| 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 | 41 | Very low | 62.3 | Low | 222 Ų | 222 | 127.4 Ų | 127.4 | 100% | 1.094 | 67% | 0.666 | S | S | * | * | 0 | 136.6 | 0 | -63.2 | -154.6 | -160.4 | 0 | 0 | 109 | A3 | M1-A3 PolarHBondContact O-N 3.25Š| |||
| 2 | S | 43.1 | Very low | 64.4 | Low | 111 Ų | 111 | 121.7 Ų | 121.7 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | trans | -57.1 | 124.1 | 166.9 | 38.9 | 0 | 0 | 0 | 0 | 107.5 | T4 | S2-T4 PolarHBondContact O-N 3.38Š| ||
| 3 | A | 52.2 | Low | 66.2 | Low | 60 Ų | 60 | 124.4 Ų | 124.4 | 50% | 0.496 | 65% | 0.654 | S | S | . | * | trans | -54.5 | 111 | 168.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | M1 L5 N121 | M1-A3 PolarHBondContact O-N 3.25Å; A3-L5 PolarHBondContact O-N 3.32Å; A3-N121 HydrophobicContact CB-CB 3.93Å | ||
| 4 | T | 55.3 | Low | 67.7 | Low | 125 Ų | 125 | 118.6 Ų | 118.6 | 77% | 0.767 | 62% | 0.622 | S | S | * | * | trans | -51.4 | 117.5 | 177.2 | 47.1 | 0 | 0 | 0 | 0 | 106.5 | S2 | S2-T4 PolarHBondContact O-N 3.38Š| ||
| 5 | L | 57.5 | Low | 69.1 | Low | 104 Ų | 104 | 118.2 Ų | 118.2 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | trans | -50.4 | 134.9 | 172.2 | -80.2 | 159 | 0 | 0 | 0 | 106.9 | A3 E7 | A3-L5 PolarHBondContact O-N 3.32Å; L5-E7 PolarHBondContact O-N 3.48Å | ||
| 6 | P | 62.8 | Low | 70.3 | Confident | 49 Ų | 49 | 112.1 Ų | 112.1 | 32% | 0.318 | 58% | 0.581 | S | S | . | * | trans | -57.3 | 111.6 | -178.7 | 25.7 | -36.9 | 0 | 0 | 0 | 108.3 | Q8 Y58 P118 | P6-Q8 PolarHBondContact O-N 3.02Å; P6-Y58 HydrophobicContact CG-CD1 4.43Å; P6-Y58 HydrophobicContact CG-CG 4.32Å; P6-P118 HydrophobicContact CB-CB 4.45Å; P6-P118 HydrophobicContact CG-CB 3.87Å | ||
| 7 | E | 64.1 | Low | 71.2 | Confident | 171 Ų | 171 | 119.2 Ų | 119.2 | 80% | 0.799 | 60% | 0.599 | S | S | * | * | trans | -62.4 | 135.1 | 175.1 | -168.6 | 173.7 | -175.2 | 0 | 0 | 108 | L5 T9 | L5-E7 PolarHBondContact O-N 3.48Å; E7-T9 PolarHBondContact O-N 3.19Å | ||
| 8 | Q | 70.1 | Confident | 72 | Confident | 103 Ų | 103 | 119.6 Ų | 119.6 | 48% | 0.481 | 60% | 0.603 | S | S | . | * | trans | -72.3 | 98.1 | 177.8 | -178.1 | 174.2 | -36.7 | 0 | 0 | 108.4 | P6 E10 A12 Q14 | P6-Q8 PolarHBondContact O-N 3.02Å; Q8-E10 VanDerWaalsContact C-N 3.28Å; Q8-E10 PolarHBondContact O-N 2.8Å; Q8-A12 PolarHBondContact NE2-O 2.68Å; Q8-Q14 HydrophobicContact CG-CG 4.41Å; Q8-Q14 VanDerWaalsContact NE2-CG 3.3Å | ||
| 9 | T | 75.7 | Confident | 72.7 | Confident | 109 Ų | 109 | 114.2 Ų | 114.2 | 67% | 0.669 | 58% | 0.577 | S | S | * | * | trans | -73.5 | -19.8 | -179.6 | 53 | 0 | 0 | 0 | 0 | 113.6 | E7 | E7-T9 PolarHBondContact O-N 3.19Š| ||
| 10 | E | 80.8 | Confident | 73.4 | Confident | 86 Ų | 86 | 115.8 Ų | 115.8 | 40% | 0.402 | 58% | 0.58 | S | S | . | * | trans | -83 | 128.3 | -176.7 | -64.1 | 176 | -153.5 | 0 | 0 | 111.1 | Q8 A12 Q14 | Q8-E10 VanDerWaalsContact C-N 3.28Å; Q8-E10 PolarHBondContact O-N 2.8Å; E10-A12 PolarHBondContact O-N 2.73Å; E10-Q14 PolarHBondContact OE2-NE2 3.11Å | ||
| 11 | R | 83.3 | Confident | 73.9 | Confident | 261 Ų | 261 | 113.6 Ų | 113.6 | 99% | 0.985 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -64.2 | -20 | 176.8 | -65.9 | -176.5 | 177.9 | 176.3 | -1 | 113.7 | ||
| 12 | A | 86.9 | Confident | 75.9 | Confident | 59 Ų | 59 | 109 Ų | 109 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -72.8 | 144.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q8 E10 Q14 | Q8-A12 PolarHBondContact NE2-O 2.68Å; E10-A12 PolarHBondContact O-N 2.73Å; A12-Q14 PolarHBondContact O-N 3.32Å |
| 13 | F | 88.1 | Confident | 77.7 | Confident | 157 Ų | 157 | 106.6 Ų | 106.6 | 69% | 0.689 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 118.9 | 171.3 | 178 | -105.6 | 0 | 0 | 0 | 110.6 | K15 L21 | F13-K15 HydrophobicContact CE1-CB 4.05Å; F13-K15 HydrophobicContact CE1-CD 4.05Å; F13-K15 HydrophobicContact CE1-CG 4.13Å; F13-K15 HydrophobicContact CZ-CB 4.46Å; F13-L21 HydrophobicContact CE1-CD1 4.19Å; F13-L21 HydrophobicContact CE2-CD1 4.45Å; F13-L21 HydrophobicContact CZ-CD1 3.51Å |
| 14 | Q | 87.3 | Confident | 79 | Confident | 43 Ų | 43 | 112.3 Ų | 112.3 | 20% | 0.201 | 54% | 0.537 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 134 | 179.3 | -69 | -69.8 | -9.9 | 0 | 0 | 109.9 | Q8 E10 A12 I59 | Q8-Q14 HydrophobicContact CG-CG 4.41Å; Q8-Q14 VanDerWaalsContact NE2-CG 3.3Å; E10-Q14 PolarHBondContact OE2-NE2 3.11Å; A12-Q14 PolarHBondContact O-N 3.32Å; Q14-I59 HydrophobicContact CB-CB 4.13Å; Q14-I59 HydrophobicContact CB-CD1 3.43Å; Q14-I59 VanDerWaalsContact CB-CD1 3.43Å; Q14-I59 HydrophobicContact CB-CG1 4.36Å; Q14-I59 HydrophobicContact CB-CG2 4.3Å; Q14-I59 WeakPolarHBondContact O-CD1 3.39Å |
| 15 | K | 88.3 | Confident | 80.3 | Confident | 113 Ų | 113 | 109.3 Ų | 109.3 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | trans | -141.1 | 152.3 | 167 | 64.5 | 172.7 | 174.5 | -174.4 | 0 | 111.8 | F13 R17 L21 | F13-K15 HydrophobicContact CE1-CB 4.05Å; F13-K15 HydrophobicContact CE1-CD 4.05Å; F13-K15 HydrophobicContact CE1-CG 4.13Å; F13-K15 HydrophobicContact CZ-CB 4.46Å; K15-R17 PolarHBondContact O-N 2.9Å; K15-L21 HydrophobicContact CB-CD1 3.88Å; K15-L21 HydrophobicContact CD-CD1 4.49Å | ||
| 16 | Q | 88.8 | Confident | 81.2 | Confident | 21 Ų | 21 | 111.4 Ų | 111.4 | 10% | 0.098 | 53% | 0.529 | C | S | . | . | trans | -67.2 | 126 | 162.8 | -69.8 | -179.5 | -61.8 | 0 | 0 | 108.5 | N18 V19 L39 T66 | Q16-N18 PolarHBondContact O-N 2.91Å; Q16-N18 VanDerWaalsContact O-N 3.12Å; Q16-V19 HydrophobicContact CB-CB 3.97Å; Q16-V19 HydrophobicContact CB-CG2 3.64Å; Q16-V19 HydrophobicContact CG-CG2 4.44Å; Q16-V19 PolarHBondContact O-N 2.93Å; Q16-L39 PolarHBondContact NE2-O 2.84Å; Q16-T66 PolarHBondContact NE2-O 2.88Å | ||
| 17 | R | 85 | Confident | 82 | Confident | 233 Ų | 233 | 111.2 Ų | 111.2 | 88% | 0.879 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -36.1 | -174.3 | -177.2 | 177.1 | 175.7 | 176 | -1.5 | 113.1 | K15 | K15-R17 PolarHBondContact O-N 2.9Š|
| 18 | N | 85.1 | Confident | 82.9 | Confident | 125 Ų | 125 | 110.5 Ų | 110.5 | 67% | 0.668 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 3.8 | -175.5 | -64.3 | 48.8 | 0 | 0 | 0 | 113 | Q16 L39 | Q16-N18 PolarHBondContact O-N 2.91Å; Q16-N18 VanDerWaalsContact O-N 3.12Å; N18-L39 HydrophobicContact CB-CD2 3.94Å |
| 19 | V | 86.4 | Confident | 83.4 | Confident | 18 Ų | 18 | 109.4 Ų | 109.4 | 11% | 0.109 | 56% | 0.56 | C | S | . | * | trans | -103.2 | 118.5 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | Q16 L21 L37 L39 | Q16-V19 HydrophobicContact CB-CB 3.97Å; Q16-V19 HydrophobicContact CB-CG2 3.64Å; Q16-V19 HydrophobicContact CG-CG2 4.44Å; Q16-V19 PolarHBondContact O-N 2.93Å; V19-L21 HydrophobicContact CG1-CD2 4.03Å; V19-L37 HydrophobicContact CG1-CB 4.46Å; V19-L37 HydrophobicContact CG1-CD2 4.37Å; V19-L37 WeakPolarHBondContact CG1-O 3.34Å; V19-L39 HydrophobicContact CG2-CB 3.82Å | ||
| 20 | F | 86.1 | Confident | 83.6 | Confident | 145 Ų | 145 | 111 Ų | 111 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | trans | -84.1 | 114.6 | 171.6 | -173 | -113.1 | 0 | 0 | 0 | 110.6 | N22 L37 | F20-N22 HydrophobicContact CE1-CB 4.09Å; F20-N22 WeakPolarHBondContact CE1-O 3.38Å; F20-N22 HydrophobicContact CE2-CB 4.2Å; F20-N22 HydrophobicContact CZ-CB 3.73Å; F20-N22 WeakPolarHBondContact CZ-O 3.29Å; F20-L37 WeakPolarHBondContact O-CD2 3.32Å | ||
| 21 | L | 84.5 | Confident | 83.5 | Confident | 71 Ų | 71 | 116.1 Ų | 116.1 | 37% | 0.372 | 58% | 0.578 | S | S | . | * | trans | -83.4 | -28.4 | -176.9 | -64.5 | 174.1 | 0 | 0 | 0 | 113.2 | F13 K15 V19 R23 L37 | F13-L21 HydrophobicContact CE1-CD1 4.19Å; F13-L21 HydrophobicContact CE2-CD1 4.45Å; F13-L21 HydrophobicContact CZ-CD1 3.51Å; K15-L21 HydrophobicContact CB-CD1 3.88Å; K15-L21 HydrophobicContact CD-CD1 4.49Å; V19-L21 HydrophobicContact CG1-CD2 4.03Å; L21-R23 PolarHBondContact O-N 2.86Å; L21-L37 HydrophobicContact CD2-CD2 4.35Å | ||
| 22 | N | 83.7 | Confident | 83.1 | Confident | 124 Ų | 124 | 110.2 Ų | 110.2 | 66% | 0.663 | 56% | 0.56 | S | S | * | * | trans | -87.2 | 52.3 | -173.4 | -67.2 | -1.3 | 0 | 0 | 0 | 112.4 | F20 K24 | F20-N22 HydrophobicContact CE1-CB 4.09Å; F20-N22 WeakPolarHBondContact CE1-O 3.38Å; F20-N22 HydrophobicContact CE2-CB 4.2Å; F20-N22 HydrophobicContact CZ-CB 3.73Å; F20-N22 WeakPolarHBondContact CZ-O 3.29Å; N22-K24 PolarHBondContact O-N 2.98Å; N22-K24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | R | 79.4 | Confident | 82.6 | Confident | 61 Ų | 61 | 110.7 Ų | 110.7 | 23% | 0.23 | 56% | 0.56 | C | S | . | * | trans | -63.6 | 114.8 | 178.4 | -66.6 | -171.3 | -170.6 | 162.4 | 8.5 | 110.6 | L21 S33 K35 P36 L37 | L21-R23 PolarHBondContact O-N 2.86Å; R23-S33 WeakPolarHBondContact CD-OG 3.33Å; R23-S33 PolarHBondContact NH1-O 2.78Å; R23-S33 PolarHBondContact NH1-OG 2.91Å; R23-S33 VanDerWaalsContact NH1-OG 3.08Å; R23-K35 PolarHBondContact NH1-O 3.18Å; R23-P36 PolarHBondContact NH2-O 2.84Å; R23-P36 VanDerWaalsContact NH2-O 3.07Å; R23-L37 HydrophobicContact CG-CD2 4.3Å | ||
| 24 | K | 80.4 | Confident | 82 | Confident | 181 Ų | 181 | 113 Ų | 113 | 79% | 0.787 | 57% | 0.569 | S | S | * | * | trans | -75.6 | 148.7 | 172.8 | -64.3 | -175.7 | 178.8 | -177.6 | 0 | 110 | N22 | N22-K24 PolarHBondContact O-N 2.98Å; N22-K24 VanDerWaalsContact O-N 3.1Å | ||
| 25 | V | 81.5 | Confident | 81.5 | Confident | 62 Ų | 62 | 118.6 Ų | 118.6 | 38% | 0.376 | 59% | 0.593 | S | S | . | * | trans | -71.9 | 126.6 | 166.9 | -180 | 0 | 0 | 0 | 0 | 107.4 | G27 K30 K32 | V25-G27 VanDerWaalsContact C-N 3.29Å; V25-G27 WeakPolarHBondContact CG1-O 3.44Å; V25-G27 PolarHBondContact O-N 2.89Å; V25-K30 HydrophobicContact CG1-CB 3.98Å; V25-K30 WeakPolarHBondContact CG1-O 3.32Å; V25-K32 HydrophobicContact CG2-CG 3.63Å | ||
| 26 | L | 76.5 | Confident | 81.1 | Confident | 147 Ų | 147 | 118.1 Ų | 118.1 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -81.9 | 74.1 | 179.1 | -62.7 | 177.1 | 0 | 0 | 0 | 110.4 | K30 | L26-K30 VanDerWaalsContact O-CD 3.25Å; L26-K30 WeakPolarHBondContact O-CD 3.36Å |
| 27 | G | 80.2 | Confident | 80.8 | Confident | 46 Ų | 46 | 121.2 Ų | 121.2 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | S | Bend | trans | 104.6 | 159.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V25 G29 K30 | V25-G27 VanDerWaalsContact C-N 3.29Å; V25-G27 WeakPolarHBondContact CG1-O 3.44Å; V25-G27 PolarHBondContact O-N 2.89Å; G27-G29 PolarHBondContact O-N 3.39Å; G27-K30 PolarHBondContact O-N 3.36Å |
| 28 | V | 82.6 | Confident | 81 | Confident | 155 Ų | 155 | 111.8 Ų | 111.8 | 94% | 0.939 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 133.4 | -178.8 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | K30 | V28-K30 VanDerWaalsContact C-N 3.29Å; V28-K30 PolarHBondContact O-N 2.8Å |
| 29 | G | 80.4 | Confident | 81.2 | Confident | 81 Ų | 81 | 108.5 Ų | 108.5 | 84% | 0.835 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.7 | -8.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | G27 | G27-G29 PolarHBondContact O-N 3.39Š|
| 30 | K | 80.1 | Confident | 81.4 | Confident | 143 Ų | 143 | 110 Ų | 110 | 62% | 0.622 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 152.7 | 175 | -59.6 | -158.1 | -166.4 | 167.5 | 0 | 111.1 | V25 L26 G27 V28 | V25-K30 HydrophobicContact CG1-CB 3.98Å; V25-K30 WeakPolarHBondContact CG1-O 3.32Å; L26-K30 VanDerWaalsContact O-CD 3.25Å; L26-K30 WeakPolarHBondContact O-CD 3.36Å; G27-K30 PolarHBondContact O-N 3.36Å; V28-K30 VanDerWaalsContact C-N 3.29Å; V28-K30 PolarHBondContact O-N 2.8Å |
| 31 | K | 79 | Confident | 81.6 | Confident | 192 Ų | 192 | 108.6 Ų | 108.6 | 84% | 0.835 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 149.9 | 173.3 | -68.7 | -178.2 | -178.9 | 176.7 | 0 | 110.2 | ||
| 32 | K | 75.2 | Confident | 82 | Confident | 138 Ų | 138 | 110.7 Ų | 110.7 | 60% | 0.6 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 147.6 | 170.3 | -67.4 | -174.3 | -177.9 | 175.7 | 0 | 109.8 | V25 K34 | V25-K32 HydrophobicContact CG2-CG 3.63Å; K32-K34 PolarHBondContact O-N 2.86Å |
| 33 | S | 77 | Confident | 82.3 | Confident | 68 Ų | 68 | 106.3 Ų | 106.3 | 48% | 0.476 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 127.2 | 179.3 | 62 | 0 | 0 | 0 | 0 | 111.2 | R23 K35 | R23-S33 WeakPolarHBondContact CD-OG 3.33Å; R23-S33 PolarHBondContact NH1-O 2.78Å; R23-S33 PolarHBondContact NH1-OG 2.91Å; R23-S33 VanDerWaalsContact NH1-OG 3.08Å; S33-K35 PolarHBondContact O-N 3.12Å; S33-K35 VanDerWaalsContact O-N 3.15Å |
| 34 | K | 75.8 | Confident | 82.7 | Confident | 205 Ų | 205 | 104.7 Ų | 104.7 | 89% | 0.891 | 56% | 0.555 | S | S | * | * | trans | -70.7 | -1.9 | -179.6 | -64.2 | -174.8 | -179.8 | -179.1 | 0 | 114.3 | K32 | K32-K34 PolarHBondContact O-N 2.86Š| ||
| 35 | K | 76.7 | Confident | 83 | Confident | 161 Ų | 161 | 101.5 Ų | 101.5 | 70% | 0.7 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -61.1 | 137.8 | -179.4 | -67.1 | -174.2 | 179.7 | -177.6 | 0 | 109.5 | R23 S33 L37 | R23-K35 PolarHBondContact NH1-O 3.18Å; S33-K35 PolarHBondContact O-N 3.12Å; S33-K35 VanDerWaalsContact O-N 3.15Å; K35-L37 PolarHBondContact O-N 3.28Å |
| 36 | P | 79.5 | Confident | 83.4 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 67% | 0.669 | 57% | 0.568 | S | S | * | * | trans | -56.5 | 143.7 | 177.7 | 22.8 | -32.1 | 0 | 0 | 0 | 110.8 | R23 R38 | R23-P36 PolarHBondContact NH2-O 2.84Å; R23-P36 VanDerWaalsContact NH2-O 3.07Å; P36-R38 PolarHBondContact O-N 3Å | ||
| 37 | L | 82.3 | Confident | 84.1 | Confident | 86 Ų | 86 | 97 Ų | 97 | 45% | 0.45 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -85.1 | 33.4 | 177.1 | -79.4 | 155 | 0 | 0 | 0 | 111.2 | V19 F20 L21 R23 K35 | V19-L37 HydrophobicContact CG1-CB 4.46Å; V19-L37 HydrophobicContact CG1-CD2 4.37Å; V19-L37 WeakPolarHBondContact CG1-O 3.34Å; F20-L37 WeakPolarHBondContact O-CD2 3.32Å; L21-L37 HydrophobicContact CD2-CD2 4.35Å; R23-L37 HydrophobicContact CG-CD2 4.3Å; K35-L37 PolarHBondContact O-N 3.28Å |
| 38 | R | 88.2 | Confident | 84.7 | Confident | 35 Ų | 35 | 103.9 Ų | 103.9 | 13% | 0.132 | 56% | 0.555 | C | S | . | * | trans | -130.3 | 129.8 | -176.6 | -168.6 | 172.5 | -176.4 | 80.4 | -6.7 | 110.7 | P36 V40 A53 I54 G56 Y58 | P36-R38 PolarHBondContact O-N 3Å; R38-V40 HydrophobicContact CG-CG2 4.33Å; R38-A53 WeakPolarHBondContact CD-O 3.38Å; R38-A53 PolarHBondContact NE-O 2.85Å; R38-I54 WeakPolarHBondContact CD-O 3.31Å; R38-G56 WeakPolarHBondContact CD-O 3.36Å; R38-G56 PolarHBondContact NE-O 3.36Å; R38-G56 PolarHBondContact NH1-O 2.85Å; R38-G56 PolarHBondContact NH2-O 2.88Å; R38-Y58 PolarHBondContact NH1-O 2.85Å; R38-Y58 PolarHBondContact NH2-O 3.38Å | ||
| 39 | L | 89.4 | Confident | 85.2 | Confident | 56 Ų | 56 | 98.5 Ų | 98.5 | 29% | 0.293 | 52% | 0.523 | S | S | . | . | trans | -82.4 | 124 | 170.5 | 176.8 | 64.5 | 0 | 0 | 0 | 109.1 | Q16 N18 V19 R41 | Q16-L39 PolarHBondContact NE2-O 2.84Å; N18-L39 HydrophobicContact CB-CD2 3.94Å; V19-L39 HydrophobicContact CG2-CB 3.82Å; L39-R41 HydrophobicContact CD1-CG 4.31Å; L39-R41 HydrophobicContact CG-CG 4.35Å | ||
| 40 | V | 91.8 | Very high | 85.7 | Confident | 50 Ų | 50 | 95.8 Ų | 95.8 | 30% | 0.303 | 49% | 0.49 | S | S | . | . | trans | -127.3 | 137.6 | 172.6 | -172.9 | 0 | 0 | 0 | 0 | 108 | R38 T49 I54 F65 | R38-V40 HydrophobicContact CG-CG2 4.33Å; V40-T49 HydrophobicContact CG1-CG2 4.42Å; V40-I54 HydrophobicContact CG1-CG1 4.06Å; V40-I54 HydrophobicContact CG2-CG1 4.36Å; V40-F65 CarbonylContact C-O 3.5Å; V40-F65 WeakPolarHBondContact CA-O 3.49Å | ||
| 41 | R | 90.1 | Very high | 86.3 | Confident | 115 Ų | 115 | 98.5 Ų | 98.5 | 43% | 0.434 | 50% | 0.496 | S | S | . | . | trans | -125.6 | 145.5 | 179.5 | -58.7 | 178.7 | 75.2 | 165.6 | 2.1 | 109.5 | L39 T49 F65 N68 | L39-R41 HydrophobicContact CD1-CG 4.31Å; L39-R41 HydrophobicContact CG-CG 4.35Å; R41-T49 WeakPolarHBondContact O-CG2 3.46Å; R41-F65 PolarHBondContact N-O 3.32Å; R41-N68 PolarHBondContact NH1-OD1 2.73Å | ||
| 42 | N | 91.6 | Very high | 86.8 | Confident | 115 Ų | 115 | 91.7 Ų | 91.7 | 62% | 0.615 | 47% | 0.471 | S | S | * | . | trans | -81.2 | 133.8 | 163.8 | -169.6 | -10 | 0 | 0 | 0 | 108.6 | G44 T49 | N42-G44 VanDerWaalsContact C-N 3.3Å; N42-G44 PolarHBondContact OD1-N 2.79Å; N42-T49 HydrophobicContact CB-CG2 4.44Å | ||
| 43 | I | 90.1 | Very high | 87.5 | Confident | 32 Ų | 32 | 85.1 Ų | 85.1 | 16% | 0.164 | 44% | 0.443 | C | S | . | . | trans | -76 | -24.8 | 175.7 | -60.2 | 174.9 | 0 | 0 | 0 | 110.9 | P64 F65 I71 I146 | I43-P64 HydrophobicContact CD1-CB 3.5Å; I43-P64 VanDerWaalsContact CD1-CB 3.5Å; I43-P64 HydrophobicContact CD1-CG 3.52Å; I43-P64 HydrophobicContact CG1-CB 3.93Å; I43-P64 HydrophobicContact CG1-CG 4.45Å; I43-F65 HydrophobicContact CD1-CD1 3.46Å; I43-F65 VanDerWaalsContact CD1-CD1 3.46Å; I43-F65 HydrophobicContact CD1-CD2 4.11Å; I43-F65 HydrophobicContact CD1-CE1 3.1Å; I43-F65 HydrophobicContact CD1-CE2 3.76Å; I43-F65 HydrophobicContact CD1-CG 3.98Å; I43-F65 HydrophobicContact CD1-CZ 3.26Å; I43-F65 HydrophobicContact CG1-CD1 3.71Å; I43-F65 HydrophobicContact CG1-CE1 3.71Å; I43-F65 HydrophobicContact CG1-CG 4.4Å; I43-F65 HydrophobicContact CG1-CZ 4.35Å; I43-I71 HydrophobicContact CD1-CG1 4.47Å; I43-I71 HydrophobicContact CG2-CB 3.75Å; I43-I71 HydrophobicContact CG2-CG1 3.51Å; I43-I146 HydrophobicContact CD1-CG2 4.24Å | ||
| 44 | G | 89.1 | Confident | 88.1 | Confident | 28 Ų | 28 | 85.8 Ų | 85.8 | 29% | 0.289 | 44% | 0.44 | S | S | . | . | trans | 84.2 | -160.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N42 G46 F47 | N42-G44 VanDerWaalsContact C-N 3.3Å; N42-G44 PolarHBondContact OD1-N 2.79Å; G44-G46 PolarHBondContact O-N 2.96Å; G44-F47 PolarHBondContact O-N 3.2Å | ||
| 45 | L | 86.6 | Confident | 88.7 | Confident | 114 Ų | 114 | 83 Ų | 83 | 60% | 0.597 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23.5 | 177.4 | -49.5 | 169 | 0 | 0 | 0 | 114.4 | F47 I71 I75 | L45-F47 VanDerWaalsContact C-N 3.29Å; L45-F47 HydrophobicContact CB-CD2 3.91Å; L45-F47 HydrophobicContact CB-CE2 4Å; L45-F47 WeakPolarHBondContact O-CD2 3.38Å; L45-F47 PolarHBondContact O-N 2.89Å; L45-I71 HydrophobicContact CD1-CG2 4.18Å; L45-I75 HydrophobicContact CD1-CD1 4.11Å |
| 46 | G | 89.4 | Confident | 89.1 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 84% | 0.835 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 6.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G44 | G44-G46 PolarHBondContact O-N 2.96Š|
| 47 | F | 91.7 | Very high | 89.4 | Confident | 32 Ų | 32 | 76.8 Ų | 76.8 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 136.2 | 176.7 | -63.6 | -77.3 | 0 | 0 | 0 | 112 | G44 L45 I75 I130 I146 K147 | G44-F47 PolarHBondContact O-N 3.2Å; L45-F47 VanDerWaalsContact C-N 3.29Å; L45-F47 HydrophobicContact CB-CD2 3.91Å; L45-F47 HydrophobicContact CB-CE2 4Å; L45-F47 WeakPolarHBondContact O-CD2 3.38Å; L45-F47 PolarHBondContact O-N 2.89Å; F47-I75 HydrophobicContact CE2-CD1 3.89Å; F47-I75 HydrophobicContact CZ-CD1 4.3Å; F47-I75 HydrophobicContact CZ-CG2 4.35Å; F47-I130 HydrophobicContact CE1-CD1 4.39Å; F47-I130 HydrophobicContact CE1-CG2 4.19Å; F47-I130 HydrophobicContact CZ-CG2 4.01Å; F47-I146 HydrophobicContact CB-CG2 3.7Å; F47-I146 HydrophobicContact CD1-CG2 3.7Å; F47-I146 HydrophobicContact CD2-CG2 3.59Å; F47-I146 HydrophobicContact CE1-CG2 4.2Å; F47-I146 HydrophobicContact CE2-CD1 4.47Å; F47-I146 HydrophobicContact CE2-CG2 4.11Å; F47-I146 HydrophobicContact CG-CG2 3.36Å; F47-I146 HydrophobicContact CZ-CG2 4.39Å; F47-K147 HydrophobicContact CD1-CB 4.05Å; F47-K147 HydrophobicContact CD1-CD 4.22Å; F47-K147 HydrophobicContact CE1-CB 4.11Å; F47-K147 HydrophobicContact CE1-CD 4.22Å |
| 48 | K | 92.3 | Very high | 89.7 | Confident | 191 Ų | 191 | 73.2 Ų | 73.2 | 83% | 0.83 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 142.6 | 174.2 | -64.7 | -175.1 | 179.5 | -177.1 | 0 | 110.4 | ||
| 49 | T | 92.8 | Very high | 89.8 | Confident | 43 Ų | 43 | 73 Ų | 73 | 26% | 0.264 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 128.3 | 170.5 | 50.2 | 0 | 0 | 0 | 0 | 109.5 | V40 R41 N42 F65 | V40-T49 HydrophobicContact CG1-CG2 4.42Å; R41-T49 WeakPolarHBondContact O-CG2 3.46Å; N42-T49 HydrophobicContact CB-CG2 4.44Å; T49-F65 HydrophobicContact CG2-CD1 4.01Å; T49-F65 HydrophobicContact CG2-CE1 4.48Å |
| 50 | P | 92.2 | Very high | 89.9 | Confident | 23 Ų | 23 | 70.9 Ų | 70.9 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 142.6 | 179.5 | 25.5 | -31 | 0 | 0 | 0 | 110.5 | T52 A53 I54 F65 C119 F120 | P50-T52 VanDerWaalsContact C-N 3.27Å; P50-T52 PolarHBondContact O-N 2.94Å; P50-A53 HydrophobicContact CG-CB 3.78Å; P50-A53 WeakPolarHBondContact O-CB 3.3Å; P50-A53 PolarHBondContact O-N 2.8Å; P50-I54 PolarHBondContact O-N 2.99Å; P50-F65 VanDerWaalsContact CD-CZ 3.5Å; P50-F65 HydrophobicContact CG-CD2 3.99Å; P50-F65 HydrophobicContact CG-CE1 4.4Å; P50-F65 HydrophobicContact CG-CE2 3.92Å; P50-F65 HydrophobicContact CG-CG 4.3Å; P50-F65 HydrophobicContact CG-CZ 4.11Å; P50-C119 HydrophobicContact CB-CB 4.28Å; P50-C119 HydrophobicContact CG-CB 3.65Å; P50-F120 HydrophobicContact CB-CE1 4.14Å; P50-F120 HydrophobicContact CG-CE1 4.13Å; P50-F120 HydrophobicContact CG-CZ 4.09Å |
| 51 | R | 90.9 | Very high | 89.9 | Confident | 200 Ų | 200 | 75.8 Ų | 75.8 | 76% | 0.755 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57.4 | -40.3 | -178.4 | -68 | -175 | -179.8 | 179.5 | -1.5 | 112.5 | A53 I54 E55 | R51-A53 PolarHBondContact O-N 2.78Å; R51-I54 WeakPolarHBondContact O-CA 3.46Å; R51-I54 WeakPolarHBondContact O-CB 3.11Å; R51-I54 PolarHBondContact O-N 2.9Å; R51-E55 PolarHBondContact O-N 2.83Å |
| 52 | T | 90 | Very high | 90.1 | Very high | 50 Ų | 50 | 74.3 Ų | 74.3 | 31% | 0.307 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60 | -26.9 | 174 | 50 | 0 | 0 | 0 | 0 | 113.7 | P50 I54 G56 C119 | P50-T52 VanDerWaalsContact C-N 3.27Å; P50-T52 PolarHBondContact O-N 2.94Å; T52-I54 VanDerWaalsContact C-N 3.33Å; T52-G56 VanDerWaalsContact O-CA 3.27Å; T52-G56 WeakPolarHBondContact O-CA 3.42Å; T52-G56 PolarHBondContact O-N 2.88Å; T52-C119 WeakPolarHBondContact CB-O 3.21Å; T52-C119 VanDerWaalsContact OG1-C 3.3Å; T52-C119 WeakPolarHBondContact OG1-CA 3.34Å; T52-C119 WeakPolarHBondContact OG1-CB 3.47Å; T52-C119 PolarHBondContact OG1-O 2.88Å |
| 53 | A | 89.8 | Confident | 90.2 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -73.1 | -28.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R38 P50 R51 F65 T66 C119 | R38-A53 WeakPolarHBondContact CD-O 3.38Å; R38-A53 PolarHBondContact NE-O 2.85Å; P50-A53 HydrophobicContact CG-CB 3.78Å; P50-A53 WeakPolarHBondContact O-CB 3.3Å; P50-A53 PolarHBondContact O-N 2.8Å; R51-A53 PolarHBondContact O-N 2.78Å; A53-F65 HydrophobicContact CB-CB 3.85Å; A53-F65 HydrophobicContact CB-CG 4.37Å; A53-T66 HydrophobicContact CB-CG2 3.9Å; A53-T66 WeakPolarHBondContact O-CG2 3.18Å; A53-C119 HydrophobicContact CB-CB 4Å |
| 54 | I | 90.3 | Very high | 90.4 | Very high | 82 Ų | 82 | 67.6 Ų | 67.6 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -79.9 | -45.9 | 178.5 | -59.5 | 166.9 | 0 | 0 | 0 | 111 | R38 V40 P50 R51 T52 | R38-I54 WeakPolarHBondContact CD-O 3.31Å; V40-I54 HydrophobicContact CG1-CG1 4.06Å; V40-I54 HydrophobicContact CG2-CG1 4.36Å; P50-I54 PolarHBondContact O-N 2.99Å; R51-I54 WeakPolarHBondContact O-CA 3.46Å; R51-I54 WeakPolarHBondContact O-CB 3.11Å; R51-I54 PolarHBondContact O-N 2.9Å; T52-I54 VanDerWaalsContact C-N 3.33Å |
| 55 | E | 88.5 | Confident | 90.6 | Very high | 146 Ų | 146 | 66.2 Ų | 66.2 | 68% | 0.682 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -98.5 | -21.2 | -170.6 | -66.1 | 165.5 | -169.4 | 0 | 0 | 113.5 | R51 | R51-E55 PolarHBondContact O-N 2.83Å |
| 56 | G | 85.5 | Confident | 90.9 | Very high | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | trans | -70 | 156.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R38 T52 | R38-G56 WeakPolarHBondContact CD-O 3.36Å; R38-G56 PolarHBondContact NE-O 3.36Å; R38-G56 PolarHBondContact NH1-O 2.85Å; R38-G56 PolarHBondContact NH2-O 2.88Å; T52-G56 VanDerWaalsContact O-CA 3.27Å; T52-G56 WeakPolarHBondContact O-CA 3.42Å; T52-G56 PolarHBondContact O-N 2.88Å | ||
| 57 | N | 85.6 | Confident | 90.9 | Very high | 131 Ų | 131 | 57.7 Ų | 57.7 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | trans | -103 | 1 | 179.6 | -68.1 | -25.5 | 0 | 0 | 0 | 114 | ||||
| 58 | Y | 88.2 | Confident | 90.8 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | trans | -66.1 | 150.4 | 179.9 | 71.8 | -92.5 | 0 | 0 | 0 | 112.3 | P6 R38 D60 P118 C119 | P6-Y58 HydrophobicContact CG-CD1 4.43Å; P6-Y58 HydrophobicContact CG-CG 4.32Å; R38-Y58 PolarHBondContact NH1-O 2.85Å; R38-Y58 PolarHBondContact NH2-O 3.38Å; Y58-D60 HydrophobicContact CD2-CB 4.01Å; Y58-D60 HydrophobicContact CE2-CB 4.11Å; Y58-P118 HydrophobicContact CD1-CB 4.09Å; Y58-P118 HydrophobicContact CD2-CB 3.77Å; Y58-P118 HydrophobicContact CD2-CG 3.78Å; Y58-P118 HydrophobicContact CE1-CB 4.45Å; Y58-P118 HydrophobicContact CE2-CB 4.16Å; Y58-P118 HydrophobicContact CE2-CG 4.23Å; Y58-P118 HydrophobicContact CG-CB 3.75Å; Y58-P118 HydrophobicContact CG-CG 4.2Å; Y58-C119 HydrophobicContact CE1-CB 4.34Å; Y58-C119 VanDerWaalsContact OH-CB 3.26Å; Y58-C119 WeakPolarHBondContact OH-CB 3.48Å | ||
| 59 | I | 90.2 | Very high | 90.9 | Very high | 31 Ų | 31 | 52.5 Ų | 52.5 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | trans | -118.8 | 112.4 | 177.8 | -65.4 | 166.3 | 0 | 0 | 0 | 108.8 | Q14 R87 | Q14-I59 HydrophobicContact CB-CB 4.13Å; Q14-I59 HydrophobicContact CB-CD1 3.43Å; Q14-I59 VanDerWaalsContact CB-CD1 3.43Å; Q14-I59 HydrophobicContact CB-CG1 4.36Å; Q14-I59 HydrophobicContact CB-CG2 4.3Å; Q14-I59 WeakPolarHBondContact O-CD1 3.39Å; I59-R87 PolarHBondContact O-NH1 3.28Å | ||
| 60 | D | 91.4 | Very high | 90.9 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | trans | -135.4 | 108.8 | 178.1 | -177.1 | 13.5 | 0 | 0 | 0 | 110.4 | Y58 K62 C63 H115 P118 | Y58-D60 HydrophobicContact CD2-CB 4.01Å; Y58-D60 HydrophobicContact CE2-CB 4.11Å; D60-K62 PolarHBondContact O-N 3.36Å; D60-K62 WeakPolarHBondContact OD1-CB 3.36Å; D60-K62 PolarHBondContact OD1-N 3.27Å; D60-C63 HydrophobicContact CB-CB 3.97Å; D60-C63 WeakPolarHBondContact O-CB 3.32Å; D60-C63 PolarHBondContact O-N 3.43Å; D60-C63 PolarHBondContact OD2-N 2.91Å; D60-H115 IonicContact OD1-CE1 2.73Å; D60-H115 IonicContact OD1-NE2 2.91Å; D60-H115 IonicContact OD2-CD2 3.45Å; D60-H115 IonicContact OD2-CE1 3.91Å; D60-H115 PolarHBondContact OD2-CE1 3.38Å; D60-H115 IonicContact OD2-NE2 3.8Å; D60-H115 PolarHBondContact OD2-NE2 3.45Å; D60-P118 HydrophobicContact CB-CG 4.49Å; D60-P118 WeakPolarHBondContact OD2-CD 3.41Å | ||
| 61 | K | 91.9 | Very high | 91 | Very high | 153 Ų | 153 | 54.2 Ų | 54.2 | 67% | 0.665 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.2 | 178.1 | -62.2 | 174.8 | -174.9 | 170.4 | 0 | 112 | ||
| 62 | K | 93.9 | Very high | 91 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5.3 | -178.5 | -62.5 | 179.6 | -178.4 | -173.2 | 0 | 112.8 | D60 V69 L137 N144 | D60-K62 PolarHBondContact O-N 3.36Å; D60-K62 WeakPolarHBondContact OD1-CB 3.36Å; D60-K62 PolarHBondContact OD1-N 3.27Å; K62-V69 VanDerWaalsContact O-CG2 3.32Å; K62-V69 WeakPolarHBondContact O-CG2 3.43Å; K62-L137 HydrophobicContact CB-CD1 4.19Å; K62-L137 HydrophobicContact CB-CD2 4.44Å; K62-L137 HydrophobicContact CD-CB 4.25Å; K62-L137 HydrophobicContact CG-CD2 4.31Å; K62-L137 PolarHBondContact NZ-O 3.5Å; K62-N144 PolarHBondContact O-ND2 2.86Å |
| 63 | C | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -73.3 | 135.5 | 178.5 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | D60 F65 T66 G67 S117 | D60-C63 HydrophobicContact CB-CB 3.97Å; D60-C63 WeakPolarHBondContact O-CB 3.32Å; D60-C63 PolarHBondContact O-N 3.43Å; D60-C63 PolarHBondContact OD2-N 2.91Å; C63-F65 VanDerWaalsContact C-N 3.32Å; C63-F65 PolarHBondContact SG-N 2.96Å; C63-F65 VanDerWaalsContact SG-N 3.42Å; C63-T66 WeakPolarHBondContact CB-OG1 3.47Å; C63-T66 PolarHBondContact SG-N 2.85Å; C63-T66 PolarHBondContact SG-OG1 2.95Å; C63-G67 CarbonylContact O-C 3.54Å; C63-G67 WeakPolarHBondContact O-CA 3.4Å; C63-G67 PolarHBondContact O-N 2.92Å; C63-S117 WeakPolarHBondContact CA-OG 3.32Å | ||
| 64 | P | 93.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.032 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -21.6 | 178.6 | 31.2 | -32.9 | 0 | 0 | 0 | 112.5 | I43 V69 I71 S117 N144 | I43-P64 HydrophobicContact CD1-CB 3.5Å; I43-P64 VanDerWaalsContact CD1-CB 3.5Å; I43-P64 HydrophobicContact CD1-CG 3.52Å; I43-P64 HydrophobicContact CG1-CB 3.93Å; I43-P64 HydrophobicContact CG1-CG 4.45Å; P64-V69 WeakPolarHBondContact CA-O 3.41Å; P64-I71 HydrophobicContact CB-CD1 3.99Å; P64-I71 HydrophobicContact CB-CG1 4Å; P64-I71 HydrophobicContact CG-CD1 4.4Å; P64-S117 WeakPolarHBondContact CD-OG 3.47Å; P64-N144 HydrophobicContact CG-CB 4.49Å |
| 65 | F | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -38.7 | 178.9 | -54.6 | -77.2 | 0 | 0 | 0 | 113.5 | V40 R41 I43 T49 P50 A53 C63 F120 I146 | V40-F65 CarbonylContact C-O 3.5Å; V40-F65 WeakPolarHBondContact CA-O 3.49Å; R41-F65 PolarHBondContact N-O 3.32Å; I43-F65 HydrophobicContact CD1-CD1 3.46Å; I43-F65 VanDerWaalsContact CD1-CD1 3.46Å; I43-F65 HydrophobicContact CD1-CD2 4.11Å; I43-F65 HydrophobicContact CD1-CE1 3.1Å; I43-F65 HydrophobicContact CD1-CE2 3.76Å; I43-F65 HydrophobicContact CD1-CG 3.98Å; I43-F65 HydrophobicContact CD1-CZ 3.26Å; I43-F65 HydrophobicContact CG1-CD1 3.71Å; I43-F65 HydrophobicContact CG1-CE1 3.71Å; I43-F65 HydrophobicContact CG1-CG 4.4Å; I43-F65 HydrophobicContact CG1-CZ 4.35Å; T49-F65 HydrophobicContact CG2-CD1 4.01Å; T49-F65 HydrophobicContact CG2-CE1 4.48Å; P50-F65 VanDerWaalsContact CD-CZ 3.5Å; P50-F65 HydrophobicContact CG-CD2 3.99Å; P50-F65 HydrophobicContact CG-CE1 4.4Å; P50-F65 HydrophobicContact CG-CE2 3.92Å; P50-F65 HydrophobicContact CG-CG 4.3Å; P50-F65 HydrophobicContact CG-CZ 4.11Å; A53-F65 HydrophobicContact CB-CB 3.85Å; A53-F65 HydrophobicContact CB-CG 4.37Å; C63-F65 VanDerWaalsContact C-N 3.32Å; C63-F65 PolarHBondContact SG-N 2.96Å; C63-F65 VanDerWaalsContact SG-N 3.42Å; F65-F120 AromaticContact CE2-CE2 3.77Å; F65-F120 HydrophobicContact CE2-CE2 3.77Å; F65-F120 AromaticContact CE2-CZ 3.63Å; F65-F120 HydrophobicContact CE2-CZ 3.63Å; F65-F120 HydrophobicContact CZ-CZ 4.03Å; F65-I146 HydrophobicContact CZ-CG2 4.42Å |
| 66 | T | 92.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -9.1 | -172.6 | 59 | 0 | 0 | 0 | 0 | 113.2 | Q16 A53 C63 | Q16-T66 PolarHBondContact NE2-O 2.88Å; A53-T66 HydrophobicContact CB-CG2 3.9Å; A53-T66 WeakPolarHBondContact O-CG2 3.18Å; C63-T66 WeakPolarHBondContact CB-OG1 3.47Å; C63-T66 PolarHBondContact SG-N 2.85Å; C63-T66 PolarHBondContact SG-OG1 2.95Å |
| 67 | G | 90.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -105.6 | -157.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C63 | C63-G67 CarbonylContact O-C 3.54Å; C63-G67 WeakPolarHBondContact O-CA 3.4Å; C63-G67 PolarHBondContact O-N 2.92Å |
| 68 | N | 90.1 | Very high | 92.9 | Very high | 106 Ų | 106 | 52 Ų | 52 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -118.1 | 40.3 | 178.9 | -164.3 | 26.8 | 0 | 0 | 0 | 111.3 | R41 R135 | R41-N68 PolarHBondContact NH1-OD1 2.73Å; N68-R135 PolarHBondContact O-NH1 3.49Å |
| 69 | V | 93.5 | Very high | 93.3 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 116.6 | 175.3 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | K62 P64 C134 L137 | K62-V69 VanDerWaalsContact O-CG2 3.32Å; K62-V69 WeakPolarHBondContact O-CG2 3.43Å; P64-V69 WeakPolarHBondContact CA-O 3.41Å; V69-C134 HydrophobicContact CG1-CB 3.68Å; V69-L137 HydrophobicContact CG1-CD2 4.3Å; V69-L137 HydrophobicContact CG2-CD2 3.83Å |
| 70 | S | 93.1 | Very high | 93.6 | Very high | 78 Ų | 78 | 52.7 Ų | 52.7 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 134.9 | 168 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | C134 | S70-C134 WeakPolarHBondContact O-CB 3.4Š|
| 71 | I | 94.5 | Very high | 93.8 | Very high | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 129.9 | 165 | -60.3 | -53.5 | 0 | 0 | 0 | 107.4 | I43 L45 P64 E133 C134 N144 I146 | I43-I71 HydrophobicContact CD1-CG1 4.47Å; I43-I71 HydrophobicContact CG2-CB 3.75Å; I43-I71 HydrophobicContact CG2-CG1 3.51Å; L45-I71 HydrophobicContact CD1-CG2 4.18Å; P64-I71 HydrophobicContact CB-CD1 3.99Å; P64-I71 HydrophobicContact CB-CG1 4Å; P64-I71 HydrophobicContact CG-CD1 4.4Å; I71-E133 CarbonylContact C-O 3.52Å; I71-E133 WeakPolarHBondContact CA-O 3.42Å; I71-C134 HydrophobicContact CD1-CB 4.24Å; I71-N144 HydrophobicContact CD1-CB 3.94Å; I71-I146 HydrophobicContact CB-CD1 4.39Å; I71-I146 HydrophobicContact CD1-CD1 4.31Å; I71-I146 HydrophobicContact CD1-CG1 4.39Å; I71-I146 HydrophobicContact CG1-CD1 3.94Å; I71-I146 HydrophobicContact CG1-CG1 4.28Å; I71-I146 HydrophobicContact CG2-CD1 3.72Å |
| 72 | R | 90.3 | Very high | 94 | Very high | 139 Ų | 139 | 53.6 Ų | 53.6 | 53% | 0.525 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 154 | -179.2 | 64.4 | -179.6 | -175.8 | 171.5 | 3.3 | 109.8 | E133 | R72-E133 PolarHBondContact N-O 2.94Å; R72-E133 CarbonylContact O-C 3.53Å; R72-E133 VanDerWaalsContact O-C 3.26Å; R72-E133 WeakPolarHBondContact O-CB 3.17Å; R72-E133 WeakPolarHBondContact O-CG 3.45Å |
| 73 | G | 91.5 | Very high | 93.9 | Very high | 69 Ų | 69 | 52.4 Ų | 52.4 | 71% | 0.711 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 73.6 | -132.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 74 | R | 94.3 | Very high | 93.9 | Very high | 177 Ų | 177 | 61.7 Ų | 61.7 | 67% | 0.668 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 134.2 | -164.9 | -62.2 | 178 | 178.6 | 175.1 | 0.6 | 112.8 | L76 E133 | R74-L76 HydrophobicContact CB-CD2 4.02Å; R74-L76 HydrophobicContact CB-CG 4.31Å; R74-E133 PolarHBondContact N-OE2 2.96Å; R74-E133 WeakPolarHBondContact O-CB 3.37Å; R74-E133 PolarHBondContact O-N 2.92Å |
| 75 | I | 95.8 | Very high | 93.8 | Very high | 78 Ų | 78 | 66.4 Ų | 66.4 | 40% | 0.4 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.1 | 164.3 | -59.9 | 165.6 | 0 | 0 | 0 | 108 | L45 F47 I130 V131 | L45-I75 HydrophobicContact CD1-CD1 4.11Å; F47-I75 HydrophobicContact CE2-CD1 3.89Å; F47-I75 HydrophobicContact CZ-CD1 4.3Å; F47-I75 HydrophobicContact CZ-CG2 4.35Å; I75-I130 HydrophobicContact CG2-CG2 3.33Å; I75-V131 CarbonylContact C-O 3.26Å; I75-V131 WeakPolarHBondContact CA-O 3.47Å |
| 76 | L | 96 | Very high | 93.6 | Very high | 24 Ų | 24 | 73.1 Ų | 73.1 | 13% | 0.126 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 149.3 | -175.7 | -54.9 | 178 | 0 | 0 | 0 | 110 | R74 R93 M112 I130 V131 Y143 | R74-L76 HydrophobicContact CB-CD2 4.02Å; R74-L76 HydrophobicContact CB-CG 4.31Å; L76-R93 VanDerWaalsContact CD1-NH1 3.3Å; L76-M112 HydrophobicContact CD1-CE 3.93Å; L76-M112 HydrophobicContact CD1-SD 4.45Å; L76-I130 CarbonylContact O-C 3.55Å; L76-I130 WeakPolarHBondContact O-CA 3.36Å; L76-V131 HydrophobicContact CB-CG2 3.81Å; L76-V131 PolarHBondContact N-O 2.79Å; L76-V131 WeakPolarHBondContact O-CG2 3.34Å; L76-V131 PolarHBondContact O-N 2.98Å; L76-Y143 HydrophobicContact CD1-CD1 4.15Å; L76-Y143 HydrophobicContact CD1-CE1 3.35Å; L76-Y143 HydrophobicContact CD1-CE2 4.43Å; L76-Y143 HydrophobicContact CG-CE1 4Å |
| 77 | S | 96.2 | Very high | 93.6 | Very high | 70 Ų | 70 | 76.8 Ų | 76.8 | 49% | 0.49 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 148 | 171 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | R93 V129 | S77-R93 VanDerWaalsContact O-CD 3.32Å; S77-R93 WeakPolarHBondContact O-CD 3.39Å; S77-R93 WeakPolarHBondContact O-CG 3.42Å; S77-R93 PolarHBondContact O-NE 2.9Å; S77-V129 WeakPolarHBondContact CA-O 3.39Å |
| 78 | G | 96.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 77.1 Ų | 77.1 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 164 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R92 V129 | G78-R92 WeakPolarHBondContact CA-O 3.48Å; G78-V129 PolarHBondContact N-O 3.45Å; G78-V129 WeakPolarHBondContact O-CG2 3.27Å; G78-V129 PolarHBondContact O-N 3.48Å |
| 79 | V | 96.6 | Very high | 94.1 | Very high | 58 Ų | 58 | 72.2 Ų | 72.2 | 35% | 0.352 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 137.5 | 178.2 | -180 | 0 | 0 | 0 | 0 | 109.2 | V81 I91 R92 D127 | V79-V81 PolarHBondContact O-N 2.95Å; V79-I91 CarbonylContact O-C 3.57Å; V79-I91 VanDerWaalsContact O-CA 3.31Å; V79-I91 WeakPolarHBondContact O-CA 3.4Å; V79-R92 PolarHBondContact N-O 2.88Å; V79-R92 PolarHBondContact O-N 3.13Å; V79-D127 WeakPolarHBondContact CA-O 3.1Å |
| 80 | V | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123.7 | 177.2 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | M83 I89 I91 V123 G126 D127 V129 | V80-M83 HydrophobicContact CB-CE 3.99Å; V80-M83 HydrophobicContact CG1-CE 3.43Å; V80-M83 VanDerWaalsContact CG1-CE 3.43Å; V80-M83 HydrophobicContact CG1-CG 3.71Å; V80-M83 HydrophobicContact CG1-SD 4.45Å; V80-M83 HydrophobicContact CG2-CE 4.08Å; V80-I89 HydrophobicContact CG1-CB 4.08Å; V80-I89 HydrophobicContact CG1-CD1 4.21Å; V80-I89 HydrophobicContact CG1-CG2 4.48Å; V80-I89 HydrophobicContact CG2-CD1 3.78Å; V80-I91 HydrophobicContact CG2-CG2 4.45Å; V80-V123 HydrophobicContact CG2-CG1 4.21Å; V80-G126 PolarHBondContact O-N 3.2Å; V80-D127 PolarHBondContact N-O 2.77Å; V80-V129 HydrophobicContact CG2-CB 4.39Å; V80-V129 HydrophobicContact CG2-CG1 3.62Å; V80-V129 HydrophobicContact CG2-CG2 3.85Å |
| 81 | V | 95.9 | Very high | 94.5 | Very high | 59 Ų | 59 | 69.5 Ų | 69.5 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -39.5 | -179.8 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | V79 V90 R92 V125 | V79-V81 PolarHBondContact O-N 2.95Å; V81-V90 PolarHBondContact N-O 3.34Å; V81-R92 HydrophobicContact CG2-CB 3.28Å; V81-R92 HydrophobicContact CG2-CG 4.34Å; V81-V125 WeakPolarHBondContact O-CG1 3.34Å |
| 82 | K | 95.3 | Very high | 94.7 | Very high | 122 Ų | 122 | 73 Ų | 73 | 53% | 0.53 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.5 | -178.9 | -57.4 | -176.5 | 179.8 | 177.4 | 0 | 111 | V90 | K82-V90 HydrophobicContact CB-CB 4.15Å; K82-V90 HydrophobicContact CB-CG2 4.35Å; K82-V90 PolarHBondContact N-O 3.46Å; K82-V90 PolarHBondContact O-N 3.17Å |
| 83 | M | 92.7 | Very high | 95 | Very high | 61 Ų | 61 | 70 Ų | 70 | 30% | 0.3 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 48.1 | 174.5 | -62.3 | -161.8 | 176.4 | 0 | 0 | 111.5 | V80 I89 V123 K124 V125 | V80-M83 HydrophobicContact CB-CE 3.99Å; V80-M83 HydrophobicContact CG1-CE 3.43Å; V80-M83 VanDerWaalsContact CG1-CE 3.43Å; V80-M83 HydrophobicContact CG1-CG 3.71Å; V80-M83 HydrophobicContact CG1-SD 4.45Å; V80-M83 HydrophobicContact CG2-CE 4.08Å; M83-I89 HydrophobicContact CB-CG2 4.34Å; M83-I89 HydrophobicContact CE-CG2 4.18Å; M83-I89 HydrophobicContact CG-CB 4.45Å; M83-I89 HydrophobicContact CG-CG2 3.71Å; M83-I89 HydrophobicContact SD-CG2 4.19Å; M83-V123 HydrophobicContact CE-CB 3.55Å; M83-V123 HydrophobicContact CE-CG1 3.23Å; M83-V123 WeakPolarHBondContact CE-O 3.49Å; M83-V123 VanDerWaalsContact SD-O 3.41Å; M83-K124 VanDerWaalsContact CE-C 3.45Å; M83-K124 WeakPolarHBondContact CE-O 3.47Å; M83-V125 HydrophobicContact CG-CG2 4.21Å |
| 84 | K | 92.2 | Very high | 95.2 | Very high | 194 Ų | 194 | 71.4 Ų | 71.4 | 84% | 0.843 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -16.6 | -177.4 | -62.8 | -169.3 | 176.9 | -168.6 | 0 | 113.5 | ||
| 85 | M | 92.1 | Very high | 95.3 | Very high | 104 Ų | 104 | 68.1 Ų | 68.1 | 51% | 0.512 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 142.9 | -176 | -64.1 | 176.1 | 69.1 | 0 | 0 | 110.6 | R87 T88 | M85-R87 PolarHBondContact O-N 3.02Å; M85-T88 HydrophobicContact CE-CG2 4.3Å; M85-T88 PolarHBondContact O-N 2.82Å; M85-T88 HydrophobicContact SD-CG2 4.26Å |
| 86 | Q | 90.2 | Very high | 95.4 | Very high | 141 Ų | 141 | 69.6 Ų | 69.6 | 66% | 0.659 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 126.5 | 175.8 | -168.5 | -173.4 | 8.1 | 0 | 0 | 110.5 | T88 | Q86-T88 PolarHBondContact O-N 2.73Š|
| 87 | R | 91.9 | Very high | 95.4 | Very high | 83 Ų | 83 | 71.7 Ų | 71.7 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 22.6 | 178.8 | -61 | 177.6 | -172.2 | 178.8 | 6.6 | 114.1 | I59 M85 H115 L116 P118 | I59-R87 PolarHBondContact O-NH1 3.28Å; M85-R87 PolarHBondContact O-N 3.02Å; R87-H115 PolarHBondContact O-ND1 3.27Å; R87-L116 PolarHBondContact O-N 2.79Å; R87-P118 HydrophobicContact CG-CG 4.36Å |
| 88 | T | 95.7 | Very high | 95.5 | Very high | 18 Ų | 18 | 72.8 Ų | 72.8 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 134.4 | 179.3 | -61 | 0 | 0 | 0 | 0 | 109.1 | M85 Q86 V114 V141 | M85-T88 HydrophobicContact CE-CG2 4.3Å; M85-T88 PolarHBondContact O-N 2.82Å; M85-T88 HydrophobicContact SD-CG2 4.26Å; Q86-T88 PolarHBondContact O-N 2.73Å; T88-V114 CarbonylContact C-O 3.56Å; T88-V114 VanDerWaalsContact CA-O 3.3Å; T88-V114 WeakPolarHBondContact CA-O 3.33Å; T88-V114 WeakPolarHBondContact CG2-O 3.37Å; T88-V141 HydrophobicContact CG2-CG2 4Å |
| 89 | I | 96.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 152.3 | 176.7 | 60.9 | 172.8 | 0 | 0 | 0 | 110.3 | V80 M83 I91 V114 L116 V129 V145 | V80-I89 HydrophobicContact CG1-CB 4.08Å; V80-I89 HydrophobicContact CG1-CD1 4.21Å; V80-I89 HydrophobicContact CG1-CG2 4.48Å; V80-I89 HydrophobicContact CG2-CD1 3.78Å; M83-I89 HydrophobicContact CB-CG2 4.34Å; M83-I89 HydrophobicContact CE-CG2 4.18Å; M83-I89 HydrophobicContact CG-CB 4.45Å; M83-I89 HydrophobicContact CG-CG2 3.71Å; M83-I89 HydrophobicContact SD-CG2 4.19Å; I89-I91 HydrophobicContact CD1-CG2 4Å; I89-I91 HydrophobicContact CG1-CG2 4.18Å; I89-V114 HydrophobicContact CG1-CB 4.22Å; I89-V114 PolarHBondContact N-O 3.12Å; I89-V114 PolarHBondContact O-N 3.49Å; I89-L116 HydrophobicContact CD1-CD1 4.31Å; I89-L116 HydrophobicContact CG1-CB 4.31Å; I89-L116 HydrophobicContact CG2-CB 3.91Å; I89-L116 HydrophobicContact CG2-CD2 3.65Å; I89-L116 HydrophobicContact CG2-CG 4.31Å; I89-V129 HydrophobicContact CD1-CG1 4.4Å; I89-V129 HydrophobicContact CD1-CG2 4.3Å; I89-V145 HydrophobicContact CD1-CG2 3.73Å; I89-V145 HydrophobicContact CG1-CG2 4.32Å |
| 90 | V | 97.5 | Very high | 95.6 | Very high | 28 Ų | 28 | 80.5 Ų | 80.5 | 17% | 0.17 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 117.4 | 171.2 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | V81 K82 N111 M112 | V81-V90 PolarHBondContact N-O 3.34Å; K82-V90 HydrophobicContact CB-CB 4.15Å; K82-V90 HydrophobicContact CB-CG2 4.35Å; K82-V90 PolarHBondContact N-O 3.46Å; K82-V90 PolarHBondContact O-N 3.17Å; V90-N111 HydrophobicContact CG1-CB 3.98Å; V90-M112 WeakPolarHBondContact CA-O 3.49Å |
| 91 | I | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.6 | 173.9 | 70.6 | 167.2 | 0 | 0 | 0 | 109.5 | V79 V80 I89 R93 N111 M112 V114 V129 V131 | V79-I91 CarbonylContact O-C 3.57Å; V79-I91 VanDerWaalsContact O-CA 3.31Å; V79-I91 WeakPolarHBondContact O-CA 3.4Å; V80-I91 HydrophobicContact CG2-CG2 4.45Å; I89-I91 HydrophobicContact CD1-CG2 4Å; I89-I91 HydrophobicContact CG1-CG2 4.18Å; I91-R93 HydrophobicContact CD1-CG 4.36Å; I91-N111 CarbonylContact O-C 3.59Å; I91-N111 WeakPolarHBondContact O-CA 3.45Å; I91-M112 HydrophobicContact CD1-CE 3.46Å; I91-M112 VanDerWaalsContact CD1-CE 3.46Å; I91-M112 HydrophobicContact CG1-CB 3.94Å; I91-M112 HydrophobicContact CG1-CE 3.96Å; I91-M112 PolarHBondContact N-O 3.42Å; I91-M112 PolarHBondContact O-N 3.28Å; I91-V114 HydrophobicContact CD1-CG2 3.76Å; I91-V114 HydrophobicContact CG1-CG2 3.7Å; I91-V114 HydrophobicContact CG2-CG2 4.05Å; I91-V129 HydrophobicContact CB-CG2 4.38Å; I91-V129 HydrophobicContact CG2-CG2 3.43Å; I91-V129 VanDerWaalsContact CG2-CG2 3.43Å; I91-V131 HydrophobicContact CD1-CG1 3.95Å; I91-V131 HydrophobicContact CD1-CG2 3.8Å |
| 92 | R | 97.2 | Very high | 95.7 | Very high | 96 Ų | 96 | 93.1 Ų | 93.1 | 36% | 0.362 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 136 | 170.3 | 176.2 | 177.5 | 171.1 | 162.4 | 1.5 | 109.3 | G78 V79 V81 D94 H109 | G78-R92 WeakPolarHBondContact CA-O 3.48Å; V79-R92 PolarHBondContact N-O 2.88Å; V79-R92 PolarHBondContact O-N 3.13Å; V81-R92 HydrophobicContact CG2-CB 3.28Å; V81-R92 HydrophobicContact CG2-CG 4.34Å; R92-D94 IonicContact CZ-OD1 3.67Å; R92-D94 IonicContact NE-OD1 3.76Å; R92-D94 PolarHBondContact NE-OD1 2.81Å; R92-D94 IonicContact NE-OD2 2.98Å; R92-D94 IonicContact NH2-OD1 3.39Å; R92-D94 PolarHBondContact NH2-OD1 3.22Å; R92-H109 HydrophobicContact CG-CB 4.15Å |
| 93 | R | 96.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 90.8 Ų | 90.8 | 29% | 0.291 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 118.6 | 173.7 | -60.5 | -169 | 66.9 | -153.2 | 1.8 | 108.7 | L76 S77 I91 H109 K110 M112 | L76-R93 VanDerWaalsContact CD1-NH1 3.3Å; S77-R93 VanDerWaalsContact O-CD 3.32Å; S77-R93 WeakPolarHBondContact O-CD 3.39Å; S77-R93 WeakPolarHBondContact O-CG 3.42Å; S77-R93 PolarHBondContact O-NE 2.9Å; I91-R93 HydrophobicContact CD1-CG 4.36Å; R93-H109 CarbonylContact O-C 3.57Å; R93-H109 VanDerWaalsContact O-CA 3.29Å; R93-H109 WeakPolarHBondContact O-CA 3.43Å; R93-K110 PolarHBondContact N-O 3.4Å; R93-K110 PolarHBondContact O-N 2.86Å; R93-M112 HydrophobicContact CG-CE 3.99Å |
| 94 | D | 96.2 | Very high | 96 | Very high | 98 Ų | 98 | 96.9 Ų | 96.9 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 140.7 | 171.8 | -55.5 | -72.2 | 0 | 0 | 0 | 109.2 | R92 R108 H109 | R92-D94 IonicContact CZ-OD1 3.67Å; R92-D94 IonicContact NE-OD1 3.76Å; R92-D94 PolarHBondContact NE-OD1 2.81Å; R92-D94 IonicContact NE-OD2 2.98Å; R92-D94 IonicContact NH2-OD1 3.39Å; R92-D94 PolarHBondContact NH2-OD1 3.22Å; D94-R108 WeakPolarHBondContact CA-O 3.08Å; D94-H109 VanDerWaalsContact OD1-CB 3.32Å; D94-H109 WeakPolarHBondContact OD1-CB 3.48Å |
| 95 | Y | 96.7 | Very high | 96.3 | Very high | 109 Ų | 109 | 94 Ų | 94 | 43% | 0.427 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 154.1 | 176.8 | 66.4 | -81.9 | 0 | 0 | 0 | 109.7 | H97 R108 K110 | Y95-H97 HydrophobicContact CE2-CB 4.4Å; Y95-R108 HydrophobicContact CD1-CB 4.22Å; Y95-R108 HydrophobicContact CD2-CB 4.24Å; Y95-R108 HydrophobicContact CE1-CB 3.71Å; Y95-R108 HydrophobicContact CE2-CB 3.75Å; Y95-R108 HydrophobicContact CE2-CG 4.41Å; Y95-R108 HydrophobicContact CG-CB 4.46Å; Y95-R108 VanDerWaalsContact CZ-CB 3.47Å; Y95-R108 PolarHBondContact N-O 3.03Å; Y95-R108 PolarHBondContact O-N 3.46Å; Y95-R108 VanDerWaalsContact O-O 3.08Å; Y95-K110 HydrophobicContact CE1-CB 4.22Å |
| 96 | L | 97.4 | Very high | 96.5 | Very high | 109 Ų | 109 | 92.8 Ų | 92.8 | 57% | 0.571 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 137.7 | 175.4 | -63.5 | 177.5 | 0 | 0 | 0 | 109.9 | F105 E106 K107 | L96-F105 HydrophobicContact CB-CB 4.29Å; L96-F105 HydrophobicContact CB-CD1 3.98Å; L96-F105 HydrophobicContact CB-CG 4.46Å; L96-F105 HydrophobicContact CD2-CB 4.48Å; L96-E106 WeakPolarHBondContact CA-O 3.35Å; L96-K107 HydrophobicContact CD2-CG 3.92Å |
| 97 | H | 97.6 | Very high | 96.8 | Very high | 68 Ų | 68 | 95.1 Ų | 95.1 | 32% | 0.315 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.2 | 173.5 | 179.4 | -91.1 | 0 | 0 | 0 | 109.5 | Y95 F105 E106 R108 | Y95-H97 HydrophobicContact CE2-CB 4.4Å; H97-F105 WeakPolarHBondContact O-CA 3.37Å; H97-E106 HydrophobicContact CB-CG 4.12Å; H97-E106 PolarHBondContact N-O 2.93Å; H97-E106 IonicContact ND1-OE1 2.6Å; H97-E106 PolarHBondContact O-N 3.32Å; H97-R108 HydrophobicContact CB-CG 3.97Å; H97-R108 PolarHBondContact CE1-NH2 3.18Å; H97-R108 VanDerWaalsContact CG-CZ 3.49Å; H97-R108 PolarHBondContact ND1-NH2 3.48Å |
| 98 | F | 97.8 | Very high | 97.1 | Very high | 92 Ų | 92 | 95.7 Ų | 95.7 | 40% | 0.404 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 125.1 | -179.4 | -172.5 | -109.2 | 0 | 0 | 0 | 111.1 | K100 A103 F105 | F98-K100 HydrophobicContact CD1-CG 4.26Å; F98-K100 HydrophobicContact CE1-CG 4.4Å; F98-A103 HydrophobicContact CZ-CB 4.27Å; F98-F105 HydrophobicContact CB-CD1 3.86Å; F98-F105 HydrophobicContact CB-CE1 3.59Å; F98-F105 HydrophobicContact CB-CZ 4.24Å; F98-F105 AromaticContact CD2-CD1 3.97Å; F98-F105 HydrophobicContact CD2-CD1 3.97Å; F98-F105 AromaticContact CD2-CD2 3.99Å; F98-F105 HydrophobicContact CD2-CD2 3.99Å; F98-F105 AromaticContact CD2-CE1 3.66Å; F98-F105 HydrophobicContact CD2-CE1 3.66Å; F98-F105 AromaticContact CD2-CE2 3.67Å; F98-F105 HydrophobicContact CD2-CE2 3.67Å; F98-F105 HydrophobicContact CD2-CG 4.14Å; F98-F105 AromaticContact CD2-CZ 3.49Å; F98-F105 HydrophobicContact CD2-CZ 3.49Å; F98-F105 VanDerWaalsContact CD2-CZ 3.49Å; F98-F105 HydrophobicContact CE2-CE2 4.1Å; F98-F105 HydrophobicContact CE2-CZ 4.22Å; F98-F105 HydrophobicContact CG-CD1 4.43Å; F98-F105 HydrophobicContact CG-CE1 4.04Å; F98-F105 HydrophobicContact CG-CZ 4.2Å |
| 99 | V | 97.4 | Very high | 97.2 | Very high | 37 Ų | 37 | 99.7 Ų | 99.7 | 22% | 0.224 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 101.9 | 177.2 | -173 | 0 | 0 | 0 | 0 | 109 | K101 Y102 A103 R104 E106 | V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 2.91Å; V99-Y102 HydrophobicContact CG1-CD2 3.71Å; V99-Y102 HydrophobicContact CG1-CE2 4.43Å; V99-Y102 PolarHBondContact O-N 3.38Å; V99-A103 PolarHBondContact O-N 3.22Å; V99-R104 PolarHBondContact N-O 2.88Å; V99-E106 HydrophobicContact CG2-CB 4.49Å; V99-E106 HydrophobicContact CG2-CG 3.97Å |
| 100 | K | 96.9 | Very high | 97.2 | Very high | 190 Ų | 190 | 105.4 Ų | 105.4 | 83% | 0.826 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -52.6 | -44.9 | -173.7 | -64.1 | -175.6 | 179.2 | -179.1 | 0 | 113.5 | F98 Y102 A103 | F98-K100 HydrophobicContact CD1-CG 4.26Å; F98-K100 HydrophobicContact CE1-CG 4.4Å; K100-Y102 VanDerWaalsContact C-N 3.3Å; K100-Y102 PolarHBondContact O-N 2.63Å; K100-A103 PolarHBondContact O-N 2.95Å |
| 101 | K | 97.8 | Very high | 97.2 | Very high | 172 Ų | 172 | 108.5 Ų | 108.5 | 75% | 0.748 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -60 | -36.8 | -177.1 | -177.4 | 176.4 | -179.9 | 179.5 | 0 | 113.4 | V99 | V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 2.91Å |
| 102 | Y | 97.7 | Very high | 97.1 | Very high | 153 Ų | 153 | 109.4 Ų | 109.4 | 60% | 0.6 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -106 | 0.6 | -175.2 | -58.6 | -68.4 | 0 | 0 | 0 | 113.1 | V99 K100 R104 | V99-Y102 HydrophobicContact CG1-CD2 3.71Å; V99-Y102 HydrophobicContact CG1-CE2 4.43Å; V99-Y102 PolarHBondContact O-N 3.38Å; K100-Y102 VanDerWaalsContact C-N 3.3Å; K100-Y102 PolarHBondContact O-N 2.63Å; Y102-R104 WeakPolarHBondContact O-CG 3.38Å; Y102-R104 PolarHBondContact O-N 3.21Å; Y102-R104 VanDerWaalsContact O-N 3.11Å |
| 103 | A | 95.7 | Very high | 97.1 | Very high | 73 Ų | 73 | 106.2 Ų | 106.2 | 60% | 0.603 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 36 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | F98 V99 K100 | F98-A103 HydrophobicContact CZ-CB 4.27Å; V99-A103 PolarHBondContact O-N 3.22Å; K100-A103 PolarHBondContact O-N 2.95Å |
| 104 | R | 98.2 | Very high | 97.2 | Very high | 189 Ų | 189 | 102.6 Ų | 102.6 | 71% | 0.713 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 152.3 | -175.5 | -77 | 171.8 | -175.3 | -161.9 | 1 | 111.2 | V99 Y102 | V99-R104 PolarHBondContact N-O 2.88Å; Y102-R104 WeakPolarHBondContact O-CG 3.38Å; Y102-R104 PolarHBondContact O-N 3.21Å; Y102-R104 VanDerWaalsContact O-N 3.11Å |
| 105 | F | 97.8 | Very high | 97.2 | Very high | 134 Ų | 134 | 98.1 Ų | 98.1 | 59% | 0.588 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 133.4 | 170.5 | -67.6 | -87.7 | 0 | 0 | 0 | 110.7 | L96 H97 F98 | L96-F105 HydrophobicContact CB-CB 4.29Å; L96-F105 HydrophobicContact CB-CD1 3.98Å; L96-F105 HydrophobicContact CB-CG 4.46Å; L96-F105 HydrophobicContact CD2-CB 4.48Å; H97-F105 WeakPolarHBondContact O-CA 3.37Å; F98-F105 HydrophobicContact CB-CD1 3.86Å; F98-F105 HydrophobicContact CB-CE1 3.59Å; F98-F105 HydrophobicContact CB-CZ 4.24Å; F98-F105 AromaticContact CD2-CD1 3.97Å; F98-F105 HydrophobicContact CD2-CD1 3.97Å; F98-F105 AromaticContact CD2-CD2 3.99Å; F98-F105 HydrophobicContact CD2-CD2 3.99Å; F98-F105 AromaticContact CD2-CE1 3.66Å; F98-F105 HydrophobicContact CD2-CE1 3.66Å; F98-F105 AromaticContact CD2-CE2 3.67Å; F98-F105 HydrophobicContact CD2-CE2 3.67Å; F98-F105 HydrophobicContact CD2-CG 4.14Å; F98-F105 AromaticContact CD2-CZ 3.49Å; F98-F105 HydrophobicContact CD2-CZ 3.49Å; F98-F105 VanDerWaalsContact CD2-CZ 3.49Å; F98-F105 HydrophobicContact CE2-CE2 4.1Å; F98-F105 HydrophobicContact CE2-CZ 4.22Å; F98-F105 HydrophobicContact CG-CD1 4.43Å; F98-F105 HydrophobicContact CG-CE1 4.04Å; F98-F105 HydrophobicContact CG-CZ 4.2Å |
| 106 | E | 96.8 | Very high | 97.1 | Very high | 78 Ų | 78 | 94.1 Ų | 94.1 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 149.5 | 168.5 | 66.2 | -179.4 | -171.9 | 0 | 0 | 110.9 | L96 H97 V99 R108 | L96-E106 WeakPolarHBondContact CA-O 3.35Å; H97-E106 HydrophobicContact CB-CG 4.12Å; H97-E106 PolarHBondContact N-O 2.93Å; H97-E106 IonicContact ND1-OE1 2.6Å; H97-E106 PolarHBondContact O-N 3.32Å; V99-E106 HydrophobicContact CG2-CB 4.49Å; V99-E106 HydrophobicContact CG2-CG 3.97Å; E106-R108 HydrophobicContact CG-CG 4.27Å; E106-R108 IonicContact OE1-CZ 3.11Å; E106-R108 IonicContact OE1-NE 2.73Å; E106-R108 PolarHBondContact OE1-NE 3.43Å; E106-R108 IonicContact OE1-NH2 2.68Å; E106-R108 PolarHBondContact OE1-NH2 3Å |
| 107 | K | 97.6 | Very high | 96.9 | Very high | 191 Ų | 191 | 88.9 Ų | 88.9 | 83% | 0.83 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 119 | 175.1 | -65.4 | 179.2 | -177.2 | 177 | 0 | 108.9 | L96 | L96-K107 HydrophobicContact CD2-CG 3.92Å |
| 108 | R | 97.7 | Very high | 96.6 | Very high | 95 Ų | 95 | 86.2 Ų | 86.2 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 163.1 | 170.6 | -67.1 | -167.1 | -179.6 | -177.1 | -1.4 | 110.4 | D94 Y95 H97 E106 | D94-R108 WeakPolarHBondContact CA-O 3.08Å; Y95-R108 HydrophobicContact CD1-CB 4.22Å; Y95-R108 HydrophobicContact CD2-CB 4.24Å; Y95-R108 HydrophobicContact CE1-CB 3.71Å; Y95-R108 HydrophobicContact CE2-CB 3.75Å; Y95-R108 HydrophobicContact CE2-CG 4.41Å; Y95-R108 HydrophobicContact CG-CB 4.46Å; Y95-R108 VanDerWaalsContact CZ-CB 3.47Å; Y95-R108 PolarHBondContact N-O 3.03Å; Y95-R108 PolarHBondContact O-N 3.46Å; Y95-R108 VanDerWaalsContact O-O 3.08Å; H97-R108 HydrophobicContact CB-CG 3.97Å; H97-R108 PolarHBondContact CE1-NH2 3.18Å; H97-R108 VanDerWaalsContact CG-CZ 3.49Å; H97-R108 PolarHBondContact ND1-NH2 3.48Å; E106-R108 HydrophobicContact CG-CG 4.27Å; E106-R108 IonicContact OE1-CZ 3.11Å; E106-R108 IonicContact OE1-NE 2.73Å; E106-R108 PolarHBondContact OE1-NE 3.43Å; E106-R108 IonicContact OE1-NH2 2.68Å; E106-R108 PolarHBondContact OE1-NH2 3Å |
| 109 | H | 96.7 | Very high | 96.3 | Very high | 101 Ų | 101 | 81.9 Ų | 81.9 | 47% | 0.468 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.9 | 175.4 | 66.9 | -90.6 | 0 | 0 | 0 | 111.5 | R92 R93 D94 | R92-H109 HydrophobicContact CG-CB 4.15Å; R93-H109 CarbonylContact O-C 3.57Å; R93-H109 VanDerWaalsContact O-CA 3.29Å; R93-H109 WeakPolarHBondContact O-CA 3.43Å; D94-H109 VanDerWaalsContact OD1-CB 3.32Å; D94-H109 WeakPolarHBondContact OD1-CB 3.48Å |
| 110 | K | 96.8 | Very high | 96 | Very high | 124 Ų | 124 | 81 Ų | 81 | 54% | 0.539 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.9 | 172.9 | -175.4 | 174.2 | -177.7 | 174.8 | 0 | 109.7 | R93 Y95 M112 | R93-K110 PolarHBondContact N-O 3.4Å; R93-K110 PolarHBondContact O-N 2.86Å; Y95-K110 HydrophobicContact CE1-CB 4.22Å; K110-M112 HydrophobicContact CD-CG 4.34Å; K110-M112 HydrophobicContact CD-SD 4.38Å; K110-M112 HydrophobicContact CG-CG 4.1Å |
| 111 | N | 97 | Very high | 95.3 | Very high | 92 Ų | 92 | 74.6 Ų | 74.6 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135.7 | 171.3 | -65.6 | -28.4 | 0 | 0 | 0 | 109.6 | V90 I91 | V90-N111 HydrophobicContact CG1-CB 3.98Å; I91-N111 CarbonylContact O-C 3.59Å; I91-N111 WeakPolarHBondContact O-CA 3.45Å |
| 112 | M | 96.1 | Very high | 94.8 | Very high | 20 Ų | 20 | 70.4 Ų | 70.4 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 136.7 | -179.6 | -54.1 | -170.2 | -45.5 | 0 | 0 | 109.9 | L76 V90 I91 R93 K110 | L76-M112 HydrophobicContact CD1-CE 3.93Å; L76-M112 HydrophobicContact CD1-SD 4.45Å; V90-M112 WeakPolarHBondContact CA-O 3.49Å; I91-M112 HydrophobicContact CD1-CE 3.46Å; I91-M112 VanDerWaalsContact CD1-CE 3.46Å; I91-M112 HydrophobicContact CG1-CB 3.94Å; I91-M112 HydrophobicContact CG1-CE 3.96Å; I91-M112 PolarHBondContact N-O 3.42Å; I91-M112 PolarHBondContact O-N 3.28Å; R93-M112 HydrophobicContact CG-CE 3.99Å; K110-M112 HydrophobicContact CD-CG 4.34Å; K110-M112 HydrophobicContact CD-SD 4.38Å; K110-M112 HydrophobicContact CG-CG 4.1Å |
| 113 | S | 97.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 63.8 Ų | 63.8 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 129.8 | 173.9 | -59.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 114 | V | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.4 | -173 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | T88 I89 I91 L116 V131 Y143 V145 | T88-V114 CarbonylContact C-O 3.56Å; T88-V114 VanDerWaalsContact CA-O 3.3Å; T88-V114 WeakPolarHBondContact CA-O 3.33Å; T88-V114 WeakPolarHBondContact CG2-O 3.37Å; I89-V114 HydrophobicContact CG1-CB 4.22Å; I89-V114 PolarHBondContact N-O 3.12Å; I89-V114 PolarHBondContact O-N 3.49Å; I91-V114 HydrophobicContact CD1-CG2 3.76Å; I91-V114 HydrophobicContact CG1-CG2 3.7Å; I91-V114 HydrophobicContact CG2-CG2 4.05Å; V114-L116 PolarHBondContact O-N 3Å; V114-V131 HydrophobicContact CB-CG1 4.42Å; V114-V131 HydrophobicContact CG1-CB 3.99Å; V114-V131 HydrophobicContact CG1-CG1 3.62Å; V114-V131 HydrophobicContact CG2-CG1 4.14Å; V114-Y143 WeakPolarHBondContact CG1-O 2.99Å; V114-V145 HydrophobicContact CG1-CG2 3.72Å |
| 115 | H | 96.8 | Very high | 94 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 124.5 | 173.3 | -173.9 | 79.7 | 0 | 0 | 0 | 110 | D60 R87 S117 L137 V141 Y143 N144 V145 | D60-H115 IonicContact OD1-CE1 2.73Å; D60-H115 IonicContact OD1-NE2 2.91Å; D60-H115 IonicContact OD2-CD2 3.45Å; D60-H115 IonicContact OD2-CE1 3.91Å; D60-H115 PolarHBondContact OD2-CE1 3.38Å; D60-H115 IonicContact OD2-NE2 3.8Å; D60-H115 PolarHBondContact OD2-NE2 3.45Å; R87-H115 PolarHBondContact O-ND1 3.27Å; H115-S117 PolarHBondContact CD2-OG 2.6Å; H115-L137 HydrophobicContact CB-CD1 3.76Å; H115-V141 HydrophobicContact CB-CG1 3.81Å; H115-Y143 PolarHBondContact N-O 2.93Å; H115-N144 PolarHBondContact CD2-ND2 2.84Å; H115-N144 VanDerWaalsContact CD2-ND2 3.34Å; H115-N144 PolarHBondContact O-OD1 2.81Å; H115-V145 PolarHBondContact O-N 2.76Å |
| 116 | L | 95.5 | Very high | 93.8 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | trans | -103.1 | 105.5 | 172.2 | -177.9 | 69.1 | 0 | 0 | 0 | 108.3 | R87 I89 V114 F120 V123 V145 | R87-L116 PolarHBondContact O-N 2.79Å; I89-L116 HydrophobicContact CD1-CD1 4.31Å; I89-L116 HydrophobicContact CG1-CB 4.31Å; I89-L116 HydrophobicContact CG2-CB 3.91Å; I89-L116 HydrophobicContact CG2-CD2 3.65Å; I89-L116 HydrophobicContact CG2-CG 4.31Å; V114-L116 PolarHBondContact O-N 3Å; L116-F120 HydrophobicContact CD1-CB 3.77Å; L116-F120 HydrophobicContact CD1-CD2 4.25Å; L116-F120 HydrophobicContact CD1-CG 4.43Å; L116-V123 HydrophobicContact CD1-CG2 3.96Å; L116-V123 HydrophobicContact CD2-CB 4.49Å; L116-V123 HydrophobicContact CD2-CG2 4.41Å; L116-V145 HydrophobicContact CD1-CB 4.05Å; L116-V145 HydrophobicContact CD1-CG1 4.2Å; L116-V145 HydrophobicContact CD1-CG2 3.81Å | ||
| 117 | S | 93.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -67.5 | 140 | 175.8 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | C63 P64 H115 C119 F120 N144 | C63-S117 WeakPolarHBondContact CA-OG 3.32Å; P64-S117 WeakPolarHBondContact CD-OG 3.47Å; H115-S117 PolarHBondContact CD2-OG 2.6Å; S117-C119 WeakPolarHBondContact CB-SG 3.47Å; S117-C119 PolarHBondContact O-N 2.97Å; S117-F120 PolarHBondContact O-N 3.49Å; S117-N144 PolarHBondContact OG-OD1 2.89Å; S117-N144 VanDerWaalsContact OG-OD1 3.13Å | ||
| 118 | P | 91.5 | Very high | 93.6 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 7% | 0.071 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 8.8 | 179.6 | -16.7 | 28.2 | 0 | 0 | 0 | 115.5 | P6 Y58 D60 R87 F120 N121 | P6-P118 HydrophobicContact CB-CB 4.45Å; P6-P118 HydrophobicContact CG-CB 3.87Å; Y58-P118 HydrophobicContact CD1-CB 4.09Å; Y58-P118 HydrophobicContact CD2-CB 3.77Å; Y58-P118 HydrophobicContact CD2-CG 3.78Å; Y58-P118 HydrophobicContact CE1-CB 4.45Å; Y58-P118 HydrophobicContact CE2-CB 4.16Å; Y58-P118 HydrophobicContact CE2-CG 4.23Å; Y58-P118 HydrophobicContact CG-CB 3.75Å; Y58-P118 HydrophobicContact CG-CG 4.2Å; D60-P118 HydrophobicContact CB-CG 4.49Å; D60-P118 WeakPolarHBondContact OD2-CD 3.41Å; R87-P118 HydrophobicContact CG-CG 4.36Å; P118-F120 VanDerWaalsContact C-N 3.26Å; P118-N121 PolarHBondContact O-OD1 2.97Å |
| 119 | C | 90.9 | Very high | 93.5 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -26.7 | 162.2 | 43.7 | 0 | 0 | 0 | 0 | 112 | P50 T52 A53 Y58 S117 N121 | P50-C119 HydrophobicContact CB-CB 4.28Å; P50-C119 HydrophobicContact CG-CB 3.65Å; T52-C119 WeakPolarHBondContact CB-O 3.21Å; T52-C119 VanDerWaalsContact OG1-C 3.3Å; T52-C119 WeakPolarHBondContact OG1-CA 3.34Å; T52-C119 WeakPolarHBondContact OG1-CB 3.47Å; T52-C119 PolarHBondContact OG1-O 2.88Å; A53-C119 HydrophobicContact CB-CB 4Å; Y58-C119 HydrophobicContact CE1-CB 4.34Å; Y58-C119 VanDerWaalsContact OH-CB 3.26Å; Y58-C119 WeakPolarHBondContact OH-CB 3.48Å; S117-C119 WeakPolarHBondContact CB-SG 3.47Å; S117-C119 PolarHBondContact O-N 2.97Å; C119-N121 PolarHBondContact O-N 2.61Å |
| 120 | F | 91.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | trans | -101.8 | 77.2 | -178.2 | -56.8 | -67.1 | 0 | 0 | 0 | 109.1 | P50 F65 L116 S117 P118 V123 V145 I146 V148 | P50-F120 HydrophobicContact CB-CE1 4.14Å; P50-F120 HydrophobicContact CG-CE1 4.13Å; P50-F120 HydrophobicContact CG-CZ 4.09Å; F65-F120 AromaticContact CE2-CE2 3.77Å; F65-F120 HydrophobicContact CE2-CE2 3.77Å; F65-F120 AromaticContact CE2-CZ 3.63Å; F65-F120 HydrophobicContact CE2-CZ 3.63Å; F65-F120 HydrophobicContact CZ-CZ 4.03Å; L116-F120 HydrophobicContact CD1-CB 3.77Å; L116-F120 HydrophobicContact CD1-CD2 4.25Å; L116-F120 HydrophobicContact CD1-CG 4.43Å; S117-F120 PolarHBondContact O-N 3.49Å; P118-F120 VanDerWaalsContact C-N 3.26Å; F120-V123 HydrophobicContact CB-CG2 3.54Å; F120-V123 WeakPolarHBondContact O-CG2 2.78Å; F120-V145 HydrophobicContact CD2-CB 4.25Å; F120-V145 HydrophobicContact CD2-CG1 3.9Å; F120-V145 HydrophobicContact CE2-CB 4.32Å; F120-V145 HydrophobicContact CE2-CG1 3.98Å; F120-V145 WeakPolarHBondContact CE2-O 3.43Å; F120-V145 HydrophobicContact CG-CG1 4.45Å; F120-I146 WeakPolarHBondContact CZ-O 3.18Å; F120-V148 HydrophobicContact CB-CG2 4.06Å; F120-V148 HydrophobicContact CD1-CG2 3.67Å; F120-V148 HydrophobicContact CE1-CG2 4.28Å; F120-V148 HydrophobicContact CG-CG2 3.87Å | ||
| 121 | N | 82.7 | Confident | 93.5 | Very high | 55 Ų | 55 | 31 Ų | 31 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | trans | -82.3 | -22.4 | -176.5 | -67.9 | -23.8 | 0 | 0 | 0 | 113.4 | A3 P118 C119 | A3-N121 HydrophobicContact CB-CB 3.93Å; P118-N121 PolarHBondContact O-OD1 2.97Å; C119-N121 PolarHBondContact O-N 2.61Å | ||
| 122 | D | 86.1 | Confident | 93.5 | Very high | 84 Ų | 84 | 26.6 Ų | 26.6 | 45% | 0.449 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -91 | -1.6 | -171.7 | 61.9 | -43.1 | 0 | 0 | 0 | 113 | K124 K150 | D122-K124 PolarHBondContact O-N 2.8Å; D122-K150 PolarHBondContact O-NZ 3.49Å; D122-K150 WeakPolarHBondContact OD2-CE 2.9Å; D122-K150 IonicContact OD2-NZ 2.91Å; D122-K150 PolarHBondContact OD2-NZ 3.1Å |
| 123 | V | 90.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | trans | -65 | 133.3 | -175.5 | -158.2 | 0 | 0 | 0 | 0 | 110 | V80 M83 L116 F120 D127 V129 V148 | V80-V123 HydrophobicContact CG2-CG1 4.21Å; M83-V123 HydrophobicContact CE-CB 3.55Å; M83-V123 HydrophobicContact CE-CG1 3.23Å; M83-V123 WeakPolarHBondContact CE-O 3.49Å; M83-V123 VanDerWaalsContact SD-O 3.41Å; L116-V123 HydrophobicContact CD1-CG2 3.96Å; L116-V123 HydrophobicContact CD2-CB 4.49Å; L116-V123 HydrophobicContact CD2-CG2 4.41Å; F120-V123 HydrophobicContact CB-CG2 3.54Å; F120-V123 WeakPolarHBondContact O-CG2 2.78Å; V123-D127 HydrophobicContact CG1-CB 4.09Å; V123-V129 HydrophobicContact CG1-CG1 4.13Å; V123-V148 HydrophobicContact CB-CG1 4.5Å; V123-V148 HydrophobicContact CG1-CG1 3.94Å; V123-V148 HydrophobicContact CG1-CG2 4.39Å; V123-V148 HydrophobicContact CG2-CB 4.41Å; V123-V148 HydrophobicContact CG2-CG1 4.06Å; V123-V148 HydrophobicContact CG2-CG2 3.58Å | ||
| 124 | K | 91.5 | Very high | 93.4 | Very high | 89 Ų | 89 | 27.1 Ų | 27.1 | 39% | 0.387 | 15% | 0.151 | S | C | . | . | trans | -120.2 | 163.9 | 176.7 | -63.7 | -179.7 | -177 | -174.9 | 0 | 111.1 | M83 D122 G126 D127 E159 | M83-K124 VanDerWaalsContact CE-C 3.45Å; M83-K124 WeakPolarHBondContact CE-O 3.47Å; D122-K124 PolarHBondContact O-N 2.8Å; K124-G126 PolarHBondContact O-N 3.03Å; K124-D127 PolarHBondContact N-OD2 2.54Å; K124-D127 WeakPolarHBondContact O-CB 3.35Å; K124-D127 PolarHBondContact O-N 3.28Å; K124-E159 WeakPolarHBondContact CE-OE1 3.25Å; K124-E159 IonicContact NZ-OE1 2.97Å; K124-E159 PolarHBondContact NZ-OE1 3.5Å; K124-E159 IonicContact NZ-OE2 3.88Å; K124-E159 PolarHBondContact NZ-OE2 3.33Å | ||
| 125 | V | 93 | Very high | 93.3 | Very high | 94 Ų | 94 | 32 Ų | 32 | 57% | 0.57 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 136.8 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | V81 M83 | V81-V125 WeakPolarHBondContact O-CG1 3.34Å; M83-V125 HydrophobicContact CG-CG2 4.21Å |
| 126 | G | 93.2 | Very high | 93.3 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 33% | 0.33 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -13.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V80 K124 | V80-G126 PolarHBondContact O-N 3.2Å; K124-G126 PolarHBondContact O-N 3.03Å |
| 127 | D | 94.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | trans | -64.5 | 148 | 171.9 | -78.5 | -20.2 | 0 | 0 | 0 | 110.8 | V79 V80 V123 K124 V148 K150 A151 | V79-D127 WeakPolarHBondContact CA-O 3.1Å; V80-D127 PolarHBondContact N-O 2.77Å; V123-D127 HydrophobicContact CG1-CB 4.09Å; K124-D127 PolarHBondContact N-OD2 2.54Å; K124-D127 WeakPolarHBondContact O-CB 3.35Å; K124-D127 PolarHBondContact O-N 3.28Å; D127-V148 HydrophobicContact CB-CG1 4.28Å; D127-K150 WeakPolarHBondContact OD1-CA 3.26Å; D127-K150 IonicContact OD2-NZ 2.84Å; D127-K150 PolarHBondContact OD2-NZ 3.45Å; D127-A151 PolarHBondContact OD1-N 3.07Å | ||
| 128 | T | 95.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.8 | 171.7 | -61.5 | 0 | 0 | 0 | 0 | 109 | I149 | T128-I149 PolarHBondContact N-O 2.9Å; T128-I149 CarbonylContact O-C 3.59Å; T128-I149 WeakPolarHBondContact O-CA 3.42Å; T128-I149 WeakPolarHBondContact O-CB 3.33Å; T128-I149 PolarHBondContact O-N 2.9Å |
| 129 | V | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.6 | 179.1 | -66.2 | 0 | 0 | 0 | 0 | 111 | S77 G78 V80 I89 I91 V123 V131 V145 V148 | S77-V129 WeakPolarHBondContact CA-O 3.39Å; G78-V129 PolarHBondContact N-O 3.45Å; G78-V129 WeakPolarHBondContact O-CG2 3.27Å; G78-V129 PolarHBondContact O-N 3.48Å; V80-V129 HydrophobicContact CG2-CB 4.39Å; V80-V129 HydrophobicContact CG2-CG1 3.62Å; V80-V129 HydrophobicContact CG2-CG2 3.85Å; I89-V129 HydrophobicContact CD1-CG1 4.4Å; I89-V129 HydrophobicContact CD1-CG2 4.3Å; I91-V129 HydrophobicContact CB-CG2 4.38Å; I91-V129 HydrophobicContact CG2-CG2 3.43Å; I91-V129 VanDerWaalsContact CG2-CG2 3.43Å; V123-V129 HydrophobicContact CG1-CG1 4.13Å; V129-V131 HydrophobicContact CB-CG1 4.42Å; V129-V131 HydrophobicContact CG2-CG1 3.97Å; V129-V145 HydrophobicContact CB-CG1 4.34Å; V129-V145 HydrophobicContact CG1-CG1 4.35Å; V129-V148 HydrophobicContact CG1-CG1 4.33Å; V129-V148 HydrophobicContact CG1-CG2 4.14Å |
| 130 | I | 96.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.1 | 167.4 | -57.8 | -176.8 | 0 | 0 | 0 | 107.3 | F47 I75 L76 I146 K147 I149 | F47-I130 HydrophobicContact CE1-CD1 4.39Å; F47-I130 HydrophobicContact CE1-CG2 4.19Å; F47-I130 HydrophobicContact CZ-CG2 4.01Å; I75-I130 HydrophobicContact CG2-CG2 3.33Å; L76-I130 CarbonylContact O-C 3.55Å; L76-I130 WeakPolarHBondContact O-CA 3.36Å; I130-I146 PolarHBondContact O-N 2.99Å; I130-K147 HydrophobicContact CB-CB 4.18Å; I130-K147 HydrophobicContact CD1-CB 4.49Å; I130-K147 HydrophobicContact CD1-CD 4.21Å; I130-K147 PolarHBondContact N-O 3.21Å; I130-K147 PolarHBondContact O-N 2.94Å; I130-I149 HydrophobicContact CD1-CD1 4.09Å; I130-I149 HydrophobicContact CG1-CD1 4.25Å |
| 131 | V | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.6 | -176.6 | -51.3 | 0 | 0 | 0 | 0 | 109.2 | I75 L76 I91 V114 V129 Y143 N144 V145 | I75-V131 CarbonylContact C-O 3.26Å; I75-V131 WeakPolarHBondContact CA-O 3.47Å; L76-V131 HydrophobicContact CB-CG2 3.81Å; L76-V131 PolarHBondContact N-O 2.79Å; L76-V131 WeakPolarHBondContact O-CG2 3.34Å; L76-V131 PolarHBondContact O-N 2.98Å; I91-V131 HydrophobicContact CD1-CG1 3.95Å; I91-V131 HydrophobicContact CD1-CG2 3.8Å; V114-V131 HydrophobicContact CB-CG1 4.42Å; V114-V131 HydrophobicContact CG1-CB 3.99Å; V114-V131 HydrophobicContact CG1-CG1 3.62Å; V114-V131 HydrophobicContact CG2-CG1 4.14Å; V129-V131 HydrophobicContact CB-CG1 4.42Å; V129-V131 HydrophobicContact CG2-CG1 3.97Å; V131-Y143 HydrophobicContact CG2-CD1 3.92Å; V131-Y143 HydrophobicContact CG2-CG 4.34Å; V131-N144 CarbonylContact C-O 3.48Å; V131-N144 WeakPolarHBondContact CA-O 3.15Å; V131-N144 WeakPolarHBondContact CB-O 3.35Å; V131-V145 HydrophobicContact CG1-CG2 4.22Å |
| 132 | G | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 143.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y143 N144 | G132-Y143 CarbonylContact O-C 3.58Å; G132-Y143 VanDerWaalsContact O-CA 3.32Å; G132-Y143 WeakPolarHBondContact O-CA 3.48Å; G132-N144 PolarHBondContact N-O 3.24Å; G132-N144 PolarHBondContact O-N 3.29Å |
| 133 | E | 97.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 48.8 Ų | 48.8 | 27% | 0.271 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 146.6 | 170.9 | 175.8 | 175.4 | -170.9 | 0 | 0 | 110.7 | I71 R72 R74 Y143 | I71-E133 CarbonylContact C-O 3.52Å; I71-E133 WeakPolarHBondContact CA-O 3.42Å; R72-E133 PolarHBondContact N-O 2.94Å; R72-E133 CarbonylContact O-C 3.53Å; R72-E133 VanDerWaalsContact O-C 3.26Å; R72-E133 WeakPolarHBondContact O-CB 3.17Å; R72-E133 WeakPolarHBondContact O-CG 3.45Å; R74-E133 PolarHBondContact N-OE2 2.96Å; R74-E133 WeakPolarHBondContact O-CB 3.37Å; R74-E133 PolarHBondContact O-N 2.92Å; E133-Y143 HydrophobicContact CB-CD1 3.94Å; E133-Y143 HydrophobicContact CB-CE1 3.46Å; E133-Y143 VanDerWaalsContact CB-CE1 3.46Å; E133-Y143 HydrophobicContact CG-CE1 4.27Å |
| 134 | C | 95.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | -178.4 | 177.9 | 63.4 | 0 | 0 | 0 | 0 | 109.5 | V69 S70 I71 A142 | V69-C134 HydrophobicContact CG1-CB 3.68Å; S70-C134 WeakPolarHBondContact O-CB 3.4Å; I71-C134 HydrophobicContact CD1-CB 4.24Å; C134-A142 PolarHBondContact N-O 3.28Å; C134-A142 PolarHBondContact SG-O 3.04Å |
| 135 | R | 95.1 | Very high | 95.8 | Very high | 102 Ų | 102 | 44 Ų | 44 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -59.2 | 152 | 167.6 | 70.3 | 175.1 | -175.9 | -89.9 | -1.9 | 109.9 | N68 L137 | N68-R135 PolarHBondContact O-NH1 3.49Å; R135-L137 HydrophobicContact CG-CD2 4.37Å; R135-L137 PolarHBondContact O-N 3.46Å; R135-L137 VanDerWaalsContact O-N 3.12Å |
| 136 | P | 96.7 | Very high | 95.9 | Very high | 94 Ų | 94 | 39.7 Ų | 39.7 | 61% | 0.61 | 22% | 0.219 | S | C | * | . | trans | -52.9 | 121.4 | 172.1 | -25.5 | 34.8 | 0 | 0 | 0 | 111.2 | ||||
| 137 | L | 94.3 | Very high | 96 | Very high | 22 Ų | 22 | 43 Ų | 43 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -96.4 | -20.9 | 177.7 | -60.1 | 178.2 | 0 | 0 | 0 | 112.3 | K62 V69 H115 R135 V141 | K62-L137 HydrophobicContact CB-CD1 4.19Å; K62-L137 HydrophobicContact CB-CD2 4.44Å; K62-L137 HydrophobicContact CD-CB 4.25Å; K62-L137 HydrophobicContact CG-CD2 4.31Å; K62-L137 PolarHBondContact NZ-O 3.5Å; V69-L137 HydrophobicContact CG1-CD2 4.3Å; V69-L137 HydrophobicContact CG2-CD2 3.83Å; H115-L137 HydrophobicContact CB-CD1 3.76Å; R135-L137 HydrophobicContact CG-CD2 4.37Å; R135-L137 PolarHBondContact O-N 3.46Å; R135-L137 VanDerWaalsContact O-N 3.12Å; L137-V141 HydrophobicContact CB-CG1 4.33Å; L137-V141 HydrophobicContact CD1-CG1 4.4Å; L137-V141 PolarHBondContact N-O 2.89Å |
| 138 | A | 95.7 | Very high | 96 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 41% | 0.413 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -160.1 | 179.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T140 V141 | A138-T140 PolarHBondContact O-N 3.01Å; A138-V141 HydrophobicContact CB-CB 4.1Å; A138-V141 HydrophobicContact CB-CG2 4.24Å; A138-V141 PolarHBondContact N-O 3.4Å; A138-V141 PolarHBondContact O-N 3.2Å |
| 139 | K | 95.8 | Very high | 95.9 | Very high | 216 Ų | 216 | 45.4 Ų | 45.4 | 94% | 0.939 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -52.3 | -39.9 | 179.9 | -174.5 | 175.5 | -179.3 | 176.8 | 0 | 113.5 | ||
| 140 | T | 96.3 | Very high | 95.6 | Very high | 92 Ų | 92 | 48.2 Ų | 48.2 | 56% | 0.564 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -114.1 | -4.6 | -175.2 | 56 | 0 | 0 | 0 | 0 | 113.7 | A138 | A138-T140 PolarHBondContact O-N 3.01Š|
| 141 | V | 97 | Very high | 95.1 | Very high | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 100.8 | -171.3 | -175 | 0 | 0 | 0 | 0 | 109.5 | T88 H115 L137 A138 | T88-V141 HydrophobicContact CG2-CG2 4Å; H115-V141 HydrophobicContact CB-CG1 3.81Å; L137-V141 HydrophobicContact CB-CG1 4.33Å; L137-V141 HydrophobicContact CD1-CG1 4.4Å; L137-V141 PolarHBondContact N-O 2.89Å; A138-V141 HydrophobicContact CB-CB 4.1Å; A138-V141 HydrophobicContact CB-CG2 4.24Å; A138-V141 PolarHBondContact N-O 3.4Å; A138-V141 PolarHBondContact O-N 3.2Å |
| 142 | A | 96.5 | Very high | 94.3 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 26% | 0.264 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 5.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C134 | C134-A142 PolarHBondContact N-O 3.28Å; C134-A142 PolarHBondContact SG-O 3.04Å |
| 143 | Y | 97.7 | Very high | 93.3 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 16% | 0.161 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149 | -178.9 | -71.2 | -89.7 | 0 | 0 | 0 | 110.5 | L76 V114 H115 V131 G132 E133 | L76-Y143 HydrophobicContact CD1-CD1 4.15Å; L76-Y143 HydrophobicContact CD1-CE1 3.35Å; L76-Y143 HydrophobicContact CD1-CE2 4.43Å; L76-Y143 HydrophobicContact CG-CE1 4Å; V114-Y143 WeakPolarHBondContact CG1-O 2.99Å; H115-Y143 PolarHBondContact N-O 2.93Å; V131-Y143 HydrophobicContact CG2-CD1 3.92Å; V131-Y143 HydrophobicContact CG2-CG 4.34Å; G132-Y143 CarbonylContact O-C 3.58Å; G132-Y143 VanDerWaalsContact O-CA 3.32Å; G132-Y143 WeakPolarHBondContact O-CA 3.48Å; E133-Y143 HydrophobicContact CB-CD1 3.94Å; E133-Y143 HydrophobicContact CB-CE1 3.46Å; E133-Y143 VanDerWaalsContact CB-CE1 3.46Å; E133-Y143 HydrophobicContact CG-CE1 4.27Å |
| 144 | N | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145.2 | 174 | -148.2 | -51.3 | 0 | 0 | 0 | 110.6 | K62 P64 I71 H115 S117 V131 G132 | K62-N144 PolarHBondContact O-ND2 2.86Å; P64-N144 HydrophobicContact CG-CB 4.49Å; I71-N144 HydrophobicContact CD1-CB 3.94Å; H115-N144 PolarHBondContact CD2-ND2 2.84Å; H115-N144 VanDerWaalsContact CD2-ND2 3.34Å; H115-N144 PolarHBondContact O-OD1 2.81Å; S117-N144 PolarHBondContact OG-OD1 2.89Å; S117-N144 VanDerWaalsContact OG-OD1 3.13Å; V131-N144 CarbonylContact C-O 3.48Å; V131-N144 WeakPolarHBondContact CA-O 3.15Å; V131-N144 WeakPolarHBondContact CB-O 3.35Å; G132-N144 PolarHBondContact N-O 3.24Å; G132-N144 PolarHBondContact O-N 3.29Å |
| 145 | V | 96.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 130 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | I89 V114 H115 L116 F120 V129 V131 V148 | I89-V145 HydrophobicContact CD1-CG2 3.73Å; I89-V145 HydrophobicContact CG1-CG2 4.32Å; V114-V145 HydrophobicContact CG1-CG2 3.72Å; H115-V145 PolarHBondContact O-N 2.76Å; L116-V145 HydrophobicContact CD1-CB 4.05Å; L116-V145 HydrophobicContact CD1-CG1 4.2Å; L116-V145 HydrophobicContact CD1-CG2 3.81Å; F120-V145 HydrophobicContact CD2-CB 4.25Å; F120-V145 HydrophobicContact CD2-CG1 3.9Å; F120-V145 HydrophobicContact CE2-CB 4.32Å; F120-V145 HydrophobicContact CE2-CG1 3.98Å; F120-V145 WeakPolarHBondContact CE2-O 3.43Å; F120-V145 HydrophobicContact CG-CG1 4.45Å; V129-V145 HydrophobicContact CB-CG1 4.34Å; V129-V145 HydrophobicContact CG1-CG1 4.35Å; V131-V145 HydrophobicContact CG1-CG2 4.22Å; V145-V148 HydrophobicContact CG1-CG2 3.9Å |
| 146 | I | 95 | Very high | 88.6 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -38.1 | 178.3 | -56 | 175.4 | 0 | 0 | 0 | 111.1 | I43 F47 F65 I71 F120 I130 | I43-I146 HydrophobicContact CD1-CG2 4.24Å; F47-I146 HydrophobicContact CB-CG2 3.7Å; F47-I146 HydrophobicContact CD1-CG2 3.7Å; F47-I146 HydrophobicContact CD2-CG2 3.59Å; F47-I146 HydrophobicContact CE1-CG2 4.2Å; F47-I146 HydrophobicContact CE2-CD1 4.47Å; F47-I146 HydrophobicContact CE2-CG2 4.11Å; F47-I146 HydrophobicContact CG-CG2 3.36Å; F47-I146 HydrophobicContact CZ-CG2 4.39Å; F65-I146 HydrophobicContact CZ-CG2 4.42Å; I71-I146 HydrophobicContact CB-CD1 4.39Å; I71-I146 HydrophobicContact CD1-CD1 4.31Å; I71-I146 HydrophobicContact CD1-CG1 4.39Å; I71-I146 HydrophobicContact CG1-CD1 3.94Å; I71-I146 HydrophobicContact CG1-CG1 4.28Å; I71-I146 HydrophobicContact CG2-CD1 3.72Å; F120-I146 WeakPolarHBondContact CZ-O 3.18Å; I130-I146 PolarHBondContact O-N 2.99Å |
| 147 | K | 94.5 | Very high | 87 | Confident | 103 Ų | 103 | 69.9 Ų | 69.9 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 140.4 | -179 | 178.9 | 176.1 | 175.9 | -174.9 | 0 | 109.8 | F47 I130 | F47-K147 HydrophobicContact CD1-CB 4.05Å; F47-K147 HydrophobicContact CD1-CD 4.22Å; F47-K147 HydrophobicContact CE1-CB 4.11Å; F47-K147 HydrophobicContact CE1-CD 4.22Å; I130-K147 HydrophobicContact CB-CB 4.18Å; I130-K147 HydrophobicContact CD1-CB 4.49Å; I130-K147 HydrophobicContact CD1-CD 4.21Å; I130-K147 PolarHBondContact N-O 3.21Å; I130-K147 PolarHBondContact O-N 2.94Å |
| 148 | V | 94.2 | Very high | 85.6 | Confident | 27 Ų | 27 | 76.7 Ų | 76.7 | 16% | 0.164 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.9 | 175.2 | -178 | 0 | 0 | 0 | 0 | 107.7 | F120 V123 D127 V129 V145 | F120-V148 HydrophobicContact CB-CG2 4.06Å; F120-V148 HydrophobicContact CD1-CG2 3.67Å; F120-V148 HydrophobicContact CE1-CG2 4.28Å; F120-V148 HydrophobicContact CG-CG2 3.87Å; V123-V148 HydrophobicContact CB-CG1 4.5Å; V123-V148 HydrophobicContact CG1-CG1 3.94Å; V123-V148 HydrophobicContact CG1-CG2 4.39Å; V123-V148 HydrophobicContact CG2-CB 4.41Å; V123-V148 HydrophobicContact CG2-CG1 4.06Å; V123-V148 HydrophobicContact CG2-CG2 3.58Å; D127-V148 HydrophobicContact CB-CG1 4.28Å; V129-V148 HydrophobicContact CG1-CG1 4.33Å; V129-V148 HydrophobicContact CG1-CG2 4.14Å; V145-V148 HydrophobicContact CG1-CG2 3.9Å |
| 149 | I | 93.3 | Very high | 84.2 | Confident | 75 Ų | 75 | 80.9 Ų | 80.9 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 113.8 | 173.3 | -58.8 | 170.9 | 0 | 0 | 0 | 106.1 | T128 I130 | T128-I149 PolarHBondContact N-O 2.9Å; T128-I149 CarbonylContact O-C 3.59Å; T128-I149 WeakPolarHBondContact O-CA 3.42Å; T128-I149 WeakPolarHBondContact O-CB 3.33Å; T128-I149 PolarHBondContact O-N 2.9Å; I130-I149 HydrophobicContact CD1-CD1 4.09Å; I130-I149 HydrophobicContact CG1-CD1 4.25Å |
| 150 | K | 90.5 | Very high | 82.1 | Confident | 58 Ų | 58 | 79 Ų | 79 | 25% | 0.252 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 137.2 | 179.6 | -68.4 | -68.8 | 167.6 | -157.6 | 0 | 111.4 | D122 D127 | D122-K150 PolarHBondContact O-NZ 3.49Å; D122-K150 WeakPolarHBondContact OD2-CE 2.9Å; D122-K150 IonicContact OD2-NZ 2.91Å; D122-K150 PolarHBondContact OD2-NZ 3.1Å; D127-K150 WeakPolarHBondContact OD1-CA 3.26Å; D127-K150 IonicContact OD2-NZ 2.84Å; D127-K150 PolarHBondContact OD2-NZ 3.45Å |
| 151 | A | 85.7 | Confident | 80 | Confident | 26 Ų | 26 | 85.8 Ų | 85.8 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 143.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D127 G153 S154 | D127-A151 PolarHBondContact OD1-N 3.07Å; A151-G153 PolarHBondContact O-N 3.46Å; A151-S154 PolarHBondContact O-N 3.15Å; A151-S154 PolarHBondContact O-OG 3.08Å |
| 152 | P | 80.5 | Confident | 79.2 | Confident | 137 Ų | 137 | 89.8 Ų | 89.8 | 89% | 0.89 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 130.8 | 174.1 | 25.1 | -32.9 | 0 | 0 | 0 | 109.8 | ||
| 153 | G | 74.8 | Confident | 78.3 | Confident | 68 Ų | 68 | 92.8 Ų | 92.8 | 70% | 0.701 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.8 | -22.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | A151 K155 | A151-G153 PolarHBondContact O-N 3.46Å; G153-K155 PolarHBondContact O-N 3.34Å |
| 154 | S | 65.7 | Low | 77.2 | Confident | 44 Ų | 44 | 95.7 Ų | 95.7 | 31% | 0.308 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -72.2 | -23.2 | -177.3 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | A151 K156 | A151-S154 PolarHBondContact O-N 3.15Å; A151-S154 PolarHBondContact O-OG 3.08Å; S154-K156 PolarHBondContact O-N 2.73Å |
| 155 | K | 62.7 | Low | 76.1 | Confident | 195 Ų | 195 | 101.4 Ų | 101.4 | 85% | 0.848 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -62 | -15.7 | -178 | -72.3 | -175.3 | -179.3 | 177.8 | 0 | 114.1 | G153 | G153-K155 PolarHBondContact O-N 3.34Š|
| 156 | K | 61.7 | Low | 74.8 | Confident | 200 Ų | 200 | 107.7 Ų | 107.7 | 87% | 0.87 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -128.8 | 0.2 | -173.9 | -65.6 | -171.4 | 176.4 | -176.5 | 0 | 114.6 | S154 F158 | S154-K156 PolarHBondContact O-N 2.73Å; K156-F158 PolarHBondContact O-N 3.3Å |
| 157 | A | 62.3 | Low | 73.4 | Confident | 72 Ų | 72 | 114.6 Ų | 114.6 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | trans | -75.9 | 110.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | E159 | A157-E159 PolarHBondContact O-N 3.02Š| ||
| 158 | F | 64.5 | Low | 71.9 | Confident | 165 Ų | 165 | 115.4 Ų | 115.4 | 72% | 0.724 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -65 | 120.2 | 165.9 | 180 | -95 | 0 | 0 | 0 | 108.3 | K156 K160 | K156-F158 PolarHBondContact O-N 3.3Å; F158-K160 PolarHBondContact O-N 3.4Å |
| 159 | E | 65.8 | Low | 70.2 | Confident | 137 Ų | 137 | 122.2 Ų | 122.2 | 64% | 0.64 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 116.3 | 172.4 | -75.6 | -179.3 | 142 | 0 | 0 | 108.6 | K124 A157 F161 | K124-E159 WeakPolarHBondContact CE-OE1 3.25Å; K124-E159 IonicContact NZ-OE1 2.97Å; K124-E159 PolarHBondContact NZ-OE1 3.5Å; K124-E159 IonicContact NZ-OE2 3.88Å; K124-E159 PolarHBondContact NZ-OE2 3.33Å; A157-E159 PolarHBondContact O-N 3.02Å; E159-F161 PolarHBondContact O-N 3.28Å |
| 160 | K | 51.6 | Low | 68.3 | Low | 177 Ų | 177 | 126.2 Ų | 126.2 | 77% | 0.77 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 116 | 178.4 | -161.1 | 176.1 | -174.6 | -175.8 | 0 | 108.2 | F158 | F158-K160 PolarHBondContact O-N 3.4Š|
| 161 | F | 53.9 | Low | 66.3 | Low | 235 Ų | 235 | 132.4 Ų | 132.4 | 100% | 1.031 | 69% | 0.69 | S | S | * | * | trans | 22.3 | 0 | 166.2 | -51.8 | -75.7 | 0 | 0 | 0 | 118.1 | E159 | E159-F161 PolarHBondContact O-N 3.28Š|
Retrieved 161 of 161 residues in 42.2 ms
(Link to these results)