.76Å; R463-D467 PolarHBondContact NE-OD1 3.4Å; R463-D467 IonicContact NE-OD2 3.8Å; R463-D467 PolarHBondContact NE-OD2 3.23Å; R463-D467 IonicContact NH2-OD1 3.85Å; R463-D467 PolarHBondContact NH2-OD1 2.86Å; R463-D467 IonicContact NH2-OD2 3.46Å; R463-D467 PolarHBondContact NH2-OD2 3.41Å; R463-R468 HydrophobicContact CB-CG 4.34Å; R463-R468 PolarHBondContact O-NE 3.16Å |
| 464 | K | 97.4 | Very high | 98.1 | Very high | 172 Ų | 172 | 47.1 Ų | 47.1 | 75% | 0.748 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 145.5 | 178.9 | -65.9 | -177.1 | -179.6 | 179.5 | 0 | 110.1 | G466 D467 | K464-G466 PolarHBondContact O-N 3.34Å; K464-D467 PolarHBondContact O-N 3.34Å; K464-D467 VanDerWaalsContact O-N 3.08Å |
| 465 | P | 97.6 | Very high | 98 | Very high | 79 Ų | 79 | 48.4 Ų | 48.4 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 136 | 171 | -26.8 | 34.9 | 0 | 0 | 0 | 111.6 | H440 | H440-P465 HydrophobicContact CB-CB 4.26Å; H440-P465 WeakPolarHBondContact O-CG 3.35Å |
| 466 | G | 97.1 | Very high | 97.8 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 54% | 0.536 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | -8.7 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | K464 | K464-G466 PolarHBondContact O-N 3.34Š|
| 467 | D | 98 | Very high | 97.4 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -141.2 | 36.9 | 177 | -179.4 | 31 | 0 | 0 | 0 | 111 | E436 R463 K464 | E436-D467 PolarHBondContact OE2-N 2.87Å; E436-D467 VanDerWaalsContact OE2-N 3.13Å; R463-D467 WeakPolarHBondContact CB-O 3.42Å; R463-D467 WeakPolarHBondContact CD-O 3.39Å; R463-D467 IonicContact CZ-OD1 3.08Å; R463-D467 IonicContact CZ-OD2 3.86Å; R463-D467 VanDerWaalsContact CZ-OD2 3.28Å; R463-D467 PolarHBondContact NE-O 3.44Å; R463-D467 IonicContact NE-OD1 2.76Å; R463-D467 PolarHBondContact NE-OD1 3.4Å; R463-D467 IonicContact NE-OD2 3.8Å; R463-D467 PolarHBondContact NE-OD2 3.23Å; R463-D467 IonicContact NH2-OD1 3.85Å; R463-D467 PolarHBondContact NH2-OD1 2.86Å; R463-D467 IonicContact NH2-OD2 3.46Å; R463-D467 PolarHBondContact NH2-OD2 3.41Å; K464-D467 PolarHBondContact O-N 3.34Å; K464-D467 VanDerWaalsContact O-N 3.08Å |
| 468 | R | 98.3 | Very high | 97 | Very high | 37 Ų | 37 | 55 Ų | 55 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | trans | -94 | -19.4 | -178.9 | -71 | -176.5 | 167 | 167.7 | -1.9 | 113.3 | E436 V439 H440 Y459 D460 R463 V470 | E436-R468 VanDerWaalsContact CD-N 3.35Å; E436-R468 PolarHBondContact OE1-N 3.11Å; E436-R468 PolarHBondContact OE2-N 2.91Å; V439-R468 HydrophobicContact CG2-CB 3.75Å; V439-R468 HydrophobicContact CG2-CG 4.49Å; V439-R468 PolarHBondContact O-NH1 3.25Å; H440-R468 PolarHBondContact O-NH1 2.85Å; H440-R468 VanDerWaalsContact O-NH1 3.08Å; Y459-R468 CarbonylContact C-O 3.54Å; Y459-R468 VanDerWaalsContact CA-O 3.25Å; Y459-R468 WeakPolarHBondContact CA-O 3.15Å; D460-R468 PolarHBondContact N-O 3.48Å; R463-R468 HydrophobicContact CB-CG 4.34Å; R463-R468 PolarHBondContact O-NE 3.16Å; R468-V470 PolarHBondContact O-N 2.84Å | ||
| 469 | V | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 107.7 | -180 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | K432 F435 E436 V457 Y459 L472 | K432-V469 HydrophobicContact CD-CB 4.1Å; K432-V469 HydrophobicContact CD-CG1 4Å; K432-V469 VanDerWaalsContact NZ-CB 3.27Å; K432-V469 PolarHBondContact NZ-O 3.48Å; F435-V469 HydrophobicContact CB-CG2 3.76Å; E436-V469 HydrophobicContact CG-CG2 4.04Å; E436-V469 VanDerWaalsContact OE1-CB 3.22Å; E436-V469 WeakPolarHBondContact OE1-CB 3.02Å; E436-V469 WeakPolarHBondContact OE1-CG2 3.47Å; E436-V469 PolarHBondContact OE1-N 3.44Å; V457-V469 HydrophobicContact CG2-CG1 4.01Å; Y459-V469 HydrophobicContact CD1-CB 4.5Å; Y459-V469 HydrophobicContact CD1-CG2 3.84Å; Y459-V469 HydrophobicContact CE1-CG2 3.62Å; V469-L472 HydrophobicContact CG1-CB 4.01Å; V469-L472 HydrophobicContact CG1-CD2 4.43Å |
| 470 | V | 98 | Very high | 96.2 | Very high | 68 Ų | 68 | 66.3 Ų | 66.3 | 41% | 0.412 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -24.6 | -180 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | V458 D460 R468 | V458-V470 HydrophobicContact CB-CG2 3.85Å; V458-V470 HydrophobicContact CG1-CG2 3.64Å; V458-V470 VanDerWaalsContact O-CG2 3.24Å; V458-V470 WeakPolarHBondContact O-CG2 3.12Å; V458-V470 PolarHBondContact O-N 2.81Å; D460-V470 HydrophobicContact CB-CG1 3.56Å; R468-V470 PolarHBondContact O-N 2.84Å |
| 471 | K | 98.4 | Very high | 96 | Very high | 106 Ų | 106 | 70.9 Ų | 70.9 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 141 | 175.3 | -166.5 | 178 | -173.2 | -146 | 0 | 110.3 | V457 V458 D473 | V457-K471 WeakPolarHBondContact CA-O 3.24Å; V458-K471 HydrophobicContact CB-CB 3.85Å; V458-K471 HydrophobicContact CG2-CB 3.86Å; V458-K471 HydrophobicContact CG2-CD 4.34Å; V458-K471 PolarHBondContact N-O 3.04Å; V458-K471 PolarHBondContact O-N 3.32Å; K471-D473 VanDerWaalsContact CE-CG 3.48Å; K471-D473 WeakPolarHBondContact CE-OD1 3.34Å; K471-D473 WeakPolarHBondContact CE-OD2 3.34Å; K471-D473 IonicContact NZ-OD1 3.67Å; K471-D473 IonicContact NZ-OD2 3.8Å; K471-D473 PolarHBondContact NZ-OD2 3.48Å |
| 472 | L | 98.7 | Very high | 95.9 | Very high | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 98.3 | 177.3 | -173.3 | 56.4 | 0 | 0 | 0 | 108.8 | K432 F435 I455 H456 V457 V469 L487 | K432-L472 HydrophobicContact CD-CD2 4.24Å; F435-L472 HydrophobicContact CB-CD2 4.32Å; F435-L472 HydrophobicContact CD2-CD1 3.77Å; F435-L472 HydrophobicContact CD2-CD2 3.51Å; F435-L472 HydrophobicContact CD2-CG 4.3Å; F435-L472 HydrophobicContact CE2-CD1 3.79Å; F435-L472 HydrophobicContact CE2-CD2 4.15Å; F435-L472 HydrophobicContact CG-CD1 4.17Å; F435-L472 HydrophobicContact CG-CD2 4.11Å; F435-L472 HydrophobicContact CZ-CD1 4.19Å; I455-L472 HydrophobicContact CG2-CD1 3.5Å; I455-L472 VanDerWaalsContact CG2-CD1 3.5Å; H456-L472 WeakPolarHBondContact O-CA 3.41Å; V457-L472 HydrophobicContact CB-CD1 3.77Å; V457-L472 HydrophobicContact CG2-CD1 3.88Å; V469-L472 HydrophobicContact CG1-CB 4.01Å; V469-L472 HydrophobicContact CG1-CD2 4.43Å; L472-L487 HydrophobicContact CB-CB 4.47Å; L472-L487 HydrophobicContact CD2-CD2 3.48Å; L472-L487 VanDerWaalsContact CD2-CD2 3.48Å; L472-L487 HydrophobicContact CG-CB 4.23Å; L472-L487 HydrophobicContact CG-CD2 4.06Å; L472-L487 VanDerWaalsContact O-CB 3.29Å; L472-L487 WeakPolarHBondContact O-CB 3.15Å; L472-L487 PolarHBondContact O-N 3.36Å |
| 473 | D | 98.8 | Very high | 95.9 | Very high | 16 Ų | 16 | 69.6 Ų | 69.6 | 9% | 0.086 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 146.9 | 175.7 | -54.5 | -33.5 | 0 | 0 | 0 | 109.8 | I455 H456 K471 Y484 D485 | I455-D473 WeakPolarHBondContact CA-O 3.31Å; H456-D473 HydrophobicContact CB-CB 4.4Å; H456-D473 PolarHBondContact N-O 3.31Å; H456-D473 PolarHBondContact O-N 2.85Å; K471-D473 VanDerWaalsContact CE-CG 3.48Å; K471-D473 WeakPolarHBondContact CE-OD1 3.34Å; K471-D473 WeakPolarHBondContact CE-OD2 3.34Å; K471-D473 IonicContact NZ-OD1 3.67Å; K471-D473 IonicContact NZ-OD2 3.8Å; K471-D473 PolarHBondContact NZ-OD2 3.48Å; D473-Y484 HydrophobicContact CB-CD1 4.14Å; D473-D485 CarbonylContact C-O 3.6Å; D473-D485 VanDerWaalsContact CA-O 3.3Å; D473-D485 WeakPolarHBondContact CA-O 3.26Å |
| 474 | V | 98.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.024 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.8 | -177.2 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | M386 I455 C476 Y484 D485 L487 Y493 | M386-V474 HydrophobicContact CE-CB 3.95Å; M386-V474 HydrophobicContact CE-CG1 3.45Å; M386-V474 VanDerWaalsContact CE-CG1 3.45Å; M386-V474 HydrophobicContact CG-CB 4.41Å; M386-V474 HydrophobicContact SD-CB 3.73Å; M386-V474 HydrophobicContact SD-CG1 3.96Å; M386-V474 HydrophobicContact SD-CG2 4.31Å; I455-V474 HydrophobicContact CG1-CG1 4.26Å; I455-V474 HydrophobicContact CG2-CG1 4.41Å; V474-C476 PolarHBondContact O-N 3.13Å; V474-Y484 WeakPolarHBondContact O-CA 3.48Å; V474-D485 PolarHBondContact N-O 3.31Å; V474-D485 PolarHBondContact O-N 2.97Å; V474-L487 HydrophobicContact CG1-CB 4.37Å; V474-L487 HydrophobicContact CG1-CD1 3.81Å; V474-L487 HydrophobicContact CG2-CD1 4.15Å; V474-Y493 HydrophobicContact CG2-CD1 4.13Å; V474-Y493 HydrophobicContact CG2-CE1 3.58Å |
| 475 | L | 97.2 | Very high | 96 | Very high | 33 Ų | 33 | 64.1 Ų | 64.1 | 17% | 0.173 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 118.4 | -179.1 | -163 | 71.7 | 0 | 0 | 0 | 110 | W381 S385 G454 P482 S483 Y484 | W381-L475 HydrophobicContact CH2-CD2 4.1Å; W381-L475 HydrophobicContact CZ2-CD2 3.79Å; W381-L475 HydrophobicContact CZ2-CG 4.31Å; S385-L475 PolarHBondContact OG-O 3.18Å; G454-L475 WeakPolarHBondContact O-CB 3.5Å; G454-L475 PolarHBondContact O-N 2.89Å; L475-P482 HydrophobicContact CD1-CB 3.84Å; L475-P482 HydrophobicContact CD2-CB 3.95Å; L475-P482 HydrophobicContact CG-CB 3.87Å; L475-S483 WeakPolarHBondContact CA-O 3.4Å; L475-Y484 HydrophobicContact CB-CE1 4.44Å; L475-Y484 HydrophobicContact CD1-CD2 4.08Å; L475-Y484 HydrophobicContact CD1-CE2 3.93Å |
| 476 | C | 94.6 | Very high | 96 | Very high | 19 Ų | 19 | 64.5 Ų | 64.5 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | trans | -57.6 | 142.4 | 179.3 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | W381 V474 C479 S483 | W381-C476 PolarHBondContact NE1-O 3.19Å; V474-C476 PolarHBondContact O-N 3.13Å; C476-C479 HydrophobicContact CB-CB 3.99Å; C476-C479 WeakPolarHBondContact CB-SG 3.41Å; C476-C479 PolarHBondContact O-SG 3.46Å; C476-C479 WeakPolarHBondContact SG-CB 3.25Å; C476-C479 CovalentContact SG-SG 2.04Å; C476-C479 PolarHBondContact SG-SG 3.08Å; C476-S483 PolarHBondContact N-O 2.64Å; C476-S483 PolarHBondContact SG-N 3.19Å; C476-S483 PolarHBondContact SG-O 3.13Å | ||
| 477 | T | 89.9 | Confident | 96.1 | Very high | 37 Ų | 37 | 63.1 Ų | 63.1 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -101.8 | -37.6 | 169.2 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | F380 W381 N382 S385 C479 | F380-T477 WeakPolarHBondContact CA-O 3.5Å; W381-T477 PolarHBondContact N-O 3.44Å; N382-T477 WeakPolarHBondContact O-CB 3.49Å; S385-T477 VanDerWaalsContact OG-CG2 3.26Å; S385-T477 WeakPolarHBondContact OG-CG2 3.48Å; T477-C479 PolarHBondContact O-N 3.38Å |
| 478 | K | 90.8 | Very high | 96.1 | Very high | 147 Ų | 147 | 64.8 Ų | 64.8 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -81.8 | 58 | 178.3 | -161.7 | 179.1 | 179.1 | 177.4 | 0 | 111.9 | M379 F380 | M379-K478 WeakPolarHBondContact O-CA 3.44Å; F380-K478 HydrophobicContact CD1-CB 4Å; F380-K478 HydrophobicContact CD1-CG 4.47Å; F380-K478 HydrophobicContact CE1-CB 3.57Å; F380-K478 HydrophobicContact CE1-CD 4.47Å; F380-K478 HydrophobicContact CE1-CG 3.99Å; F380-K478 HydrophobicContact CZ-CB 4.16Å; F380-K478 HydrophobicContact CZ-CD 4.22Å; F380-K478 HydrophobicContact CZ-CG 4.08Å |
| 479 | C | 90.7 | Very high | 96.1 | Very high | 29 Ų | 29 | 67.3 Ų | 67.3 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -153.4 | 155.2 | -176.8 | 55 | 0 | 0 | 0 | 0 | 109.5 | W381 C476 T477 | W381-C479 VanDerWaalsContact CD1-O 3.25Å; C476-C479 HydrophobicContact CB-CB 3.99Å; C476-C479 WeakPolarHBondContact CB-SG 3.41Å; C476-C479 PolarHBondContact O-SG 3.46Å; C476-C479 WeakPolarHBondContact SG-CB 3.25Å; C476-C479 CovalentContact SG-SG 2.04Å; C476-C479 PolarHBondContact SG-SG 3.08Å; T477-C479 PolarHBondContact O-N 3.38Å |
| 480 | R | 89.1 | Confident | 96.1 | Very high | 240 Ų | 240 | 74 Ų | 74 | 91% | 0.906 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -81.9 | -33.1 | 176 | -69.5 | -172.7 | 72 | -155.5 | 2.7 | 112.7 | ||
| 481 | V | 93.2 | Very high | 96.1 | Very high | 114 Ų | 114 | 74.8 Ų | 74.8 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -116.9 | 116.2 | 176.8 | -179.3 | 0 | 0 | 0 | 0 | 106.8 | S483 | V481-S483 PolarHBondContact O-N 3.44Š|
| 482 | P | 95.2 | Very high | 96 | Very high | 57 Ų | 57 | 74.3 Ų | 74.3 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | trans | -60.7 | 125.9 | 179 | -19.5 | 29.8 | 0 | 0 | 0 | 111.3 | W381 L475 | W381-P482 HydrophobicContact CD2-CG 3.73Å; W381-P482 HydrophobicContact CE3-CG 4.31Å; W381-P482 HydrophobicContact CG-CG 3.99Å; W381-P482 HydrophobicContact CZ2-CB 3.99Å; W381-P482 HydrophobicContact CZ2-CG 3.97Å; L475-P482 HydrophobicContact CD1-CB 3.84Å; L475-P482 HydrophobicContact CD2-CB 3.95Å; L475-P482 HydrophobicContact CG-CB 3.87Å | ||
| 483 | S | 96.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 74.9 Ų | 74.9 | 37% | 0.371 | 38% | 0.378 | S | S | . | . | trans | -138.6 | 157.9 | 177.2 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | L475 C476 V481 | L475-S483 WeakPolarHBondContact CA-O 3.4Å; C476-S483 PolarHBondContact N-O 2.64Å; C476-S483 PolarHBondContact SG-N 3.19Å; C476-S483 PolarHBondContact SG-O 3.13Å; V481-S483 PolarHBondContact O-N 3.44Å | ||
| 484 | Y | 98.3 | Very high | 95.7 | Very high | 80 Ų | 80 | 77.6 Ų | 77.6 | 31% | 0.314 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 119.3 | 175.6 | -77.1 | -85 | 0 | 0 | 0 | 110.7 | H456 D473 V474 L475 | H456-Y484 HydrophobicContact CB-CD1 4.23Å; H456-Y484 HydrophobicContact CB-CE1 4.22Å; H456-Y484 AromaticContact CD2-CE1 3.67Å; H456-Y484 AromaticContact CD2-CZ 3.59Å; H456-Y484 AromaticContact CE1-CD2 3.7Å; H456-Y484 AromaticContact CE1-CE1 3.97Å; H456-Y484 AromaticContact CE1-CE2 3.33Å; H456-Y484 WeakPolarHBondContact CE1-CE2 3.03Å; H456-Y484 AromaticContact CE1-CZ 3.48Å; H456-Y484 VanDerWaalsContact CE1-CZ 3.48Å; H456-Y484 AromaticContact CG-CD1 3.89Å; H456-Y484 AromaticContact CG-CE1 3.64Å; H456-Y484 AromaticContact CG-CZ 3.9Å; H456-Y484 AromaticContact ND1-CD1 3.82Å; H456-Y484 AromaticContact ND1-CD2 3.84Å; H456-Y484 AromaticContact ND1-CE1 3.82Å; H456-Y484 AromaticContact ND1-CE2 3.83Å; H456-Y484 AromaticContact ND1-CG 3.82Å; H456-Y484 AromaticContact ND1-CZ 3.82Å; H456-Y484 AromaticContact NE2-CE1 3.91Å; H456-Y484 AromaticContact NE2-CE2 3.62Å; H456-Y484 AromaticContact NE2-CZ 3.33Å; H456-Y484 VanDerWaalsContact NE2-CZ 3.33Å; H456-Y484 PolarHBondContact NE2-OH 3.4Å; D473-Y484 HydrophobicContact CB-CD1 4.14Å; V474-Y484 WeakPolarHBondContact O-CA 3.48Å; L475-Y484 HydrophobicContact CB-CE1 4.44Å; L475-Y484 HydrophobicContact CD1-CD2 4.08Å; L475-Y484 HydrophobicContact CD1-CE2 3.93Å |
| 485 | D | 97.8 | Very high | 95.7 | Very high | 78 Ų | 78 | 77.4 Ų | 77.4 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 151 | 173.2 | -67 | -45.9 | 0 | 0 | 0 | 110.1 | D473 V474 L487 | D473-D485 CarbonylContact C-O 3.6Å; D473-D485 VanDerWaalsContact CA-O 3.3Å; D473-D485 WeakPolarHBondContact CA-O 3.26Å; V474-D485 PolarHBondContact N-O 3.31Å; V474-D485 PolarHBondContact O-N 2.97Å; D485-L487 PolarHBondContact O-N 2.82Å |
| 486 | P | 98.5 | Very high | 95.7 | Very high | 87 Ų | 87 | 75.9 Ų | 75.9 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 135.7 | 175.2 | -24.9 | 34.6 | 0 | 0 | 0 | 112 | K488 | P486-K488 PolarHBondContact O-N 2.99Å |
| 487 | L | 98.5 | Very high | 95.9 | Very high | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.12 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 128.6 | 173.5 | -175.7 | 80.2 | 0 | 0 | 0 | 110.3 | G428 L431 K432 L472 V474 D485 Y493 | G428-L487 VanDerWaalsContact O-CD2 3.32Å; G428-L487 WeakPolarHBondContact O-CD2 3.47Å; L431-L487 HydrophobicContact CB-CD2 4.16Å; L431-L487 HydrophobicContact CD1-CD1 4.14Å; K432-L487 HydrophobicContact CB-CD2 4.39Å; L472-L487 HydrophobicContact CB-CB 4.47Å; L472-L487 HydrophobicContact CD2-CD2 3.48Å; L472-L487 VanDerWaalsContact CD2-CD2 3.48Å; L472-L487 HydrophobicContact CG-CB 4.23Å; L472-L487 HydrophobicContact CG-CD2 4.06Å; L472-L487 VanDerWaalsContact O-CB 3.29Å; L472-L487 WeakPolarHBondContact O-CB 3.15Å; L472-L487 PolarHBondContact O-N 3.36Å; V474-L487 HydrophobicContact CG1-CB 4.37Å; V474-L487 HydrophobicContact CG1-CD1 3.81Å; V474-L487 HydrophobicContact CG2-CD1 4.15Å; D485-L487 PolarHBondContact O-N 2.82Å; L487-Y493 HydrophobicContact CD1-CD1 4.38Å; L487-Y493 HydrophobicContact CD1-CD2 3.7Å; L487-Y493 HydrophobicContact CD1-CE1 4.1Å; L487-Y493 HydrophobicContact CD1-CE2 3.34Å; L487-Y493 HydrophobicContact CD1-CG 4.2Å; L487-Y493 HydrophobicContact CG-CE2 4.2Å |
| 488 | K | 98.5 | Very high | 96.2 | Very high | 114 Ų | 114 | 73.8 Ų | 73.8 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 129.2 | 175.9 | -66.4 | 167 | -176.8 | 177.5 | 0 | 110.1 | G428 P486 D490 E491 Y493 | G428-K488 WeakPolarHBondContact CA-O 3.18Å; P486-K488 PolarHBondContact O-N 2.99Å; K488-D490 VanDerWaalsContact C-N 3.32Å; K488-D490 PolarHBondContact O-N 2.89Å; K488-E491 HydrophobicContact CB-CB 4.11Å; K488-E491 HydrophobicContact CB-CG 3.91Å; K488-E491 HydrophobicContact CD-CG 3.94Å; K488-E491 WeakPolarHBondContact CD-OE1 3.5Å; K488-E491 IonicContact NZ-OE1 3.92Å; K488-E491 PolarHBondContact NZ-OE1 2.9Å; K488-E491 PolarHBondContact O-N 2.79Å; K488-Y493 PolarHBondContact N-OH 3.12Å; K488-Y493 WeakPolarHBondContact O-CE2 3.22Å |
| 489 | M | 98.4 | Very high | 96.1 | Very high | 91 Ų | 91 | 69 Ų | 69 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -38.2 | -170.3 | -61.2 | -61.5 | -83.1 | 0 | 0 | 113.5 | G428 S429 K432 | G428-M489 CarbonylContact C-O 3.59Å; G428-M489 PolarHBondContact N-O 2.66Å; S429-M489 PolarHBondContact N-O 2.91Å; K432-M489 HydrophobicContact CB-CE 4.07Å; K432-M489 HydrophobicContact CB-SD 4.07Å; K432-M489 HydrophobicContact CG-CE 4.17Å; K432-M489 HydrophobicContact CG-SD 4.35Å |
| 490 | D | 97.8 | Very high | 96.2 | Very high | 144 Ų | 144 | 70.5 Ų | 70.5 | 77% | 0.77 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -8.7 | -175.2 | -59.8 | -48.4 | 0 | 0 | 0 | 113.9 | K488 | K488-D490 VanDerWaalsContact C-N 3.32Å; K488-D490 PolarHBondContact O-N 2.89Å |
| 491 | E | 97.7 | Very high | 96.6 | Very high | 85 Ų | 85 | 59.1 Ų | 59.1 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -78.2 | 152.4 | 175.5 | -72.5 | -167.7 | -175.1 | 0 | 0 | 111.3 | K427 G428 K488 Y493 | K427-E491 CarbonylContact C-O 3.4Å; K427-E491 WeakPolarHBondContact CA-O 3.48Å; G428-E491 PolarHBondContact N-O 2.91Å; K488-E491 HydrophobicContact CB-CB 4.11Å; K488-E491 HydrophobicContact CB-CG 3.91Å; K488-E491 HydrophobicContact CD-CG 3.94Å; K488-E491 WeakPolarHBondContact CD-OE1 3.5Å; K488-E491 IonicContact NZ-OE1 3.92Å; K488-E491 PolarHBondContact NZ-OE1 2.9Å; K488-E491 PolarHBondContact O-N 2.79Å; E491-Y493 HydrophobicContact CB-CE2 3.75Å; E491-Y493 WeakPolarHBondContact O-CD2 3.37Å; E491-Y493 PolarHBondContact OE2-OH 2.86Å |
| 492 | I | 97.1 | Very high | 96.5 | Very high | 95 Ų | 95 | 53.7 Ų | 53.7 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.2 | 178.5 | -61 | 169.1 | 0 | 0 | 0 | 108.6 | Q425 L426 L516 | Q425-I492 HydrophobicContact CB-CG2 4.03Å; L426-I492 WeakPolarHBondContact O-CA 3.44Å; I492-L516 HydrophobicContact CD1-CD1 3.54Å; I492-L516 HydrophobicContact CG1-CD1 3.74Å; I492-L516 HydrophobicContact CG2-CD1 4.08Å |
| 493 | Y | 96.8 | Very high | 96.1 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.6 | 179.2 | -61.9 | -87.7 | 0 | 0 | 0 | 110 | M386 Q425 L426 L431 V474 L487 K488 E491 | M386-Y493 HydrophobicContact SD-CD1 3.88Å; M386-Y493 HydrophobicContact SD-CG 4.32Å; Q425-Y493 WeakPolarHBondContact CA-O 3.47Å; L426-Y493 PolarHBondContact N-O 3.09Å; L426-Y493 PolarHBondContact O-N 2.64Å; L431-Y493 HydrophobicContact CD1-CD2 4.05Å; L431-Y493 HydrophobicContact CD1-CG 4.05Å; V474-Y493 HydrophobicContact CG2-CD1 4.13Å; V474-Y493 HydrophobicContact CG2-CE1 3.58Å; L487-Y493 HydrophobicContact CD1-CD1 4.38Å; L487-Y493 HydrophobicContact CD1-CD2 3.7Å; L487-Y493 HydrophobicContact CD1-CE1 4.1Å; L487-Y493 HydrophobicContact CD1-CE2 3.34Å; L487-Y493 HydrophobicContact CD1-CG 4.2Å; L487-Y493 HydrophobicContact CG-CE2 4.2Å; K488-Y493 PolarHBondContact N-OH 3.12Å; K488-Y493 WeakPolarHBondContact O-CE2 3.22Å; E491-Y493 HydrophobicContact CB-CE2 3.75Å; E491-Y493 WeakPolarHBondContact O-CD2 3.37Å; E491-Y493 PolarHBondContact OE2-OH 2.86Å |
| 494 | K | 94.8 | Very high | 95.9 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 32% | 0.317 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124 | 170.3 | -75.2 | 167.2 | 179.1 | 179.3 | 0 | 108.2 | H383 V384 L423 V424 Q425 | H383-K494 WeakPolarHBondContact O-CD 3.49Å; V384-K494 HydrophobicContact CG1-CB 4.4Å; V384-K494 HydrophobicContact CG2-CB 4.07Å; V384-K494 HydrophobicContact CG2-CD 4.46Å; L423-K494 HydrophobicContact CD1-CB 4.18Å; V424-K494 WeakPolarHBondContact O-CA 3.34Å; Q425-K494 HydrophobicContact CG-CG 3.82Å |
| 495 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.2 | -175.2 | -175 | 0 | 0 | 0 | 0 | 109.6 | M386 I388 V424 L431 | M386-V495 HydrophobicContact CB-CG1 4.41Å; M386-V495 HydrophobicContact CB-CG2 4.14Å; M386-V495 HydrophobicContact CE-CG2 3.84Å; M386-V495 HydrophobicContact SD-CG2 4.38Å; I388-V495 HydrophobicContact CD1-CG1 4.34Å; I388-V495 HydrophobicContact CG1-CG1 3.93Å; I388-V495 HydrophobicContact CG2-CG1 4.24Å; V424-V495 HydrophobicContact CG2-CB 4.37Å; V424-V495 WeakPolarHBondContact CG2-O 3.44Å; V424-V495 PolarHBondContact N-O 3.21Å; V424-V495 PolarHBondContact O-N 3.35Å; L431-V495 HydrophobicContact CD1-CG2 3.88Å; L431-V495 HydrophobicContact CD2-CG2 3.85Å; L431-V495 HydrophobicContact CG-CG2 4.42Å |
| 496 | I | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.1 | 172.9 | -42.2 | 170.8 | 0 | 0 | 0 | 108.1 | M368 I369 N372 V384 M386 C387 I388 F421 D422 L423 | M368-I496 HydrophobicContact CB-CB 4.49Å; M368-I496 HydrophobicContact CB-CD1 4.48Å; M368-I496 HydrophobicContact CB-CG2 4.08Å; M368-I496 HydrophobicContact CE-CB 4.03Å; M368-I496 HydrophobicContact CE-CG2 3.61Å; M368-I496 VanDerWaalsContact O-CD1 3.3Å; M368-I496 WeakPolarHBondContact O-CD1 3.26Å; I369-I496 HydrophobicContact CG1-CD1 4.3Å; N372-I496 HydrophobicContact CB-CD1 3.54Å; V384-I496 HydrophobicContact CB-CD1 4.47Å; V384-I496 HydrophobicContact CB-CG1 4.49Å; V384-I496 HydrophobicContact CG1-CD1 3.77Å; V384-I496 HydrophobicContact CG1-CG1 3.45Å; V384-I496 VanDerWaalsContact CG1-CG1 3.45Å; M386-I496 PolarHBondContact O-N 2.64Å; C387-I496 VanDerWaalsContact CA-O 3.28Å; C387-I496 WeakPolarHBondContact CA-O 3.04Å; I388-I496 PolarHBondContact N-O 3.12Å; F421-I496 HydrophobicContact CB-CG2 4.12Å; D422-I496 VanDerWaalsContact O-CA 3.29Å; D422-I496 WeakPolarHBondContact O-CA 3.13Å; D422-I496 WeakPolarHBondContact O-CG2 3.49Å; L423-I496 HydrophobicContact CD1-CG1 4.29Å |
| 497 | L | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 160 | -179.8 | 73.1 | 175.9 | 0 | 0 | 0 | 111 | I388 F421 D422 V424 L501 I511 | I388-L497 HydrophobicContact CD1-CB 4.37Å; I388-L497 HydrophobicContact CD1-CD1 4.22Å; I388-L497 HydrophobicContact CG1-CB 3.68Å; I388-L497 HydrophobicContact CG1-CD1 4.43Å; I388-L497 WeakPolarHBondContact O-CA 3.29Å; F421-L497 CarbonylContact C-O 3.6Å; D422-L497 PolarHBondContact N-O 3.23Å; D422-L497 PolarHBondContact O-N 3.37Å; V424-L497 HydrophobicContact CB-CD2 4.04Å; V424-L497 HydrophobicContact CG1-CD2 3.63Å; V424-L497 HydrophobicContact CG2-CD1 4.32Å; V424-L497 HydrophobicContact CG2-CD2 3.34Å; V424-L497 HydrophobicContact CG2-CG 4.5Å; L497-L501 HydrophobicContact CD1-CB 3.7Å; L497-L501 HydrophobicContact CG-CB 4.25Å; L497-I511 HydrophobicContact CD1-CD1 3.88Å; L497-I511 HydrophobicContact CD1-CG2 3.92Å |
| 498 | P | 97.4 | Very high | 94.9 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 141.5 | 170.9 | -22.4 | 32.1 | 0 | 0 | 0 | 112 | I388 L389 T420 F421 F500 L501 A502 | I388-P498 WeakPolarHBondContact O-CD 3.31Å; L389-P498 HydrophobicContact CD1-CG 3.47Å; L389-P498 VanDerWaalsContact CD1-CG 3.47Å; T420-P498 CarbonylContact O-C 3.55Å; T420-P498 WeakPolarHBondContact O-CA 3.45Å; F421-P498 HydrophobicContact CD1-CB 4.49Å; F421-P498 HydrophobicContact CD1-CG 4.27Å; F421-P498 HydrophobicContact CE1-CG 4.2Å; P498-F500 HydrophobicContact CB-CB 4.34Å; P498-F500 PolarHBondContact O-N 2.94Å; P498-F500 VanDerWaalsContact O-N 3.11Å; P498-L501 PolarHBondContact O-N 2.86Å; P498-A502 PolarHBondContact O-N 2.04Å; P498-A502 VanDerWaalsContact O-N 3.17Å |
| 499 | N | 89.1 | Confident | 94.8 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -54 | -30.7 | 172.6 | 70.6 | -29.6 | 0 | 0 | 0 | 112.6 | T420 D422 L501 A502 N503 | T420-N499 PolarHBondContact N-OD1 2.92Å; T420-N499 PolarHBondContact O-N 3.43Å; T420-N499 WeakPolarHBondContact OG1-CB 3.14Å; D422-N499 WeakPolarHBondContact OD2-CB 3.38Å; N499-L501 VanDerWaalsContact C-N 3.34Å; N499-L501 PolarHBondContact O-N 2.86Å; N499-A502 PolarHBondContact O-N 3.18Å; N499-N503 WeakPolarHBondContact O-CB 3.39Å; N499-N503 VanDerWaalsContact O-CG 3.32Å; N499-N503 PolarHBondContact O-N 3.29Å; N499-N503 PolarHBondContact O-ND2 2.9Å |
| 500 | F | 92.1 | Very high | 94.8 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 27% | 0.268 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -53.2 | -48.2 | 171.5 | 176 | -104.5 | 0 | 0 | 0 | 112.2 | F183 P498 N503 G504 G505 D506 | F183-F500 WeakPolarHBondContact O-CE2 3.3Å; F183-F500 WeakPolarHBondContact O-CZ 3.32Å; P498-F500 HydrophobicContact CB-CB 4.34Å; P498-F500 PolarHBondContact O-N 2.94Å; P498-F500 VanDerWaalsContact O-N 3.11Å; F500-N503 PolarHBondContact O-N 2.95Å; F500-G504 PolarHBondContact O-N 2.69Å; F500-G505 VanDerWaalsContact CZ-CA 3.5Å; F500-G505 WeakPolarHBondContact O-CA 3.29Å; F500-G505 PolarHBondContact O-N 2.91Å; F500-D506 HydrophobicContact CE1-CB 3.85Å; F500-D506 HydrophobicContact CZ-CB 4.33Å; F500-D506 VanDerWaalsContact CZ-N 3.27Å |
| 501 | L | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.7 | -38.6 | 177.4 | -64.7 | -170.8 | 0 | 0 | 0 | 112.3 | N390 L450 L497 P498 N499 N503 G504 D506 F508 I511 | N390-L501 HydrophobicContact CB-CD1 4.06Å; N390-L501 HydrophobicContact CB-CD2 3.93Å; N390-L501 HydrophobicContact CB-CG 4.36Å; L450-L501 HydrophobicContact CD2-CD1 3.93Å; L497-L501 HydrophobicContact CD1-CB 3.7Å; L497-L501 HydrophobicContact CG-CB 4.25Å; P498-L501 PolarHBondContact O-N 2.86Å; N499-L501 VanDerWaalsContact C-N 3.34Å; N499-L501 PolarHBondContact O-N 2.86Å; L501-N503 PolarHBondContact O-N 2.71Å; L501-G504 PolarHBondContact O-N 2.71Å; L501-D506 HydrophobicContact CD2-CB 4.43Å; L501-F508 HydrophobicContact CD2-CB 4.46Å; L501-F508 HydrophobicContact CD2-CD2 3.46Å; L501-F508 VanDerWaalsContact CD2-CD2 3.46Å; L501-F508 HydrophobicContact CD2-CE2 3.81Å; L501-F508 HydrophobicContact CD2-CG 4.09Å; L501-I511 HydrophobicContact CB-CD1 4.48Å |
| 502 | A | 91.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -34 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V424 P498 N499 G504 | V424-A502 HydrophobicContact CG1-CB 4.22Å; P498-A502 PolarHBondContact O-N 2.04Å; P498-A502 VanDerWaalsContact O-N 3.17Å; N499-A502 PolarHBondContact O-N 3.18Å; A502-G504 VanDerWaalsContact C-N 3.3Å; A502-G504 PolarHBondContact O-N 2.62Å |
| 503 | N | 87.9 | Confident | 94.5 | Very high | 87 Ų | 87 | 32.4 Ų | 32.4 | 47% | 0.465 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 9.1 | 177.2 | -69.3 | -45.1 | 0 | 0 | 0 | 114.4 | N499 F500 L501 K512 | N499-N503 WeakPolarHBondContact O-CB 3.39Å; N499-N503 VanDerWaalsContact O-CG 3.32Å; N499-N503 PolarHBondContact O-N 3.29Å; N499-N503 PolarHBondContact O-ND2 2.9Å; F500-N503 PolarHBondContact O-N 2.95Å; L501-N503 PolarHBondContact O-N 2.71Å; N503-K512 WeakPolarHBondContact O-CD 3.44Å |
| 504 | G | 91.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 13.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F500 L501 A502 G507 F508 | F500-G504 PolarHBondContact O-N 2.69Å; L501-G504 PolarHBondContact O-N 2.71Å; A502-G504 VanDerWaalsContact C-N 3.3Å; A502-G504 PolarHBondContact O-N 2.62Å; G504-G507 PolarHBondContact O-N 2.7Å; G504-F508 PolarHBondContact O-N 2.98Å |
| 505 | G | 88.3 | Confident | 94.4 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 6% | 0.062 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -57 | 159.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F500 G507 F508 | F500-G505 VanDerWaalsContact CZ-CA 3.5Å; F500-G505 WeakPolarHBondContact O-CA 3.29Å; F500-G505 PolarHBondContact O-N 2.91Å; G505-G507 PolarHBondContact O-N 3.49Å; G505-F508 WeakPolarHBondContact O-CB 3.33Å; G505-F508 WeakPolarHBondContact O-CD2 3.44Å; G505-F508 PolarHBondContact O-N 2.97Å |
| 506 | D | 93 | Very high | 94.2 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | 53.9 | 20.8 | -173.2 | -85.7 | -12.9 | 0 | 0 | 0 | 113.9 | N390 H437 G447 E448 F500 L501 F508 | N390-D506 PolarHBondContact ND2-OD2 3.33Å; H437-D506 PolarHBondContact NE2-O 3.24Å; G447-D506 VanDerWaalsContact C-OD2 3.29Å; E448-D506 HydrophobicContact CB-CB 4.26Å; F500-D506 HydrophobicContact CE1-CB 3.85Å; F500-D506 HydrophobicContact CZ-CB 4.33Å; F500-D506 VanDerWaalsContact CZ-N 3.27Å; L501-D506 HydrophobicContact CD2-CB 4.43Å; D506-F508 VanDerWaalsContact C-N 3.33Å; D506-F508 HydrophobicContact CB-CD2 3.82Å; D506-F508 HydrophobicContact CB-CE2 3.95Å |
| 507 | G | 93.5 | Very high | 93.5 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | 77.2 | 14.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G504 G505 Q509 | G504-G507 PolarHBondContact O-N 2.7Å; G505-G507 PolarHBondContact O-N 3.49Å; G507-Q509 PolarHBondContact O-N 3.45Å |
| 508 | F | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -74.3 | 44.8 | 174.2 | -74.6 | -90.5 | 0 | 0 | 0 | 113 | A434 H437 E448 L450 L501 G504 G505 D506 M510 I511 | A434-F508 HydrophobicContact CB-CD1 4Å; A434-F508 HydrophobicContact CB-CE1 4Å; A434-F508 WeakPolarHBondContact O-CE1 3.48Å; H437-F508 HydrophobicContact CB-CE1 4.43Å; H437-F508 AromaticContact CD2-CD1 3.82Å; H437-F508 AromaticContact CD2-CD2 3.81Å; H437-F508 AromaticContact CD2-CE1 3.7Å; H437-F508 AromaticContact CD2-CE2 3.73Å; H437-F508 AromaticContact CD2-CG 3.9Å; H437-F508 AromaticContact CD2-CZ 3.67Å; E448-F508 HydrophobicContact CB-CE2 3.64Å; E448-F508 HydrophobicContact CB-CZ 4.04Å; E448-F508 VanDerWaalsContact O-CZ 3.31Å; E448-F508 WeakPolarHBondContact O-CZ 3.27Å; L450-F508 HydrophobicContact CD1-CE1 3.93Å; L450-F508 HydrophobicContact CD1-CZ 4.13Å; L450-F508 HydrophobicContact CD2-CE1 4.12Å; L450-F508 HydrophobicContact CD2-CE2 4.37Å; L450-F508 HydrophobicContact CD2-CZ 3.65Å; L450-F508 HydrophobicContact CG-CE1 4.19Å; L450-F508 HydrophobicContact CG-CZ 3.86Å; L501-F508 HydrophobicContact CD2-CB 4.46Å; L501-F508 HydrophobicContact CD2-CD2 3.46Å; L501-F508 VanDerWaalsContact CD2-CD2 3.46Å; L501-F508 HydrophobicContact CD2-CE2 3.81Å; L501-F508 HydrophobicContact CD2-CG 4.09Å; G504-F508 PolarHBondContact O-N 2.98Å; G505-F508 WeakPolarHBondContact O-CB 3.33Å; G505-F508 WeakPolarHBondContact O-CD2 3.44Å; G505-F508 PolarHBondContact O-N 2.97Å; D506-F508 VanDerWaalsContact C-N 3.33Å; D506-F508 HydrophobicContact CB-CD2 3.82Å; D506-F508 HydrophobicContact CB-CE2 3.95Å; F508-M510 VanDerWaalsContact C-SD 3.53Å; F508-M510 VanDerWaalsContact CA-SD 3.56Å; F508-M510 HydrophobicContact CB-SD 3.98Å; F508-M510 HydrophobicContact CD1-CE 4.49Å; F508-M510 HydrophobicContact CD1-SD 3.81Å; F508-M510 HydrophobicContact CG-SD 4.32Å; F508-M510 PolarHBondContact O-N 2.92Å; F508-M510 VanDerWaalsContact O-N 3.16Å; F508-I511 HydrophobicContact CB-CB 4.5Å; F508-I511 HydrophobicContact CB-CD1 3.91Å; F508-I511 HydrophobicContact CB-CG1 4.17Å; F508-I511 HydrophobicContact CD1-CD1 3.78Å; F508-I511 HydrophobicContact CD1-CG1 4.35Å; F508-I511 HydrophobicContact CG-CD1 4.14Å; F508-I511 WeakPolarHBondContact O-CB 3.3Å; F508-I511 PolarHBondContact O-N 2.94Å | ||
| 509 | Q | 95.6 | Very high | 92.2 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 33% | 0.327 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.7 | -31.8 | -177.2 | -169.4 | 63.5 | 45.6 | 0 | 0 | 112.1 | G507 I511 K512 D513 | G507-Q509 PolarHBondContact O-N 3.45Å; Q509-I511 PolarHBondContact O-N 3.26Å; Q509-K512 PolarHBondContact O-N 3.32Å; Q509-D513 VanDerWaalsContact CG-OD2 3.32Å; Q509-D513 WeakPolarHBondContact CG-OD2 3.29Å; Q509-D513 VanDerWaalsContact NE2-CG 3.3Å; Q509-D513 PolarHBondContact NE2-OD1 2.94Å; Q509-D513 PolarHBondContact NE2-OD2 3.2Å; Q509-D513 WeakPolarHBondContact O-CB 3.27Å; Q509-D513 PolarHBondContact O-N 3.49Å |
| 510 | M | 98.2 | Very high | 91.7 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -30.4 | 174.8 | 79.2 | -60.5 | -64.7 | 0 | 0 | 112.8 | T430 K433 A434 H437 F508 E514 | T430-M510 HydrophobicContact CG2-CG 4.23Å; T430-M510 WeakPolarHBondContact CG2-O 3.4Å; K433-M510 HydrophobicContact CB-CG 4Å; K433-M510 HydrophobicContact CD-CB 4.48Å; A434-M510 HydrophobicContact CB-SD 4.19Å; H437-M510 HydrophobicContact CB-CE 3.8Å; F508-M510 VanDerWaalsContact C-SD 3.53Å; F508-M510 VanDerWaalsContact CA-SD 3.56Å; F508-M510 HydrophobicContact CB-SD 3.98Å; F508-M510 HydrophobicContact CD1-CE 4.49Å; F508-M510 HydrophobicContact CD1-SD 3.81Å; F508-M510 HydrophobicContact CG-SD 4.32Å; F508-M510 PolarHBondContact O-N 2.92Å; F508-M510 VanDerWaalsContact O-N 3.16Å; M510-E514 WeakPolarHBondContact O-CB 3.39Å; M510-E514 WeakPolarHBondContact O-CG 3.47Å; M510-E514 PolarHBondContact O-N 3.14Å; M510-E514 VanDerWaalsContact O-N 3.12Å |
| 511 | I | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.9 | -52.9 | 174.9 | -63.3 | -177.8 | 0 | 0 | 0 | 109 | I388 L426 A434 L497 L501 F508 Q509 D513 L515 | I388-I511 HydrophobicContact CD1-CD1 4.1Å; L426-I511 HydrophobicContact CD2-CG2 4.27Å; A434-I511 HydrophobicContact CB-CD1 4.33Å; A434-I511 HydrophobicContact CB-CG1 4.37Å; L497-I511 HydrophobicContact CD1-CD1 3.88Å; L497-I511 HydrophobicContact CD1-CG2 3.92Å; L501-I511 HydrophobicContact CB-CD1 4.48Å; F508-I511 HydrophobicContact CB-CB 4.5Å; F508-I511 HydrophobicContact CB-CD1 3.91Å; F508-I511 HydrophobicContact CB-CG1 4.17Å; F508-I511 HydrophobicContact CD1-CD1 3.78Å; F508-I511 HydrophobicContact CD1-CG1 4.35Å; F508-I511 HydrophobicContact CG-CD1 4.14Å; F508-I511 WeakPolarHBondContact O-CB 3.3Å; F508-I511 PolarHBondContact O-N 2.94Å; Q509-I511 PolarHBondContact O-N 3.26Å; I511-D513 VanDerWaalsContact C-N 3.34Å; I511-D513 PolarHBondContact O-N 2.85Å; I511-L515 WeakPolarHBondContact O-CB 3.42Å; I511-L515 WeakPolarHBondContact O-CD2 3.46Å; I511-L515 WeakPolarHBondContact O-CG 3.43Å; I511-L515 PolarHBondContact O-N 3.33Å |
| 512 | K | 93.5 | Very high | 90.4 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | -179.2 | 177.8 | 170.5 | -178.9 | 172.9 | 0 | 113 | N503 Q509 | N503-K512 WeakPolarHBondContact O-CD 3.44Å; Q509-K512 PolarHBondContact O-N 3.32Å |
| 513 | D | 96 | Very high | 90 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 59% | 0.594 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -80.4 | -30.5 | -174.1 | -69.4 | -10 | 0 | 0 | 0 | 113 | Q509 I511 | Q509-D513 VanDerWaalsContact CG-OD2 3.32Å; Q509-D513 WeakPolarHBondContact CG-OD2 3.29Å; Q509-D513 VanDerWaalsContact NE2-CG 3.3Å; Q509-D513 PolarHBondContact NE2-OD1 2.94Å; Q509-D513 PolarHBondContact NE2-OD2 3.2Å; Q509-D513 WeakPolarHBondContact O-CB 3.27Å; Q509-D513 PolarHBondContact O-N 3.49Å; I511-D513 VanDerWaalsContact C-N 3.34Å; I511-D513 PolarHBondContact O-N 2.85Å |
| 514 | E | 97.7 | Very high | 90.1 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -110 | -0.5 | -172.3 | -51 | 176.8 | -166 | 0 | 0 | 113.8 | T430 K433 M510 L516 | T430-E514 WeakPolarHBondContact CB-OE2 3.36Å; T430-E514 HydrophobicContact CG2-CB 3.76Å; T430-E514 HydrophobicContact CG2-CG 4.44Å; T430-E514 PolarHBondContact OG1-OE2 3.44Å; K433-E514 IonicContact NZ-OE1 2.66Å; K433-E514 PolarHBondContact NZ-OE1 3.02Å; K433-E514 IonicContact NZ-OE2 3.16Å; K433-E514 PolarHBondContact NZ-OE2 3.05Å; M510-E514 WeakPolarHBondContact O-CB 3.39Å; M510-E514 WeakPolarHBondContact O-CG 3.47Å; M510-E514 PolarHBondContact O-N 3.14Å; M510-E514 VanDerWaalsContact O-N 3.12Å; E514-L516 PolarHBondContact O-N 3.3Å |
| 515 | L | 92.7 | Very high | 90.1 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | trans | -61.2 | 137.6 | 173.5 | 65.1 | 84.2 | 0 | 0 | 0 | 111.3 | L426 I511 H518 | L426-L515 HydrophobicContact CD2-CB 3.91Å; I511-L515 WeakPolarHBondContact O-CB 3.42Å; I511-L515 WeakPolarHBondContact O-CD2 3.46Å; I511-L515 WeakPolarHBondContact O-CG 3.43Å; I511-L515 PolarHBondContact O-N 3.33Å; L515-H518 HydrophobicContact CD1-CB 3.88Å; L515-H518 HydrophobicContact CD2-CB 4.21Å | ||
| 516 | L | 93.3 | Very high | 90 | Very high | 91 Ų | 91 | 56.6 Ų | 56.6 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -92.1 | -26.5 | 179.8 | -57.2 | 178.9 | 0 | 0 | 0 | 111.7 | Q425 K427 I492 E514 | Q425-L516 HydrophobicContact CB-CB 4.17Å; Q425-L516 PolarHBondContact O-N 2.91Å; K427-L516 HydrophobicContact CG-CD1 4.35Å; I492-L516 HydrophobicContact CD1-CD1 3.54Å; I492-L516 HydrophobicContact CG1-CD1 3.74Å; I492-L516 HydrophobicContact CG2-CD1 4.08Å; E514-L516 PolarHBondContact O-N 3.3Å |
| 517 | R | 83.4 | Confident | 89.9 | Confident | 127 Ų | 127 | 56 Ų | 56 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 146.1 | 178.5 | -177.3 | 172.1 | 170.3 | 155.7 | 6.3 | 109.1 | V424 Q425 D519 | V424-R517 CarbonylContact C-O 3.55Å; V424-R517 WeakPolarHBondContact CA-O 3.38Å; Q425-R517 HydrophobicContact CB-CB 4.03Å; Q425-R517 HydrophobicContact CG-CB 4.05Å; Q425-R517 PolarHBondContact N-O 3.19Å; R517-D519 IonicContact CZ-OD1 3.45Å; R517-D519 IonicContact CZ-OD2 2.87Å; R517-D519 IonicContact NE-OD1 2.62Å; R517-D519 PolarHBondContact NE-OD1 3.45Å; R517-D519 IonicContact NE-OD2 2.95Å; R517-D519 PolarHBondContact NE-OD2 3.43Å; R517-D519 IonicContact NH2-OD1 3.5Å; R517-D519 PolarHBondContact NH2-OD1 2.89Å; R517-D519 IonicContact NH2-OD2 3.43Å; R517-D519 PolarHBondContact NH2-OD2 3.24Å |
| 518 | H | 91.1 | Very high | 90.1 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 29% | 0.292 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 120 | 176.4 | 172.5 | -155.8 | 0 | 0 | 0 | 108.4 | D422 L423 V424 L515 | D422-H518 IonicContact OD2-CD2 3.82Å; D422-H518 IonicContact OD2-CE1 3.77Å; D422-H518 IonicContact OD2-NE2 2.9Å; D422-H518 PolarHBondContact OD2-NE2 2.96Å; L423-H518 WeakPolarHBondContact O-CA 3.25Å; V424-H518 HydrophobicContact CG1-CB 4.21Å; L515-H518 HydrophobicContact CD1-CB 3.88Å; L515-H518 HydrophobicContact CD2-CB 4.21Å |
| 519 | D | 75.6 | Confident | 90 | Very high | 58 Ų | 58 | 54.9 Ų | 54.9 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.8 | 173 | -56.5 | -77.1 | 0 | 0 | 0 | 107.9 | L423 R517 G521 | L423-D519 PolarHBondContact N-O 2.75Å; L423-D519 PolarHBondContact O-N 3.42Å; R517-D519 IonicContact CZ-OD1 3.45Å; R517-D519 IonicContact CZ-OD2 2.87Å; R517-D519 IonicContact NE-OD1 2.62Å; R517-D519 PolarHBondContact NE-OD1 3.45Å; R517-D519 IonicContact NE-OD2 2.95Å; R517-D519 PolarHBondContact NE-OD2 3.43Å; R517-D519 IonicContact NH2-OD1 3.5Å; R517-D519 PolarHBondContact NH2-OD1 2.89Å; R517-D519 IonicContact NH2-OD2 3.43Å; R517-D519 PolarHBondContact NH2-OD2 3.24Å; D519-G521 PolarHBondContact O-N 2.88Å |
| 520 | S | 78.8 | Confident | 89.8 | Confident | 97 Ų | 97 | 55.3 Ų | 55.3 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 134.5 | 174.3 | -61.2 | 0 | 0 | 0 | 0 | 110.6 | D422 | D422-S520 WeakPolarHBondContact OD1-CA 3.43Å |
| 521 | G | 79.9 | Confident | 89.7 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -159.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F421 D422 D519 | F421-G521 VanDerWaalsContact O-CA 3.31Å; F421-G521 WeakPolarHBondContact O-CA 3.32Å; D422-G521 PolarHBondContact OD1-N 3.42Å; D519-G521 PolarHBondContact O-N 2.88Å |
| 522 | D | 81.2 | Confident | 89.7 | Confident | 89 Ų | 89 | 55.6 Ų | 55.6 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 159.4 | -178.4 | -62.6 | -45.2 | 0 | 0 | 0 | 111.7 | N371 T420 F421 D524 V527 | N371-D522 PolarHBondContact ND2-OD2 2.73Å; T420-D522 CarbonylContact C-O 3.49Å; T420-D522 VanDerWaalsContact CA-O 3.27Å; T420-D522 WeakPolarHBondContact CA-O 3.3Å; T420-D522 WeakPolarHBondContact CB-O 3.33Å; F421-D522 PolarHBondContact N-O 3.48Å; D522-D524 PolarHBondContact O-N 2.89Å; D522-V527 HydrophobicContact CB-CG2 3.65Å |
| 523 | Q | 83.8 | Confident | 89.8 | Confident | 81 Ų | 81 | 52.5 Ų | 52.5 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 134.8 | 178.3 | -166.2 | 176.6 | 7.6 | 0 | 0 | 111.7 | G419 I525 N526 V527 | G419-Q523 WeakPolarHBondContact O-CA 3.16Å; Q523-I525 HydrophobicContact CG-CG2 4.21Å; Q523-I525 PolarHBondContact O-N 3.29Å; Q523-N526 HydrophobicContact CB-CB 4.18Å; Q523-N526 WeakPolarHBondContact O-CB 3.28Å; Q523-N526 PolarHBondContact O-N 3.33Å; Q523-N526 PolarHBondContact OE1-ND2 3.04Å; Q523-V527 WeakPolarHBondContact O-CG2 3.47Å; Q523-V527 PolarHBondContact O-N 3.25Å |
| 524 | D | 91.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -49.6 | -54.2 | -173.2 | 54.9 | 5.3 | 0 | 0 | 0 | 113.8 | L415 G419 F421 D522 N526 V527 V528 | L415-D524 HydrophobicContact CD1-CB 4.24Å; G419-D524 PolarHBondContact N-OD2 2.76Å; G419-D524 VanDerWaalsContact O-CG 3.3Å; G419-D524 PolarHBondContact O-N 3.01Å; F421-D524 HydrophobicContact CD1-CB 4.41Å; F421-D524 HydrophobicContact CD2-CB 4.27Å; F421-D524 HydrophobicContact CE1-CB 3.94Å; F421-D524 VanDerWaalsContact CE2-CA 3.48Å; F421-D524 HydrophobicContact CE2-CB 3.82Å; F421-D524 WeakPolarHBondContact CE2-O 3.18Å; F421-D524 HydrophobicContact CZ-CB 3.63Å; D522-D524 PolarHBondContact O-N 2.89Å; D524-N526 PolarHBondContact O-N 3.42Å; D524-V527 PolarHBondContact O-N 3.23Å; D524-V528 PolarHBondContact O-N 3.44Å |
| 525 | I | 91.3 | Very high | 89.8 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.5 | -31.6 | -179.5 | -168.4 | 163.5 | 0 | 0 | 0 | 112.6 | W408 L411 A412 Q523 S529 | W408-I525 HydrophobicContact CD2-CD1 3.91Å; W408-I525 HydrophobicContact CD2-CG1 4.24Å; W408-I525 VanDerWaalsContact CE2-CD1 3.42Å; W408-I525 HydrophobicContact CE3-CG1 4.37Å; W408-I525 HydrophobicContact CG-CD1 4.34Å; W408-I525 HydrophobicContact CH2-CB 4.15Å; W408-I525 HydrophobicContact CH2-CD1 4.22Å; W408-I525 HydrophobicContact CH2-CG1 3.68Å; W408-I525 HydrophobicContact CH2-CG2 3.66Å; W408-I525 HydrophobicContact CZ2-CB 4.02Å; W408-I525 HydrophobicContact CZ2-CD1 3.62Å; W408-I525 HydrophobicContact CZ2-CG1 3.56Å; W408-I525 HydrophobicContact CZ2-CG2 3.32Å; W408-I525 HydrophobicContact CZ3-CG1 4.12Å; L411-I525 HydrophobicContact CB-CD1 3.79Å; L411-I525 HydrophobicContact CB-CG1 3.8Å; L411-I525 HydrophobicContact CD1-CG1 4.37Å; A412-I525 HydrophobicContact CB-CD1 3.89Å; Q523-I525 HydrophobicContact CG-CG2 4.21Å; Q523-I525 PolarHBondContact O-N 3.29Å; I525-S529 WeakPolarHBondContact O-CB 3.07Å; I525-S529 PolarHBondContact O-N 2.83Å; I525-S529 PolarHBondContact O-OG 3.31Å |
| 526 | N | 84.8 | Confident | 90 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 36% | 0.358 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 175.5 | -69.8 | -7.9 | 0 | 0 | 0 | 110.8 | W408 Q523 D524 S529 T530 | W408-N526 WeakPolarHBondContact CH2-OD1 3.5Å; Q523-N526 HydrophobicContact CB-CB 4.18Å; Q523-N526 WeakPolarHBondContact O-CB 3.28Å; Q523-N526 PolarHBondContact O-N 3.33Å; Q523-N526 PolarHBondContact OE1-ND2 3.04Å; D524-N526 PolarHBondContact O-N 3.42Å; N526-S529 VanDerWaalsContact CA-OG 3.31Å; N526-S529 WeakPolarHBondContact CA-OG 3.33Å; N526-S529 PolarHBondContact O-OG 3.31Å; N526-T530 VanDerWaalsContact O-CB 3.26Å; N526-T530 WeakPolarHBondContact O-CB 3.37Å; N526-T530 PolarHBondContact O-N 3.5Å; N526-T530 PolarHBondContact O-OG1 3.47Å |
| 527 | V | 91.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -50.3 | 177.4 | 169 | 0 | 0 | 0 | 0 | 110.6 | A367 M368 N371 F421 D522 Q523 D524 Y531 | A367-V527 HydrophobicContact CB-CG1 4.31Å; M368-V527 HydrophobicContact CG-CG1 4.36Å; N371-V527 HydrophobicContact CB-CG1 3.8Å; N371-V527 HydrophobicContact CB-CG2 4.33Å; F421-V527 HydrophobicContact CD2-CB 3.75Å; F421-V527 HydrophobicContact CD2-CG1 3.78Å; F421-V527 HydrophobicContact CD2-CG2 3.98Å; F421-V527 HydrophobicContact CE2-CB 4.07Å; F421-V527 HydrophobicContact CE2-CG1 4.11Å; D522-V527 HydrophobicContact CB-CG2 3.65Å; Q523-V527 WeakPolarHBondContact O-CG2 3.47Å; Q523-V527 PolarHBondContact O-N 3.25Å; D524-V527 PolarHBondContact O-N 3.23Å; V527-Y531 PolarHBondContact O-N 3.06Å; V527-Y531 VanDerWaalsContact O-N 3.14Å |
| 528 | V | 97.4 | Very high | 91 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | -178.7 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | I364 A367 L411 L415 F421 D524 T530 Y531 I532 | I364-V528 HydrophobicContact CB-CG2 4.45Å; I364-V528 HydrophobicContact CG1-CG2 4.19Å; I364-V528 HydrophobicContact CG2-CG2 4.01Å; A367-V528 HydrophobicContact CB-CG2 4.34Å; L411-V528 HydrophobicContact CD1-CG1 4.28Å; L411-V528 HydrophobicContact CD2-CG1 3.85Å; L415-V528 HydrophobicContact CD1-CB 4.42Å; L415-V528 HydrophobicContact CD1-CG2 3.7Å; F421-V528 HydrophobicContact CE2-CG2 4.1Å; D524-V528 PolarHBondContact O-N 3.44Å; V528-T530 PolarHBondContact O-N 3.29Å; V528-Y531 PolarHBondContact O-N 2.84Å; V528-I532 HydrophobicContact CG1-CD1 3.81Å; V528-I532 HydrophobicContact CG1-CG1 4.34Å; V528-I532 VanDerWaalsContact O-CG1 3.3Å; V528-I532 WeakPolarHBondContact O-CG1 3.39Å; V528-I532 PolarHBondContact O-N 2.87Å |
| 529 | S | 94.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 178.8 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | W408 I525 N526 I532 S533 | W408-S529 WeakPolarHBondContact CZ3-OG 3.01Å; I525-S529 WeakPolarHBondContact O-CB 3.07Å; I525-S529 PolarHBondContact O-N 2.83Å; I525-S529 PolarHBondContact O-OG 3.31Å; N526-S529 VanDerWaalsContact CA-OG 3.31Å; N526-S529 WeakPolarHBondContact CA-OG 3.33Å; N526-S529 PolarHBondContact O-OG 3.31Å; S529-I532 PolarHBondContact O-N 2.92Å; S529-S533 VanDerWaalsContact O-CB 3.25Å; S529-S533 WeakPolarHBondContact O-CB 3.46Å; S529-S533 PolarHBondContact O-N 2.86Å; S529-S533 PolarHBondContact O-OG 3.45Å |
| 530 | T | 91.7 | Very high | 92.4 | Very high | 78 Ų | 78 | 53.9 Ų | 53.9 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 173.3 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | N526 V528 S533 K534 | N526-T530 VanDerWaalsContact O-CB 3.26Å; N526-T530 WeakPolarHBondContact O-CB 3.37Å; N526-T530 PolarHBondContact O-N 3.5Å; N526-T530 PolarHBondContact O-OG1 3.47Å; V528-T530 PolarHBondContact O-N 3.29Å; T530-S533 PolarHBondContact O-N 3.03Å; T530-K534 VanDerWaalsContact O-CB 3.31Å; T530-K534 WeakPolarHBondContact O-CB 3.44Å; T530-K534 PolarHBondContact O-N 2.97Å |
| 531 | Y | 97.1 | Very high | 93.3 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 14% | 0.141 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 177.9 | -178 | -99.4 | 0 | 0 | 0 | 112.1 | L363 A367 N370 V527 V528 S533 K534 M535 | L363-Y531 HydrophobicContact CD1-CD1 3.86Å; L363-Y531 HydrophobicContact CD1-CE1 3.6Å; A367-Y531 VanDerWaalsContact CB-CB 3.45Å; A367-Y531 HydrophobicContact CB-CD1 3.91Å; A367-Y531 HydrophobicContact CB-CD2 4.15Å; A367-Y531 HydrophobicContact CB-CG 3.57Å; N370-Y531 HydrophobicContact CB-CD2 3.57Å; N370-Y531 HydrophobicContact CB-CE2 3.75Å; V527-Y531 PolarHBondContact O-N 3.06Å; V527-Y531 VanDerWaalsContact O-N 3.14Å; V528-Y531 PolarHBondContact O-N 2.84Å; Y531-S533 VanDerWaalsContact C-N 3.33Å; Y531-S533 PolarHBondContact O-N 2.76Å; Y531-K534 WeakPolarHBondContact O-CB 3.37Å; Y531-K534 PolarHBondContact O-N 3.23Å; Y531-M535 HydrophobicContact CD1-CG 4.21Å; Y531-M535 HydrophobicContact CD2-CE 4.01Å; Y531-M535 HydrophobicContact CD2-CG 4.39Å; Y531-M535 HydrophobicContact CE1-CG 3.82Å; Y531-M535 HydrophobicContact CE2-CE 3.29Å; Y531-M535 HydrophobicContact CE2-CG 4.05Å; Y531-M535 HydrophobicContact CG-CG 4.49Å; Y531-M535 WeakPolarHBondContact O-CG 3.36Å; Y531-M535 PolarHBondContact O-N 3.34Å |
| 532 | I | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 177.9 | -66.9 | 176.3 | 0 | 0 | 0 | 110.5 | L339 I406 L411 V528 S529 K534 M535 K536 I538 | L339-I532 HydrophobicContact CB-CG2 4.21Å; I406-I532 HydrophobicContact CD1-CD1 4.02Å; I406-I532 HydrophobicContact CD1-CG2 4.05Å; I406-I532 HydrophobicContact CG2-CD1 4.11Å; L411-I532 HydrophobicContact CD1-CD1 4.21Å; L411-I532 HydrophobicContact CD2-CD1 3.8Å; V528-I532 HydrophobicContact CG1-CD1 3.81Å; V528-I532 HydrophobicContact CG1-CG1 4.34Å; V528-I532 VanDerWaalsContact O-CG1 3.3Å; V528-I532 WeakPolarHBondContact O-CG1 3.39Å; V528-I532 PolarHBondContact O-N 2.87Å; S529-I532 PolarHBondContact O-N 2.92Å; I532-K534 VanDerWaalsContact C-N 3.26Å; I532-K534 PolarHBondContact O-N 3.48Å; I532-M535 PolarHBondContact O-N 2.99Å; I532-K536 PolarHBondContact O-N 3.14Å; I532-I538 HydrophobicContact CD1-CD1 4.21Å; I532-I538 HydrophobicContact CG1-CD1 4.06Å |
| 533 | S | 95.6 | Very high | 95 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -33.1 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | L339 S529 T530 Y531 K536 | L339-S533 VanDerWaalsContact O-CA 3.28Å; L339-S533 WeakPolarHBondContact O-CA 3.34Å; L339-S533 PolarHBondContact O-OG 3.33Å; S529-S533 VanDerWaalsContact O-CB 3.25Å; S529-S533 WeakPolarHBondContact O-CB 3.46Å; S529-S533 PolarHBondContact O-N 2.86Å; S529-S533 PolarHBondContact O-OG 3.45Å; T530-S533 PolarHBondContact O-N 3.03Å; Y531-S533 VanDerWaalsContact C-N 3.33Å; Y531-S533 PolarHBondContact O-N 2.76Å; S533-K536 VanDerWaalsContact O-CD 3.26Å; S533-K536 WeakPolarHBondContact O-CD 3.49Å; S533-K536 WeakPolarHBondContact O-CE 3.31Å; S533-K536 PolarHBondContact O-NZ 3.41Å |
| 534 | K | 96.1 | Very high | 95.7 | Very high | 124 Ų | 124 | 53.1 Ų | 53.1 | 54% | 0.539 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73.4 | -46.2 | 175.6 | 178.4 | 178.1 | 176.8 | 178.4 | 0 | 111.7 | N370 T530 Y531 I532 K536 | N370-K534 PolarHBondContact OD1-NZ 3.42Å; T530-K534 VanDerWaalsContact O-CB 3.31Å; T530-K534 WeakPolarHBondContact O-CB 3.44Å; T530-K534 PolarHBondContact O-N 2.97Å; Y531-K534 WeakPolarHBondContact O-CB 3.37Å; Y531-K534 PolarHBondContact O-N 3.23Å; I532-K534 VanDerWaalsContact C-N 3.26Å; I532-K534 PolarHBondContact O-N 3.48Å; K534-K536 VanDerWaalsContact C-N 3.33Å |
| 535 | M | 97.8 | Very high | 96 | Very high | 74 Ų | 74 | 53.4 Ų | 53.4 | 37% | 0.365 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74 | -24.3 | -177.6 | -65.4 | -54 | 168.6 | 0 | 0 | 113.2 | Y531 I532 V537 I538 | Y531-M535 HydrophobicContact CD1-CG 4.21Å; Y531-M535 HydrophobicContact CD2-CE 4.01Å; Y531-M535 HydrophobicContact CD2-CG 4.39Å; Y531-M535 HydrophobicContact CE1-CG 3.82Å; Y531-M535 HydrophobicContact CE2-CE 3.29Å; Y531-M535 HydrophobicContact CE2-CG 4.05Å; Y531-M535 HydrophobicContact CG-CG 4.49Å; Y531-M535 WeakPolarHBondContact O-CG 3.36Å; Y531-M535 PolarHBondContact O-N 3.34Å; I532-M535 PolarHBondContact O-N 2.99Å; M535-V537 PolarHBondContact O-N 3.45Å; M535-I538 HydrophobicContact CB-CG2 3.75Å; M535-I538 HydrophobicContact CG-CG2 4.41Å |
| 536 | K | 96.4 | Very high | 96.4 | Very high | 138 Ų | 138 | 53.6 Ų | 53.6 | 60% | 0.6 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 64.6 | -53.9 | -174.8 | -53.3 | -62.4 | 179.2 | -162.7 | 0 | 113.6 | G340 K341 I532 S533 K534 | G340-K536 WeakPolarHBondContact CA-O 3.19Å; K341-K536 PolarHBondContact N-O 3.47Å; I532-K536 PolarHBondContact O-N 3.14Å; S533-K536 VanDerWaalsContact O-CD 3.26Å; S533-K536 WeakPolarHBondContact O-CD 3.49Å; S533-K536 WeakPolarHBondContact O-CE 3.31Å; S533-K536 PolarHBondContact O-NZ 3.41Å; K534-K536 VanDerWaalsContact C-N 3.33Å |
| 537 | V | 98.1 | Very high | 97 | Very high | 62 Ų | 62 | 56 Ų | 56 | 38% | 0.376 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122 | 177.2 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | K341 I343 M535 | K341-V537 CarbonylContact O-C 3.46Å; K341-V537 VanDerWaalsContact O-CA 3.26Å; K341-V537 WeakPolarHBondContact O-CA 3.48Å; I343-V537 HydrophobicContact CB-CG1 4.47Å; I343-V537 HydrophobicContact CD1-CG1 4.29Å; I343-V537 HydrophobicContact CG1-CG1 4.12Å; I343-V537 HydrophobicContact CG2-CG1 3.66Å; M535-V537 PolarHBondContact O-N 3.45Å |
| 538 | I | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 151.2 | -179.9 | 65.9 | 179.9 | 0 | 0 | 0 | 111.8 | K341 T342 I343 L346 L363 I406 I532 M535 | K341-I538 PolarHBondContact O-N 3.22Å; T342-I538 WeakPolarHBondContact CA-O 3.31Å; I343-I538 PolarHBondContact N-O 3.36Å; I343-I538 VanDerWaalsContact N-O 3.13Å; L346-I538 HydrophobicContact CD1-CD1 3.95Å; L346-I538 HydrophobicContact CD2-CD1 4.33Å; L363-I538 HydrophobicContact CD1-CB 4.48Å; L363-I538 HydrophobicContact CD1-CD1 3.89Å; L363-I538 HydrophobicContact CD1-CG2 4.43Å; L363-I538 HydrophobicContact CD2-CD1 3.59Å; L363-I538 HydrophobicContact CG-CD1 4.4Å; I406-I538 HydrophobicContact CD1-CD1 3.58Å; I406-I538 HydrophobicContact CD1-CG1 4.2Å; I532-I538 HydrophobicContact CD1-CD1 4.21Å; I532-I538 HydrophobicContact CG1-CD1 4.06Å; M535-I538 HydrophobicContact CB-CG2 3.75Å; M535-I538 HydrophobicContact CG-CG2 4.41Å |
| 539 | Y | 98.3 | Very high | 97 | Very high | 161 Ų | 161 | 61.5 Ų | 61.5 | 63% | 0.631 | 32% | 0.315 | S | S | * | . | trans | -151 | 49.4 | -177.9 | 47.7 | -88.9 | 0 | 0 | 0 | 111.9 | I343 A541 | I343-Y539 HydrophobicContact CD1-CD1 4.29Å; I343-Y539 HydrophobicContact CD1-CG 4.46Å; Y539-A541 PolarHBondContact O-N 3.2Å | ||
| 540 | P | 98.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 68.1 Ų | 68.1 | 13% | 0.13 | 36% | 0.355 | C | S | . | . | trans | -59.5 | 137.5 | -178.2 | 30.5 | -38 | 0 | 0 | 0 | 110.7 | V344 L346 N359 L363 | V344-P540 HydrophobicContact CG2-CG 4.34Å; L346-P540 HydrophobicContact CD2-CG 3.42Å; L346-P540 VanDerWaalsContact CD2-CG 3.42Å; N359-P540 HydrophobicContact CB-CB 4.19Å; N359-P540 HydrophobicContact CB-CG 4.29Å; N359-P540 WeakPolarHBondContact CB-O 3.43Å; N359-P540 PolarHBondContact ND2-O 2.01Å; N359-P540 WeakPolarHBondContact O-CB 3.26Å; L363-P540 HydrophobicContact CB-CB 4.06Å; L363-P540 HydrophobicContact CB-CG 4Å | ||
| 541 | A | 98.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 65 Ų | 65 | 40% | 0.397 | 34% | 0.339 | S | S | . | . | trans | -108.9 | 168.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N362 Y539 E543 | N362-A541 PolarHBondContact ND2-O 2.71Å; Y539-A541 PolarHBondContact O-N 3.2Å; A541-E543 HydrophobicContact CB-CG 3.96Å | ||
| 542 | V | 98.6 | Very high | 91.8 | Very high | 91 Ų | 91 | 69.1 Ų | 69.1 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | trans | -89.8 | 115.5 | 161.1 | 174 | 0 | 0 | 0 | 0 | 106.9 | E357 N359 | E357-V542 HydrophobicContact CB-CG1 4.03Å; E357-V542 HydrophobicContact CG-CG1 4Å; N359-V542 HydrophobicContact CB-CG2 4.35Å | ||
| 543 | E | 98 | Very high | 89 | Confident | 122 Ų | 122 | 77.2 Ų | 77.2 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | trans | -113.8 | -1.7 | -163.9 | -59.9 | 176.3 | 129.3 | 0 | 0 | 112.5 | E357 A541 R545 | E357-E543 PolarHBondContact OE1-N 2.87Å; A541-E543 HydrophobicContact CB-CG 3.96Å; E543-R545 HydrophobicContact CB-CG 4.5Å; E543-R545 IonicContact OE2-CZ 3.77Å; E543-R545 IonicContact OE2-NE 2.86Å; E543-R545 PolarHBondContact OE2-NE 3.14Å; E543-R545 VanDerWaalsContact OE2-NE 3.14Å; E543-R545 IonicContact OE2-NH2 2.89Å; E543-R545 PolarHBondContact OE2-NH2 3.42Å | ||
| 544 | G | 97.9 | Very high | 86.2 | Confident | 18 Ų | 18 | 80.5 Ų | 80.5 | 19% | 0.186 | 43% | 0.432 | C | S | . | . | S | Bend | trans | 80.7 | 31.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E357 I546 K547 | E357-G544 PolarHBondContact OE1-N 3.39Å; E357-G544 VanDerWaalsContact OE2-C 3.29Å; E357-G544 WeakPolarHBondContact OE2-CA 3.13Å; E357-G544 PolarHBondContact OE2-N 2.76Å; G544-I546 PolarHBondContact O-N 3.33Å; G544-K547 VanDerWaalsContact O-CE 3.29Å; G544-K547 WeakPolarHBondContact O-CE 3.26Å |
| 545 | R | 98.6 | Very high | 83.3 | Confident | 16 Ų | 16 | 84.3 Ų | 84.3 | 6% | 0.06 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -62 | -32 | 167 | -56.3 | -176.5 | -171.2 | -167.8 | -1.5 | 111 | E357 N362 D366 V452 H456 V457 E543 | E357-R545 PolarHBondContact OE1-N 2.84Å; E357-R545 PolarHBondContact OE2-N 2.93Å; N362-R545 WeakPolarHBondContact OD1-CD 3.38Å; D366-R545 IonicContact OD1-CZ 3.61Å; D366-R545 IonicContact OD1-NH1 3.84Å; D366-R545 PolarHBondContact OD1-NH1 3.36Å; D366-R545 IonicContact OD1-NH2 3.91Å; D366-R545 PolarHBondContact OD1-NH2 2.9Å; D366-R545 VanDerWaalsContact OD1-NH2 3.16Å; D366-R545 IonicContact OD2-CZ 3.24Å; D366-R545 IonicContact OD2-NH1 3.28Å; D366-R545 IonicContact OD2-NH2 2.62Å; D366-R545 PolarHBondContact OD2-NH2 2.97Å; V452-R545 HydrophobicContact CG2-CB 3.72Å; V452-R545 WeakPolarHBondContact O-CD 3.39Å; V452-R545 PolarHBondContact O-NH1 2.93Å; H456-R545 CarbonylContact C-O 3.57Å; H456-R545 WeakPolarHBondContact CA-O 3.48Å; V457-R545 PolarHBondContact N-O 3.44Å; E543-R545 HydrophobicContact CB-CG 4.5Å; E543-R545 IonicContact OE2-CZ 3.77Å; E543-R545 IonicContact OE2-NE 2.86Å; E543-R545 PolarHBondContact OE2-NE 3.14Å; E543-R545 VanDerWaalsContact OE2-NE 3.14Å; E543-R545 IonicContact OE2-NH2 2.89Å; E543-R545 PolarHBondContact OE2-NH2 3.42Å |
| 546 | I | 98.8 | Very high | 80.4 | Confident | 11 Ų | 11 | 84 Ų | 84 | 6% | 0.056 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.7 | 176 | -53 | 165.2 | 0 | 0 | 0 | 109.3 | E357 F449 L450 V452 V457 Y459 G544 | E357-I546 HydrophobicContact CB-CB 4.14Å; E357-I546 HydrophobicContact CB-CD1 4.3Å; E357-I546 HydrophobicContact CB-CG1 4.48Å; E357-I546 PolarHBondContact OE2-N 2.79Å; F449-I546 HydrophobicContact CE1-CD1 3.85Å; F449-I546 HydrophobicContact CZ-CD1 4.12Å; F449-I546 HydrophobicContact CZ-CG2 3.82Å; L450-I546 WeakPolarHBondContact O-CD1 3.41Å; V452-I546 HydrophobicContact CG2-CD1 4.32Å; V452-I546 HydrophobicContact CG2-CG1 3.95Å; V457-I546 HydrophobicContact CG1-CB 4.11Å; V457-I546 HydrophobicContact CG1-CG1 3.81Å; V457-I546 HydrophobicContact CG1-CG2 3.92Å; Y459-I546 HydrophobicContact CD2-CG2 3.95Å; Y459-I546 HydrophobicContact CE2-CG2 3.59Å; G544-I546 PolarHBondContact O-N 3.33Å |
| 547 | K | 98.3 | Very high | 77.5 | Confident | 119 Ų | 119 | 81.5 Ų | 81.5 | 52% | 0.517 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.7 | 178.7 | -64.7 | -180 | -179.9 | 174.2 | 0 | 111.8 | V457 V458 Y459 G544 | V457-K547 PolarHBondContact O-N 3.48Å; V458-K547 CarbonylContact C-O 3.55Å; V458-K547 WeakPolarHBondContact CA-O 3.28Å; V458-K547 HydrophobicContact CG1-CB 4.32Å; V458-K547 HydrophobicContact CG2-CB 4.27Å; Y459-K547 PolarHBondContact N-O 2.94Å; G544-K547 VanDerWaalsContact O-CE 3.29Å; G544-K547 WeakPolarHBondContact O-CE 3.26Å |
| 548 | F | 96.9 | Very high | 74.5 | Confident | 68 Ų | 68 | 87.2 Ų | 87.2 | 30% | 0.298 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.1 | 169.9 | -61.4 | -84.9 | 0 | 0 | 0 | 108.9 | F355 R356 Y442 F449 Y459 L461 | F355-F548 WeakPolarHBondContact O-CE2 3.3Å; F355-F548 VanDerWaalsContact O-CZ 3.29Å; F355-F548 WeakPolarHBondContact O-CZ 3.42Å; R356-F548 HydrophobicContact CB-CE2 4.3Å; Y442-F548 HydrophobicContact CD2-CE1 4.48Å; Y442-F548 AromaticContact CE2-CE1 3.96Å; Y442-F548 HydrophobicContact CE2-CE1 3.96Å; Y442-F548 AromaticContact CE2-CZ 3.71Å; Y442-F548 HydrophobicContact CE2-CZ 3.71Å; Y442-F548 AromaticContact CZ-CZ 3.98Å; F449-F548 HydrophobicContact CE2-CE1 4.44Å; F449-F548 AromaticContact CE2-CZ 3.76Å; F449-F548 HydrophobicContact CE2-CZ 3.76Å; F449-F548 HydrophobicContact CZ-CE2 4.5Å; F449-F548 AromaticContact CZ-CZ 3.94Å; F449-F548 HydrophobicContact CZ-CZ 3.94Å; Y459-F548 HydrophobicContact CD2-CD1 4.26Å; Y459-F548 AromaticContact CD2-CE1 3.88Å; Y459-F548 HydrophobicContact CD2-CE1 3.88Å; Y459-F548 HydrophobicContact CD2-CZ 4.36Å; Y459-F548 HydrophobicContact CG-CE1 4.36Å; Y459-F548 CarbonylContact O-C 3.57Å; Y459-F548 WeakPolarHBondContact O-CA 3.35Å; L461-F548 HydrophobicContact CD1-CD1 3.75Å; L461-F548 HydrophobicContact CD1-CE1 3.87Å; L461-F548 HydrophobicContact CD2-CD1 4.3Å; L461-F548 HydrophobicContact CD2-CE1 4.13Å; L461-F548 HydrophobicContact CG-CD1 3.85Å; L461-F548 HydrophobicContact CG-CE1 4.12Å |
| 549 | S | 92.3 | Very high | 71.7 | Confident | 51 Ų | 51 | 91.7 Ų | 91.7 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | trans | -69.3 | 140.8 | 170.3 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | Y459 G551 | Y459-S549 WeakPolarHBondContact O-CB 3.36Å; Y459-S549 PolarHBondContact O-N 3.37Å; S549-G551 PolarHBondContact O-N 2.82Å; S549-G551 PolarHBondContact OG-N 3.12Å | ||
| 550 | T | 74.6 | Confident | 68.8 | Low | 147 Ų | 147 | 90.2 Ų | 90.2 | 90% | 0.902 | 52% | 0.522 | S | S | * | . | trans | -75.4 | 4.4 | 175 | 45.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 551 | G | 55.4 | Low | 66.1 | Low | 12 Ų | 12 | 94.7 Ų | 94.7 | 12% | 0.124 | 54% | 0.543 | C | S | . | . | trans | 72 | 145.8 | -174 | 0 | 0 | 0 | 0 | 0 | 111.7 | S549 H553 | S549-G551 PolarHBondContact O-N 2.82Å; S549-G551 PolarHBondContact OG-N 3.12Å; G551-H553 PolarHBondContact O-N 2.82Å | ||
| 552 | S | 43.3 | Very low | 63.2 | Low | 124 Ų | 124 | 100.6 Ų | 100.6 | 87% | 0.867 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -79.5 | 65 | 173.8 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 553 | H | 39.4 | Very low | 60.5 | Low | 169 Ų | 169 | 102.6 Ų | 102.6 | 78% | 0.782 | 57% | 0.567 | S | S | * | * | trans | -109.3 | 4.8 | 171.9 | -81.5 | -50 | 0 | 0 | 0 | 114.1 | G551 | G551-H553 PolarHBondContact O-N 2.82Š| ||
| 554 | C | 35.6 | Very low | 57.7 | Low | 109 Ų | 109 | 100.1 Ų | 100.1 | 74% | 0.736 | 56% | 0.563 | S | S | * | * | trans | -105.1 | 38.8 | -179.8 | -103.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 555 | H | 35.2 | Very low | 55 | Low | 204 Ų | 204 | 107 Ų | 107 | 94% | 0.944 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -131 | 69.4 | 164.9 | -89.5 | 22.6 | 0 | 0 | 0 | 109.9 | ||
| 556 | G | 37.7 | Very low | 52.3 | Low | 67 Ų | 67 | 110.5 Ų | 110.5 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 177 | 41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 557 | S | 34.7 | Very low | 49.7 | Very low | 85 Ų | 85 | 113.1 Ų | 113.1 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -162.4 | 2.9 | 167.4 | -81.5 | 0 | 0 | 0 | 0 | 115.2 | S559 | S557-S559 VanDerWaalsContact C-N 3.33Å; S557-S559 PolarHBondContact O-N 3.23Å |
| 558 | F | 35.3 | Very low | 47.2 | Very low | 183 Ų | 183 | 112.2 Ų | 112.2 | 80% | 0.803 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -11.3 | 177.7 | -97.5 | -83.6 | 0 | 0 | 0 | 114.5 | ||
| 559 | S | 39.1 | Very low | 44.8 | Very low | 100 Ų | 100 | 115.1 Ų | 115.1 | 70% | 0.699 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -10.7 | 179.8 | -52.7 | 0 | 0 | 0 | 0 | 114.7 | S557 | S557-S559 VanDerWaalsContact C-N 3.33Å; S557-S559 PolarHBondContact O-N 3.23Å |
| 560 | L | 38.8 | Very low | 42.4 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 69% | 0.686 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -16.4 | -176.9 | -87.1 | 154 | 0 | 0 | 0 | 114.2 | S564 | L560-S564 PolarHBondContact O-OG 3.33Š|
| 561 | I | 40.4 | Very low | 41.2 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 59% | 0.585 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -85.4 | -20 | 177.8 | -60.9 | 176 | 0 | 0 | 0 | 111.6 | S564 | I561-S564 PolarHBondContact O-OG 3.14Å |
| 562 | F | 38 | Very low | 40.6 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 75% | 0.75 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -79.8 | -23 | 176.5 | -125.1 | -92.9 | 0 | 0 | 0 | 113.7 | ||
| 563 | L | 41.4 | Very low | 40.8 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -83.5 | -21.6 | 179 | -89.2 | 153.4 | 0 | 0 | 0 | 113.4 | ||
| 564 | S | 40.4 | Very low | 40.9 | Very low | 70 Ų | 70 | 135.9 Ų | 135.9 | 49% | 0.49 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -85.6 | -18.2 | 178 | 26.8 | 0 | 0 | 0 | 0 | 113.2 | L560 I561 | L560-S564 PolarHBondContact O-OG 3.33Å; I561-S564 PolarHBondContact O-OG 3.14Å |
| 565 | F | 40.3 | Very low | 41.2 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -83.2 | -21.9 | 176.7 | -117.4 | -94 | 0 | 0 | 0 | 114.2 | ||
| 566 | C | 43.3 | Very low | 41.5 | Very low | 90 Ų | 90 | 133.7 Ų | 133.7 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -83 | -18.2 | 176.6 | -70.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 567 | A | 43.6 | Very low | 41.7 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 54% | 0.537 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -83 | -18.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 568 | V | 45.7 | Very low | 42.1 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -86.6 | -16 | -176.7 | -178.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 569 | I | 46.3 | Very low | 42.5 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 66% | 0.656 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -18.2 | 178.7 | -65.9 | 176.9 | 0 | 0 | 0 | 112.4 | ||
| 570 | F | 42 | Very low | 42.8 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 82% | 0.816 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -4.1 | -178.6 | -109 | -84.5 | 0 | 0 | 0 | 115.5 | ||
| 571 | V | 49.9 | Very low | 43 | Very low | 123 Ų | 123 | 141 Ų | 141 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -104.5 | -3.1 | -178.6 | -176.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 572 | L | 43.4 | Very low | 43.3 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -103.3 | 11.9 | 176.8 | -77.5 | 166.2 | 0 | 0 | 0 | 114.2 | ||
| 573 | Y | 46.1 | Very low | 43.7 | Very low | 215 Ų | 215 | 140.8 Ų | 140.8 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | -133.4 | 68.9 | 169.6 | -94.4 | -87.2 | 0 | 0 | 0 | 110.5 | ||||
| 574 | Q | 41.9 | Very low | 43.9 | Very low | 269 Ų | 269 | 141.4 Ų | 141.4 | 100% | 1.257 | 73% | 0.731 | S | S | * | * | trans | -148.6 | 0 | 148.8 | -81.1 | -155.6 | -24.6 | 0 | 0 | 109.9 |
Retrieved 574 of 574 residues in 2241.1 ms
(Link to these results)