| 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 | L | 38.4 | Very low | 33.8 | Very low | 233 Ų | 233 | 145.6 Ų | 145.6 | 100% | 1.22 | 84% | 0.84 | S | S | * | * | 0 | 98.5 | 0 | -79.9 | 156.8 | 0 | 0 | 0 | 107.8 | |||||
| 2 | S | 31.5 | Very low | 33.9 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 71% | 0.713 | 83% | 0.833 | S | S | * | * | trans | -58 | 145.2 | 173.6 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 3 | F | 27.8 | Very low | 34.2 | Very low | 201 Ų | 201 | 147.2 Ų | 147.2 | 88% | 0.882 | 83% | 0.833 | S | S | * | * | -170 | 109.5 | 127.4 | -101.2 | -75.4 | 0 | 0 | 0 | 108.8 | |||||
| 4 | Q | 34 | Very low | 34.5 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | -82 | 158.1 | 146.9 | -82.8 | -169.8 | -36.5 | 0 | 0 | 107.7 | ||||
| 5 | P | 38.6 | Very low | 35.2 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 74% | 0.74 | 83% | 0.829 | S | S | * | * | -143.4 | 137.1 | 111.4 | 33.8 | -17.1 | 0 | 0 | 0 | 115.4 | |||||
| 6 | S | 31.5 | Very low | 35.9 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 58.7 | 118.6 | 133.5 | 62.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 7 | C | 39.2 | Very low | 37 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 92% | 0.919 | 82% | 0.817 | S | S | * | * | trans | -39 | 129.3 | 151.2 | -171.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 8 | G | 31.8 | Very low | 38.4 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -141.4 | 85.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 9 | R | 34.6 | Very low | 40.1 | Very low | 229 Ų | 229 | 145.3 Ų | 145.3 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 18.8 | 123.9 | 151.4 | -63.4 | 176.6 | -167.5 | -164.4 | 1.3 | 118.4 | C11 | R9-C11 PolarHBondContact O-N 2.91Š| ||
| 10 | S | 32.8 | Very low | 41.9 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -27.1 | 119.7 | 145.4 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | D12 | S10-D12 PolarHBondContact O-N 3.05Š| ||
| 11 | C | 31.6 | Very low | 43.9 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 86% | 0.858 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 81.7 | 159.5 | -82.1 | 0 | 0 | 0 | 0 | 107.7 | R9 M13 | R9-C11 PolarHBondContact O-N 2.91Å; C11-M13 PolarHBondContact O-N 2.82Å; C11-M13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | D | 35.1 | Very low | 46 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | -65.9 | 102.9 | 163.2 | -156.7 | 2.5 | 0 | 0 | 0 | 106.2 | S10 S14 | S10-D12 PolarHBondContact O-N 3.05Å; D12-S14 VanDerWaalsContact C-N 3.33Å; D12-S14 PolarHBondContact O-N 2.97Å | ||
| 13 | M | 37.6 | Very low | 48.5 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 84% | 0.837 | 73% | 0.732 | S | S | * | * | trans | -63 | 101.2 | 171.3 | -75.2 | -129.5 | -61.5 | 0 | 0 | 107.3 | C11 K15 | C11-M13 PolarHBondContact O-N 2.82Å; C11-M13 VanDerWaalsContact O-N 3.14Å; M13-K15 PolarHBondContact O-N 2.85Å | ||
| 14 | S | 38.2 | Very low | 51.2 | Low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -48.1 | 105.5 | 169.6 | 42.5 | 0 | 0 | 0 | 0 | 109.2 | D12 T16 | D12-S14 VanDerWaalsContact C-N 3.33Å; D12-S14 PolarHBondContact O-N 2.97Å; S14-T16 VanDerWaalsContact C-N 3.27Å; S14-T16 PolarHBondContact O-N 3.47Å | ||
| 15 | K | 45.8 | Very low | 53.7 | Low | 202 Ų | 202 | 130.3 Ų | 130.3 | 88% | 0.878 | 71% | 0.712 | S | S | * | * | trans | -63.3 | 94.1 | 164.8 | -75.6 | 179.5 | 179 | 172.9 | 0 | 107.5 | M13 K17 | M13-K15 PolarHBondContact O-N 2.85Å; K15-K17 PolarHBondContact O-N 2.9Å | ||
| 16 | T | 45.4 | Very low | 56.1 | Low | 89 Ų | 89 | 127.3 Ų | 127.3 | 55% | 0.546 | 69% | 0.691 | S | S | . | * | trans | -55.9 | 109.2 | 167.2 | 4.5 | 0 | 0 | 0 | 0 | 107.7 | S14 N18 E19 | S14-T16 VanDerWaalsContact C-N 3.27Å; S14-T16 PolarHBondContact O-N 3.47Å; T16-N18 PolarHBondContact O-N 2.83Å; T16-E19 PolarHBondContact OG1-OE1 3.4Å | ||
| 17 | K | 55.5 | Low | 58.7 | Low | 206 Ų | 206 | 127.9 Ų | 127.9 | 90% | 0.896 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 12.7 | -171.9 | -103.8 | -178.5 | 176.5 | 178.7 | 0 | 115.7 | K15 | K15-K17 PolarHBondContact O-N 2.9Š|
| 18 | N | 61 | Low | 60.9 | Low | 137 Ų | 137 | 128 Ų | 128 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.6 | 29.3 | -171.9 | -92.4 | -11.4 | 0 | 0 | 0 | 114.6 | T16 | T16-N18 PolarHBondContact O-N 2.83Š|
| 19 | E | 71.1 | Confident | 63.4 | Low | 110 Ų | 110 | 125.5 Ų | 125.5 | 51% | 0.514 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -83.5 | 116.4 | 170.6 | -78.5 | 170.7 | -159 | 0 | 0 | 111.2 | T16 K21 N33 V35 | T16-E19 PolarHBondContact OG1-OE1 3.4Å; E19-K21 PolarHBondContact O-N 2.84Å; E19-N33 CarbonylContact C-O 3.59Å; E19-N33 WeakPolarHBondContact CA-O 3.36Å; E19-V35 HydrophobicContact CB-CG2 4.14Å; E19-V35 HydrophobicContact CG-CG2 4.01Å; E19-V35 WeakPolarHBondContact OE2-CG2 3.24Å |
| 20 | L | 76.5 | Confident | 65.7 | Low | 105 Ų | 105 | 123 Ų | 123 | 55% | 0.55 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.8 | 116.6 | 175.9 | -67.4 | 167.6 | 0 | 0 | 0 | 109.1 | A22 N33 S34 V35 | L20-A22 PolarHBondContact O-N 3.06Å; L20-N33 PolarHBondContact N-O 3.32Å; L20-S34 CarbonylContact O-C 3.58Å; L20-S34 WeakPolarHBondContact O-CA 3.47Å; L20-V35 PolarHBondContact O-N 3.49Å |
| 21 | K | 83.3 | Confident | 68.4 | Low | 198 Ų | 198 | 122.6 Ų | 122.6 | 86% | 0.861 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.2 | 128.9 | 169.1 | -73.3 | -174.1 | 178.6 | -178.2 | 0 | 109.5 | E19 V35 | E19-K21 PolarHBondContact O-N 2.84Å; K21-V35 WeakPolarHBondContact CA-O 3.5Å |
| 22 | A | 83.8 | Confident | 70.9 | Confident | 8 Ų | 8 | 125.5 Ų | 125.5 | 7% | 0.066 | 63% | 0.629 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.8 | 145.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L20 K28 A29 V35 V36 | L20-A22 PolarHBondContact O-N 3.06Å; A22-K28 HydrophobicContact CB-CB 3.87Å; A22-A29 HydrophobicContact CB-CB 4.11Å; A22-V35 PolarHBondContact N-O 3.4Å; A22-V36 WeakPolarHBondContact O-CA 3.39Å |
| 23 | D | 82.8 | Confident | 73.3 | Confident | 131 Ų | 131 | 124 Ų | 124 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | trans | -74.5 | 146 | 166.8 | -64.9 | -41 | 0 | 0 | 0 | 109.6 | T26 | D23-T26 HydrophobicContact CB-CG2 3.96Å; D23-T26 WeakPolarHBondContact O-CG2 3.48Å; D23-T26 PolarHBondContact O-N 2.86Å; D23-T26 PolarHBondContact O-OG1 2.71Å | ||
| 24 | G | 84 | Confident | 75.5 | Confident | 35 Ų | 35 | 117.1 Ų | 117.1 | 36% | 0.361 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.4 | 150 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T26 | G24-T26 PolarHBondContact O-N 3.21Š|
| 25 | F | 87.8 | Confident | 77.9 | Confident | 212 Ų | 212 | 115.3 Ų | 115.3 | 93% | 0.93 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.4 | 24.4 | 178.8 | -44.2 | -78.3 | 0 | 0 | 0 | 114.8 | ||
| 26 | T | 88 | Confident | 79.9 | Confident | 51 Ų | 51 | 109 Ų | 109 | 31% | 0.313 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -109.3 | 157.7 | 173.6 | 67 | 0 | 0 | 0 | 0 | 111.9 | D23 G24 K28 A29 F30 | D23-T26 HydrophobicContact CB-CG2 3.96Å; D23-T26 WeakPolarHBondContact O-CG2 3.48Å; D23-T26 PolarHBondContact O-N 2.86Å; D23-T26 PolarHBondContact O-OG1 2.71Å; G24-T26 PolarHBondContact O-N 3.21Å; T26-K28 PolarHBondContact O-N 3.2Å; T26-A29 VanDerWaalsContact O-CB 3.24Å; T26-A29 WeakPolarHBondContact O-CB 2.97Å; T26-A29 PolarHBondContact O-N 2.95Å; T26-A29 PolarHBondContact OG1-N 3.42Å; T26-F30 VanDerWaalsContact O-CD2 3.23Å; T26-F30 WeakPolarHBondContact O-CD2 3.4Å |
| 27 | V | 86.4 | Confident | 81.7 | Confident | 117 Ų | 117 | 107.2 Ų | 107.2 | 71% | 0.709 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -56.9 | -34.6 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | A29 F30 M31 | V27-A29 VanDerWaalsContact C-N 3.25Å; V27-A29 PolarHBondContact O-N 3.39Å; V27-F30 PolarHBondContact O-N 3.16Å; V27-F30 VanDerWaalsContact O-N 3.16Å; V27-M31 HydrophobicContact CG1-CE 4.43Å |
| 28 | K | 84.9 | Confident | 83.1 | Confident | 137 Ų | 137 | 101.9 Ų | 101.9 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -64.2 | -27.6 | 176.5 | -69.5 | -177.6 | -179.8 | 177.6 | 0 | 113 | A22 T26 F30 M31 S34 | A22-K28 HydrophobicContact CB-CB 3.87Å; T26-K28 PolarHBondContact O-N 3.2Å; K28-F30 PolarHBondContact O-N 3.34Å; K28-M31 HydrophobicContact CB-SD 4.49Å; K28-M31 HydrophobicContact CG-SD 4.22Å; K28-M31 WeakPolarHBondContact O-CB 3.14Å; K28-M31 PolarHBondContact O-N 2.92Å; K28-S34 WeakPolarHBondContact O-CB 3.23Å; K28-S34 PolarHBondContact O-OG 3.26Å |
| 29 | A | 84.6 | Confident | 84.1 | Confident | 22 Ų | 22 | 100.9 Ų | 100.9 | 18% | 0.182 | 55% | 0.547 | C | S | . | . | G | 310 helix | trans | -69.7 | -19.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A22 T26 V27 S34 V36 | A22-A29 HydrophobicContact CB-CB 4.11Å; T26-A29 VanDerWaalsContact O-CB 3.24Å; T26-A29 WeakPolarHBondContact O-CB 2.97Å; T26-A29 PolarHBondContact O-N 2.95Å; T26-A29 PolarHBondContact OG1-N 3.42Å; V27-A29 VanDerWaalsContact C-N 3.25Å; V27-A29 PolarHBondContact O-N 3.39Å; A29-S34 PolarHBondContact O-OG 3.14Å; A29-V36 HydrophobicContact CB-CG2 3.44Å; A29-V36 VanDerWaalsContact CB-CG2 3.44Å |
| 30 | F | 84.4 | Confident | 84.8 | Confident | 177 Ų | 177 | 100.9 Ų | 100.9 | 78% | 0.776 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -98.4 | 2.7 | 177.9 | -60.6 | -80.2 | 0 | 0 | 0 | 112.7 | T26 V27 K28 | T26-F30 VanDerWaalsContact O-CD2 3.23Å; T26-F30 WeakPolarHBondContact O-CD2 3.4Å; V27-F30 PolarHBondContact O-N 3.16Å; V27-F30 VanDerWaalsContact O-N 3.16Å; K28-F30 PolarHBondContact O-N 3.34Å |
| 31 | M | 89.5 | Confident | 85.3 | Confident | 95 Ų | 95 | 101.8 Ų | 101.8 | 47% | 0.468 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -80 | 150.2 | -179.2 | -71 | -177.9 | 166.3 | 0 | 0 | 111.6 | V27 K28 N33 S34 | V27-M31 HydrophobicContact CG1-CE 4.43Å; K28-M31 HydrophobicContact CB-SD 4.49Å; K28-M31 HydrophobicContact CG-SD 4.22Å; K28-M31 WeakPolarHBondContact O-CB 3.14Å; K28-M31 PolarHBondContact O-N 2.92Å; M31-N33 PolarHBondContact O-N 2.96Å; M31-S34 PolarHBondContact O-N 3.2Å; M31-S34 PolarHBondContact O-OG 3.25Å |
| 32 | K | 82.6 | Confident | 85.4 | Confident | 189 Ų | 189 | 98.1 Ų | 98.1 | 82% | 0.822 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 132.9 | 172.2 | -148.7 | 172.7 | -174.6 | 178.3 | 0 | 108.7 | ||
| 33 | N | 85.3 | Confident | 85.5 | Confident | 109 Ų | 109 | 98.7 Ų | 98.7 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | 22.8 | -174.6 | -44.9 | -33.9 | 0 | 0 | 0 | 115.3 | E19 L20 M31 | E19-N33 CarbonylContact C-O 3.59Å; E19-N33 WeakPolarHBondContact CA-O 3.36Å; L20-N33 PolarHBondContact N-O 3.32Å; M31-N33 PolarHBondContact O-N 2.96Å |
| 34 | S | 85.7 | Confident | 85.7 | Confident | 25 Ų | 25 | 95.1 Ų | 95.1 | 18% | 0.175 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.2 | 137.5 | 168.2 | 70.7 | 0 | 0 | 0 | 0 | 112.5 | L20 K28 A29 M31 | L20-S34 CarbonylContact O-C 3.58Å; L20-S34 WeakPolarHBondContact O-CA 3.47Å; K28-S34 WeakPolarHBondContact O-CB 3.23Å; K28-S34 PolarHBondContact O-OG 3.26Å; A29-S34 PolarHBondContact O-OG 3.14Å; M31-S34 PolarHBondContact O-N 3.2Å; M31-S34 PolarHBondContact O-OG 3.25Å |
| 35 | V | 87.8 | Confident | 85.8 | Confident | 67 Ų | 67 | 98.5 Ų | 98.5 | 41% | 0.406 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.5 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | E19 L20 K21 A22 | E19-V35 HydrophobicContact CB-CG2 4.14Å; E19-V35 HydrophobicContact CG-CG2 4.01Å; E19-V35 WeakPolarHBondContact OE2-CG2 3.24Å; L20-V35 PolarHBondContact O-N 3.49Å; K21-V35 WeakPolarHBondContact CA-O 3.5Å; A22-V35 PolarHBondContact N-O 3.4Å |
| 36 | V | 88.3 | Confident | 85.8 | Confident | 68 Ų | 68 | 94.8 Ų | 94.8 | 41% | 0.412 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.3 | 174.6 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | A22 A29 | A22-V36 WeakPolarHBondContact O-CA 3.39Å; A29-V36 HydrophobicContact CB-CG2 3.44Å; A29-V36 VanDerWaalsContact CB-CG2 3.44Å |
| 37 | G | 83.6 | Confident | 86 | Confident | 52 Ų | 52 | 99 Ų | 99 | 54% | 0.536 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 149.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 38 | A | 83.2 | Confident | 86.1 | Confident | 95 Ų | 95 | 99.9 Ų | 99.9 | 79% | 0.785 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 144.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 39 | P | 83.4 | Confident | 86.2 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 75% | 0.747 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 148.6 | 176.5 | 24.6 | -33.1 | 0 | 0 | 0 | 110.8 | ||
| 40 | P | 86 | Confident | 86.2 | Confident | 111 Ų | 111 | 101.2 Ų | 101.2 | 72% | 0.721 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 141.7 | 177.7 | -24.5 | 33.5 | 0 | 0 | 0 | 111.8 | T42 | P40-T42 PolarHBondContact O-N 3.24Š|
| 41 | P | 85.8 | Confident | 86.2 | Confident | 123 Ų | 123 | 101.5 Ų | 101.5 | 80% | 0.799 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -63 | 125.1 | 176.8 | 25.7 | -32.8 | 0 | 0 | 0 | 109.9 | G43 | P41-G43 PolarHBondContact O-N 3.23Š|
| 42 | T | 85.3 | Confident | 85.9 | Confident | 121 Ų | 121 | 101.7 Ų | 101.7 | 74% | 0.742 | 58% | 0.579 | S | S | * | * | trans | -72.2 | -13.8 | -174.5 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | P40 V44 | P40-T42 PolarHBondContact O-N 3.24Å; T42-V44 PolarHBondContact O-N 3.07Å; T42-V44 WeakPolarHBondContact OG1-CG2 3.34Å | ||
| 43 | G | 85.6 | Confident | 86.4 | Confident | 20 Ų | 20 | 93.2 Ų | 93.2 | 21% | 0.206 | 54% | 0.543 | C | S | . | . | trans | 60.4 | 17.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P41 F45 Q46 | P41-G43 PolarHBondContact O-N 3.23Å; G43-F45 PolarHBondContact O-N 2.96Å; G43-F45 VanDerWaalsContact O-N 3.07Å; G43-Q46 WeakPolarHBondContact O-CB 3.38Å; G43-Q46 PolarHBondContact O-N 3.04Å | ||
| 44 | V | 86.6 | Confident | 86.8 | Confident | 56 Ų | 56 | 91.3 Ų | 91.3 | 34% | 0.339 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26 | -168.6 | 175.5 | 0 | 0 | 0 | 0 | 112.5 | T42 K143 L182 | T42-V44 PolarHBondContact O-N 3.07Å; T42-V44 WeakPolarHBondContact OG1-CG2 3.34Å; V44-K143 WeakPolarHBondContact O-CD 3.43Å; V44-K143 WeakPolarHBondContact O-CE 3.36Å; V44-K143 PolarHBondContact O-NZ 3.03Å; V44-L182 HydrophobicContact CG1-CD1 3.53Å; V44-L182 HydrophobicContact CG1-CD2 3.67Å; V44-L182 HydrophobicContact CG1-CG 4.26Å |
| 45 | F | 86.8 | Confident | 87.4 | Confident | 107 Ų | 107 | 90.1 Ų | 90.1 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -1.9 | 177.3 | -63.6 | -70.8 | 0 | 0 | 0 | 114.9 | G43 L182 F183 K186 | G43-F45 PolarHBondContact O-N 2.96Å; G43-F45 VanDerWaalsContact O-N 3.07Å; F45-L182 HydrophobicContact CD1-CD1 4.09Å; F45-L182 HydrophobicContact CD1-CG 4.12Å; F45-L182 HydrophobicContact CE1-CD1 3.36Å; F45-L182 HydrophobicContact CE1-CD2 4.48Å; F45-L182 HydrophobicContact CE1-CG 3.66Å; F45-L182 WeakPolarHBondContact CE1-O 3.33Å; F45-L182 HydrophobicContact CZ-CD1 3.61Å; F45-L182 HydrophobicContact CZ-CG 4.41Å; F45-F183 HydrophobicContact CD1-CE1 4.33Å; F45-F183 HydrophobicContact CD1-CZ 4.29Å; F45-K186 VanDerWaalsContact CD1-CE 3.42Å |
| 46 | Q | 88.9 | Confident | 87.8 | Confident | 133 Ų | 133 | 89.7 Ų | 89.7 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -69.2 | 138.2 | -177.6 | -66.8 | 176.8 | -4.8 | 0 | 0 | 110.6 | G43 K143 | G43-Q46 WeakPolarHBondContact O-CB 3.38Å; G43-Q46 PolarHBondContact O-N 3.04Å; Q46-K143 WeakPolarHBondContact O-CD 3.47Å |
| 47 | K | 91.8 | Very high | 88.1 | Confident | 141 Ų | 141 | 88.8 Ų | 88.8 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | trans | -57.6 | 141.4 | 174.6 | -68.5 | -176.5 | -178.2 | 179.3 | 0 | 109.7 | ||||
| 48 | R | 88.9 | Confident | 88.7 | Confident | 134 Ų | 134 | 89 Ų | 89 | 51% | 0.506 | 50% | 0.498 | S | S | . | . | trans | -116.7 | 109.9 | 176.8 | -65 | -179.8 | 177.8 | 175.1 | -4.5 | 108 | T142 K143 | R48-T142 PolarHBondContact N-O 2.85Å; R48-T142 WeakPolarHBondContact O-CA 3.46Å; R48-K143 VanDerWaalsContact CZ-NZ 3.27Å | ||
| 49 | P | 85.4 | Confident | 89.3 | Confident | 132 Ų | 132 | 87.8 Ų | 87.8 | 86% | 0.857 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -63 | 140.1 | 178.1 | 26.3 | -32.7 | 0 | 0 | 0 | 110.1 | ||
| 50 | S | 84.4 | Confident | 89.9 | Confident | 55 Ų | 55 | 87.8 Ų | 87.8 | 39% | 0.385 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 147.7 | 171.6 | 49.7 | 0 | 0 | 0 | 0 | 110 | C100 | S50-C100 PolarHBondContact OG-O 3.4Š|
| 51 | K | 84.8 | Confident | 90.4 | Very high | 184 Ų | 184 | 90 Ų | 90 | 80% | 0.8 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 158.4 | 163.4 | -65.9 | -176.8 | -179.5 | -178.1 | 0 | 109 | T53 | K51-T53 PolarHBondContact O-N 2.63Š|
| 52 | P | 84.1 | Confident | 90.7 | Very high | 98 Ų | 98 | 94.3 Ų | 94.3 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -47.7 | 127.8 | 170.5 | -27.4 | 35.2 | 0 | 0 | 0 | 110.6 | ||
| 53 | T | 93.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 93.1 Ų | 93.1 | 7% | 0.074 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 155.1 | -174.8 | 66.2 | 0 | 0 | 0 | 0 | 110.5 | K51 F55 R56 V57 H97 C100 E101 | K51-T53 PolarHBondContact O-N 2.63Å; T53-F55 PolarHBondContact O-N 3.21Å; T53-F55 WeakPolarHBondContact OG1-CB 3.31Å; T53-R56 PolarHBondContact O-N 3.24Å; T53-R56 PolarHBondContact OG1-N 3.28Å; T53-R56 VanDerWaalsContact OG1-N 3.08Å; T53-V57 PolarHBondContact O-N 3.25Å; T53-H97 WeakPolarHBondContact CG2-O 3.4Å; T53-C100 HydrophobicContact CG2-CB 3.92Å; T53-E101 VanDerWaalsContact CB-OE1 3.3Å; T53-E101 WeakPolarHBondContact CB-OE1 3.49Å; T53-E101 HydrophobicContact CG2-CG 4.16Å; T53-E101 WeakPolarHBondContact CG2-OE1 3.33Å; T53-E101 PolarHBondContact N-OE1 3.47Å; T53-E101 PolarHBondContact OG1-OE1 3.14Å |
| 54 | T | 93.8 | Very high | 91.6 | Very high | 68 Ų | 68 | 92.4 Ų | 92.4 | 42% | 0.417 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -53.9 | -37.6 | 168.7 | -49.3 | 0 | 0 | 0 | 0 | 110.7 | R56 V57 Y58 L94 | T54-R56 PolarHBondContact O-N 3.16Å; T54-V57 PolarHBondContact O-N 2.66Å; T54-Y58 HydrophobicContact CG2-CD2 3.79Å; T54-Y58 HydrophobicContact CG2-CE2 3.65Å; T54-Y58 VanDerWaalsContact O-CD2 3.25Å; T54-Y58 WeakPolarHBondContact O-CD2 3.39Å; T54-Y58 PolarHBondContact O-N 3.19Å; T54-L94 HydrophobicContact CG2-CD1 3.93Å |
| 55 | F | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 90.1 Ų | 90.1 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -54.9 | -48.5 | 174.2 | 174.9 | -97.2 | 0 | 0 | 0 | 112.7 | T53 V57 Y58 Y59 L64 I66 L94 L95 E101 Y106 L109 A110 | T53-F55 PolarHBondContact O-N 3.21Å; T53-F55 WeakPolarHBondContact OG1-CB 3.31Å; F55-V57 PolarHBondContact O-N 3.46Å; F55-Y58 PolarHBondContact O-N 3.43Å; F55-Y59 PolarHBondContact O-N 3.29Å; F55-L64 HydrophobicContact CD2-CD1 3.94Å; F55-L64 HydrophobicContact CD2-CD2 4.36Å; F55-L64 HydrophobicContact CE2-CD1 3.38Å; F55-L64 HydrophobicContact CE2-CD2 4.32Å; F55-L64 HydrophobicContact CZ-CD1 3.75Å; F55-I66 HydrophobicContact CE2-CD1 4.34Å; F55-I66 HydrophobicContact CZ-CD1 4.49Å; F55-L94 WeakPolarHBondContact CB-O 3.36Å; F55-L95 HydrophobicContact CD2-CD2 4.16Å; F55-L95 HydrophobicContact CE2-CD2 3.58Å; F55-E101 HydrophobicContact CD1-CG 4.21Å; F55-Y106 WeakPolarHBondContact CE1-O 3.39Å; F55-L109 HydrophobicContact CZ-CB 3.87Å; F55-A110 HydrophobicContact CD1-CB 4.45Å; F55-A110 HydrophobicContact CE1-CB 4.08Å; F55-A110 HydrophobicContact CE2-CB 4.49Å; F55-A110 HydrophobicContact CZ-CB 4.1Å |
| 56 | R | 96 | Very high | 92.5 | Very high | 58 Ų | 58 | 85.2 Ų | 85.2 | 22% | 0.219 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 178 | -176.7 | -178.5 | -67.5 | -162 | -4.9 | 111.9 | T53 T54 Y58 Y59 E60 E101 Y106 | T53-R56 PolarHBondContact O-N 3.24Å; T53-R56 PolarHBondContact OG1-N 3.28Å; T53-R56 VanDerWaalsContact OG1-N 3.08Å; T54-R56 PolarHBondContact O-N 3.16Å; R56-Y58 VanDerWaalsContact C-N 3.32Å; R56-Y58 PolarHBondContact O-N 3.41Å; R56-Y59 WeakPolarHBondContact O-CB 3.36Å; R56-Y59 PolarHBondContact O-N 3.09Å; R56-E60 HydrophobicContact CG-CG 4.42Å; R56-E60 WeakPolarHBondContact CG-OE1 3.43Å; R56-E60 WeakPolarHBondContact O-CG 3.29Å; R56-E60 PolarHBondContact O-N 3.29Å; R56-E101 WeakPolarHBondContact CB-OE1 3.36Å; R56-E101 IonicContact CZ-OE2 3.21Å; R56-E101 IonicContact NE-OE1 3.4Å; R56-E101 PolarHBondContact NE-OE1 2.8Å; R56-E101 IonicContact NE-OE2 3.04Å; R56-E101 PolarHBondContact NE-OE2 3.22Å; R56-E101 IonicContact NH2-OE2 2.63Å; R56-E101 PolarHBondContact NH2-OE2 3.19Å; R56-Y106 HydrophobicContact CB-CD1 4.45Å; R56-Y106 HydrophobicContact CG-CD1 4.01Å; R56-Y106 HydrophobicContact CG-CE1 3.75Å; R56-Y106 HydrophobicContact CG-CE2 4.39Å; R56-Y106 HydrophobicContact CG-CG 4.43Å |
| 57 | V | 95.8 | Very high | 92.7 | Very high | 49 Ų | 49 | 80.9 Ų | 80.9 | 30% | 0.297 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 178 | 176 | 0 | 0 | 0 | 0 | 111.3 | T53 T54 F55 E60 R61 | T53-V57 PolarHBondContact O-N 3.25Å; T54-V57 PolarHBondContact O-N 2.66Å; F55-V57 PolarHBondContact O-N 3.46Å; V57-E60 PolarHBondContact O-N 3.48Å; V57-R61 VanDerWaalsContact O-CG 3.31Å; V57-R61 WeakPolarHBondContact O-CG 3.39Å; V57-R61 PolarHBondContact O-N 3.2Å; V57-R61 VanDerWaalsContact O-N 3.08Å |
| 58 | Y | 96.4 | Very high | 92.8 | Very high | 58 Ų | 58 | 75.1 Ų | 75.1 | 23% | 0.227 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 178.3 | -87.1 | -103.4 | 0 | 0 | 0 | 112.8 | T54 F55 R56 R61 R62 E63 Y90 L94 | T54-Y58 HydrophobicContact CG2-CD2 3.79Å; T54-Y58 HydrophobicContact CG2-CE2 3.65Å; T54-Y58 VanDerWaalsContact O-CD2 3.25Å; T54-Y58 WeakPolarHBondContact O-CD2 3.39Å; T54-Y58 PolarHBondContact O-N 3.19Å; F55-Y58 PolarHBondContact O-N 3.43Å; R56-Y58 VanDerWaalsContact C-N 3.32Å; R56-Y58 PolarHBondContact O-N 3.41Å; Y58-R61 PolarHBondContact O-N 2.95Å; Y58-R62 PolarHBondContact O-N 3.39Å; Y58-E63 HydrophobicContact CD1-CB 3.82Å; Y58-E63 VanDerWaalsContact CD1-OE2 3.31Å; Y58-E63 WeakPolarHBondContact CD1-OE2 3.41Å; Y58-E63 HydrophobicContact CE1-CB 4.47Å; Y58-E63 VanDerWaalsContact CE1-OE2 3.27Å; Y58-E63 WeakPolarHBondContact CE1-OE2 3.47Å; Y58-E63 PolarHBondContact O-N 2.93Å; Y58-Y90 WeakPolarHBondContact CE1-OH 3.35Å; Y58-Y90 VanDerWaalsContact CZ-OH 3.24Å; Y58-Y90 PolarHBondContact OH-OH 2.88Å; Y58-Y90 VanDerWaalsContact OH-OH 3.08Å; Y58-L94 HydrophobicContact CD1-CD2 4.04Å; Y58-L94 HydrophobicContact CD2-CD1 4.12Å; Y58-L94 HydrophobicContact CG-CD1 4.24Å; Y58-L94 HydrophobicContact CG-CD2 4.09Å |
| 59 | Y | 95.5 | Very high | 92.9 | Very high | 68 Ų | 68 | 70.4 Ų | 70.4 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 172.6 | -179.9 | -89.1 | 0 | 0 | 0 | 111.2 | F55 R56 R61 R62 L64 P105 Y106 L109 | F55-Y59 PolarHBondContact O-N 3.29Å; R56-Y59 WeakPolarHBondContact O-CB 3.36Å; R56-Y59 PolarHBondContact O-N 3.09Å; Y59-R61 PolarHBondContact O-N 2.95Å; Y59-R62 WeakPolarHBondContact O-CA 3.28Å; Y59-R62 PolarHBondContact O-N 3.22Å; Y59-L64 HydrophobicContact CD2-CD1 4.03Å; Y59-L64 HydrophobicContact CG-CD1 4.33Å; Y59-P105 HydrophobicContact CE1-CG 4.03Å; Y59-P105 HydrophobicContact CE2-CG 4.39Å; Y59-P105 WeakPolarHBondContact OH-CG 3.38Å; Y59-Y106 AromaticContact CD1-CD1 3.9Å; Y59-Y106 HydrophobicContact CD1-CD1 3.9Å; Y59-Y106 AromaticContact CD1-CE1 3.38Å; Y59-Y106 HydrophobicContact CD1-CE1 3.38Å; Y59-Y106 HydrophobicContact CE1-CD1 4.43Å; Y59-Y106 AromaticContact CE1-CE1 3.87Å; Y59-Y106 HydrophobicContact CE1-CE1 3.87Å; Y59-Y106 HydrophobicContact CG-CD1 4.08Å; Y59-Y106 HydrophobicContact CG-CE1 4.01Å; Y59-L109 HydrophobicContact CD2-CD1 3.56Å; Y59-L109 HydrophobicContact CE2-CD1 3.17Å |
| 60 | E | 95.3 | Very high | 92.7 | Very high | 116 Ų | 116 | 71.5 Ų | 71.5 | 54% | 0.542 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61 | -33.9 | -179.4 | -72.4 | 173.2 | -179.5 | 0 | 0 | 111.8 | R56 V57 R62 | R56-E60 HydrophobicContact CG-CG 4.42Å; R56-E60 WeakPolarHBondContact CG-OE1 3.43Å; R56-E60 WeakPolarHBondContact O-CG 3.29Å; R56-E60 PolarHBondContact O-N 3.29Å; V57-E60 PolarHBondContact O-N 3.48Å; E60-R62 VanDerWaalsContact C-N 3.26Å; E60-R62 PolarHBondContact O-N 3.08Å |
| 61 | R | 96 | Very high | 92.3 | Very high | 158 Ų | 158 | 76.4 Ų | 76.4 | 60% | 0.596 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -4.4 | 173.2 | -67.9 | 176.4 | -179 | -167.3 | -1.5 | 114.6 | V57 Y58 Y59 E63 | V57-R61 VanDerWaalsContact O-CG 3.31Å; V57-R61 WeakPolarHBondContact O-CG 3.39Å; V57-R61 PolarHBondContact O-N 3.2Å; V57-R61 VanDerWaalsContact O-N 3.08Å; Y58-R61 PolarHBondContact O-N 2.95Å; Y59-R61 PolarHBondContact O-N 2.95Å; R61-E63 HydrophobicContact CB-CB 4.47Å; R61-E63 HydrophobicContact CB-CG 3.86Å; R61-E63 PolarHBondContact O-N 3.02Å |
| 62 | R | 93.8 | Very high | 91.5 | Very high | 213 Ų | 213 | 72.6 Ų | 72.6 | 80% | 0.804 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 23.1 | -176 | -52.8 | -177.2 | 175.8 | -156.8 | -1.8 | 114.3 | Y58 Y59 E60 L64 K80 | Y58-R62 PolarHBondContact O-N 3.39Å; Y59-R62 WeakPolarHBondContact O-CA 3.28Å; Y59-R62 PolarHBondContact O-N 3.22Å; E60-R62 VanDerWaalsContact C-N 3.26Å; E60-R62 PolarHBondContact O-N 3.08Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-K80 PolarHBondContact O-NZ 3.09Å |
| 63 | E | 94.6 | Very high | 90.5 | Very high | 96 Ų | 96 | 80.6 Ų | 80.6 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | trans | -85.6 | -7.3 | -178.3 | -70.4 | 172.8 | -173.7 | 0 | 0 | 112.8 | Y58 R61 | Y58-E63 HydrophobicContact CD1-CB 3.82Å; Y58-E63 VanDerWaalsContact CD1-OE2 3.31Å; Y58-E63 WeakPolarHBondContact CD1-OE2 3.41Å; Y58-E63 HydrophobicContact CE1-CB 4.47Å; Y58-E63 VanDerWaalsContact CE1-OE2 3.27Å; Y58-E63 WeakPolarHBondContact CE1-OE2 3.47Å; Y58-E63 PolarHBondContact O-N 2.93Å; R61-E63 HydrophobicContact CB-CB 4.47Å; R61-E63 HydrophobicContact CB-CG 3.86Å; R61-E63 PolarHBondContact O-N 3.02Å | ||
| 64 | L | 95.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -75.3 | 144.7 | 177.4 | -67.5 | 179.6 | 0 | 0 | 0 | 112.5 | F55 Y59 R62 I66 K80 L94 | F55-L64 HydrophobicContact CD2-CD1 3.94Å; F55-L64 HydrophobicContact CD2-CD2 4.36Å; F55-L64 HydrophobicContact CE2-CD1 3.38Å; F55-L64 HydrophobicContact CE2-CD2 4.32Å; F55-L64 HydrophobicContact CZ-CD1 3.75Å; Y59-L64 HydrophobicContact CD2-CD1 4.03Å; Y59-L64 HydrophobicContact CG-CD1 4.33Å; R62-L64 VanDerWaalsContact C-N 3.35Å; L64-I66 HydrophobicContact CB-CG1 4.16Å; L64-I66 HydrophobicContact CD1-CG1 4.44Å; L64-I66 PolarHBondContact O-N 3.06Å; L64-K80 PolarHBondContact O-NZ 3.27Å; L64-L94 HydrophobicContact CD2-CD2 3.54Å; L64-L94 HydrophobicContact CD2-CG 4.2Å |
| 65 | P | 95.6 | Very high | 88.2 | Confident | 9 Ų | 9 | 85.3 Ų | 85.3 | 6% | 0.058 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -79.7 | 8.2 | 174.9 | 35.2 | -36.7 | 0 | 0 | 0 | 112.6 | W79 K80 L86 Y91 | P65-W79 HydrophobicContact CG-CE3 4.47Å; P65-W79 HydrophobicContact CG-CZ3 4.11Å; P65-W79 CarbonylContact O-C 3.46Å; P65-W79 WeakPolarHBondContact O-CA 3.46Å; P65-K80 PolarHBondContact O-N 3.28Å; P65-L86 HydrophobicContact CB-CD2 4.03Å; P65-L86 HydrophobicContact CG-CD2 4.18Å; P65-Y91 VanDerWaalsContact CD-CE1 3.47Å; P65-Y91 HydrophobicContact CG-CD1 3.73Å; P65-Y91 HydrophobicContact CG-CE1 3.68Å; P65-Y91 HydrophobicContact CG-CG 4.29Å |
| 66 | I | 95.8 | Very high | 87.8 | Confident | 4 Ų | 4 | 86.8 Ų | 86.8 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.5 | -179.7 | 57.4 | 172.7 | 0 | 0 | 0 | 111.8 | F55 L64 I77 A78 W79 L95 L109 | F55-I66 HydrophobicContact CE2-CD1 4.34Å; F55-I66 HydrophobicContact CZ-CD1 4.49Å; L64-I66 HydrophobicContact CB-CG1 4.16Å; L64-I66 HydrophobicContact CD1-CG1 4.44Å; L64-I66 PolarHBondContact O-N 3.06Å; I66-I77 HydrophobicContact CG2-CD1 4.45Å; I66-A78 WeakPolarHBondContact CA-O 3.31Å; I66-W79 HydrophobicContact CG2-CD2 3.42Å; I66-W79 VanDerWaalsContact CG2-CD2 3.42Å; I66-W79 HydrophobicContact CG2-CE3 3.22Å; I66-W79 HydrophobicContact CG2-CG 4.21Å; I66-W79 HydrophobicContact CG2-CH2 3.5Å; I66-W79 VanDerWaalsContact CG2-CH2 3.5Å; I66-W79 HydrophobicContact CG2-CZ2 3.69Å; I66-W79 HydrophobicContact CG2-CZ3 3.25Å; I66-L95 HydrophobicContact CD1-CD2 3.58Å; I66-L109 HydrophobicContact CB-CD2 4.48Å; I66-L109 HydrophobicContact CD1-CB 3.89Å; I66-L109 HydrophobicContact CD1-CD2 4.16Å; I66-L109 WeakPolarHBondContact CD1-O 3.38Å; I66-L109 HydrophobicContact CG1-CD2 4.34Å |
| 67 | S | 94.2 | Very high | 87.7 | Confident | 42 Ų | 42 | 85 Ų | 85 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 163 | 174.4 | 54.2 | 0 | 0 | 0 | 0 | 110.8 | I77 A78 | S67-I77 CarbonylContact O-C 3.56Å; S67-I77 WeakPolarHBondContact O-CA 3.47Å; S67-A78 PolarHBondContact N-O 3.24Å; S67-A78 PolarHBondContact O-N 3.2Å; S67-A78 PolarHBondContact OG-O 3.45Å |
| 68 | V | 92.9 | Very high | 87.6 | Confident | 19 Ų | 19 | 84.4 Ų | 84.4 | 12% | 0.115 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 130 | 172.7 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | H70 Y104 P105 F108 L109 | V68-H70 PolarHBondContact O-CD2 2.55Å; V68-H70 PolarHBondContact O-N 3.08Å; V68-Y104 WeakPolarHBondContact CG1-OH 3.46Å; V68-P105 HydrophobicContact CG2-CB 3.82Å; V68-F108 HydrophobicContact CG2-CD1 4.39Å; V68-L109 HydrophobicContact CG2-CD1 4.23Å; V68-L109 HydrophobicContact CG2-CD2 4.09Å; V68-L109 HydrophobicContact CG2-CG 4.18Å |
| 69 | D | 90.3 | Very high | 87.6 | Confident | 35 Ų | 35 | 84.1 Ų | 84.1 | 19% | 0.187 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 115 | 171.3 | -178.4 | 9.2 | 0 | 0 | 0 | 109.3 | N71 N72 A76 A78 | D69-N71 WeakPolarHBondContact OD1-CB 3.14Å; D69-N71 PolarHBondContact OD1-N 2.95Å; D69-N72 PolarHBondContact OD2-ND2 3.42Å; D69-A76 HydrophobicContact CB-CB 4.19Å; D69-A76 PolarHBondContact N-O 3.06Å; D69-A78 HydrophobicContact CB-CB 4.23Å |
| 70 | H | 82.3 | Confident | 87.6 | Confident | 156 Ų | 156 | 86.7 Ų | 86.7 | 72% | 0.722 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -93.1 | -6.4 | 178.7 | -66.4 | -79.4 | 0 | 0 | 0 | 113.2 | V68 | V68-H70 PolarHBondContact O-CD2 2.55Å; V68-H70 PolarHBondContact O-N 3.08Å |
| 71 | N | 76.6 | Confident | 87.6 | Confident | 157 Ų | 157 | 84.4 Ų | 84.4 | 84% | 0.84 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -90.9 | -24.3 | -173.8 | -66.3 | -21.9 | 0 | 0 | 0 | 112.7 | D69 | D69-N71 WeakPolarHBondContact OD1-CB 3.14Å; D69-N71 PolarHBondContact OD1-N 2.95Å |
| 72 | N | 66.7 | Low | 87.6 | Confident | 104 Ų | 104 | 81 Ų | 81 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -86.9 | 142.3 | 174.4 | -94.7 | -39.8 | 0 | 0 | 0 | 111.5 | D69 G74 | D69-N72 PolarHBondContact OD2-ND2 3.42Å; N72-G74 PolarHBondContact O-N 3.42Å |
| 73 | R | 64.1 | Low | 87.8 | Confident | 267 Ų | 267 | 71.2 Ų | 71.2 | 100% | 1.008 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -68.8 | 10.4 | 172.1 | -57.5 | -172.9 | -153.8 | -168.1 | 5.8 | 113.5 | ||
| 74 | G | 63 | Low | 87.8 | Confident | 41 Ų | 41 | 70.6 Ų | 70.6 | 42% | 0.423 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -125.5 | 154.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N72 A76 | N72-G74 PolarHBondContact O-N 3.42Å; G74-A76 VanDerWaalsContact C-N 3.28Å; G74-A76 PolarHBondContact O-N 3.2Å |
| 75 | N | 74.5 | Confident | 87.8 | Confident | 137 Ų | 137 | 77.8 Ų | 77.8 | 73% | 0.733 | 40% | 0.396 | S | S | * | . | trans | -69.8 | 85.5 | 173.1 | -68.4 | -14.3 | 0 | 0 | 0 | 109.3 | F108 | N75-F108 VanDerWaalsContact C-CZ 3.46Å; N75-F108 HydrophobicContact CB-CE2 3.76Å; N75-F108 HydrophobicContact CB-CZ 3.84Å; N75-F108 WeakPolarHBondContact O-CZ 3.3Å | ||
| 76 | A | 88.6 | Confident | 87.9 | Confident | 32 Ų | 32 | 78.1 Ų | 78.1 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 159.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | D69 G74 | D69-A76 HydrophobicContact CB-CB 4.19Å; D69-A76 PolarHBondContact N-O 3.06Å; G74-A76 VanDerWaalsContact C-N 3.28Å; G74-A76 PolarHBondContact O-N 3.2Å |
| 77 | I | 94.3 | Very high | 88 | Confident | 20 Ų | 20 | 82.1 Ų | 82.1 | 10% | 0.103 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144 | 172 | 63.7 | 166.1 | 0 | 0 | 0 | 109.7 | I66 S67 W79 F108 L109 E112 | I66-I77 HydrophobicContact CG2-CD1 4.45Å; S67-I77 CarbonylContact O-C 3.56Å; S67-I77 WeakPolarHBondContact O-CA 3.47Å; I77-W79 HydrophobicContact CD1-CZ2 4.17Å; I77-F108 HydrophobicContact CG2-CD1 4.18Å; I77-F108 HydrophobicContact CG2-CE1 3.47Å; I77-F108 VanDerWaalsContact CG2-CE1 3.47Å; I77-F108 HydrophobicContact CG2-CZ 3.85Å; I77-L109 HydrophobicContact CB-CD2 4.38Å; I77-L109 HydrophobicContact CG2-CD2 3.72Å; I77-E112 HydrophobicContact CD1-CB 3.79Å; I77-E112 HydrophobicContact CG1-CB 4.07Å; I77-E112 HydrophobicContact CG2-CB 3.81Å; I77-E112 HydrophobicContact CG2-CG 4.22Å |
| 78 | A | 94.8 | Very high | 88.2 | Confident | 36 Ų | 36 | 80.4 Ų | 80.4 | 30% | 0.298 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I66 S67 D69 | I66-A78 WeakPolarHBondContact CA-O 3.31Å; S67-A78 PolarHBondContact N-O 3.24Å; S67-A78 PolarHBondContact O-N 3.2Å; S67-A78 PolarHBondContact OG-O 3.45Å; D69-A78 HydrophobicContact CB-CB 4.23Å |
| 79 | W | 96.5 | Very high | 88.4 | Confident | 52 Ų | 52 | 82.7 Ų | 82.7 | 20% | 0.197 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 130.2 | 174.1 | -70.4 | 88.3 | 0 | 0 | 0 | 110 | P65 I66 I77 V81 I83 L86 L95 D116 M117 | P65-W79 HydrophobicContact CG-CE3 4.47Å; P65-W79 HydrophobicContact CG-CZ3 4.11Å; P65-W79 CarbonylContact O-C 3.46Å; P65-W79 WeakPolarHBondContact O-CA 3.46Å; I66-W79 HydrophobicContact CG2-CD2 3.42Å; I66-W79 VanDerWaalsContact CG2-CD2 3.42Å; I66-W79 HydrophobicContact CG2-CE3 3.22Å; I66-W79 HydrophobicContact CG2-CG 4.21Å; I66-W79 HydrophobicContact CG2-CH2 3.5Å; I66-W79 VanDerWaalsContact CG2-CH2 3.5Å; I66-W79 HydrophobicContact CG2-CZ2 3.69Å; I66-W79 HydrophobicContact CG2-CZ3 3.25Å; I77-W79 HydrophobicContact CD1-CZ2 4.17Å; W79-V81 VanDerWaalsContact C-N 3.29Å; W79-I83 HydrophobicContact CD2-CD1 4.2Å; W79-I83 HydrophobicContact CD2-CG1 3.64Å; W79-I83 HydrophobicContact CE3-CG1 4.09Å; W79-I83 HydrophobicContact CG-CD1 4.25Å; W79-I83 HydrophobicContact CG-CG1 3.93Å; W79-I83 HydrophobicContact CZ2-CD1 4.35Å; W79-I83 HydrophobicContact CZ2-CG1 4.13Å; W79-L86 HydrophobicContact CE3-CD1 3.61Å; W79-L86 HydrophobicContact CH2-CD1 4.13Å; W79-L86 HydrophobicContact CZ3-CD1 3.23Å; W79-L95 HydrophobicContact CH2-CD1 4.2Å; W79-D116 HydrophobicContact CZ2-CB 3.92Å; W79-D116 PolarHBondContact NE1-OD2 3.36Å; W79-M117 HydrophobicContact CH2-CG 3.58Å; W79-M117 HydrophobicContact CH2-SD 3.9Å; W79-M117 HydrophobicContact CZ2-CG 4.05Å; W79-M117 HydrophobicContact CZ3-CG 4.46Å; W79-M117 HydrophobicContact CZ3-SD 4.48Å |
| 80 | K | 95.2 | Very high | 88.7 | Confident | 123 Ų | 123 | 85.5 Ų | 85.5 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -76.3 | -20 | 175.8 | -62.2 | 177.7 | -175.3 | 162.7 | 0 | 112.6 | R62 L64 P65 | R62-K80 PolarHBondContact O-NZ 3.09Å; L64-K80 PolarHBondContact O-NZ 3.27Å; P65-K80 PolarHBondContact O-N 3.28Å |
| 81 | V | 95.8 | Very high | 89.5 | Confident | 67 Ų | 67 | 80.9 Ų | 80.9 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -138.7 | 142.1 | -177.5 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | W79 I83 K85 L86 | W79-V81 VanDerWaalsContact C-N 3.29Å; V81-I83 PolarHBondContact O-N 2.89Å; V81-K85 HydrophobicContact CG1-CB 4.24Å; V81-L86 HydrophobicContact CB-CD2 4Å; V81-L86 HydrophobicContact CG1-CD2 4.12Å |
| 82 | D | 96.1 | Very high | 90.5 | Very high | 87 Ų | 87 | 73.4 Ų | 73.4 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | trans | -53.6 | 131.3 | 175.2 | -56.8 | -31.2 | 0 | 0 | 0 | 110.7 | E84 K85 | D82-E84 PolarHBondContact O-N 3.3Å; D82-E84 VanDerWaalsContact O-N 3.14Å; D82-K85 HydrophobicContact CB-CD 4.1Å; D82-K85 HydrophobicContact CB-CG 4.25Å; D82-K85 PolarHBondContact O-N 2.98Å; D82-K85 WeakPolarHBondContact OD2-CE 3.3Å; D82-K85 IonicContact OD2-NZ 3.93Å; D82-K85 PolarHBondContact OD2-NZ 2.69Å | ||
| 83 | I | 96.4 | Very high | 92 | Very high | 7 Ų | 7 | 69 Ų | 69 | 4% | 0.036 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -57.2 | -36.3 | -174.7 | -67.4 | 160.3 | 0 | 0 | 0 | 110.8 | W79 V81 K85 L86 Y88 D116 M117 R120 | W79-I83 HydrophobicContact CD2-CD1 4.2Å; W79-I83 HydrophobicContact CD2-CG1 3.64Å; W79-I83 HydrophobicContact CE3-CG1 4.09Å; W79-I83 HydrophobicContact CG-CD1 4.25Å; W79-I83 HydrophobicContact CG-CG1 3.93Å; W79-I83 HydrophobicContact CZ2-CD1 4.35Å; W79-I83 HydrophobicContact CZ2-CG1 4.13Å; V81-I83 PolarHBondContact O-N 2.89Å; I83-K85 PolarHBondContact O-N 3.38Å; I83-L86 PolarHBondContact O-N 3.22Å; I83-Y88 WeakPolarHBondContact CG2-OH 3.3Å; I83-Y88 WeakPolarHBondContact O-CE2 3.18Å; I83-D116 HydrophobicContact CD1-CB 3.91Å; I83-M117 HydrophobicContact CG2-CG 4.26Å; I83-R120 HydrophobicContact CG2-CB 3.92Å |
| 84 | E | 94.9 | Very high | 93.6 | Very high | 83 Ų | 83 | 56.9 Ų | 56.9 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -70.3 | -14.7 | -178.8 | -58.2 | 77.4 | -169.8 | 0 | 0 | 113.1 | D82 R120 R124 | D82-E84 PolarHBondContact O-N 3.3Å; D82-E84 VanDerWaalsContact O-N 3.14Å; E84-R120 VanDerWaalsContact OE1-CD 3.29Å; E84-R120 WeakPolarHBondContact OE1-CD 3.49Å; E84-R120 IonicContact OE1-NH1 2.67Å; E84-R124 PolarHBondContact O-NH1 3.29Å |
| 85 | K | 96.1 | Very high | 95.3 | Very high | 156 Ų | 156 | 55.2 Ų | 55.2 | 68% | 0.678 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -99.5 | -6 | 177.9 | -65.1 | 175.8 | -176.6 | 155.4 | 0 | 113.1 | V81 D82 I83 | V81-K85 HydrophobicContact CG1-CB 4.24Å; D82-K85 HydrophobicContact CB-CD 4.1Å; D82-K85 HydrophobicContact CB-CG 4.25Å; D82-K85 PolarHBondContact O-N 2.98Å; D82-K85 WeakPolarHBondContact OD2-CE 3.3Å; D82-K85 IonicContact OD2-NZ 3.93Å; D82-K85 PolarHBondContact OD2-NZ 2.69Å; I83-K85 PolarHBondContact O-N 3.38Å |
| 86 | L | 97.2 | Very high | 96.5 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -73.1 | 148.9 | -179.5 | -67.9 | 173.3 | 0 | 0 | 0 | 112 | P65 W79 V81 I83 Y88 Y91 | P65-L86 HydrophobicContact CB-CD2 4.03Å; P65-L86 HydrophobicContact CG-CD2 4.18Å; W79-L86 HydrophobicContact CE3-CD1 3.61Å; W79-L86 HydrophobicContact CH2-CD1 4.13Å; W79-L86 HydrophobicContact CZ3-CD1 3.23Å; V81-L86 HydrophobicContact CB-CD2 4Å; V81-L86 HydrophobicContact CG1-CD2 4.12Å; I83-L86 PolarHBondContact O-N 3.22Å; L86-Y88 WeakPolarHBondContact O-CD2 3.31Å; L86-Y88 PolarHBondContact O-N 3.37Å; L86-Y91 HydrophobicContact CB-CD2 4.14Å; L86-Y91 HydrophobicContact CD2-CD2 3.97Å; L86-Y91 HydrophobicContact CD2-CE2 3.93Å |
| 87 | D | 97.2 | Very high | 96.9 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | trans | -76.2 | 101.3 | 167.6 | -176.7 | 1.3 | 0 | 0 | 0 | 110.7 | Q89 Y90 Y91 | D87-Q89 PolarHBondContact O-N 3.47Å; D87-Q89 VanDerWaalsContact OD1-CB 3.24Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.25Å; D87-Q89 PolarHBondContact OD1-N 2.89Å; D87-Y90 PolarHBondContact O-N 3.02Å; D87-Y91 HydrophobicContact CB-CD2 4.49Å; D87-Y91 WeakPolarHBondContact O-CD2 3.21Å; D87-Y91 PolarHBondContact O-N 3.28Å | ||
| 88 | Y | 98.1 | Very high | 97 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.5 | -27.9 | 177.8 | -87.7 | -113 | 0 | 0 | 0 | 112.9 | I83 L86 Y90 L92 P93 M117 G121 R124 I125 V128 | I83-Y88 WeakPolarHBondContact CG2-OH 3.3Å; I83-Y88 WeakPolarHBondContact O-CE2 3.18Å; L86-Y88 WeakPolarHBondContact O-CD2 3.31Å; L86-Y88 PolarHBondContact O-N 3.37Å; Y88-Y90 PolarHBondContact O-N 3.44Å; Y88-L92 HydrophobicContact CD1-CB 4.45Å; Y88-L92 HydrophobicContact CD1-CD2 4.14Å; Y88-L92 WeakPolarHBondContact O-CB 3.43Å; Y88-L92 PolarHBondContact O-N 3.37Å; Y88-P93 VanDerWaalsContact O-CD 3.29Å; Y88-P93 WeakPolarHBondContact O-CD 3.3Å; Y88-M117 HydrophobicContact CD1-CE 3.75Å; Y88-M117 HydrophobicContact CD2-CE 3.75Å; Y88-M117 HydrophobicContact CE1-CB 4.01Å; Y88-M117 HydrophobicContact CE1-CE 3.67Å; Y88-M117 WeakPolarHBondContact CE1-O 3.37Å; Y88-M117 HydrophobicContact CE2-CE 3.68Å; Y88-M117 HydrophobicContact CG-CE 3.76Å; Y88-M117 PolarHBondContact OH-O 2.87Å; Y88-G121 VanDerWaalsContact CZ-CA 3.41Å; Y88-G121 VanDerWaalsContact OH-CA 3.23Å; Y88-G121 WeakPolarHBondContact OH-CA 2.89Å; Y88-G121 PolarHBondContact OH-N 2.93Å; Y88-R124 HydrophobicContact CD1-CB 4.08Å; Y88-R124 HydrophobicContact CD2-CB 4.2Å; Y88-R124 HydrophobicContact CG-CB 3.86Å; Y88-I125 HydrophobicContact CD1-CG1 4.41Å; Y88-I125 HydrophobicContact CE1-CG1 4.3Å; Y88-V128 WeakPolarHBondContact O-CG2 3.27Å |
| 89 | Q | 97.8 | Very high | 97.2 | Very high | 67 Ų | 67 | 48 Ų | 48 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.2 | -19.9 | 178 | -68.8 | -70.8 | -43.4 | 0 | 0 | 112.8 | D87 P127 V128 K131 | D87-Q89 PolarHBondContact O-N 3.47Å; D87-Q89 VanDerWaalsContact OD1-CB 3.24Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.25Å; D87-Q89 PolarHBondContact OD1-N 2.89Å; Q89-P127 PolarHBondContact NE2-O 3.08Å; Q89-V128 HydrophobicContact CG-CG2 4.49Å; Q89-K131 PolarHBondContact O-NZ 2.9Å |
| 90 | Y | 97.3 | Very high | 97.2 | Very high | 94 Ų | 94 | 46.1 Ų | 46.1 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -108 | -55.3 | -178.2 | -178.5 | -99.2 | 0 | 0 | 0 | 112.2 | Y58 D87 Y88 P93 L94 | Y58-Y90 WeakPolarHBondContact CE1-OH 3.35Å; Y58-Y90 VanDerWaalsContact CZ-OH 3.24Å; Y58-Y90 PolarHBondContact OH-OH 2.88Å; Y58-Y90 VanDerWaalsContact OH-OH 3.08Å; D87-Y90 PolarHBondContact O-N 3.02Å; Y88-Y90 PolarHBondContact O-N 3.44Å; Y90-P93 WeakPolarHBondContact O-CD 3.5Å; Y90-L94 HydrophobicContact CE1-CD2 4.23Å; Y90-L94 WeakPolarHBondContact O-CB 3.43Å; Y90-L94 PolarHBondContact O-N 3.13Å |
| 91 | Y | 98.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 40.6 Ų | 40.6 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.5 | -36.1 | -170.1 | -71.5 | -67.3 | 0 | 0 | 0 | 113.9 | P65 L86 D87 L94 L95 | P65-Y91 VanDerWaalsContact CD-CE1 3.47Å; P65-Y91 HydrophobicContact CG-CD1 3.73Å; P65-Y91 HydrophobicContact CG-CE1 3.68Å; P65-Y91 HydrophobicContact CG-CG 4.29Å; L86-Y91 HydrophobicContact CB-CD2 4.14Å; L86-Y91 HydrophobicContact CD2-CD2 3.97Å; L86-Y91 HydrophobicContact CD2-CE2 3.93Å; D87-Y91 HydrophobicContact CB-CD2 4.49Å; D87-Y91 WeakPolarHBondContact O-CD2 3.21Å; D87-Y91 PolarHBondContact O-N 3.28Å; Y91-L94 HydrophobicContact CD1-CD2 4.41Å; Y91-L94 PolarHBondContact O-N 2.97Å; Y91-L95 WeakPolarHBondContact O-CG 3.38Å; Y91-L95 PolarHBondContact O-N 3.48Å |
| 92 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -47 | -179.7 | -173.1 | 64.7 | 0 | 0 | 0 | 111.5 | Y88 L94 L95 F96 M117 L118 I125 V128 L132 | Y88-L92 HydrophobicContact CD1-CB 4.45Å; Y88-L92 HydrophobicContact CD1-CD2 4.14Å; Y88-L92 WeakPolarHBondContact O-CB 3.43Å; Y88-L92 PolarHBondContact O-N 3.37Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.26Å; L92-L95 PolarHBondContact O-N 3.28Å; L92-F96 HydrophobicContact CD1-CD2 3.93Å; L92-F96 HydrophobicContact CD1-CE2 3.65Å; L92-F96 HydrophobicContact CG-CD2 4.1Å; L92-F96 HydrophobicContact CG-CE2 3.99Å; L92-F96 VanDerWaalsContact O-CD2 3.28Å; L92-F96 WeakPolarHBondContact O-CD2 3.33Å; L92-F96 PolarHBondContact O-N 3.42Å; L92-M117 HydrophobicContact CB-CE 3.99Å; L92-M117 HydrophobicContact CB-SD 4.41Å; L92-M117 HydrophobicContact CD1-CB 3.89Å; L92-M117 HydrophobicContact CD1-SD 4.31Å; L92-L118 HydrophobicContact CD1-CD2 4.42Å; L92-L118 HydrophobicContact CD2-CD2 4.31Å; L92-I125 HydrophobicContact CD2-CG2 4.49Å; L92-V128 HydrophobicContact CB-CG1 4.31Å; L92-V128 HydrophobicContact CD2-CB 4.47Å; L92-V128 HydrophobicContact CD2-CG1 4.27Å; L92-L132 HydrophobicContact CD2-CD1 4.1Å; L92-L132 HydrophobicContact CG-CD1 4.48Å; L92-L132 HydrophobicContact CG-CD2 4.14Å |
| 93 | P | 98.3 | Very high | 97 | Very high | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 172 | -24.9 | 35.9 | 0 | 0 | 0 | 112.8 | Y88 Y90 L95 F96 H97 V128 K131 L132 | Y88-P93 VanDerWaalsContact O-CD 3.29Å; Y88-P93 WeakPolarHBondContact O-CD 3.3Å; Y90-P93 WeakPolarHBondContact O-CD 3.5Å; P93-L95 VanDerWaalsContact C-N 3.32Å; P93-L95 PolarHBondContact O-N 2.99Å; P93-F96 WeakPolarHBondContact O-CB 3.45Å; P93-F96 PolarHBondContact O-N 2.93Å; P93-F96 VanDerWaalsContact O-N 3.16Å; P93-H97 PolarHBondContact O-CD2 3.4Å; P93-H97 PolarHBondContact O-N 2.91Å; P93-V128 HydrophobicContact CG-CG1 3.53Å; P93-K131 HydrophobicContact CB-CB 4.24Å; P93-K131 HydrophobicContact CG-CB 3.81Å; P93-K131 HydrophobicContact CG-CD 4.05Å; P93-L132 HydrophobicContact CB-CD2 4.32Å; P93-L132 HydrophobicContact CG-CD2 4.07Å |
| 94 | L | 98.2 | Very high | 96.9 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 178.2 | -179.8 | 60.3 | 0 | 0 | 0 | 111.6 | T54 F55 Y58 L64 Y90 Y91 L92 H97 | T54-L94 HydrophobicContact CG2-CD1 3.93Å; F55-L94 WeakPolarHBondContact CB-O 3.36Å; Y58-L94 HydrophobicContact CD1-CD2 4.04Å; Y58-L94 HydrophobicContact CD2-CD1 4.12Å; Y58-L94 HydrophobicContact CG-CD1 4.24Å; Y58-L94 HydrophobicContact CG-CD2 4.09Å; L64-L94 HydrophobicContact CD2-CD2 3.54Å; L64-L94 HydrophobicContact CD2-CG 4.2Å; Y90-L94 HydrophobicContact CE1-CD2 4.23Å; Y90-L94 WeakPolarHBondContact O-CB 3.43Å; Y90-L94 PolarHBondContact O-N 3.13Å; Y91-L94 HydrophobicContact CD1-CD2 4.41Å; Y91-L94 PolarHBondContact O-N 2.97Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 3.26Å; L94-H97 WeakPolarHBondContact O-CB 3.41Å; L94-H97 PolarHBondContact O-N 2.88Å |
| 95 | L | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 175.3 | -70.2 | 166.3 | 0 | 0 | 0 | 112.1 | F55 I66 W79 Y91 L92 P93 H97 G98 I114 M117 | F55-L95 HydrophobicContact CD2-CD2 4.16Å; F55-L95 HydrophobicContact CE2-CD2 3.58Å; I66-L95 HydrophobicContact CD1-CD2 3.58Å; W79-L95 HydrophobicContact CH2-CD1 4.2Å; Y91-L95 WeakPolarHBondContact O-CG 3.38Å; Y91-L95 PolarHBondContact O-N 3.48Å; L92-L95 PolarHBondContact O-N 3.28Å; P93-L95 VanDerWaalsContact C-N 3.32Å; P93-L95 PolarHBondContact O-N 2.99Å; L95-H97 VanDerWaalsContact C-N 3.25Å; L95-H97 PolarHBondContact O-N 3.46Å; L95-G98 WeakPolarHBondContact O-CA 3.34Å; L95-G98 PolarHBondContact O-N 3.01Å; L95-I114 HydrophobicContact CB-CD1 4.49Å; L95-I114 HydrophobicContact CB-CG1 3.76Å; L95-M117 HydrophobicContact CD1-CG 4.21Å; L95-M117 HydrophobicContact CD1-SD 3.33Å; L95-M117 WeakPolarHBondContact CD1-SD 3.43Å |
| 96 | F | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -31.6 | 175.4 | -93.1 | -111 | 0 | 0 | 0 | 112.8 | L92 P93 G98 L99 I114 L132 P135 I136 V154 L158 | L92-F96 HydrophobicContact CD1-CD2 3.93Å; L92-F96 HydrophobicContact CD1-CE2 3.65Å; L92-F96 HydrophobicContact CG-CD2 4.1Å; L92-F96 HydrophobicContact CG-CE2 3.99Å; L92-F96 VanDerWaalsContact O-CD2 3.28Å; L92-F96 WeakPolarHBondContact O-CD2 3.33Å; L92-F96 PolarHBondContact O-N 3.42Å; P93-F96 WeakPolarHBondContact O-CB 3.45Å; P93-F96 PolarHBondContact O-N 2.93Å; P93-F96 VanDerWaalsContact O-N 3.16Å; F96-G98 PolarHBondContact O-N 3.2Å; F96-L99 HydrophobicContact CB-CD1 4.46Å; F96-L99 HydrophobicContact CD1-CD1 3.74Å; F96-L99 HydrophobicContact CE1-CD1 4.31Å; F96-L99 HydrophobicContact CG-CD1 4.26Å; F96-L99 VanDerWaalsContact O-CB 3.31Å; F96-L99 WeakPolarHBondContact O-CB 3.25Å; F96-L99 VanDerWaalsContact O-CG 3.29Å; F96-L99 WeakPolarHBondContact O-CG 3.33Å; F96-L99 PolarHBondContact O-N 3.1Å; F96-L99 VanDerWaalsContact O-N 3.12Å; F96-I114 HydrophobicContact CD2-CD1 3.88Å; F96-I114 HydrophobicContact CD2-CG1 3.8Å; F96-I114 HydrophobicContact CD2-CG2 4.29Å; F96-I114 HydrophobicContact CE2-CB 4.4Å; F96-I114 HydrophobicContact CE2-CD1 4.22Å; F96-I114 HydrophobicContact CE2-CG1 3.98Å; F96-I114 HydrophobicContact CE2-CG2 3.59Å; F96-I114 HydrophobicContact CG-CD1 4.25Å; F96-I114 HydrophobicContact CZ-CG2 4.04Å; F96-L132 HydrophobicContact CB-CD2 4.21Å; F96-L132 HydrophobicContact CD1-CB 4.09Å; F96-L132 HydrophobicContact CD1-CD2 4.22Å; F96-L132 HydrophobicContact CD2-CD2 3.93Å; F96-L132 HydrophobicContact CE1-CB 4.2Å; F96-L132 HydrophobicContact CE1-CD1 4.2Å; F96-L132 HydrophobicContact CE2-CD1 4.18Å; F96-L132 HydrophobicContact CE2-CD2 4.32Å; F96-L132 HydrophobicContact CG-CD2 3.86Å; F96-L132 HydrophobicContact CZ-CD1 3.97Å; F96-P135 HydrophobicContact CB-CB 3.78Å; F96-P135 HydrophobicContact CB-CG 4.29Å; F96-I136 HydrophobicContact CD1-CD1 4.26Å; F96-I136 HydrophobicContact CD1-CG1 3.79Å; F96-I136 HydrophobicContact CE1-CD1 3.89Å; F96-I136 HydrophobicContact CE1-CG1 3.8Å; F96-V154 HydrophobicContact CE1-CG1 3.66Å; F96-V154 HydrophobicContact CE2-CG1 4.36Å; F96-V154 HydrophobicContact CZ-CG1 3.55Å; F96-L158 HydrophobicContact CE1-CD2 4.46Å; F96-L158 HydrophobicContact CZ-CD2 4.42Å |
| 97 | H | 97.3 | Very high | 96.8 | Very high | 66 Ų | 66 | 39.7 Ų | 39.7 | 31% | 0.306 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.7 | -28.8 | 170.2 | -82.2 | -80.6 | 0 | 0 | 0 | 112.5 | T53 P93 L94 L95 L99 | T53-H97 WeakPolarHBondContact CG2-O 3.4Å; P93-H97 PolarHBondContact O-CD2 3.4Å; P93-H97 PolarHBondContact O-N 2.91Å; L94-H97 WeakPolarHBondContact O-CB 3.41Å; L94-H97 PolarHBondContact O-N 2.88Å; L95-H97 VanDerWaalsContact C-N 3.25Å; L95-H97 PolarHBondContact O-N 3.46Å; H97-L99 PolarHBondContact O-N 3.33Å |
| 98 | G | 97.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -72.1 | -8.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L95 F96 C100 E101 | L95-G98 WeakPolarHBondContact O-CA 3.34Å; L95-G98 PolarHBondContact O-N 3.01Å; F96-G98 PolarHBondContact O-N 3.2Å; G98-C100 PolarHBondContact O-N 3.49Å; G98-C100 VanDerWaalsContact O-N 3.13Å; G98-E101 WeakPolarHBondContact O-CB 3.4Å; G98-E101 VanDerWaalsContact O-CG 3.31Å; G98-E101 WeakPolarHBondContact O-CG 3.2Å; G98-E101 PolarHBondContact O-N 3.41Å |
| 99 | L | 97.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -58.8 | -27 | 176.8 | -73.3 | 171.9 | 0 | 0 | 0 | 113.2 | F96 H97 E101 I114 A139 V147 T151 V154 | F96-L99 HydrophobicContact CB-CD1 4.46Å; F96-L99 HydrophobicContact CD1-CD1 3.74Å; F96-L99 HydrophobicContact CE1-CD1 4.31Å; F96-L99 HydrophobicContact CG-CD1 4.26Å; F96-L99 VanDerWaalsContact O-CB 3.31Å; F96-L99 WeakPolarHBondContact O-CB 3.25Å; F96-L99 VanDerWaalsContact O-CG 3.29Å; F96-L99 WeakPolarHBondContact O-CG 3.33Å; F96-L99 PolarHBondContact O-N 3.1Å; F96-L99 VanDerWaalsContact O-N 3.12Å; H97-L99 PolarHBondContact O-N 3.33Å; L99-E101 PolarHBondContact O-N 3.25Å; L99-I114 HydrophobicContact CD1-CD1 4.44Å; L99-I114 HydrophobicContact CD2-CD1 3.61Å; L99-I114 HydrophobicContact CG-CD1 3.83Å; L99-A139 HydrophobicContact CB-CB 3.61Å; L99-A139 HydrophobicContact CD1-CB 4.44Å; L99-V147 VanDerWaalsContact O-CG1 3.3Å; L99-V147 WeakPolarHBondContact O-CG1 3.35Å; L99-T151 HydrophobicContact CD1-CG2 4.32Å; L99-V154 HydrophobicContact CD1-CG1 4.46Å; L99-V154 HydrophobicContact CD2-CB 4.42Å; L99-V154 HydrophobicContact CD2-CG1 4.46Å; L99-V154 HydrophobicContact CD2-CG2 4.03Å |
| 100 | C | 96.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 8% | 0.081 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -76.8 | -7.1 | 177.2 | -62.3 | 0 | 0 | 0 | 0 | 113.8 | S50 T53 G98 A139 T142 | S50-C100 PolarHBondContact OG-O 3.4Å; T53-C100 HydrophobicContact CG2-CB 3.92Å; G98-C100 PolarHBondContact O-N 3.49Å; G98-C100 VanDerWaalsContact O-N 3.13Å; C100-A139 VanDerWaalsContact SG-CA 3.51Å; C100-T142 HydrophobicContact CB-CG2 4.35Å |
| 101 | E | 96.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 3% | 0.033 | 15% | 0.153 | C | C | . | . | trans | -74.7 | 142.5 | -179 | -65.5 | -66 | 156.4 | 0 | 0 | 110.9 | T53 F55 R56 G98 L99 E107 | T53-E101 VanDerWaalsContact CB-OE1 3.3Å; T53-E101 WeakPolarHBondContact CB-OE1 3.49Å; T53-E101 HydrophobicContact CG2-CG 4.16Å; T53-E101 WeakPolarHBondContact CG2-OE1 3.33Å; T53-E101 PolarHBondContact N-OE1 3.47Å; T53-E101 PolarHBondContact OG1-OE1 3.14Å; F55-E101 HydrophobicContact CD1-CG 4.21Å; R56-E101 WeakPolarHBondContact CB-OE1 3.36Å; R56-E101 IonicContact CZ-OE2 3.21Å; R56-E101 IonicContact NE-OE1 3.4Å; R56-E101 PolarHBondContact NE-OE1 2.8Å; R56-E101 IonicContact NE-OE2 3.04Å; R56-E101 PolarHBondContact NE-OE2 3.22Å; R56-E101 IonicContact NH2-OE2 2.63Å; R56-E101 PolarHBondContact NH2-OE2 3.19Å; G98-E101 WeakPolarHBondContact O-CB 3.4Å; G98-E101 VanDerWaalsContact O-CG 3.31Å; G98-E101 WeakPolarHBondContact O-CG 3.2Å; G98-E101 PolarHBondContact O-N 3.41Å; L99-E101 PolarHBondContact O-N 3.25Å; E101-E107 HydrophobicContact CB-CB 4.2Å; E101-E107 WeakPolarHBondContact O-CB 3.35Å | ||
| 102 | T | 94.1 | Very high | 96.6 | Very high | 73 Ų | 73 | 30.3 Ų | 30.3 | 45% | 0.448 | 15% | 0.146 | S | C | . | . | trans | -130.6 | 6.3 | 179.9 | 64.2 | 0 | 0 | 0 | 0 | 112.9 | V147 | T102-V147 HydrophobicContact CG2-CG2 3.58Š| ||
| 103 | V | 94 | Very high | 96.6 | Very high | 69 Ų | 69 | 30.3 Ų | 30.3 | 42% | 0.418 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -118.7 | 134.2 | -172.7 | 179 | 0 | 0 | 0 | 0 | 108.2 | Y106 E107 | V103-Y106 HydrophobicContact CB-CD2 4.06Å; V103-Y106 HydrophobicContact CB-CE2 4.5Å; V103-Y106 HydrophobicContact CG1-CD2 4.24Å; V103-Y106 HydrophobicContact CG1-CE2 4.26Å; V103-Y106 WeakPolarHBondContact O-CB 3.5Å; V103-Y106 WeakPolarHBondContact O-CD2 3.35Å; V103-Y106 PolarHBondContact O-N 3.11Å; V103-E107 PolarHBondContact O-N 3.49Å; V103-E107 VanDerWaalsContact O-N 3.09Å |
| 104 | Y | 93.3 | Very high | 96.6 | Very high | 128 Ų | 128 | 29.8 Ų | 29.8 | 50% | 0.502 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 138.8 | 171.5 | -178.8 | -88.4 | 0 | 0 | 0 | 110.2 | V68 F108 | V68-Y104 WeakPolarHBondContact CG1-OH 3.46Å; Y104-F108 HydrophobicContact CD2-CB 4.16Å; Y104-F108 HydrophobicContact CE2-CB 4.31Å; Y104-F108 HydrophobicContact CE2-CD1 4.26Å; Y104-F108 HydrophobicContact CE2-CG 4.4Å |
| 105 | P | 94.4 | Very high | 96.6 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.2 | -1.2 | 5.2 | 34.8 | -34.7 | 0 | 0 | 0 | 114.9 | Y59 V68 E107 F108 L109 | Y59-P105 HydrophobicContact CE1-CG 4.03Å; Y59-P105 HydrophobicContact CE2-CG 4.39Å; Y59-P105 WeakPolarHBondContact OH-CG 3.38Å; V68-P105 HydrophobicContact CG2-CB 3.82Å; P105-E107 PolarHBondContact O-N 2.87Å; P105-F108 PolarHBondContact O-N 3.05Å; P105-L109 HydrophobicContact CB-CD1 4.06Å; P105-L109 HydrophobicContact CG-CD1 4.4Å; P105-L109 WeakPolarHBondContact O-CB 3.33Å; P105-L109 WeakPolarHBondContact O-CG 3.27Å; P105-L109 PolarHBondContact O-N 3.01Å |
| 106 | Y | 95.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 15% | 0.145 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | -170.3 | -45.5 | -67.9 | 0 | 0 | 0 | 113.3 | F55 R56 Y59 V103 F108 L109 A110 | F55-Y106 WeakPolarHBondContact CE1-O 3.39Å; R56-Y106 HydrophobicContact CB-CD1 4.45Å; R56-Y106 HydrophobicContact CG-CD1 4.01Å; R56-Y106 HydrophobicContact CG-CE1 3.75Å; R56-Y106 HydrophobicContact CG-CE2 4.39Å; R56-Y106 HydrophobicContact CG-CG 4.43Å; Y59-Y106 AromaticContact CD1-CD1 3.9Å; Y59-Y106 HydrophobicContact CD1-CD1 3.9Å; Y59-Y106 AromaticContact CD1-CE1 3.38Å; Y59-Y106 HydrophobicContact CD1-CE1 3.38Å; Y59-Y106 HydrophobicContact CE1-CD1 4.43Å; Y59-Y106 AromaticContact CE1-CE1 3.87Å; Y59-Y106 HydrophobicContact CE1-CE1 3.87Å; Y59-Y106 HydrophobicContact CG-CD1 4.08Å; Y59-Y106 HydrophobicContact CG-CE1 4.01Å; V103-Y106 HydrophobicContact CB-CD2 4.06Å; V103-Y106 HydrophobicContact CB-CE2 4.5Å; V103-Y106 HydrophobicContact CG1-CD2 4.24Å; V103-Y106 HydrophobicContact CG1-CE2 4.26Å; V103-Y106 WeakPolarHBondContact O-CB 3.5Å; V103-Y106 WeakPolarHBondContact O-CD2 3.35Å; V103-Y106 PolarHBondContact O-N 3.11Å; Y106-F108 VanDerWaalsContact C-N 3.3Å; Y106-F108 PolarHBondContact O-N 3.5Å; Y106-L109 PolarHBondContact O-N 2.99Å; Y106-A110 WeakPolarHBondContact O-CB 3.43Å; Y106-A110 PolarHBondContact O-N 3.13Å |
| 107 | E | 95.4 | Very high | 96.6 | Very high | 69 Ų | 69 | 35.1 Ų | 35.1 | 32% | 0.322 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.5 | -37.8 | -178.1 | 62.7 | 123.9 | -143.3 | 0 | 0 | 112.5 | E101 V103 P105 R111 | E101-E107 HydrophobicContact CB-CB 4.2Å; E101-E107 WeakPolarHBondContact O-CB 3.35Å; V103-E107 PolarHBondContact O-N 3.49Å; V103-E107 VanDerWaalsContact O-N 3.09Å; P105-E107 PolarHBondContact O-N 2.87Å; E107-R111 WeakPolarHBondContact O-CB 3.41Å; E107-R111 PolarHBondContact O-N 3.39Å; E107-R111 VanDerWaalsContact O-N 3.08Å |
| 108 | F | 95.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.1 | -51.5 | 177.3 | 172.1 | -108 | 0 | 0 | 0 | 111 | V68 N75 I77 Y104 P105 Y106 A110 R111 E112 | V68-F108 HydrophobicContact CG2-CD1 4.39Å; N75-F108 VanDerWaalsContact C-CZ 3.46Å; N75-F108 HydrophobicContact CB-CE2 3.76Å; N75-F108 HydrophobicContact CB-CZ 3.84Å; N75-F108 WeakPolarHBondContact O-CZ 3.3Å; I77-F108 HydrophobicContact CG2-CD1 4.18Å; I77-F108 HydrophobicContact CG2-CE1 3.47Å; I77-F108 VanDerWaalsContact CG2-CE1 3.47Å; I77-F108 HydrophobicContact CG2-CZ 3.85Å; Y104-F108 HydrophobicContact CD2-CB 4.16Å; Y104-F108 HydrophobicContact CE2-CB 4.31Å; Y104-F108 HydrophobicContact CE2-CD1 4.26Å; Y104-F108 HydrophobicContact CE2-CG 4.4Å; P105-F108 PolarHBondContact O-N 3.05Å; Y106-F108 VanDerWaalsContact C-N 3.3Å; Y106-F108 PolarHBondContact O-N 3.5Å; F108-A110 PolarHBondContact O-N 3.4Å; F108-R111 PolarHBondContact O-N 3.4Å; F108-E112 HydrophobicContact CD2-CG 3.71Å; F108-E112 HydrophobicContact CE1-CG 4.41Å; F108-E112 HydrophobicContact CE2-CG 3.31Å; F108-E112 HydrophobicContact CG-CG 4.39Å; F108-E112 HydrophobicContact CZ-CG 3.7Å; F108-E112 WeakPolarHBondContact O-CG 3.31Å; F108-E112 PolarHBondContact O-N 3.44Å |
| 109 | L | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | -179.7 | -74.2 | 167 | 0 | 0 | 0 | 112.6 | F55 Y59 I66 V68 I77 P105 Y106 G113 | F55-L109 HydrophobicContact CZ-CB 3.87Å; Y59-L109 HydrophobicContact CD2-CD1 3.56Å; Y59-L109 HydrophobicContact CE2-CD1 3.17Å; I66-L109 HydrophobicContact CB-CD2 4.48Å; I66-L109 HydrophobicContact CD1-CB 3.89Å; I66-L109 HydrophobicContact CD1-CD2 4.16Å; I66-L109 WeakPolarHBondContact CD1-O 3.38Å; I66-L109 HydrophobicContact CG1-CD2 4.34Å; V68-L109 HydrophobicContact CG2-CD1 4.23Å; V68-L109 HydrophobicContact CG2-CD2 4.09Å; V68-L109 HydrophobicContact CG2-CG 4.18Å; I77-L109 HydrophobicContact CB-CD2 4.38Å; I77-L109 HydrophobicContact CG2-CD2 3.72Å; P105-L109 HydrophobicContact CB-CD1 4.06Å; P105-L109 HydrophobicContact CG-CD1 4.4Å; P105-L109 WeakPolarHBondContact O-CB 3.33Å; P105-L109 WeakPolarHBondContact O-CG 3.27Å; P105-L109 PolarHBondContact O-N 3.01Å; Y106-L109 PolarHBondContact O-N 2.99Å; L109-G113 WeakPolarHBondContact O-CA 3.3Å; L109-G113 PolarHBondContact O-N 3.08Å |
| 110 | A | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -49.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F55 Y106 F108 I114 | F55-A110 HydrophobicContact CD1-CB 4.45Å; F55-A110 HydrophobicContact CE1-CB 4.08Å; F55-A110 HydrophobicContact CE2-CB 4.49Å; F55-A110 HydrophobicContact CZ-CB 4.1Å; Y106-A110 WeakPolarHBondContact O-CB 3.43Å; Y106-A110 PolarHBondContact O-N 3.13Å; F108-A110 PolarHBondContact O-N 3.4Å; A110-I114 WeakPolarHBondContact O-CB 3.33Å; A110-I114 WeakPolarHBondContact O-CD1 3.31Å; A110-I114 WeakPolarHBondContact O-CG1 3.29Å; A110-I114 PolarHBondContact O-N 2.82Å |
| 111 | R | 97.4 | Very high | 96.6 | Very high | 91 Ų | 91 | 42 Ų | 42 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.2 | -51.8 | -178.3 | -174.8 | -176.1 | 70.1 | -148 | -1 | 112.6 | E107 F108 G113 R115 T150 | E107-R111 WeakPolarHBondContact O-CB 3.41Å; E107-R111 PolarHBondContact O-N 3.39Å; E107-R111 VanDerWaalsContact O-N 3.08Å; F108-R111 PolarHBondContact O-N 3.4Å; R111-G113 VanDerWaalsContact C-N 3.35Å; R111-R115 PolarHBondContact O-N 2.98Å; R111-R115 VanDerWaalsContact O-N 3.07Å; R111-T150 HydrophobicContact CB-CG2 4.49Å; R111-T150 HydrophobicContact CG-CG2 4Å |
| 112 | E | 97.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 43 Ų | 43 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.3 | -37.8 | -178.5 | -57.4 | -56.5 | 115.4 | 0 | 0 | 111.1 | I77 F108 R115 D116 | I77-E112 HydrophobicContact CD1-CB 3.79Å; I77-E112 HydrophobicContact CG1-CB 4.07Å; I77-E112 HydrophobicContact CG2-CB 3.81Å; I77-E112 HydrophobicContact CG2-CG 4.22Å; F108-E112 HydrophobicContact CD2-CG 3.71Å; F108-E112 HydrophobicContact CE1-CG 4.41Å; F108-E112 HydrophobicContact CE2-CG 3.31Å; F108-E112 HydrophobicContact CG-CG 4.39Å; F108-E112 HydrophobicContact CZ-CG 3.7Å; F108-E112 WeakPolarHBondContact O-CG 3.31Å; F108-E112 PolarHBondContact O-N 3.44Å; E112-R115 WeakPolarHBondContact O-CB 3.16Å; E112-R115 PolarHBondContact O-N 3.38Å; E112-R115 IonicContact OE1-NH1 3.64Å; E112-R115 IonicContact OE2-CZ 2.73Å; E112-R115 IonicContact OE2-NH1 2.74Å; E112-R115 PolarHBondContact OE2-NH1 3.24Å; E112-R115 IonicContact OE2-NH2 3.23Å; E112-R115 PolarHBondContact OE2-NH2 3.34Å; E112-D116 PolarHBondContact O-N 3.5Å |
| 113 | G | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L109 R111 D116 M117 | L109-G113 WeakPolarHBondContact O-CA 3.3Å; L109-G113 PolarHBondContact O-N 3.08Å; R111-G113 VanDerWaalsContact C-N 3.35Å; G113-D116 PolarHBondContact O-N 2.93Å; G113-M117 WeakPolarHBondContact O-CG 3.49Å; G113-M117 PolarHBondContact O-N 3.12Å |
| 114 | I | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 172.9 | -70 | 166.6 | 0 | 0 | 0 | 110.2 | L95 F96 L99 A110 D116 M117 L118 V154 | L95-I114 HydrophobicContact CB-CD1 4.49Å; L95-I114 HydrophobicContact CB-CG1 3.76Å; F96-I114 HydrophobicContact CD2-CD1 3.88Å; F96-I114 HydrophobicContact CD2-CG1 3.8Å; F96-I114 HydrophobicContact CD2-CG2 4.29Å; F96-I114 HydrophobicContact CE2-CB 4.4Å; F96-I114 HydrophobicContact CE2-CD1 4.22Å; F96-I114 HydrophobicContact CE2-CG1 3.98Å; F96-I114 HydrophobicContact CE2-CG2 3.59Å; F96-I114 HydrophobicContact CG-CD1 4.25Å; F96-I114 HydrophobicContact CZ-CG2 4.04Å; L99-I114 HydrophobicContact CD1-CD1 4.44Å; L99-I114 HydrophobicContact CD2-CD1 3.61Å; L99-I114 HydrophobicContact CG-CD1 3.83Å; A110-I114 WeakPolarHBondContact O-CB 3.33Å; A110-I114 WeakPolarHBondContact O-CD1 3.31Å; A110-I114 WeakPolarHBondContact O-CG1 3.29Å; A110-I114 PolarHBondContact O-N 2.82Å; I114-D116 VanDerWaalsContact C-N 3.34Å; I114-D116 PolarHBondContact O-N 3.3Å; I114-M117 PolarHBondContact O-N 3.29Å; I114-L118 HydrophobicContact CG2-CD1 3.66Å; I114-L118 HydrophobicContact CG2-CG 4.08Å; I114-L118 WeakPolarHBondContact O-CB 3.21Å; I114-L118 VanDerWaalsContact O-CG 3.3Å; I114-L118 WeakPolarHBondContact O-CG 3.43Å; I114-L118 PolarHBondContact O-N 2.94Å; I114-V154 HydrophobicContact CG2-CG1 3.77Å; I114-V154 HydrophobicContact CG2-CG2 4.11Å |
| 115 | R | 98.2 | Very high | 97 | Very high | 107 Ų | 107 | 40 Ų | 40 | 40% | 0.404 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.7 | -49.3 | -179.7 | -173.7 | -168.9 | 68.2 | -152.3 | -10.4 | 111.2 | R111 E112 L118 N119 H157 | R111-R115 PolarHBondContact O-N 2.98Å; R111-R115 VanDerWaalsContact O-N 3.07Å; E112-R115 WeakPolarHBondContact O-CB 3.16Å; E112-R115 PolarHBondContact O-N 3.38Å; E112-R115 IonicContact OE1-NH1 3.64Å; E112-R115 IonicContact OE2-CZ 2.73Å; E112-R115 IonicContact OE2-NH1 2.74Å; E112-R115 PolarHBondContact OE2-NH1 3.24Å; E112-R115 IonicContact OE2-NH2 3.23Å; E112-R115 PolarHBondContact OE2-NH2 3.34Å; R115-L118 PolarHBondContact O-N 3Å; R115-N119 WeakPolarHBondContact O-CB 3.33Å; R115-N119 VanDerWaalsContact O-CG 3.31Å; R115-N119 PolarHBondContact O-N 3.39Å; R115-N119 PolarHBondContact O-ND2 2.94Å; R115-H157 PolarHBondContact O-CE1 3.39Å |
| 116 | D | 97.9 | Very high | 97.1 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | -177.9 | -73.9 | 3.3 | 0 | 0 | 0 | 112.1 | W79 I83 E112 G113 I114 N119 R120 | W79-D116 HydrophobicContact CZ2-CB 3.92Å; W79-D116 PolarHBondContact NE1-OD2 3.36Å; I83-D116 HydrophobicContact CD1-CB 3.91Å; E112-D116 PolarHBondContact O-N 3.5Å; G113-D116 PolarHBondContact O-N 2.93Å; I114-D116 VanDerWaalsContact C-N 3.34Å; I114-D116 PolarHBondContact O-N 3.3Å; D116-N119 PolarHBondContact O-N 3.4Å; D116-R120 PolarHBondContact O-N 2.71Å |
| 117 | M | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.7 | -36.9 | 176.6 | -71.9 | -168.1 | 74.7 | 0 | 0 | 112.8 | W79 I83 Y88 L92 L95 G113 I114 R120 G121 | W79-M117 HydrophobicContact CH2-CG 3.58Å; W79-M117 HydrophobicContact CH2-SD 3.9Å; W79-M117 HydrophobicContact CZ2-CG 4.05Å; W79-M117 HydrophobicContact CZ3-CG 4.46Å; W79-M117 HydrophobicContact CZ3-SD 4.48Å; I83-M117 HydrophobicContact CG2-CG 4.26Å; Y88-M117 HydrophobicContact CD1-CE 3.75Å; Y88-M117 HydrophobicContact CD2-CE 3.75Å; Y88-M117 HydrophobicContact CE1-CB 4.01Å; Y88-M117 HydrophobicContact CE1-CE 3.67Å; Y88-M117 WeakPolarHBondContact CE1-O 3.37Å; Y88-M117 HydrophobicContact CE2-CE 3.68Å; Y88-M117 HydrophobicContact CG-CE 3.76Å; Y88-M117 PolarHBondContact OH-O 2.87Å; L92-M117 HydrophobicContact CB-CE 3.99Å; L92-M117 HydrophobicContact CB-SD 4.41Å; L92-M117 HydrophobicContact CD1-CB 3.89Å; L92-M117 HydrophobicContact CD1-SD 4.31Å; L95-M117 HydrophobicContact CD1-CG 4.21Å; L95-M117 HydrophobicContact CD1-SD 3.33Å; L95-M117 WeakPolarHBondContact CD1-SD 3.43Å; G113-M117 WeakPolarHBondContact O-CG 3.49Å; G113-M117 PolarHBondContact O-N 3.12Å; I114-M117 PolarHBondContact O-N 3.29Å; M117-R120 PolarHBondContact O-N 3.16Å; M117-G121 VanDerWaalsContact O-CA 3.26Å; M117-G121 WeakPolarHBondContact O-CA 3.48Å; M117-G121 PolarHBondContact O-N 3.32Å |
| 118 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 175.5 | -68.8 | 179.9 | 0 | 0 | 0 | 111.5 | L92 I114 R115 R120 I125 H157 L158 | L92-L118 HydrophobicContact CD1-CD2 4.42Å; L92-L118 HydrophobicContact CD2-CD2 4.31Å; I114-L118 HydrophobicContact CG2-CD1 3.66Å; I114-L118 HydrophobicContact CG2-CG 4.08Å; I114-L118 WeakPolarHBondContact O-CB 3.21Å; I114-L118 VanDerWaalsContact O-CG 3.3Å; I114-L118 WeakPolarHBondContact O-CG 3.43Å; I114-L118 PolarHBondContact O-N 2.94Å; R115-L118 PolarHBondContact O-N 3Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 2.83Å; L118-I125 HydrophobicContact CD2-CD1 3.98Å; L118-I125 HydrophobicContact CD2-CG1 4.46Å; L118-I125 HydrophobicContact CD2-CG2 4.17Å; L118-I125 WeakPolarHBondContact O-CD1 3.48Å; L118-H157 HydrophobicContact CD1-CB 4.23Å; L118-L158 HydrophobicContact CD1-CB 4.21Å; L118-L158 HydrophobicContact CD2-CD1 3.69Å |
| 119 | N | 97.7 | Very high | 97.3 | Very high | 98 Ų | 98 | 41.1 Ų | 41.1 | 52% | 0.524 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.5 | -31.5 | 177.6 | -78.9 | -29.5 | 0 | 0 | 0 | 113.8 | R115 D116 H157 | R115-N119 WeakPolarHBondContact O-CB 3.33Å; R115-N119 VanDerWaalsContact O-CG 3.31Å; R115-N119 PolarHBondContact O-N 3.39Å; R115-N119 PolarHBondContact O-ND2 2.94Å; D116-N119 PolarHBondContact O-N 3.4Å; N119-H157 PolarHBondContact OD1-CE1 3.19Å; N119-H157 VanDerWaalsContact OD1-CE1 3.29Å; N119-H157 PolarHBondContact OD1-NE2 3.16Å |
| 120 | R | 97.5 | Very high | 97.3 | Very high | 133 Ų | 133 | 44.3 Ų | 44.3 | 50% | 0.502 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -116.1 | 3.1 | -172.8 | -52.8 | -172.9 | -163.3 | -151.1 | 1.8 | 113.9 | I83 E84 D116 M117 L118 R124 | I83-R120 HydrophobicContact CG2-CB 3.92Å; E84-R120 VanDerWaalsContact OE1-CD 3.29Å; E84-R120 WeakPolarHBondContact OE1-CD 3.49Å; E84-R120 IonicContact OE1-NH1 2.67Å; D116-R120 PolarHBondContact O-N 2.71Å; M117-R120 PolarHBondContact O-N 3.16Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 2.83Å; R120-R124 PolarHBondContact O-NH2 3.42Å |
| 121 | G | 95.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -76.5 | -40.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y88 M117 R124 | Y88-G121 VanDerWaalsContact CZ-CA 3.41Å; Y88-G121 VanDerWaalsContact OH-CA 3.23Å; Y88-G121 WeakPolarHBondContact OH-CA 2.89Å; Y88-G121 PolarHBondContact OH-N 2.93Å; M117-G121 VanDerWaalsContact O-CA 3.26Å; M117-G121 WeakPolarHBondContact O-CA 3.48Å; M117-G121 PolarHBondContact O-N 3.32Å; G121-R124 WeakPolarHBondContact O-CB 3.49Å; G121-R124 PolarHBondContact O-N 2.85Å; G121-R124 VanDerWaalsContact O-N 3.17Å; G121-R124 PolarHBondContact O-NE 3.16Å; G121-R124 VanDerWaalsContact O-NE 3.12Å |
| 122 | G | 95.1 | Very high | 97.4 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | 50.6 | -129.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R124 I125 A162 | G122-R124 PolarHBondContact O-N 2.95Å; G122-I125 PolarHBondContact O-N 3.04Å; G122-A162 WeakPolarHBondContact O-CB 3.28Å |
| 123 | P | 95.6 | Very high | 97.4 | Very high | 114 Ų | 114 | 44 Ų | 44 | 74% | 0.74 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -65.4 | -13.3 | -175.6 | 28.1 | -35.4 | 0 | 0 | 0 | 114.1 | I125 P127 | P123-I125 PolarHBondContact O-N 2.85Å; P123-P127 VanDerWaalsContact O-CD 3.22Å; P123-P127 WeakPolarHBondContact O-CD 3.32Å |
| 124 | R | 97.3 | Very high | 97.3 | Very high | 95 Ų | 95 | 48 Ų | 48 | 36% | 0.358 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -72.4 | -15.6 | 177.8 | -65 | 173.2 | -77.7 | -140.4 | 3.8 | 113.5 | E84 Y88 R120 G121 G122 V128 | E84-R124 PolarHBondContact O-NH1 3.29Å; Y88-R124 HydrophobicContact CD1-CB 4.08Å; Y88-R124 HydrophobicContact CD2-CB 4.2Å; Y88-R124 HydrophobicContact CG-CB 3.86Å; R120-R124 PolarHBondContact O-NH2 3.42Å; G121-R124 WeakPolarHBondContact O-CB 3.49Å; G121-R124 PolarHBondContact O-N 2.85Å; G121-R124 VanDerWaalsContact O-N 3.17Å; G121-R124 PolarHBondContact O-NE 3.16Å; G121-R124 VanDerWaalsContact O-NE 3.12Å; G122-R124 PolarHBondContact O-N 2.95Å; R124-V128 VanDerWaalsContact O-CG2 3.28Å; R124-V128 WeakPolarHBondContact O-CG2 3.49Å |
| 125 | I | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -75.4 | -43.1 | -178 | -60.7 | 171.2 | 0 | 0 | 0 | 110.6 | Y88 L92 L118 G122 P123 V128 L129 L158 S161 V165 | Y88-I125 HydrophobicContact CD1-CG1 4.41Å; Y88-I125 HydrophobicContact CE1-CG1 4.3Å; L92-I125 HydrophobicContact CD2-CG2 4.49Å; L118-I125 HydrophobicContact CD2-CD1 3.98Å; L118-I125 HydrophobicContact CD2-CG1 4.46Å; L118-I125 HydrophobicContact CD2-CG2 4.17Å; L118-I125 WeakPolarHBondContact O-CD1 3.48Å; G122-I125 PolarHBondContact O-N 3.04Å; P123-I125 PolarHBondContact O-N 2.85Å; I125-V128 WeakPolarHBondContact O-CB 2.84Å; I125-V128 PolarHBondContact O-N 3.18Å; I125-L129 PolarHBondContact O-N 3.48Å; I125-L158 HydrophobicContact CG2-CD1 3.67Å; I125-S161 VanDerWaalsContact CD1-OG 3.29Å; I125-S161 WeakPolarHBondContact CD1-OG 3.48Å; I125-V165 HydrophobicContact CG2-CG2 4.23Å |
| 126 | L | 96.5 | Very high | 97.2 | Very high | 70 Ų | 70 | 43 Ų | 43 | 37% | 0.366 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -56.4 | -45.7 | -173.5 | -171.5 | 71.2 | 0 | 0 | 0 | 113.1 | V128 L129 V165 A168 | L126-V128 PolarHBondContact O-N 3.03Å; L126-V128 VanDerWaalsContact O-N 3.16Å; L126-L129 WeakPolarHBondContact O-CB 3.5Å; L126-L129 PolarHBondContact O-N 3.19Å; L126-V165 HydrophobicContact CB-CG2 4.49Å; L126-V165 HydrophobicContact CD1-CG2 4.11Å; L126-A168 HydrophobicContact CD1-CB 3.5Å; L126-A168 VanDerWaalsContact CD1-CB 3.5Å |
| 127 | P | 96.9 | Very high | 97 | Very high | 83 Ų | 83 | 45.8 Ų | 45.8 | 54% | 0.539 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -67.5 | -14.7 | 178.3 | -21.1 | 35.2 | 0 | 0 | 0 | 114.1 | Q89 P123 | Q89-P127 PolarHBondContact NE2-O 3.08Å; P123-P127 VanDerWaalsContact O-CD 3.22Å; P123-P127 WeakPolarHBondContact O-CD 3.32Å |
| 128 | V | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -90.9 | -22.5 | -178.8 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | Y88 Q89 L92 P93 R124 I125 L126 P130 K131 L132 | Y88-V128 WeakPolarHBondContact O-CG2 3.27Å; Q89-V128 HydrophobicContact CG-CG2 4.49Å; L92-V128 HydrophobicContact CB-CG1 4.31Å; L92-V128 HydrophobicContact CD2-CB 4.47Å; L92-V128 HydrophobicContact CD2-CG1 4.27Å; P93-V128 HydrophobicContact CG-CG1 3.53Å; R124-V128 VanDerWaalsContact O-CG2 3.28Å; R124-V128 WeakPolarHBondContact O-CG2 3.49Å; I125-V128 WeakPolarHBondContact O-CB 2.84Å; I125-V128 PolarHBondContact O-N 3.18Å; L126-V128 PolarHBondContact O-N 3.03Å; L126-V128 VanDerWaalsContact O-N 3.16Å; V128-P130 VanDerWaalsContact C-N 3.33Å; V128-P130 WeakPolarHBondContact O-CD 3.35Å; V128-K131 WeakPolarHBondContact O-CB 3.3Å; V128-K131 PolarHBondContact O-N 2.86Å; V128-L132 HydrophobicContact CG1-CD2 3.87Å; V128-L132 HydrophobicContact CG1-CG 4.18Å |
| 129 | L | 97 | Very high | 96.8 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -45.1 | -44.8 | -169.5 | -168.8 | 67.7 | 0 | 0 | 0 | 114.9 | I125 L126 K131 L132 L158 V165 A168 L169 | I125-L129 PolarHBondContact O-N 3.48Å; L126-L129 WeakPolarHBondContact O-CB 3.5Å; L126-L129 PolarHBondContact O-N 3.19Å; L129-K131 PolarHBondContact O-N 3Å; L129-L132 WeakPolarHBondContact O-CB 3.4Å; L129-L132 PolarHBondContact O-N 3.08Å; L129-L158 HydrophobicContact CD1-CD1 4.25Å; L129-L158 HydrophobicContact CD1-CD2 3.86Å; L129-L158 HydrophobicContact CD1-CG 4.28Å; L129-V165 HydrophobicContact CD1-CG1 4.01Å; L129-V165 HydrophobicContact CD2-CG1 4.45Å; L129-A168 VanDerWaalsContact CD2-C 3.45Å; L129-A168 HydrophobicContact CD2-CB 3.57Å; L129-L169 HydrophobicContact CD1-CD1 4.1Å; L129-L169 HydrophobicContact CD2-CB 4.2Å; L129-L169 HydrophobicContact CG-CD1 4.4Å |
| 130 | P | 97.5 | Very high | 96.7 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.3 | -30.4 | 179.4 | -22.6 | 34.7 | 0 | 0 | 0 | 113.8 | V128 L132 I133 | V128-P130 VanDerWaalsContact C-N 3.33Å; V128-P130 WeakPolarHBondContact O-CD 3.35Å; P130-L132 VanDerWaalsContact C-N 3.3Å; P130-L132 PolarHBondContact O-N 2.93Å; P130-I133 WeakPolarHBondContact O-CG1 3.28Å |
| 131 | K | 97.9 | Very high | 96.5 | Very high | 102 Ų | 102 | 40.8 Ų | 40.8 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -75.8 | -17.3 | 178.7 | -63.9 | 175.9 | 173.1 | 170.3 | 0 | 112.9 | Q89 P93 V128 L129 P135 | Q89-K131 PolarHBondContact O-NZ 2.9Å; P93-K131 HydrophobicContact CB-CB 4.24Å; P93-K131 HydrophobicContact CG-CB 3.81Å; P93-K131 HydrophobicContact CG-CD 4.05Å; V128-K131 WeakPolarHBondContact O-CB 3.3Å; V128-K131 PolarHBondContact O-N 2.86Å; L129-K131 PolarHBondContact O-N 3Å; K131-P135 VanDerWaalsContact O-CD 3.25Å; K131-P135 WeakPolarHBondContact O-CD 3.46Å |
| 132 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -84.9 | -20.2 | -178.1 | -52 | -176 | 0 | 0 | 0 | 112.6 | L92 P93 F96 V128 L129 P130 I134 P135 I136 L158 | L92-L132 HydrophobicContact CD2-CD1 4.1Å; L92-L132 HydrophobicContact CG-CD1 4.48Å; L92-L132 HydrophobicContact CG-CD2 4.14Å; P93-L132 HydrophobicContact CB-CD2 4.32Å; P93-L132 HydrophobicContact CG-CD2 4.07Å; F96-L132 HydrophobicContact CB-CD2 4.21Å; F96-L132 HydrophobicContact CD1-CB 4.09Å; F96-L132 HydrophobicContact CD1-CD2 4.22Å; F96-L132 HydrophobicContact CD2-CD2 3.93Å; F96-L132 HydrophobicContact CE1-CB 4.2Å; F96-L132 HydrophobicContact CE1-CD1 4.2Å; F96-L132 HydrophobicContact CE2-CD1 4.18Å; F96-L132 HydrophobicContact CE2-CD2 4.32Å; F96-L132 HydrophobicContact CG-CD2 3.86Å; F96-L132 HydrophobicContact CZ-CD1 3.97Å; V128-L132 HydrophobicContact CG1-CD2 3.87Å; V128-L132 HydrophobicContact CG1-CG 4.18Å; L129-L132 WeakPolarHBondContact O-CB 3.4Å; L129-L132 PolarHBondContact O-N 3.08Å; P130-L132 VanDerWaalsContact C-N 3.3Å; P130-L132 PolarHBondContact O-N 2.93Å; L132-I134 PolarHBondContact O-N 3.16Å; L132-P135 WeakPolarHBondContact O-CD 3.48Å; L132-I136 HydrophobicContact CB-CD1 4.19Å; L132-I136 WeakPolarHBondContact O-CB 3.48Å; L132-I136 WeakPolarHBondContact O-CD1 3.34Å; L132-I136 WeakPolarHBondContact O-CG1 3.46Å; L132-I136 PolarHBondContact O-N 3.4Å; L132-L158 HydrophobicContact CD1-CD1 3.98Å; L132-L158 HydrophobicContact CD1-CD2 4.19Å |
| 133 | I | 97.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | -172.5 | -51.7 | -53.5 | 0 | 0 | 0 | 112.3 | P130 R137 L169 Y172 Q175 I176 | P130-I133 WeakPolarHBondContact O-CG1 3.28Å; I133-R137 WeakPolarHBondContact O-CB 3.37Å; I133-R137 PolarHBondContact O-N 3.1Å; I133-L169 HydrophobicContact CD1-CD1 3.59Å; I133-Y172 HydrophobicContact CD1-CD1 4.21Å; I133-Y172 HydrophobicContact CD1-CD2 3.92Å; I133-Y172 HydrophobicContact CD1-CG 3.62Å; I133-Y172 HydrophobicContact CG1-CD1 3.71Å; I133-Y172 HydrophobicContact CG1-CD2 4.22Å; I133-Y172 HydrophobicContact CG1-CE1 4.28Å; I133-Y172 HydrophobicContact CG1-CG 3.67Å; I133-Y172 HydrophobicContact CG2-CD1 4.35Å; I133-Q175 HydrophobicContact CG2-CB 3.97Å; I133-Q175 HydrophobicContact CG2-CG 4.47Å; I133-I176 HydrophobicContact CD1-CD1 4.27Å; I133-I176 HydrophobicContact CG2-CD1 4.45Å; I133-I176 HydrophobicContact CG2-CG1 4.36Å |
| 134 | I | 95.7 | Very high | 96.1 | Very high | 85 Ų | 85 | 36.7 Ų | 36.7 | 44% | 0.436 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.9 | -48.4 | -179.3 | -61.6 | -60.8 | 0 | 0 | 0 | 111.8 | L132 I136 R137 N138 | L132-I134 PolarHBondContact O-N 3.16Å; I134-I136 PolarHBondContact O-N 3.17Å; I134-R137 PolarHBondContact O-N 2.9Å; I134-N138 WeakPolarHBondContact O-CB 3.35Å; I134-N138 PolarHBondContact O-N 3.01Å; I134-N138 PolarHBondContact O-ND2 3.42Å |
| 135 | P | 97.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.5 | -46.4 | 171.7 | -29.3 | 34.5 | 0 | 0 | 0 | 114.2 | F96 K131 L132 R137 N138 A139 | F96-P135 HydrophobicContact CB-CB 3.78Å; F96-P135 HydrophobicContact CB-CG 4.29Å; K131-P135 VanDerWaalsContact O-CD 3.25Å; K131-P135 WeakPolarHBondContact O-CD 3.46Å; L132-P135 WeakPolarHBondContact O-CD 3.48Å; P135-R137 PolarHBondContact O-N 2.75Å; P135-N138 PolarHBondContact O-N 3.25Å; P135-A139 PolarHBondContact O-N 3.02Å |
| 136 | I | 97.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -50.6 | 177 | -69.8 | 165.9 | 0 | 0 | 0 | 110.4 | F96 L132 I134 N138 A139 M140 T151 I155 L158 I176 | F96-I136 HydrophobicContact CD1-CD1 4.26Å; F96-I136 HydrophobicContact CD1-CG1 3.79Å; F96-I136 HydrophobicContact CE1-CD1 3.89Å; F96-I136 HydrophobicContact CE1-CG1 3.8Å; L132-I136 HydrophobicContact CB-CD1 4.19Å; L132-I136 WeakPolarHBondContact O-CB 3.48Å; L132-I136 WeakPolarHBondContact O-CD1 3.34Å; L132-I136 WeakPolarHBondContact O-CG1 3.46Å; L132-I136 PolarHBondContact O-N 3.4Å; I134-I136 PolarHBondContact O-N 3.17Å; I136-N138 VanDerWaalsContact C-N 3.3Å; I136-N138 PolarHBondContact O-N 3.41Å; I136-A139 PolarHBondContact O-N 2.81Å; I136-M140 WeakPolarHBondContact O-CG 3.5Å; I136-M140 PolarHBondContact O-N 3.49Å; I136-T151 HydrophobicContact CG2-CG2 4.07Å; I136-I155 HydrophobicContact CD1-CG1 4.4Å; I136-I155 HydrophobicContact CG2-CD1 3.65Å; I136-I155 HydrophobicContact CG2-CG1 4.01Å; I136-L158 HydrophobicContact CD1-CD2 4.17Å; I136-I176 HydrophobicContact CG2-CD1 4.19Å; I136-I176 HydrophobicContact CG2-CG1 4.29Å; I136-I176 HydrophobicContact CG2-CG2 4.01Å |
| 137 | R | 95.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 38.4 Ų | 38.4 | 31% | 0.306 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 179.3 | -171.7 | -159 | -73.6 | -132.4 | 17.1 | 111.2 | I133 I134 P135 M140 N141 Q175 | I133-R137 WeakPolarHBondContact O-CB 3.37Å; I133-R137 PolarHBondContact O-N 3.1Å; I134-R137 PolarHBondContact O-N 2.9Å; P135-R137 PolarHBondContact O-N 2.75Å; R137-M140 PolarHBondContact O-N 3.01Å; R137-N141 VanDerWaalsContact O-CB 3.29Å; R137-N141 WeakPolarHBondContact O-CB 3.44Å; R137-N141 PolarHBondContact O-N 2.76Å; R137-N141 PolarHBondContact O-ND2 2.74Å; R137-Q175 PolarHBondContact NE-O 3.29Å |
| 138 | N | 95 | Very high | 95.4 | Very high | 72 Ų | 72 | 34.4 Ų | 34.4 | 39% | 0.385 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 179.4 | -72.8 | -14.8 | 0 | 0 | 0 | 111.7 | I134 P135 I136 N141 T142 | I134-N138 WeakPolarHBondContact O-CB 3.35Å; I134-N138 PolarHBondContact O-N 3.01Å; I134-N138 PolarHBondContact O-ND2 3.42Å; P135-N138 PolarHBondContact O-N 3.25Å; I136-N138 VanDerWaalsContact C-N 3.3Å; I136-N138 PolarHBondContact O-N 3.41Å; N138-N141 PolarHBondContact O-N 3.32Å; N138-T142 PolarHBondContact O-N 2.88Å |
| 139 | A | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L99 C100 P135 I136 N141 T142 V147 T151 | L99-A139 HydrophobicContact CB-CB 3.61Å; L99-A139 HydrophobicContact CD1-CB 4.44Å; C100-A139 VanDerWaalsContact SG-CA 3.51Å; P135-A139 PolarHBondContact O-N 3.02Å; I136-A139 PolarHBondContact O-N 2.81Å; A139-N141 VanDerWaalsContact C-N 3.31Å; A139-N141 PolarHBondContact O-N 3.36Å; A139-T142 WeakPolarHBondContact O-CB 3.43Å; A139-T142 WeakPolarHBondContact O-CG2 3.16Å; A139-T142 PolarHBondContact O-N 3.38Å; A139-T142 PolarHBondContact O-OG1 2.95Å; A139-V147 HydrophobicContact CB-CG1 3.92Å; A139-V147 VanDerWaalsContact O-CG1 3.3Å; A139-V147 WeakPolarHBondContact O-CG1 3.36Å; A139-T151 HydrophobicContact CB-CG2 4.14Å; A139-T151 WeakPolarHBondContact CB-OG1 3.46Å |
| 140 | M | 94.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 174.6 | -67.9 | -59.2 | -64.4 | 0 | 0 | 112.2 | I136 R137 T142 K143 M148 T151 L152 V179 F180 | I136-M140 WeakPolarHBondContact O-CG 3.5Å; I136-M140 PolarHBondContact O-N 3.49Å; R137-M140 PolarHBondContact O-N 3.01Å; M140-T142 PolarHBondContact O-N 3.46Å; M140-K143 PolarHBondContact O-N 2.93Å; M140-K143 VanDerWaalsContact O-N 3.16Å; M140-M148 HydrophobicContact CE-CB 4.41Å; M140-M148 HydrophobicContact CE-CE 3.64Å; M140-M148 HydrophobicContact CE-CG 4.31Å; M140-M148 HydrophobicContact SD-CB 4.29Å; M140-M148 HydrophobicContact SD-CG 4.31Å; M140-T151 HydrophobicContact CG-CG2 3.86Å; M140-T151 HydrophobicContact SD-CG2 3.77Å; M140-L152 HydrophobicContact CE-CD2 4.22Å; M140-L152 HydrophobicContact CE-CG 4.35Å; M140-L152 HydrophobicContact SD-CG 4.38Å; M140-V179 HydrophobicContact CB-CB 4.08Å; M140-V179 HydrophobicContact CB-CG1 3.96Å; M140-V179 HydrophobicContact CB-CG2 4.22Å; M140-V179 HydrophobicContact CE-CG1 4.2Å; M140-F180 HydrophobicContact CE-CD1 3.68Å; M140-F180 HydrophobicContact CE-CE1 3.59Å; M140-F180 HydrophobicContact CG-CE1 4.39Å; M140-F180 HydrophobicContact SD-CE1 4.28Å |
| 141 | N | 94 | Very high | 95.3 | Very high | 52 Ų | 52 | 33.1 Ų | 33.1 | 28% | 0.278 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68.8 | -12.3 | 179.8 | -84.2 | -36.4 | 0 | 0 | 0 | 114.8 | R137 N138 A139 K143 V179 | R137-N141 VanDerWaalsContact O-CB 3.29Å; R137-N141 WeakPolarHBondContact O-CB 3.44Å; R137-N141 PolarHBondContact O-N 2.76Å; R137-N141 PolarHBondContact O-ND2 2.74Å; N138-N141 PolarHBondContact O-N 3.32Å; A139-N141 VanDerWaalsContact C-N 3.31Å; A139-N141 PolarHBondContact O-N 3.36Å; N141-K143 PolarHBondContact O-N 3.27Å; N141-V179 VanDerWaalsContact OD1-CG2 3.28Å; N141-V179 WeakPolarHBondContact OD1-CG2 3.44Å |
| 142 | T | 93.9 | Very high | 95.3 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.8 | 170.8 | 67.7 | 0 | 0 | 0 | 0 | 112 | R48 C100 N138 A139 M140 N144 V147 | R48-T142 PolarHBondContact N-O 2.85Å; R48-T142 WeakPolarHBondContact O-CA 3.46Å; C100-T142 HydrophobicContact CB-CG2 4.35Å; N138-T142 PolarHBondContact O-N 2.88Å; A139-T142 WeakPolarHBondContact O-CB 3.43Å; A139-T142 WeakPolarHBondContact O-CG2 3.16Å; A139-T142 PolarHBondContact O-N 3.38Å; A139-T142 PolarHBondContact O-OG1 2.95Å; M140-T142 PolarHBondContact O-N 3.46Å; T142-N144 PolarHBondContact O-N 3.43Å; T142-N144 PolarHBondContact OG1-N 3.27Å; T142-V147 HydrophobicContact CG2-CG1 4.33Å; T142-V147 WeakPolarHBondContact OG1-CG1 3.37Å |
| 143 | K | 93.1 | Very high | 95.3 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 7% | 0.065 | 17% | 0.166 | C | C | . | . | trans | 55.9 | 17.5 | -176 | -60.7 | 175 | -173.5 | 178.7 | 0 | 112.8 | V44 Q46 R48 M140 N141 F183 | V44-K143 WeakPolarHBondContact O-CD 3.43Å; V44-K143 WeakPolarHBondContact O-CE 3.36Å; V44-K143 PolarHBondContact O-NZ 3.03Å; Q46-K143 WeakPolarHBondContact O-CD 3.47Å; R48-K143 VanDerWaalsContact CZ-NZ 3.27Å; M140-K143 PolarHBondContact O-N 2.93Å; M140-K143 VanDerWaalsContact O-N 3.16Å; N141-K143 PolarHBondContact O-N 3.27Å; K143-F183 HydrophobicContact CB-CE2 4.39Å; K143-F183 HydrophobicContact CB-CZ 3.8Å; K143-F183 HydrophobicContact CD-CE2 4.44Å; K143-F183 HydrophobicContact CD-CZ 4.27Å; K143-F183 HydrophobicContact CG-CE2 3.91Å; K143-F183 HydrophobicContact CG-CZ 3.78Å | ||
| 144 | N | 92.2 | Very high | 95.3 | Very high | 33 Ų | 33 | 34.8 Ų | 34.8 | 18% | 0.176 | 17% | 0.169 | C | C | . | . | trans | -84.2 | 121.9 | 174.1 | -178.1 | -38.6 | 0 | 0 | 0 | 108.1 | T142 N146 V147 M148 | T142-N144 PolarHBondContact O-N 3.43Å; T142-N144 PolarHBondContact OG1-N 3.27Å; N144-N146 VanDerWaalsContact C-N 3.33Å; N144-N146 PolarHBondContact O-N 2.67Å; N144-N146 PolarHBondContact OD1-N 3.41Å; N144-N146 VanDerWaalsContact OD1-N 3.09Å; N144-V147 HydrophobicContact CB-CB 4.06Å; N144-V147 HydrophobicContact CB-CG2 3.99Å; N144-V147 PolarHBondContact O-N 3.25Å; N144-M148 WeakPolarHBondContact O-CB 3.44Å; N144-M148 VanDerWaalsContact O-CG 3.3Å; N144-M148 WeakPolarHBondContact O-CG 3.33Å; N144-M148 PolarHBondContact O-N 3.37Å | ||
| 145 | H | 91.4 | Very high | 95.5 | Very high | 89 Ų | 89 | 30.8 Ų | 30.8 | 41% | 0.412 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -51 | -47.8 | -176.7 | -179.8 | 82 | 0 | 0 | 0 | 113.2 | M148 C149 | H145-M148 PolarHBondContact O-N 2.81Å; H145-C149 PolarHBondContact O-N 3.07Å; H145-C149 PolarHBondContact O-SG 3.18Å |
| 146 | N | 91.7 | Very high | 95.5 | Very high | 105 Ų | 105 | 31.7 Ų | 31.7 | 56% | 0.561 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -67.6 | -41.6 | -177.4 | -66.2 | -11.8 | 0 | 0 | 0 | 112.1 | N144 T150 | N144-N146 VanDerWaalsContact C-N 3.33Å; N144-N146 PolarHBondContact O-N 2.67Å; N144-N146 PolarHBondContact OD1-N 3.41Å; N144-N146 VanDerWaalsContact OD1-N 3.09Å; N146-T150 WeakPolarHBondContact O-CB 3.43Å; N146-T150 PolarHBondContact O-N 3.07Å; N146-T150 PolarHBondContact O-OG1 3.33Å |
| 147 | V | 95.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | L99 T102 A139 T142 N144 T150 T151 | L99-V147 VanDerWaalsContact O-CG1 3.3Å; L99-V147 WeakPolarHBondContact O-CG1 3.35Å; T102-V147 HydrophobicContact CG2-CG2 3.58Å; A139-V147 HydrophobicContact CB-CG1 3.92Å; A139-V147 VanDerWaalsContact O-CG1 3.3Å; A139-V147 WeakPolarHBondContact O-CG1 3.36Å; T142-V147 HydrophobicContact CG2-CG1 4.33Å; T142-V147 WeakPolarHBondContact OG1-CG1 3.37Å; N144-V147 HydrophobicContact CB-CB 4.06Å; N144-V147 HydrophobicContact CB-CG2 3.99Å; N144-V147 PolarHBondContact O-N 3.25Å; V147-T150 PolarHBondContact O-N 3.09Å; V147-T151 VanDerWaalsContact O-CB 3.31Å; V147-T151 WeakPolarHBondContact O-CB 3.3Å; V147-T151 PolarHBondContact O-N 2.57Å; V147-T151 PolarHBondContact O-OG1 3.3Å |
| 148 | M | 95.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | 178.7 | -69.9 | 177 | 73.4 | 0 | 0 | 111.7 | M140 N144 H145 T150 T151 L152 V179 F183 I203 | M140-M148 HydrophobicContact CE-CB 4.41Å; M140-M148 HydrophobicContact CE-CE 3.64Å; M140-M148 HydrophobicContact CE-CG 4.31Å; M140-M148 HydrophobicContact SD-CB 4.29Å; M140-M148 HydrophobicContact SD-CG 4.31Å; N144-M148 WeakPolarHBondContact O-CB 3.44Å; N144-M148 VanDerWaalsContact O-CG 3.3Å; N144-M148 WeakPolarHBondContact O-CG 3.33Å; N144-M148 PolarHBondContact O-N 3.37Å; H145-M148 PolarHBondContact O-N 2.81Å; M148-T150 VanDerWaalsContact C-N 3.3Å; M148-T150 PolarHBondContact O-N 3.21Å; M148-T151 PolarHBondContact O-N 3.25Å; M148-T151 VanDerWaalsContact O-N 3.16Å; M148-L152 VanDerWaalsContact O-CG 3.3Å; M148-L152 WeakPolarHBondContact O-CG 3.39Å; M148-L152 PolarHBondContact O-N 2.9Å; M148-V179 HydrophobicContact CE-CG1 4.13Å; M148-F183 HydrophobicContact CE-CB 3.97Å; M148-F183 HydrophobicContact CE-CD1 4.02Å; M148-F183 HydrophobicContact CE-CD2 3.42Å; M148-F183 VanDerWaalsContact CE-CD2 3.42Å; M148-F183 HydrophobicContact CE-CE1 4.39Å; M148-F183 HydrophobicContact CE-CE2 3.83Å; M148-F183 HydrophobicContact CE-CG 3.55Å; M148-F183 HydrophobicContact CE-CZ 4.31Å; M148-F183 HydrophobicContact SD-CD1 4.26Å; M148-F183 HydrophobicContact SD-CD2 4.25Å; M148-F183 HydrophobicContact SD-CE1 4.13Å; M148-F183 HydrophobicContact SD-CE2 4.11Å; M148-F183 HydrophobicContact SD-CG 4.35Å; M148-F183 HydrophobicContact SD-CZ 4.07Å; M148-I203 HydrophobicContact CB-CD1 3.69Å; M148-I203 HydrophobicContact CE-CD1 3.53Å; M148-I203 HydrophobicContact CG-CD1 4.36Å; M148-I203 HydrophobicContact SD-CD1 3.71Å |
| 149 | C | 94.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 7% | 0.074 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 177.9 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | H145 R153 L206 | H145-C149 PolarHBondContact O-N 3.07Å; H145-C149 PolarHBondContact O-SG 3.18Å; C149-R153 WeakPolarHBondContact O-CG 3.39Å; C149-R153 PolarHBondContact O-N 2.97Å; C149-L206 HydrophobicContact CB-CD2 3.8Å |
| 150 | T | 96.2 | Very high | 95.9 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 19% | 0.19 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.2 | -43 | 175.3 | -57 | 0 | 0 | 0 | 0 | 111.4 | R111 N146 V147 M148 R153 V154 | R111-T150 HydrophobicContact CB-CG2 4.49Å; R111-T150 HydrophobicContact CG-CG2 4Å; N146-T150 WeakPolarHBondContact O-CB 3.43Å; N146-T150 PolarHBondContact O-N 3.07Å; N146-T150 PolarHBondContact O-OG1 3.33Å; V147-T150 PolarHBondContact O-N 3.09Å; M148-T150 VanDerWaalsContact C-N 3.3Å; M148-T150 PolarHBondContact O-N 3.21Å; T150-R153 PolarHBondContact O-N 2.97Å; T150-V154 WeakPolarHBondContact O-CG2 3.28Å; T150-V154 PolarHBondContact O-N 3.07Å |
| 151 | T | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -41 | 179.5 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | L99 I136 A139 M140 V147 M148 V154 I155 | L99-T151 HydrophobicContact CD1-CG2 4.32Å; I136-T151 HydrophobicContact CG2-CG2 4.07Å; A139-T151 HydrophobicContact CB-CG2 4.14Å; A139-T151 WeakPolarHBondContact CB-OG1 3.46Å; M140-T151 HydrophobicContact CG-CG2 3.86Å; M140-T151 HydrophobicContact SD-CG2 3.77Å; V147-T151 VanDerWaalsContact O-CB 3.31Å; V147-T151 WeakPolarHBondContact O-CB 3.3Å; V147-T151 PolarHBondContact O-N 2.57Å; V147-T151 PolarHBondContact O-OG1 3.3Å; M148-T151 PolarHBondContact O-N 3.25Å; M148-T151 VanDerWaalsContact O-N 3.16Å; T151-V154 PolarHBondContact O-N 2.87Å; T151-I155 HydrophobicContact CG2-CD1 4.17Å; T151-I155 VanDerWaalsContact O-CG1 3.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.38Å; T151-I155 PolarHBondContact O-N 3.42Å |
| 152 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 175.5 | -72.3 | 165.9 | 0 | 0 | 0 | 111.2 | M140 M148 V154 I155 Q156 F180 I203 L206 I207 T210 | M140-L152 HydrophobicContact CE-CD2 4.22Å; M140-L152 HydrophobicContact CE-CG 4.35Å; M140-L152 HydrophobicContact SD-CG 4.38Å; M148-L152 VanDerWaalsContact O-CG 3.3Å; M148-L152 WeakPolarHBondContact O-CG 3.39Å; M148-L152 PolarHBondContact O-N 2.9Å; L152-V154 VanDerWaalsContact C-N 3.29Å; L152-V154 PolarHBondContact O-N 2.94Å; L152-I155 WeakPolarHBondContact O-CB 3.31Å; L152-I155 PolarHBondContact O-N 3.35Å; L152-Q156 WeakPolarHBondContact O-CG 3.42Å; L152-Q156 PolarHBondContact O-N 3.22Å; L152-F180 HydrophobicContact CD2-CD1 4.4Å; L152-F180 HydrophobicContact CD2-CD2 4.2Å; L152-F180 HydrophobicContact CD2-CE1 3.75Å; L152-F180 HydrophobicContact CD2-CE2 3.52Å; L152-F180 HydrophobicContact CD2-CZ 3.26Å; L152-I203 HydrophobicContact CD1-CG1 4.26Å; L152-L206 HydrophobicContact CB-CD2 3.9Å; L152-L206 HydrophobicContact CB-CG 3.91Å; L152-L206 HydrophobicContact CD1-CB 4.37Å; L152-L206 HydrophobicContact CD1-CD2 3.92Å; L152-L206 HydrophobicContact CD1-CG 3.89Å; L152-I207 HydrophobicContact CD1-CG1 3.69Å; L152-I207 HydrophobicContact CD2-CG1 4.16Å; L152-T210 HydrophobicContact CD2-CG2 4.04Å |
| 153 | R | 97.9 | Very high | 96 | Very high | 127 Ų | 127 | 39.8 Ų | 39.8 | 48% | 0.479 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.3 | -36.9 | 175.3 | -69.6 | 177.5 | -177.8 | 135.1 | 5.4 | 113 | C149 T150 Q156 H157 E201 L206 | C149-R153 WeakPolarHBondContact O-CG 3.39Å; C149-R153 PolarHBondContact O-N 2.97Å; T150-R153 PolarHBondContact O-N 2.97Å; R153-Q156 PolarHBondContact O-N 3.4Å; R153-H157 WeakPolarHBondContact O-CB 3.21Å; R153-H157 PolarHBondContact O-N 2.93Å; R153-E201 IonicContact NH2-OE2 2.76Å; R153-L206 HydrophobicContact CG-CD1 4.22Å; R153-L206 HydrophobicContact CG-CD2 4.38Å |
| 154 | V | 98.5 | Very high | 96.1 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 173.9 | 165.3 | 0 | 0 | 0 | 0 | 111.6 | F96 L99 I114 T150 T151 L152 H157 L158 | F96-V154 HydrophobicContact CE1-CG1 3.66Å; F96-V154 HydrophobicContact CE2-CG1 4.36Å; F96-V154 HydrophobicContact CZ-CG1 3.55Å; L99-V154 HydrophobicContact CD1-CG1 4.46Å; L99-V154 HydrophobicContact CD2-CB 4.42Å; L99-V154 HydrophobicContact CD2-CG1 4.46Å; L99-V154 HydrophobicContact CD2-CG2 4.03Å; I114-V154 HydrophobicContact CG2-CG1 3.77Å; I114-V154 HydrophobicContact CG2-CG2 4.11Å; T150-V154 WeakPolarHBondContact O-CG2 3.28Å; T150-V154 PolarHBondContact O-N 3.07Å; T151-V154 PolarHBondContact O-N 2.87Å; L152-V154 VanDerWaalsContact C-N 3.29Å; L152-V154 PolarHBondContact O-N 2.94Å; V154-H157 PolarHBondContact O-N 2.67Å; V154-L158 WeakPolarHBondContact O-CB 3.29Å; V154-L158 PolarHBondContact O-N 3.36Å |
| 155 | I | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 174.5 | -67.6 | 164.2 | 0 | 0 | 0 | 110.6 | I136 T151 L152 H157 L158 V159 I176 F180 T210 L214 | I136-I155 HydrophobicContact CD1-CG1 4.4Å; I136-I155 HydrophobicContact CG2-CD1 3.65Å; I136-I155 HydrophobicContact CG2-CG1 4.01Å; T151-I155 HydrophobicContact CG2-CD1 4.17Å; T151-I155 VanDerWaalsContact O-CG1 3.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.38Å; T151-I155 PolarHBondContact O-N 3.42Å; L152-I155 WeakPolarHBondContact O-CB 3.31Å; L152-I155 PolarHBondContact O-N 3.35Å; I155-H157 PolarHBondContact O-N 3.07Å; I155-L158 WeakPolarHBondContact O-CB 3.29Å; I155-L158 PolarHBondContact O-N 3.18Å; I155-V159 PolarHBondContact O-N 2.83Å; I155-V159 VanDerWaalsContact O-N 3.08Å; I155-I176 HydrophobicContact CD1-CG2 4.22Å; I155-F180 HydrophobicContact CD1-CE1 4.22Å; I155-F180 HydrophobicContact CD1-CZ 3.79Å; I155-T210 HydrophobicContact CB-CG2 4.44Å; I155-T210 HydrophobicContact CG2-CG2 4.07Å; I155-L214 HydrophobicContact CG2-CD2 3.95Å; I155-L214 HydrophobicContact CG2-CG 4.49Å |
| 156 | Q | 98.4 | Very high | 96.6 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.2 | -51.4 | 175.3 | -66.3 | 172.4 | -19.6 | 0 | 0 | 110.4 | L152 R153 L158 V159 M160 E209 T210 I213 | L152-Q156 WeakPolarHBondContact O-CG 3.42Å; L152-Q156 PolarHBondContact O-N 3.22Å; R153-Q156 PolarHBondContact O-N 3.4Å; Q156-L158 VanDerWaalsContact C-N 3.35Å; Q156-L158 PolarHBondContact O-N 3.34Å; Q156-V159 VanDerWaalsContact O-CG2 3.3Å; Q156-V159 WeakPolarHBondContact O-CG2 3.39Å; Q156-V159 PolarHBondContact O-N 3.48Å; Q156-M160 WeakPolarHBondContact O-CG 3.4Å; Q156-M160 PolarHBondContact O-N 3.47Å; Q156-E209 PolarHBondContact NE2-OE2 3.24Å; Q156-T210 HydrophobicContact CG-CG2 4.01Å; Q156-T210 PolarHBondContact NE2-OG1 2.89Å; Q156-I213 HydrophobicContact CB-CD1 4.05Å; Q156-I213 HydrophobicContact CG-CD1 3.68Å |
| 157 | H | 98.6 | Very high | 96.9 | Very high | 45 Ų | 45 | 35.2 Ų | 35.2 | 21% | 0.208 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 178 | -172.6 | -167.3 | 0 | 0 | 0 | 112.3 | R115 L118 N119 R153 V154 I155 V159 M160 S161 | R115-H157 PolarHBondContact O-CE1 3.39Å; L118-H157 HydrophobicContact CD1-CB 4.23Å; N119-H157 PolarHBondContact OD1-CE1 3.19Å; N119-H157 VanDerWaalsContact OD1-CE1 3.29Å; N119-H157 PolarHBondContact OD1-NE2 3.16Å; R153-H157 WeakPolarHBondContact O-CB 3.21Å; R153-H157 PolarHBondContact O-N 2.93Å; V154-H157 PolarHBondContact O-N 2.67Å; I155-H157 PolarHBondContact O-N 3.07Å; H157-V159 PolarHBondContact O-N 3.41Å; H157-M160 CarbonylContact O-C 3.6Å; H157-M160 PolarHBondContact O-N 3.04Å; H157-S161 VanDerWaalsContact O-CB 3.31Å; H157-S161 WeakPolarHBondContact O-CB 3.28Å; H157-S161 PolarHBondContact O-N 2.92Å |
| 158 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.9 | -49.3 | 178.9 | 173.2 | 64.3 | 0 | 0 | 0 | 111.5 | F96 L118 I125 L129 L132 I136 V154 I155 Q156 M160 S161 V165 | F96-L158 HydrophobicContact CE1-CD2 4.46Å; F96-L158 HydrophobicContact CZ-CD2 4.42Å; L118-L158 HydrophobicContact CD1-CB 4.21Å; L118-L158 HydrophobicContact CD2-CD1 3.69Å; I125-L158 HydrophobicContact CG2-CD1 3.67Å; L129-L158 HydrophobicContact CD1-CD1 4.25Å; L129-L158 HydrophobicContact CD1-CD2 3.86Å; L129-L158 HydrophobicContact CD1-CG 4.28Å; L132-L158 HydrophobicContact CD1-CD1 3.98Å; L132-L158 HydrophobicContact CD1-CD2 4.19Å; I136-L158 HydrophobicContact CD1-CD2 4.17Å; V154-L158 WeakPolarHBondContact O-CB 3.29Å; V154-L158 PolarHBondContact O-N 3.36Å; I155-L158 WeakPolarHBondContact O-CB 3.29Å; I155-L158 PolarHBondContact O-N 3.18Å; Q156-L158 VanDerWaalsContact C-N 3.35Å; Q156-L158 PolarHBondContact O-N 3.34Å; L158-M160 PolarHBondContact O-N 3.43Å; L158-S161 WeakPolarHBondContact O-CB 3.25Å; L158-S161 PolarHBondContact O-N 3.25Å; L158-S161 PolarHBondContact O-OG 3.16Å; L158-V165 HydrophobicContact CD1-CG1 4.07Å; L158-V165 HydrophobicContact CG-CG1 4.07Å; L158-V165 VanDerWaalsContact O-CG1 3.32Å; L158-V165 WeakPolarHBondContact O-CG1 3.24Å |
| 159 | V | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.1 | -22.5 | -178 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | I155 Q156 H157 L169 I213 L214 Y217 | I155-V159 PolarHBondContact O-N 2.83Å; I155-V159 VanDerWaalsContact O-N 3.08Å; Q156-V159 VanDerWaalsContact O-CG2 3.3Å; Q156-V159 WeakPolarHBondContact O-CG2 3.39Å; Q156-V159 PolarHBondContact O-N 3.48Å; H157-V159 PolarHBondContact O-N 3.41Å; V159-L169 HydrophobicContact CG1-CD2 3.46Å; V159-L169 VanDerWaalsContact CG1-CD2 3.46Å; V159-I213 HydrophobicContact CG2-CG2 3.53Å; V159-L214 HydrophobicContact CG1-CD2 3.83Å; V159-Y217 HydrophobicContact CG2-CD2 4.38Å |
| 160 | M | 97.2 | Very high | 97.2 | Very high | 100 Ų | 100 | 36.6 Ų | 36.6 | 49% | 0.493 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -87.1 | -11.8 | 174.7 | -62.6 | 170.6 | 71.9 | 0 | 0 | 113.3 | Q156 H157 L158 I213 Y217 | Q156-M160 WeakPolarHBondContact O-CG 3.4Å; Q156-M160 PolarHBondContact O-N 3.47Å; H157-M160 CarbonylContact O-C 3.6Å; H157-M160 PolarHBondContact O-N 3.04Å; L158-M160 PolarHBondContact O-N 3.43Å; M160-I213 HydrophobicContact CG-CG2 4.32Å; M160-I213 HydrophobicContact SD-CG2 4.35Å; M160-Y217 HydrophobicContact CG-CD2 4.15Å; M160-Y217 HydrophobicContact CG-CE1 4.45Å; M160-Y217 HydrophobicContact CG-CE2 3.56Å; M160-Y217 HydrophobicContact SD-CE2 4.42Å |
| 161 | S | 96.1 | Very high | 97.2 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -75.1 | -27.3 | -167.9 | 65.2 | 0 | 0 | 0 | 0 | 115.2 | I125 H157 L158 | I125-S161 VanDerWaalsContact CD1-OG 3.29Å; I125-S161 WeakPolarHBondContact CD1-OG 3.48Å; H157-S161 VanDerWaalsContact O-CB 3.31Å; H157-S161 WeakPolarHBondContact O-CB 3.28Å; H157-S161 PolarHBondContact O-N 2.92Å; L158-S161 WeakPolarHBondContact O-CB 3.25Å; L158-S161 PolarHBondContact O-N 3.25Å; L158-S161 PolarHBondContact O-OG 3.16Å |
| 162 | A | 94.8 | Very high | 97.1 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 17% | 0.174 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -157.5 | 154.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G122 G164 V165 | G122-A162 WeakPolarHBondContact O-CB 3.28Å; A162-G164 PolarHBondContact O-N 2.93Å; A162-V165 HydrophobicContact CB-CG2 3.8Å; A162-V165 WeakPolarHBondContact O-CG2 3.4Å; A162-V165 PolarHBondContact O-N 3.34Å |
| 163 | E | 93.9 | Very high | 97 | Very high | 192 Ų | 192 | 42.4 Ų | 42.4 | 90% | 0.897 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 137.5 | 177.2 | -169.8 | 178.1 | 177.8 | 0 | 0 | 111.4 | V165 | E163-V165 PolarHBondContact O-N 2.88Š|
| 164 | G | 94.9 | Very high | 96.8 | Very high | 32 Ų | 32 | 41.3 Ų | 41.3 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | -9.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A162 G166 I167 A168 | A162-G164 PolarHBondContact O-N 2.93Å; G164-G166 PolarHBondContact O-N 2.89Å; G164-I167 PolarHBondContact O-N 2.93Å; G164-A168 VanDerWaalsContact O-CB 3.3Å; G164-A168 WeakPolarHBondContact O-CB 3.18Å; G164-A168 PolarHBondContact O-N 3.16Å |
| 165 | V | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 179 | 177 | 0 | 0 | 0 | 0 | 111.7 | I125 L126 L129 L158 A162 E163 A168 L169 | I125-V165 HydrophobicContact CG2-CG2 4.23Å; L126-V165 HydrophobicContact CB-CG2 4.49Å; L126-V165 HydrophobicContact CD1-CG2 4.11Å; L129-V165 HydrophobicContact CD1-CG1 4.01Å; L129-V165 HydrophobicContact CD2-CG1 4.45Å; L158-V165 HydrophobicContact CD1-CG1 4.07Å; L158-V165 HydrophobicContact CG-CG1 4.07Å; L158-V165 VanDerWaalsContact O-CG1 3.32Å; L158-V165 WeakPolarHBondContact O-CG1 3.24Å; A162-V165 HydrophobicContact CB-CG2 3.8Å; A162-V165 WeakPolarHBondContact O-CG2 3.4Å; A162-V165 PolarHBondContact O-N 3.34Å; E163-V165 PolarHBondContact O-N 2.88Å; V165-A168 PolarHBondContact O-N 3.04Å; V165-L169 WeakPolarHBondContact O-CB 3.36Å; V165-L169 PolarHBondContact O-N 3.27Å |
| 166 | G | 96.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G164 A168 L169 V170 Y217 | G164-G166 PolarHBondContact O-N 2.89Å; G166-A168 PolarHBondContact O-N 3.32Å; G166-L169 WeakPolarHBondContact O-CB 3.4Å; G166-L169 PolarHBondContact O-N 2.73Å; G166-L169 VanDerWaalsContact O-N 3.13Å; G166-V170 PolarHBondContact O-N 2.99Å; G166-Y217 CarbonylContact C-O 3.42Å; G166-Y217 WeakPolarHBondContact CA-O 3.45Å |
| 167 | I | 97.2 | Very high | 96 | Very high | 108 Ų | 108 | 42.8 Ų | 42.8 | 55% | 0.554 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.8 | -45.9 | 177.1 | -60 | 173.7 | 0 | 0 | 0 | 110.7 | G164 L169 V170 Y217 | G164-I167 PolarHBondContact O-N 2.93Å; I167-L169 PolarHBondContact O-N 3.49Å; I167-V170 WeakPolarHBondContact O-CB 3.46Å; I167-V170 WeakPolarHBondContact O-CG2 3.38Å; I167-V170 PolarHBondContact O-N 3.25Å; I167-Y217 PolarHBondContact N-O 2.97Å |
| 168 | A | 97.5 | Very high | 95.6 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.6 | -19.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L126 L129 G164 V165 G166 P171 Y172 | L126-A168 HydrophobicContact CD1-CB 3.5Å; L126-A168 VanDerWaalsContact CD1-CB 3.5Å; L129-A168 VanDerWaalsContact CD2-C 3.45Å; L129-A168 HydrophobicContact CD2-CB 3.57Å; G164-A168 VanDerWaalsContact O-CB 3.3Å; G164-A168 WeakPolarHBondContact O-CB 3.18Å; G164-A168 PolarHBondContact O-N 3.16Å; V165-A168 PolarHBondContact O-N 3.04Å; G166-A168 PolarHBondContact O-N 3.32Å; A168-P171 WeakPolarHBondContact O-CD 3.44Å; A168-Y172 WeakPolarHBondContact O-CD2 3.47Å; A168-Y172 WeakPolarHBondContact O-CE2 3.31Å |
| 169 | L | 97.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79.2 | -25.6 | 176.5 | -171.4 | 64.3 | 0 | 0 | 0 | 112.4 | L129 I133 V159 V165 G166 I167 P171 Y172 L173 I176 L214 | L129-L169 HydrophobicContact CD1-CD1 4.1Å; L129-L169 HydrophobicContact CD2-CB 4.2Å; L129-L169 HydrophobicContact CG-CD1 4.4Å; I133-L169 HydrophobicContact CD1-CD1 3.59Å; V159-L169 HydrophobicContact CG1-CD2 3.46Å; V159-L169 VanDerWaalsContact CG1-CD2 3.46Å; V165-L169 WeakPolarHBondContact O-CB 3.36Å; V165-L169 PolarHBondContact O-N 3.27Å; G166-L169 WeakPolarHBondContact O-CB 3.4Å; G166-L169 PolarHBondContact O-N 2.73Å; G166-L169 VanDerWaalsContact O-N 3.13Å; I167-L169 PolarHBondContact O-N 3.49Å; L169-P171 VanDerWaalsContact C-CD 3.43Å; L169-Y172 WeakPolarHBondContact O-CA 3.38Å; L169-Y172 WeakPolarHBondContact O-CB 3.43Å; L169-Y172 PolarHBondContact O-N 3.13Å; L169-L173 HydrophobicContact CD2-CD2 4.47Å; L169-L173 HydrophobicContact CG-CD2 4.34Å; L169-L173 PolarHBondContact O-N 3.46Å; L169-I176 HydrophobicContact CD1-CD1 4.17Å; L169-L214 HydrophobicContact CD2-CD2 3.7Å |
| 170 | V | 97.1 | Very high | 94.5 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -49.6 | -45.7 | -175.1 | 176.9 | 0 | 0 | 0 | 0 | 113.9 | G166 I167 Y172 L173 G218 E221 A222 Q225 | G166-V170 PolarHBondContact O-N 2.99Å; I167-V170 WeakPolarHBondContact O-CB 3.46Å; I167-V170 WeakPolarHBondContact O-CG2 3.38Å; I167-V170 PolarHBondContact O-N 3.25Å; V170-Y172 PolarHBondContact O-N 3.21Å; V170-Y172 VanDerWaalsContact O-N 3.1Å; V170-L173 HydrophobicContact CG2-CD1 4.49Å; V170-L173 WeakPolarHBondContact O-CB 3.26Å; V170-L173 PolarHBondContact O-N 3.17Å; V170-L173 VanDerWaalsContact O-N 3.17Å; V170-G218 WeakPolarHBondContact CG2-O 3.37Å; V170-E221 HydrophobicContact CG1-CB 4.41Å; V170-A222 HydrophobicContact CG2-CB 3.94Å; V170-Q225 HydrophobicContact CG1-CB 4.39Å; V170-Q225 HydrophobicContact CG1-CG 3.74Å |
| 171 | P | 96.7 | Very high | 94.1 | Very high | 86 Ų | 86 | 42.4 Ų | 42.4 | 56% | 0.558 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -60.8 | -22.7 | 178.8 | -23.2 | 35.2 | 0 | 0 | 0 | 114 | A168 L169 | A168-P171 WeakPolarHBondContact O-CD 3.44Å; L169-P171 VanDerWaalsContact C-CD 3.43Å |
| 172 | Y | 96.6 | Very high | 93.7 | Very high | 64 Ų | 64 | 43.6 Ų | 43.6 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -96.6 | -7.5 | -177.2 | -53.5 | -76.1 | 0 | 0 | 0 | 113.4 | I133 A168 L169 V170 K174 Q175 | I133-Y172 HydrophobicContact CD1-CD1 4.21Å; I133-Y172 HydrophobicContact CD1-CD2 3.92Å; I133-Y172 HydrophobicContact CD1-CG 3.62Å; I133-Y172 HydrophobicContact CG1-CD1 3.71Å; I133-Y172 HydrophobicContact CG1-CD2 4.22Å; I133-Y172 HydrophobicContact CG1-CE1 4.28Å; I133-Y172 HydrophobicContact CG1-CG 3.67Å; I133-Y172 HydrophobicContact CG2-CD1 4.35Å; A168-Y172 WeakPolarHBondContact O-CD2 3.47Å; A168-Y172 WeakPolarHBondContact O-CE2 3.31Å; L169-Y172 WeakPolarHBondContact O-CA 3.38Å; L169-Y172 WeakPolarHBondContact O-CB 3.43Å; L169-Y172 PolarHBondContact O-N 3.13Å; V170-Y172 PolarHBondContact O-N 3.21Å; V170-Y172 VanDerWaalsContact O-N 3.1Å; Y172-K174 PolarHBondContact O-N 3.33Å; Y172-K174 VanDerWaalsContact O-N 3.16Å; Y172-Q175 WeakPolarHBondContact O-CA 3.4Å; Y172-Q175 WeakPolarHBondContact O-CB 3.45Å; Y172-Q175 PolarHBondContact O-N 2.89Å |
| 173 | L | 95.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.2 | -35.2 | -178.4 | -70 | -179.5 | 0 | 0 | 0 | 112.8 | L169 V170 Q175 I176 L177 L214 Q225 I226 | L169-L173 HydrophobicContact CD2-CD2 4.47Å; L169-L173 HydrophobicContact CG-CD2 4.34Å; L169-L173 PolarHBondContact O-N 3.46Å; V170-L173 HydrophobicContact CG2-CD1 4.49Å; V170-L173 WeakPolarHBondContact O-CB 3.26Å; V170-L173 PolarHBondContact O-N 3.17Å; V170-L173 VanDerWaalsContact O-N 3.17Å; L173-Q175 PolarHBondContact O-N 2.81Å; L173-I176 PolarHBondContact O-N 3.38Å; L173-L177 HydrophobicContact CB-CD1 3.86Å; L173-L177 HydrophobicContact CB-CG 4.1Å; L173-L177 HydrophobicContact CD2-CD1 4.49Å; L173-L177 HydrophobicContact CD2-CD2 4.49Å; L173-L177 HydrophobicContact CD2-CG 4.4Å; L173-L177 WeakPolarHBondContact O-CB 3.33Å; L173-L177 VanDerWaalsContact O-CG 3.3Å; L173-L177 WeakPolarHBondContact O-CG 3.43Å; L173-L177 PolarHBondContact O-N 3.35Å; L173-L214 HydrophobicContact CD2-CD1 4Å; L173-L214 HydrophobicContact CD2-CD2 4.15Å; L173-Q225 HydrophobicContact CB-CB 4.5Å; L173-Q225 HydrophobicContact CD1-CB 4.25Å; L173-I226 HydrophobicContact CD1-CG1 4.06Å |
| 174 | K | 93.7 | Very high | 92.9 | Very high | 103 Ų | 103 | 34.2 Ų | 34.2 | 45% | 0.448 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.5 | -27.3 | 173.8 | -66.2 | -162.3 | -177.8 | -176.2 | 0 | 113.9 | Y172 P178 M229 | Y172-K174 PolarHBondContact O-N 3.33Å; Y172-K174 VanDerWaalsContact O-N 3.16Å; K174-P178 WeakPolarHBondContact O-CD 3.44Å; K174-P178 WeakPolarHBondContact O-CG 3.48Å; K174-M229 VanDerWaalsContact CA-CE 3.49Å; K174-M229 HydrophobicContact CB-CE 3.39Å; K174-M229 HydrophobicContact CD-CE 3.91Å; K174-M229 HydrophobicContact CG-CE 3.53Å; K174-M229 HydrophobicContact CG-CG 4.39Å |
| 175 | Q | 92.8 | Very high | 92.3 | Very high | 64 Ų | 64 | 38.8 Ų | 38.8 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -83.9 | -28.6 | -179.8 | -60.8 | -162.3 | 41.3 | 0 | 0 | 113 | I133 R137 Y172 L173 | I133-Q175 HydrophobicContact CG2-CB 3.97Å; I133-Q175 HydrophobicContact CG2-CG 4.47Å; R137-Q175 PolarHBondContact NE-O 3.29Å; Y172-Q175 WeakPolarHBondContact O-CA 3.4Å; Y172-Q175 WeakPolarHBondContact O-CB 3.45Å; Y172-Q175 PolarHBondContact O-N 2.89Å; L173-Q175 PolarHBondContact O-N 2.81Å |
| 176 | I | 92.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -100.5 | -45.4 | -169 | -60.2 | 171.3 | 0 | 0 | 0 | 110.9 | I133 I136 I155 L169 L173 V179 F180 | I133-I176 HydrophobicContact CD1-CD1 4.27Å; I133-I176 HydrophobicContact CG2-CD1 4.45Å; I133-I176 HydrophobicContact CG2-CG1 4.36Å; I136-I176 HydrophobicContact CG2-CD1 4.19Å; I136-I176 HydrophobicContact CG2-CG1 4.29Å; I136-I176 HydrophobicContact CG2-CG2 4.01Å; I155-I176 HydrophobicContact CD1-CG2 4.22Å; L169-I176 HydrophobicContact CD1-CD1 4.17Å; L173-I176 PolarHBondContact O-N 3.38Å; I176-V179 PolarHBondContact O-N 3.45Å; I176-F180 HydrophobicContact CG2-CD1 4.44Å; I176-F180 HydrophobicContact CG2-CE1 3.68Å; I176-F180 HydrophobicContact CG2-CZ 4.1Å |
| 177 | L | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.7 | -23.6 | -170.9 | -63 | -173.6 | 0 | 0 | 0 | 116.9 | L173 V179 F180 N181 L211 L214 I226 M229 V230 | L173-L177 HydrophobicContact CB-CD1 3.86Å; L173-L177 HydrophobicContact CB-CG 4.1Å; L173-L177 HydrophobicContact CD2-CD1 4.49Å; L173-L177 HydrophobicContact CD2-CD2 4.49Å; L173-L177 HydrophobicContact CD2-CG 4.4Å; L173-L177 WeakPolarHBondContact O-CB 3.33Å; L173-L177 VanDerWaalsContact O-CG 3.3Å; L173-L177 WeakPolarHBondContact O-CG 3.43Å; L173-L177 PolarHBondContact O-N 3.35Å; L177-V179 PolarHBondContact O-N 2.92Å; L177-V179 VanDerWaalsContact O-N 3.11Å; L177-F180 HydrophobicContact CD2-CB 4.49Å; L177-F180 HydrophobicContact CD2-CD1 4.42Å; L177-F180 HydrophobicContact CD2-CD2 3.67Å; L177-F180 HydrophobicContact CD2-CE2 3.88Å; L177-F180 HydrophobicContact CD2-CG 3.97Å; L177-F180 HydrophobicContact CD2-CZ 4.36Å; L177-F180 WeakPolarHBondContact O-CA 3.43Å; L177-F180 VanDerWaalsContact O-CB 3.32Å; L177-F180 WeakPolarHBondContact O-CB 3.18Å; L177-F180 PolarHBondContact O-N 2.87Å; L177-N181 PolarHBondContact O-N 3.05Å; L177-N181 VanDerWaalsContact O-N 3.1Å; L177-L211 HydrophobicContact CD1-CD2 4.48Å; L177-L211 HydrophobicContact CD2-CD2 3.7Å; L177-L214 HydrophobicContact CD2-CD1 4.14Å; L177-I226 HydrophobicContact CD1-CB 4.28Å; L177-I226 HydrophobicContact CD1-CG1 3.89Å; L177-M229 HydrophobicContact CB-CB 3.79Å; L177-M229 HydrophobicContact CB-CG 4.38Å; L177-M229 HydrophobicContact CD1-CB 4.1Å; L177-V230 HydrophobicContact CB-CG2 4.24Å |
| 178 | P | 91.8 | Very high | 88.7 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 42% | 0.422 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.3 | -32.7 | 176.8 | -30 | 37 | 0 | 0 | 0 | 113.9 | K174 L182 M229 | K174-P178 WeakPolarHBondContact O-CD 3.44Å; K174-P178 WeakPolarHBondContact O-CG 3.48Å; P178-L182 PolarHBondContact O-N 2.67Å; P178-M229 HydrophobicContact CG-SD 4.27Å |
| 179 | V | 86.7 | Confident | 87 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.8 | -31.9 | 176.3 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | M140 N141 M148 I176 L177 L182 F183 | M140-V179 HydrophobicContact CB-CB 4.08Å; M140-V179 HydrophobicContact CB-CG1 3.96Å; M140-V179 HydrophobicContact CB-CG2 4.22Å; M140-V179 HydrophobicContact CE-CG1 4.2Å; N141-V179 VanDerWaalsContact OD1-CG2 3.28Å; N141-V179 WeakPolarHBondContact OD1-CG2 3.44Å; M148-V179 HydrophobicContact CE-CG1 4.13Å; I176-V179 PolarHBondContact O-N 3.45Å; L177-V179 PolarHBondContact O-N 2.92Å; L177-V179 VanDerWaalsContact O-N 3.11Å; V179-L182 PolarHBondContact O-N 2.93Å; V179-F183 HydrophobicContact CG1-CD2 4.24Å; V179-F183 HydrophobicContact CG1-CE2 4.28Å; V179-F183 WeakPolarHBondContact O-CD2 3.45Å; V179-F183 PolarHBondContact O-N 3.07Å |
| 180 | F | 86.4 | Confident | 85 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 176.7 | -72.3 | 36.8 | 0 | 0 | 0 | 109.5 | M140 L152 I155 I176 L177 L182 F183 K184 I207 T210 L211 L214 | M140-F180 HydrophobicContact CE-CD1 3.68Å; M140-F180 HydrophobicContact CE-CE1 3.59Å; M140-F180 HydrophobicContact CG-CE1 4.39Å; M140-F180 HydrophobicContact SD-CE1 4.28Å; L152-F180 HydrophobicContact CD2-CD1 4.4Å; L152-F180 HydrophobicContact CD2-CD2 4.2Å; L152-F180 HydrophobicContact CD2-CE1 3.75Å; L152-F180 HydrophobicContact CD2-CE2 3.52Å; L152-F180 HydrophobicContact CD2-CZ 3.26Å; I155-F180 HydrophobicContact CD1-CE1 4.22Å; I155-F180 HydrophobicContact CD1-CZ 3.79Å; I176-F180 HydrophobicContact CG2-CD1 4.44Å; I176-F180 HydrophobicContact CG2-CE1 3.68Å; I176-F180 HydrophobicContact CG2-CZ 4.1Å; L177-F180 HydrophobicContact CD2-CB 4.49Å; L177-F180 HydrophobicContact CD2-CD1 4.42Å; L177-F180 HydrophobicContact CD2-CD2 3.67Å; L177-F180 HydrophobicContact CD2-CE2 3.88Å; L177-F180 HydrophobicContact CD2-CG 3.97Å; L177-F180 HydrophobicContact CD2-CZ 4.36Å; L177-F180 WeakPolarHBondContact O-CA 3.43Å; L177-F180 VanDerWaalsContact O-CB 3.32Å; L177-F180 WeakPolarHBondContact O-CB 3.18Å; L177-F180 PolarHBondContact O-N 2.87Å; F180-L182 PolarHBondContact O-N 3.46Å; F180-F183 CarbonylContact O-C 3.59Å; F180-F183 PolarHBondContact O-N 3.42Å; F180-K184 WeakPolarHBondContact O-CB 3.45Å; F180-K184 PolarHBondContact O-N 3.35Å; F180-I207 HydrophobicContact CB-CG2 4Å; F180-I207 HydrophobicContact CD2-CG2 4.03Å; F180-I207 HydrophobicContact CG-CG2 4.34Å; F180-T210 HydrophobicContact CE2-CG2 3.78Å; F180-T210 HydrophobicContact CZ-CG2 4.18Å; F180-L211 HydrophobicContact CD2-CD2 3.86Å; F180-L211 HydrophobicContact CD2-CG 4.2Å; F180-L211 HydrophobicContact CE2-CD2 4.37Å; F180-L214 HydrophobicContact CE2-CD1 4.28Å |
| 181 | N | 87.8 | Confident | 83.5 | Confident | 63 Ų | 63 | 59 Ų | 59 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.2 | -37.6 | 179.1 | -167.9 | 33.6 | 0 | 0 | 0 | 112.2 | L177 F183 V230 | L177-N181 PolarHBondContact O-N 3.05Å; L177-N181 VanDerWaalsContact O-N 3.1Å; N181-F183 VanDerWaalsContact C-N 3.32Å; N181-F183 PolarHBondContact O-N 2.72Å; N181-V230 HydrophobicContact CB-CG2 4.25Å |
| 182 | L | 87.6 | Confident | 81.9 | Confident | 49 Ų | 49 | 63 Ų | 63 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.9 | -35.6 | 178.4 | -178.4 | 60.7 | 0 | 0 | 0 | 112.7 | V44 F45 P178 V179 F180 | V44-L182 HydrophobicContact CG1-CD1 3.53Å; V44-L182 HydrophobicContact CG1-CD2 3.67Å; V44-L182 HydrophobicContact CG1-CG 4.26Å; F45-L182 HydrophobicContact CD1-CD1 4.09Å; F45-L182 HydrophobicContact CD1-CG 4.12Å; F45-L182 HydrophobicContact CE1-CD1 3.36Å; F45-L182 HydrophobicContact CE1-CD2 4.48Å; F45-L182 HydrophobicContact CE1-CG 3.66Å; F45-L182 WeakPolarHBondContact CE1-O 3.33Å; F45-L182 HydrophobicContact CZ-CD1 3.61Å; F45-L182 HydrophobicContact CZ-CG 4.41Å; P178-L182 PolarHBondContact O-N 2.67Å; V179-L182 PolarHBondContact O-N 2.93Å; F180-L182 PolarHBondContact O-N 3.46Å |
| 183 | F | 87.5 | Confident | 80.4 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -106.1 | -6.6 | -174 | -72 | -97.9 | 0 | 0 | 0 | 114.4 | F45 K143 M148 V179 F180 N181 N185 K186 I203 I207 | F45-F183 HydrophobicContact CD1-CE1 4.33Å; F45-F183 HydrophobicContact CD1-CZ 4.29Å; K143-F183 HydrophobicContact CB-CE2 4.39Å; K143-F183 HydrophobicContact CB-CZ 3.8Å; K143-F183 HydrophobicContact CD-CE2 4.44Å; K143-F183 HydrophobicContact CD-CZ 4.27Å; K143-F183 HydrophobicContact CG-CE2 3.91Å; K143-F183 HydrophobicContact CG-CZ 3.78Å; M148-F183 HydrophobicContact CE-CB 3.97Å; M148-F183 HydrophobicContact CE-CD1 4.02Å; M148-F183 HydrophobicContact CE-CD2 3.42Å; M148-F183 VanDerWaalsContact CE-CD2 3.42Å; M148-F183 HydrophobicContact CE-CE1 4.39Å; M148-F183 HydrophobicContact CE-CE2 3.83Å; M148-F183 HydrophobicContact CE-CG 3.55Å; M148-F183 HydrophobicContact CE-CZ 4.31Å; M148-F183 HydrophobicContact SD-CD1 4.26Å; M148-F183 HydrophobicContact SD-CD2 4.25Å; M148-F183 HydrophobicContact SD-CE1 4.13Å; M148-F183 HydrophobicContact SD-CE2 4.11Å; M148-F183 HydrophobicContact SD-CG 4.35Å; M148-F183 HydrophobicContact SD-CZ 4.07Å; V179-F183 HydrophobicContact CG1-CD2 4.24Å; V179-F183 HydrophobicContact CG1-CE2 4.28Å; V179-F183 WeakPolarHBondContact O-CD2 3.45Å; V179-F183 PolarHBondContact O-N 3.07Å; F180-F183 CarbonylContact O-C 3.59Å; F180-F183 PolarHBondContact O-N 3.42Å; N181-F183 VanDerWaalsContact C-N 3.32Å; N181-F183 PolarHBondContact O-N 2.72Å; F183-N185 PolarHBondContact O-N 2.69Å; F183-N185 VanDerWaalsContact O-N 3.16Å; F183-K186 HydrophobicContact CD1-CD 3.79Å; F183-K186 HydrophobicContact CD1-CG 4.44Å; F183-K186 HydrophobicContact CE1-CD 4.25Å; F183-K186 WeakPolarHBondContact O-CB 3.43Å; F183-K186 PolarHBondContact O-N 3.41Å; F183-I203 HydrophobicContact CB-CD1 4.5Å; F183-I203 HydrophobicContact CD1-CD1 4.4Å; F183-I207 HydrophobicContact CB-CD1 3.61Å |
| 184 | K | 84.1 | Confident | 78.7 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 4% | 0.039 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -42.3 | -176.9 | -176.1 | 177.4 | 177.4 | 164.8 | 0 | 113.2 | F180 K186 G204 I207 E208 V230 T232 Y233 | F180-K184 WeakPolarHBondContact O-CB 3.45Å; F180-K184 PolarHBondContact O-N 3.35Å; K184-K186 VanDerWaalsContact C-N 3.31Å; K184-K186 PolarHBondContact O-N 3.47Å; K184-G204 WeakPolarHBondContact O-CA 3.23Å; K184-I207 HydrophobicContact CB-CG2 4.27Å; K184-I207 HydrophobicContact CG-CG2 4.33Å; K184-E208 WeakPolarHBondContact CE-OE2 3.3Å; K184-E208 IonicContact NZ-OE1 3.12Å; K184-E208 IonicContact NZ-OE2 2.95Å; K184-E208 PolarHBondContact NZ-OE2 3.24Å; K184-V230 HydrophobicContact CD-CG1 3.7Å; K184-T232 PolarHBondContact NZ-O 3.01Å; K184-Y233 VanDerWaalsContact NZ-CA 3.28Å |
| 185 | N | 82.1 | Confident | 77 | Confident | 127 Ų | 127 | 71 Ų | 71 | 68% | 0.679 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 2.5 | -177.3 | -63.1 | -19.3 | 0 | 0 | 0 | 113.7 | F183 K187 | F183-N185 PolarHBondContact O-N 2.69Å; F183-N185 VanDerWaalsContact O-N 3.16Å; N185-K187 PolarHBondContact O-N 2.94Å |
| 186 | K | 77.6 | Confident | 75.2 | Confident | 91 Ų | 91 | 71.2 Ų | 71.2 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | trans | -79.3 | 62.9 | 173 | -68.9 | -155.4 | -177.4 | -178.9 | 0 | 110.8 | F45 F183 K184 I203 G204 | F45-K186 VanDerWaalsContact CD1-CE 3.42Å; F183-K186 HydrophobicContact CD1-CD 3.79Å; F183-K186 HydrophobicContact CD1-CG 4.44Å; F183-K186 HydrophobicContact CE1-CD 4.25Å; F183-K186 WeakPolarHBondContact O-CB 3.43Å; F183-K186 PolarHBondContact O-N 3.41Å; K184-K186 VanDerWaalsContact C-N 3.31Å; K184-K186 PolarHBondContact O-N 3.47Å; K186-I203 HydrophobicContact CB-CG2 3.91Å; K186-G204 PolarHBondContact O-N 3.23Å | ||
| 187 | K | 74.7 | Confident | 73.3 | Confident | 98 Ų | 98 | 83.2 Ų | 83.2 | 43% | 0.426 | 44% | 0.438 | S | S | . | . | trans | -85.1 | 150.2 | 171 | -62.5 | -168.3 | 175 | -164.9 | 0 | 109.8 | N185 N189 D205 | N185-K187 PolarHBondContact O-N 2.94Å; K187-N189 PolarHBondContact O-N 2.93Å; K187-D205 IonicContact NZ-OD1 3.9Å | ||
| 188 | R | 65.3 | Low | 71.2 | Confident | 105 Ų | 105 | 94.6 Ų | 94.6 | 40% | 0.396 | 48% | 0.481 | S | S | . | . | trans | -76.2 | 112.3 | 175.5 | -168.7 | 170.1 | 69.4 | 141.9 | 8.5 | 107.7 | I190 E195 E199 | R188-I190 HydrophobicContact CB-CG1 4.34Å; R188-I190 HydrophobicContact CG-CD1 4.24Å; R188-I190 HydrophobicContact CG-CG1 3.76Å; R188-I190 VanDerWaalsContact NE-CD1 3.34Å; R188-I190 PolarHBondContact O-N 3.14Å; R188-E195 IonicContact CZ-OE1 3.58Å; R188-E195 IonicContact NE-OE1 2.69Å; R188-E195 IonicContact NH2-OE1 2.72Å; R188-E195 PolarHBondContact NH2-OE1 3.29Å; R188-E199 IonicContact CZ-OE2 3.88Å; R188-E199 VanDerWaalsContact CZ-OE2 3.23Å; R188-E199 IonicContact NH1-OE2 3.53Å; R188-E199 PolarHBondContact NH1-OE2 3.25Å; R188-E199 VanDerWaalsContact NH2-CB 3.34Å; R188-E199 IonicContact NH2-OE2 2.88Å; R188-E199 PolarHBondContact NH2-OE2 3.02Å | ||
| 189 | N | 60.6 | Low | 69.4 | Low | 157 Ų | 157 | 96.2 Ų | 96.2 | 84% | 0.84 | 48% | 0.483 | S | S | * | . | trans | -84.3 | 108.5 | 174.2 | -71.6 | -12.2 | 0 | 0 | 0 | 108.7 | K187 | K187-N189 PolarHBondContact O-N 2.93Š| ||
| 190 | I | 56.2 | Low | 68.1 | Low | 63 Ų | 63 | 104.6 Ų | 104.6 | 32% | 0.323 | 52% | 0.518 | S | S | . | . | trans | -101.8 | -3.7 | -173.3 | -55.9 | 164.6 | 0 | 0 | 0 | 112.2 | R188 A193 | R188-I190 HydrophobicContact CB-CG1 4.34Å; R188-I190 HydrophobicContact CG-CD1 4.24Å; R188-I190 HydrophobicContact CG-CG1 3.76Å; R188-I190 VanDerWaalsContact NE-CD1 3.34Å; R188-I190 PolarHBondContact O-N 3.14Å; I190-A193 HydrophobicContact CG2-CB 3.75Å; I190-A193 WeakPolarHBondContact CG2-O 3.42Å | ||
| 191 | G | 65.3 | Low | 67.4 | Low | 71 Ų | 71 | 108.2 Ų | 108.2 | 73% | 0.732 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -135.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 192 | D | 62.9 | Low | 67.3 | Low | 171 Ų | 171 | 105.9 Ų | 105.9 | 91% | 0.914 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 4.2 | -176.5 | -61.2 | -31.6 | 0 | 0 | 0 | 114.5 | ||
| 193 | A | 64.8 | Low | 67.4 | Low | 67 Ų | 67 | 103.9 Ų | 103.9 | 55% | 0.554 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 124.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I190 E195 | I190-A193 HydrophobicContact CG2-CB 3.75Å; I190-A193 WeakPolarHBondContact CG2-O 3.42Å; A193-E195 PolarHBondContact O-N 3.27Å |
| 194 | I | 60.5 | Low | 67.6 | Low | 170 Ų | 170 | 103.5 Ų | 103.5 | 87% | 0.872 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 121.5 | 177 | -60.2 | 173.7 | 0 | 0 | 0 | 108.9 | S196 | I194-S196 PolarHBondContact O-N 3.04Š|
| 195 | E | 56.8 | Low | 67.9 | Low | 100 Ų | 100 | 106.1 Ų | 106.1 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -69 | 124.3 | -179.4 | -173.9 | 169.8 | -121.3 | 0 | 0 | 111.1 | R188 A193 R197 E199 | R188-E195 IonicContact CZ-OE1 3.58Å; R188-E195 IonicContact NE-OE1 2.69Å; R188-E195 IonicContact NH2-OE1 2.72Å; R188-E195 PolarHBondContact NH2-OE1 3.29Å; A193-E195 PolarHBondContact O-N 3.27Å; E195-R197 PolarHBondContact O-N 3.34Å; E195-E199 HydrophobicContact CG-CB 4.4Å |
| 196 | S | 55.2 | Low | 68.4 | Low | 69 Ų | 69 | 100.2 Ų | 100.2 | 48% | 0.483 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 126.4 | 159.5 | 72.2 | 0 | 0 | 0 | 0 | 107.8 | I194 R198 E199 | I194-S196 PolarHBondContact O-N 3.04Å; S196-R198 PolarHBondContact O-N 3.4Å; S196-E199 PolarHBondContact O-N 2.89Å |
| 197 | R | 51.8 | Low | 69.3 | Low | 254 Ų | 254 | 95.9 Ų | 95.9 | 96% | 0.958 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 2 | -175.9 | -155.7 | 178.4 | -171.6 | 178.2 | 3.5 | 116 | E195 | E195-R197 PolarHBondContact O-N 3.34Š|
| 198 | R | 49.3 | Very low | 70.2 | Confident | 239 Ų | 239 | 92.8 Ų | 92.8 | 90% | 0.902 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -9.8 | -180 | -68.4 | -177.7 | 175.8 | 163.4 | -0.9 | 113.5 | S196 | S196-R198 PolarHBondContact O-N 3.4Š|
| 199 | E | 54.3 | Low | 71.6 | Confident | 98 Ų | 98 | 91.5 Ų | 91.5 | 46% | 0.458 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -82 | 140.1 | 179 | -68.4 | -169.1 | 171.8 | 0 | 0 | 112.1 | R188 E195 S196 E201 | R188-E199 IonicContact CZ-OE2 3.88Å; R188-E199 VanDerWaalsContact CZ-OE2 3.23Å; R188-E199 IonicContact NH1-OE2 3.53Å; R188-E199 PolarHBondContact NH1-OE2 3.25Å; R188-E199 VanDerWaalsContact NH2-CB 3.34Å; R188-E199 IonicContact NH2-OE2 2.88Å; R188-E199 PolarHBondContact NH2-OE2 3.02Å; E195-E199 HydrophobicContact CG-CB 4.4Å; S196-E199 PolarHBondContact O-N 2.89Å; E199-E201 PolarHBondContact O-N 3.29Å |
| 200 | K | 60.3 | Low | 73.3 | Confident | 187 Ų | 187 | 84 Ų | 84 | 81% | 0.813 | 42% | 0.421 | S | S | * | . | trans | -56.8 | 120.5 | -164.3 | -67.5 | 169 | 178.2 | 172.5 | 0 | 112.3 | S202 | K200-S202 PolarHBondContact O-N 3.37Š| ||
| 201 | E | 70.1 | Confident | 75.2 | Confident | 77 Ų | 77 | 81 Ų | 81 | 36% | 0.36 | 41% | 0.406 | S | S | . | . | trans | -38.9 | 127.3 | 164.6 | -176.6 | -177.5 | -150.9 | 0 | 0 | 111.5 | R153 E199 D205 L206 | R153-E201 IonicContact NH2-OE2 2.76Å; E199-E201 PolarHBondContact O-N 3.29Å; E201-D205 HydrophobicContact CG-CB 3.98Å; E201-L206 HydrophobicContact CG-CB 4.29Å | ||
| 202 | S | 86.2 | Confident | 76.6 | Confident | 13 Ų | 13 | 81 Ų | 81 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | trans | -72.6 | 156.2 | 178.5 | 83.7 | 0 | 0 | 0 | 0 | 110.4 | K200 G204 D205 L206 | K200-S202 PolarHBondContact O-N 3.37Å; S202-G204 PolarHBondContact O-N 3.46Å; S202-G204 PolarHBondContact OG-N 3.03Å; S202-D205 VanDerWaalsContact CB-OD2 3.27Å; S202-D205 WeakPolarHBondContact CB-OD2 3.33Å; S202-D205 PolarHBondContact N-OD2 2.95Å; S202-D205 PolarHBondContact O-N 2.82Å; S202-D205 VanDerWaalsContact O-N 3.09Å; S202-D205 PolarHBondContact OG-N 2.85Å; S202-D205 PolarHBondContact OG-OD2 3.08Å; S202-L206 PolarHBondContact O-N 3.06Å | ||
| 203 | I | 89.8 | Confident | 78.2 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 4% | 0.041 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -30.2 | 175.8 | -167.1 | 169.1 | 0 | 0 | 0 | 111.9 | M148 L152 F183 K186 I207 | M148-I203 HydrophobicContact CB-CD1 3.69Å; M148-I203 HydrophobicContact CE-CD1 3.53Å; M148-I203 HydrophobicContact CG-CD1 4.36Å; M148-I203 HydrophobicContact SD-CD1 3.71Å; L152-I203 HydrophobicContact CD1-CG1 4.26Å; F183-I203 HydrophobicContact CB-CD1 4.5Å; F183-I203 HydrophobicContact CD1-CD1 4.4Å; K186-I203 HydrophobicContact CB-CG2 3.91Å; I203-I207 HydrophobicContact CG1-CD1 4.08Å; I203-I207 HydrophobicContact CG1-CG1 4.46Å; I203-I207 WeakPolarHBondContact O-CB 3.26Å; I203-I207 WeakPolarHBondContact O-CD1 3.31Å; I203-I207 WeakPolarHBondContact O-CG1 3.5Å; I203-I207 PolarHBondContact O-N 3.33Å |
| 204 | G | 91.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66 | -39 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K184 K186 S202 I207 E208 | K184-G204 WeakPolarHBondContact O-CA 3.23Å; K186-G204 PolarHBondContact O-N 3.23Å; S202-G204 PolarHBondContact O-N 3.46Å; S202-G204 PolarHBondContact OG-N 3.03Å; G204-I207 PolarHBondContact O-N 3.4Å; G204-E208 PolarHBondContact O-N 2.62Å |
| 205 | D | 90.5 | Very high | 81.4 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.5 | -44.2 | 178.3 | -53.8 | -41.7 | 0 | 0 | 0 | 110.7 | K187 E201 S202 I207 E208 E209 | K187-D205 IonicContact NZ-OD1 3.9Å; E201-D205 HydrophobicContact CG-CB 3.98Å; S202-D205 VanDerWaalsContact CB-OD2 3.27Å; S202-D205 WeakPolarHBondContact CB-OD2 3.33Å; S202-D205 PolarHBondContact N-OD2 2.95Å; S202-D205 PolarHBondContact O-N 2.82Å; S202-D205 VanDerWaalsContact O-N 3.09Å; S202-D205 PolarHBondContact OG-N 2.85Å; S202-D205 PolarHBondContact OG-OD2 3.08Å; D205-I207 VanDerWaalsContact C-N 3.3Å; D205-I207 PolarHBondContact O-N 3.26Å; D205-E208 WeakPolarHBondContact O-CB 3.41Å; D205-E208 PolarHBondContact O-N 3.45Å; D205-E208 VanDerWaalsContact O-N 3.07Å; D205-E209 PolarHBondContact O-N 3.4Å |
| 206 | L | 93.3 | Very high | 83.2 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -34.5 | 175.3 | -175.9 | 60.4 | 0 | 0 | 0 | 112.4 | C149 L152 R153 E201 S202 E209 T210 | C149-L206 HydrophobicContact CB-CD2 3.8Å; L152-L206 HydrophobicContact CB-CD2 3.9Å; L152-L206 HydrophobicContact CB-CG 3.91Å; L152-L206 HydrophobicContact CD1-CB 4.37Å; L152-L206 HydrophobicContact CD1-CD2 3.92Å; L152-L206 HydrophobicContact CD1-CG 3.89Å; R153-L206 HydrophobicContact CG-CD1 4.22Å; R153-L206 HydrophobicContact CG-CD2 4.38Å; E201-L206 HydrophobicContact CG-CB 4.29Å; S202-L206 PolarHBondContact O-N 3.06Å; L206-E209 WeakPolarHBondContact CD1-OE2 3.45Å; L206-T210 VanDerWaalsContact O-CB 3.31Å; L206-T210 WeakPolarHBondContact O-CB 3.29Å; L206-T210 PolarHBondContact O-N 3.19Å; L206-T210 PolarHBondContact O-OG1 3.34Å |
| 207 | I | 95.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 172 | -76.3 | 166.4 | 0 | 0 | 0 | 110.3 | L152 F180 F183 K184 I203 G204 D205 T210 L211 | L152-I207 HydrophobicContact CD1-CG1 3.69Å; L152-I207 HydrophobicContact CD2-CG1 4.16Å; F180-I207 HydrophobicContact CB-CG2 4Å; F180-I207 HydrophobicContact CD2-CG2 4.03Å; F180-I207 HydrophobicContact CG-CG2 4.34Å; F183-I207 HydrophobicContact CB-CD1 3.61Å; K184-I207 HydrophobicContact CB-CG2 4.27Å; K184-I207 HydrophobicContact CG-CG2 4.33Å; I203-I207 HydrophobicContact CG1-CD1 4.08Å; I203-I207 HydrophobicContact CG1-CG1 4.46Å; I203-I207 WeakPolarHBondContact O-CB 3.26Å; I203-I207 WeakPolarHBondContact O-CD1 3.31Å; I203-I207 WeakPolarHBondContact O-CG1 3.5Å; I203-I207 PolarHBondContact O-N 3.33Å; G204-I207 PolarHBondContact O-N 3.4Å; D205-I207 VanDerWaalsContact C-N 3.3Å; D205-I207 PolarHBondContact O-N 3.26Å; I207-T210 PolarHBondContact O-N 2.92Å; I207-L211 HydrophobicContact CG2-CD1 4.07Å; I207-L211 HydrophobicContact CG2-CG 4.41Å; I207-L211 VanDerWaalsContact O-CG 3.28Å; I207-L211 WeakPolarHBondContact O-CG 3.32Å; I207-L211 PolarHBondContact O-N 3.5Å |
| 208 | E | 93.8 | Very high | 87.3 | Confident | 33 Ų | 33 | 57 Ų | 57 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 178.5 | -164.3 | 69.9 | -133 | 0 | 0 | 111.2 | K184 G204 D205 T210 L211 Q212 Y233 | K184-E208 WeakPolarHBondContact CE-OE2 3.3Å; K184-E208 IonicContact NZ-OE1 3.12Å; K184-E208 IonicContact NZ-OE2 2.95Å; K184-E208 PolarHBondContact NZ-OE2 3.24Å; G204-E208 PolarHBondContact O-N 2.62Å; D205-E208 WeakPolarHBondContact O-CB 3.41Å; D205-E208 PolarHBondContact O-N 3.45Å; D205-E208 VanDerWaalsContact O-N 3.07Å; E208-T210 VanDerWaalsContact C-N 3.32Å; E208-T210 PolarHBondContact O-N 3.39Å; E208-L211 PolarHBondContact O-N 3.39Å; E208-L211 VanDerWaalsContact O-N 3.16Å; E208-Q212 WeakPolarHBondContact O-CG 3.38Å; E208-Q212 PolarHBondContact O-N 3.05Å; E208-Y233 VanDerWaalsContact OE1-CD2 3.25Å; E208-Y233 WeakPolarHBondContact OE1-CD2 3.21Å; E208-Y233 VanDerWaalsContact OE1-CE2 3.29Å; E208-Y233 WeakPolarHBondContact OE1-CE2 3.3Å |
| 209 | E | 94.5 | Very high | 89.3 | Confident | 78 Ų | 78 | 46.9 Ų | 46.9 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.9 | -45.5 | 175.3 | -173.5 | -164.5 | -156.8 | 0 | 0 | 111.1 | Q156 D205 L206 L211 Q212 I213 | Q156-E209 PolarHBondContact NE2-OE2 3.24Å; D205-E209 PolarHBondContact O-N 3.4Å; L206-E209 WeakPolarHBondContact CD1-OE2 3.45Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-L211 PolarHBondContact O-N 3.25Å; E209-Q212 PolarHBondContact O-N 3.5Å; E209-I213 HydrophobicContact CG-CD1 4.08Å; E209-I213 WeakPolarHBondContact O-CG1 3.32Å; E209-I213 PolarHBondContact O-N 3.2Å |
| 210 | T | 96.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 178 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | L152 I155 Q156 F180 L206 I207 E208 Q212 I213 L214 | L152-T210 HydrophobicContact CD2-CG2 4.04Å; I155-T210 HydrophobicContact CB-CG2 4.44Å; I155-T210 HydrophobicContact CG2-CG2 4.07Å; Q156-T210 HydrophobicContact CG-CG2 4.01Å; Q156-T210 PolarHBondContact NE2-OG1 2.89Å; F180-T210 HydrophobicContact CE2-CG2 3.78Å; F180-T210 HydrophobicContact CZ-CG2 4.18Å; L206-T210 VanDerWaalsContact O-CB 3.31Å; L206-T210 WeakPolarHBondContact O-CB 3.29Å; L206-T210 PolarHBondContact O-N 3.19Å; L206-T210 PolarHBondContact O-OG1 3.34Å; I207-T210 PolarHBondContact O-N 2.92Å; E208-T210 VanDerWaalsContact C-N 3.32Å; E208-T210 PolarHBondContact O-N 3.39Å; T210-Q212 VanDerWaalsContact C-N 3.33Å; T210-Q212 PolarHBondContact O-N 3.01Å; T210-I213 PolarHBondContact O-N 3.5Å; T210-L214 HydrophobicContact CG2-CD1 4.16Å; T210-L214 HydrophobicContact CG2-CG 4.37Å; T210-L214 WeakPolarHBondContact O-CB 3.41Å; T210-L214 VanDerWaalsContact O-CG 3.22Å; T210-L214 WeakPolarHBondContact O-CG 3.45Å; T210-L214 PolarHBondContact O-N 2.92Å |
| 211 | L | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | 177.4 | -71 | 173.9 | 0 | 0 | 0 | 111.8 | L177 F180 I207 E208 E209 L214 E215 I226 V230 Y233 | L177-L211 HydrophobicContact CD1-CD2 4.48Å; L177-L211 HydrophobicContact CD2-CD2 3.7Å; F180-L211 HydrophobicContact CD2-CD2 3.86Å; F180-L211 HydrophobicContact CD2-CG 4.2Å; F180-L211 HydrophobicContact CE2-CD2 4.37Å; I207-L211 HydrophobicContact CG2-CD1 4.07Å; I207-L211 HydrophobicContact CG2-CG 4.41Å; I207-L211 VanDerWaalsContact O-CG 3.28Å; I207-L211 WeakPolarHBondContact O-CG 3.32Å; I207-L211 PolarHBondContact O-N 3.5Å; E208-L211 PolarHBondContact O-N 3.39Å; E208-L211 VanDerWaalsContact O-N 3.16Å; E209-L211 VanDerWaalsContact C-N 3.34Å; E209-L211 PolarHBondContact O-N 3.25Å; L211-L214 HydrophobicContact CD2-CD1 4.49Å; L211-L214 PolarHBondContact O-N 2.92Å; L211-E215 PolarHBondContact O-N 3.33Å; L211-I226 HydrophobicContact CD2-CG2 3.94Å; L211-V230 HydrophobicContact CD1-CG1 4.24Å; L211-Y233 HydrophobicContact CB-CD2 3.77Å; L211-Y233 HydrophobicContact CB-CE2 3.47Å; L211-Y233 VanDerWaalsContact CB-CE2 3.47Å; L211-Y233 HydrophobicContact CD1-CD2 3.61Å; L211-Y233 HydrophobicContact CD1-CE2 4.21Å; L211-Y233 HydrophobicContact CD1-CG 4.25Å; L211-Y233 HydrophobicContact CG-CD2 4.3Å; L211-Y233 HydrophobicContact CG-CE2 4.47Å |
| 212 | Q | 95.4 | Very high | 93.6 | Very high | 70 Ų | 70 | 40.1 Ų | 40.1 | 33% | 0.327 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 175.9 | -67.9 | 167.9 | 5.3 | 0 | 0 | 111.7 | E208 E209 T210 L214 E215 H216 Y233 V236 | E208-Q212 WeakPolarHBondContact O-CG 3.38Å; E208-Q212 PolarHBondContact O-N 3.05Å; E209-Q212 PolarHBondContact O-N 3.5Å; T210-Q212 VanDerWaalsContact C-N 3.33Å; T210-Q212 PolarHBondContact O-N 3.01Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; Q212-L214 PolarHBondContact O-N 2.95Å; Q212-E215 PolarHBondContact O-N 3.01Å; Q212-H216 WeakPolarHBondContact O-CB 3.22Å; Q212-H216 PolarHBondContact O-N 3.37Å; Q212-Y233 WeakPolarHBondContact CA-OH 3.41Å; Q212-Y233 HydrophobicContact CG-CE2 4.39Å; Q212-V236 VanDerWaalsContact NE2-CG2 3.27Å |
| 213 | I | 96.6 | Very high | 94 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 175.5 | -69 | 169.3 | 0 | 0 | 0 | 110.3 | Q156 V159 M160 E209 T210 E215 H216 Y217 | Q156-I213 HydrophobicContact CB-CD1 4.05Å; Q156-I213 HydrophobicContact CG-CD1 3.68Å; V159-I213 HydrophobicContact CG2-CG2 3.53Å; M160-I213 HydrophobicContact CG-CG2 4.32Å; M160-I213 HydrophobicContact SD-CG2 4.35Å; E209-I213 HydrophobicContact CG-CD1 4.08Å; E209-I213 WeakPolarHBondContact O-CG1 3.32Å; E209-I213 PolarHBondContact O-N 3.2Å; T210-I213 PolarHBondContact O-N 3.5Å; I213-E215 VanDerWaalsContact C-N 3.34Å; I213-E215 PolarHBondContact O-N 3.35Å; I213-H216 PolarHBondContact O-N 3.45Å; I213-Y217 HydrophobicContact CG2-CD2 3.79Å; I213-Y217 HydrophobicContact CG2-CE2 4.09Å; I213-Y217 WeakPolarHBondContact O-CD2 3.43Å; I213-Y217 PolarHBondContact O-N 3.31Å |
| 214 | L | 96.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.5 | -72.9 | 172.7 | 0 | 0 | 0 | 112.6 | I155 V159 L169 L173 L177 F180 T210 L211 Q212 G218 I226 | I155-L214 HydrophobicContact CG2-CD2 3.95Å; I155-L214 HydrophobicContact CG2-CG 4.49Å; V159-L214 HydrophobicContact CG1-CD2 3.83Å; L169-L214 HydrophobicContact CD2-CD2 3.7Å; L173-L214 HydrophobicContact CD2-CD1 4Å; L173-L214 HydrophobicContact CD2-CD2 4.15Å; L177-L214 HydrophobicContact CD2-CD1 4.14Å; F180-L214 HydrophobicContact CE2-CD1 4.28Å; T210-L214 HydrophobicContact CG2-CD1 4.16Å; T210-L214 HydrophobicContact CG2-CG 4.37Å; T210-L214 WeakPolarHBondContact O-CB 3.41Å; T210-L214 VanDerWaalsContact O-CG 3.22Å; T210-L214 WeakPolarHBondContact O-CG 3.45Å; T210-L214 PolarHBondContact O-N 2.92Å; L211-L214 HydrophobicContact CD2-CD1 4.49Å; L211-L214 PolarHBondContact O-N 2.92Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; Q212-L214 PolarHBondContact O-N 2.95Å; L214-G218 WeakPolarHBondContact O-CA 3.34Å; L214-G218 PolarHBondContact O-N 3.49Å; L214-I226 HydrophobicContact CB-CD1 4.12Å |
| 215 | E | 95.7 | Very high | 94.3 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.1 | -49.5 | 174.4 | -178.1 | 177.4 | -172.9 | 0 | 0 | 111.2 | L211 Q212 I213 Y217 G218 G219 F223 I226 Y233 | L211-E215 PolarHBondContact O-N 3.33Å; Q212-E215 PolarHBondContact O-N 3.01Å; I213-E215 VanDerWaalsContact C-N 3.34Å; I213-E215 PolarHBondContact O-N 3.35Å; E215-Y217 PolarHBondContact O-N 2.53Å; E215-G218 PolarHBondContact O-N 3.47Å; E215-G219 PolarHBondContact O-N 2.9Å; E215-F223 HydrophobicContact CG-CB 4.38Å; E215-F223 WeakPolarHBondContact OE1-CD2 3.37Å; E215-I226 HydrophobicContact CB-CD1 3.97Å; E215-Y233 WeakPolarHBondContact OE2-CE1 3.22Å; E215-Y233 VanDerWaalsContact OE2-CZ 3.25Å; E215-Y233 PolarHBondContact OE2-OH 3.45Å |
| 216 | H | 95.1 | Very high | 94.5 | Very high | 143 Ų | 143 | 47.5 Ų | 47.5 | 66% | 0.662 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -58.9 | -48.1 | -177.3 | -176.3 | 75.6 | 0 | 0 | 0 | 112.4 | Q212 I213 | Q212-H216 WeakPolarHBondContact O-CB 3.22Å; Q212-H216 PolarHBondContact O-N 3.37Å; I213-H216 PolarHBondContact O-N 3.45Å |
| 217 | Y | 96.5 | Very high | 94.5 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 37% | 0.373 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -87.3 | -14.9 | -178.4 | -72 | -82.9 | 0 | 0 | 0 | 114 | V159 M160 G166 I167 I213 E215 | V159-Y217 HydrophobicContact CG2-CD2 4.38Å; M160-Y217 HydrophobicContact CG-CD2 4.15Å; M160-Y217 HydrophobicContact CG-CE1 4.45Å; M160-Y217 HydrophobicContact CG-CE2 3.56Å; M160-Y217 HydrophobicContact SD-CE2 4.42Å; G166-Y217 CarbonylContact C-O 3.42Å; G166-Y217 WeakPolarHBondContact CA-O 3.45Å; I167-Y217 PolarHBondContact N-O 2.97Å; I213-Y217 HydrophobicContact CG2-CD2 3.79Å; I213-Y217 HydrophobicContact CG2-CE2 4.09Å; I213-Y217 WeakPolarHBondContact O-CD2 3.43Å; I213-Y217 PolarHBondContact O-N 3.31Å; E215-Y217 PolarHBondContact O-N 2.53Å |
| 218 | G | 94.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -85.7 | -10.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V170 L214 E215 | V170-G218 WeakPolarHBondContact CG2-O 3.37Å; L214-G218 WeakPolarHBondContact O-CA 3.34Å; L214-G218 PolarHBondContact O-N 3.49Å; E215-G218 PolarHBondContact O-N 3.47Å |
| 219 | G | 91.4 | Very high | 94.4 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | trans | 73.1 | -167.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E215 E221 A222 | E215-G219 PolarHBondContact O-N 2.9Å; G219-E221 VanDerWaalsContact C-N 3.26Å; G219-E221 PolarHBondContact O-N 3.33Å; G219-E221 VanDerWaalsContact O-N 3.09Å; G219-A222 VanDerWaalsContact O-CB 3.3Å; G219-A222 WeakPolarHBondContact O-CB 3.49Å; G219-A222 PolarHBondContact O-N 2.94Å | ||
| 220 | P | 89 | Confident | 94.3 | Very high | 119 Ų | 119 | 51.9 Ų | 51.9 | 77% | 0.773 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.4 | -29.3 | -166.8 | -26.6 | 34.5 | 0 | 0 | 0 | 115.5 | ||
| 221 | E | 92.6 | Very high | 94.1 | Very high | 101 Ų | 101 | 55.7 Ų | 55.7 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -85.1 | -13.6 | -178.2 | -63 | -55.4 | 120.8 | 0 | 0 | 113.4 | V170 G219 K224 Q225 | V170-E221 HydrophobicContact CG1-CB 4.41Å; G219-E221 VanDerWaalsContact C-N 3.26Å; G219-E221 PolarHBondContact O-N 3.33Å; G219-E221 VanDerWaalsContact O-N 3.09Å; E221-K224 VanDerWaalsContact CD-NZ 3.33Å; E221-K224 PolarHBondContact O-N 3.45Å; E221-K224 IonicContact OE1-NZ 2.72Å; E221-K224 PolarHBondContact OE1-NZ 3.44Å; E221-K224 WeakPolarHBondContact OE2-CD 3.45Å; E221-K224 IonicContact OE2-NZ 3.84Å; E221-K224 PolarHBondContact OE2-NZ 3.37Å; E221-K224 VanDerWaalsContact OE2-NZ 3.12Å; E221-Q225 PolarHBondContact O-N 3.12Å |
| 222 | A | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V170 G219 K224 Q225 I226 | V170-A222 HydrophobicContact CG2-CB 3.94Å; G219-A222 VanDerWaalsContact O-CB 3.3Å; G219-A222 WeakPolarHBondContact O-CB 3.49Å; G219-A222 PolarHBondContact O-N 2.94Å; A222-K224 VanDerWaalsContact C-N 3.32Å; A222-K224 PolarHBondContact O-N 3.26Å; A222-Q225 PolarHBondContact O-N 3.04Å; A222-Q225 VanDerWaalsContact O-N 3.17Å; A222-I226 VanDerWaalsContact O-CG1 3.31Å; A222-I226 WeakPolarHBondContact O-CG1 3.42Å; A222-I226 PolarHBondContact O-N 3.09Å |
| 223 | F | 94.3 | Very high | 93.7 | Very high | 69 Ų | 69 | 56 Ų | 56 | 30% | 0.303 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.4 | -46.6 | 179.1 | 176.6 | -104.8 | 0 | 0 | 0 | 112.1 | E215 Q225 I226 K227 Y233 P235 | E215-F223 HydrophobicContact CG-CB 4.38Å; E215-F223 WeakPolarHBondContact OE1-CD2 3.37Å; F223-Q225 VanDerWaalsContact C-N 3.34Å; F223-Q225 PolarHBondContact O-N 3.46Å; F223-I226 PolarHBondContact O-N 2.73Å; F223-K227 HydrophobicContact CE1-CB 4.44Å; F223-K227 HydrophobicContact CZ-CB 4.27Å; F223-K227 HydrophobicContact CZ-CD 4.32Å; F223-K227 HydrophobicContact CZ-CG 4.26Å; F223-K227 VanDerWaalsContact O-CB 3.26Å; F223-K227 WeakPolarHBondContact O-CB 3.3Å; F223-K227 PolarHBondContact O-N 2.72Å; F223-Y233 HydrophobicContact CD2-CD1 4.46Å; F223-Y233 HydrophobicContact CD2-CE1 4.2Å; F223-Y233 HydrophobicContact CE2-CD1 4.29Å; F223-Y233 HydrophobicContact CE2-CE1 4.32Å; F223-P235 HydrophobicContact CE2-CB 4.48Å; F223-P235 HydrophobicContact CE2-CG 3.97Å |
| 224 | K | 92.9 | Very high | 93.2 | Very high | 124 Ų | 124 | 58.1 Ų | 58.1 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 179.9 | -64.2 | 174.6 | -170.8 | 161.2 | 0 | 111.8 | E221 A222 S228 | E221-K224 VanDerWaalsContact CD-NZ 3.33Å; E221-K224 PolarHBondContact O-N 3.45Å; E221-K224 IonicContact OE1-NZ 2.72Å; E221-K224 PolarHBondContact OE1-NZ 3.44Å; E221-K224 WeakPolarHBondContact OE2-CD 3.45Å; E221-K224 IonicContact OE2-NZ 3.84Å; E221-K224 PolarHBondContact OE2-NZ 3.37Å; E221-K224 VanDerWaalsContact OE2-NZ 3.12Å; A222-K224 VanDerWaalsContact C-N 3.32Å; A222-K224 PolarHBondContact O-N 3.26Å; K224-S228 WeakPolarHBondContact O-CB 3.3Å; K224-S228 PolarHBondContact O-N 3.22Å |
| 225 | Q | 93.8 | Very high | 92.3 | Very high | 48 Ų | 48 | 59.3 Ų | 59.3 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.1 | -43.6 | 178.1 | -68.2 | -71.6 | 4.7 | 0 | 0 | 112.2 | V170 L173 E221 A222 F223 S228 M229 | V170-Q225 HydrophobicContact CG1-CB 4.39Å; V170-Q225 HydrophobicContact CG1-CG 3.74Å; L173-Q225 HydrophobicContact CB-CB 4.5Å; L173-Q225 HydrophobicContact CD1-CB 4.25Å; E221-Q225 PolarHBondContact O-N 3.12Å; A222-Q225 PolarHBondContact O-N 3.04Å; A222-Q225 VanDerWaalsContact O-N 3.17Å; F223-Q225 VanDerWaalsContact C-N 3.34Å; F223-Q225 PolarHBondContact O-N 3.46Å; Q225-S228 PolarHBondContact O-N 3.48Å; Q225-M229 PolarHBondContact O-N 3.46Å |
| 226 | I | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.2 | -51.2 | 177 | -68.1 | 166.1 | 0 | 0 | 0 | 109.6 | L173 L177 L211 L214 E215 A222 F223 S228 M229 V230 Y233 | L173-I226 HydrophobicContact CD1-CG1 4.06Å; L177-I226 HydrophobicContact CD1-CB 4.28Å; L177-I226 HydrophobicContact CD1-CG1 3.89Å; L211-I226 HydrophobicContact CD2-CG2 3.94Å; L214-I226 HydrophobicContact CB-CD1 4.12Å; E215-I226 HydrophobicContact CB-CD1 3.97Å; A222-I226 VanDerWaalsContact O-CG1 3.31Å; A222-I226 WeakPolarHBondContact O-CG1 3.42Å; A222-I226 PolarHBondContact O-N 3.09Å; F223-I226 PolarHBondContact O-N 2.73Å; I226-S228 VanDerWaalsContact C-N 3.28Å; I226-S228 PolarHBondContact O-N 3.34Å; I226-M229 PolarHBondContact O-N 2.98Å; I226-V230 PolarHBondContact O-N 2.71Å; I226-Y233 HydrophobicContact CB-CD1 4.42Å; I226-Y233 HydrophobicContact CG2-CD1 3.4Å; I226-Y233 HydrophobicContact CG2-CD2 4.42Å; I226-Y233 HydrophobicContact CG2-CE1 3.93Å; I226-Y233 HydrophobicContact CG2-CG 3.67Å |
| 227 | K | 93.8 | Very high | 89.4 | Confident | 78 Ų | 78 | 62.9 Ų | 62.9 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -35.9 | -179.3 | -168.3 | 61.8 | 165.7 | 178.9 | 0 | 112.5 | F223 M229 V230 P231 Y233 | F223-K227 HydrophobicContact CE1-CB 4.44Å; F223-K227 HydrophobicContact CZ-CB 4.27Å; F223-K227 HydrophobicContact CZ-CD 4.32Å; F223-K227 HydrophobicContact CZ-CG 4.26Å; F223-K227 VanDerWaalsContact O-CB 3.26Å; F223-K227 WeakPolarHBondContact O-CB 3.3Å; F223-K227 PolarHBondContact O-N 2.72Å; K227-M229 VanDerWaalsContact C-N 3.27Å; K227-M229 PolarHBondContact O-N 2.93Å; K227-V230 CarbonylContact O-C 3.56Å; K227-P231 WeakPolarHBondContact CE-O 3.29Å; K227-P231 PolarHBondContact NZ-O 3.17Å; K227-P231 WeakPolarHBondContact O-CA 3.41Å; K227-Y233 WeakPolarHBondContact CD-O 3.35Å; K227-Y233 PolarHBondContact NZ-O 3.5Å |
| 228 | S | 93.1 | Very high | 87.1 | Confident | 77 Ų | 77 | 65 Ų | 65 | 54% | 0.538 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.5 | -29.7 | 174.5 | 179.4 | 0 | 0 | 0 | 0 | 113.2 | K224 Q225 I226 | K224-S228 WeakPolarHBondContact O-CB 3.3Å; K224-S228 PolarHBondContact O-N 3.22Å; Q225-S228 PolarHBondContact O-N 3.48Å; I226-S228 VanDerWaalsContact C-N 3.28Å; I226-S228 PolarHBondContact O-N 3.34Å |
| 229 | M | 93.3 | Very high | 84.3 | Confident | 50 Ų | 50 | 76.1 Ų | 76.1 | 25% | 0.246 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -101.8 | -27.7 | -176.4 | -75.6 | -61.1 | -176 | 0 | 0 | 114.1 | K174 L177 P178 Q225 I226 K227 | K174-M229 VanDerWaalsContact CA-CE 3.49Å; K174-M229 HydrophobicContact CB-CE 3.39Å; K174-M229 HydrophobicContact CD-CE 3.91Å; K174-M229 HydrophobicContact CG-CE 3.53Å; K174-M229 HydrophobicContact CG-CG 4.39Å; L177-M229 HydrophobicContact CB-CB 3.79Å; L177-M229 HydrophobicContact CB-CG 4.38Å; L177-M229 HydrophobicContact CD1-CB 4.1Å; P178-M229 HydrophobicContact CG-SD 4.27Å; Q225-M229 PolarHBondContact O-N 3.46Å; I226-M229 PolarHBondContact O-N 2.98Å; K227-M229 VanDerWaalsContact C-N 3.27Å; K227-M229 PolarHBondContact O-N 2.93Å |
| 230 | V | 92.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 43% | 0.431 | C | S | . | . | trans | -128.4 | 80.1 | 179.4 | -169.4 | 0 | 0 | 0 | 0 | 107.2 | L177 N181 K184 L211 I226 K227 T232 Y233 | L177-V230 HydrophobicContact CB-CG2 4.24Å; N181-V230 HydrophobicContact CB-CG2 4.25Å; K184-V230 HydrophobicContact CD-CG1 3.7Å; L211-V230 HydrophobicContact CD1-CG1 4.24Å; I226-V230 PolarHBondContact O-N 2.71Å; K227-V230 CarbonylContact O-C 3.56Å; V230-T232 PolarHBondContact O-N 3.04Å; V230-T232 VanDerWaalsContact O-N 3.08Å; V230-Y233 VanDerWaalsContact O-CB 3.28Å; V230-Y233 WeakPolarHBondContact O-CB 3.44Å; V230-Y233 PolarHBondContact O-N 3.12Å | ||
| 231 | P | 91.6 | Very high | 83.6 | Confident | 81 Ų | 81 | 76.5 Ų | 76.5 | 53% | 0.526 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.8 | -175.1 | -26.7 | 36.1 | 0 | 0 | 0 | 113.9 | K227 Y233 | K227-P231 WeakPolarHBondContact CE-O 3.29Å; K227-P231 PolarHBondContact NZ-O 3.17Å; K227-P231 WeakPolarHBondContact O-CA 3.41Å; P231-Y233 VanDerWaalsContact C-N 3.29Å; P231-Y233 PolarHBondContact O-N 3.31Å |
| 232 | T | 90.9 | Very high | 83.1 | Confident | 74 Ų | 74 | 75.1 Ų | 75.1 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.4 | 177.6 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | K184 V230 | K184-T232 PolarHBondContact NZ-O 3.01Å; V230-T232 PolarHBondContact O-N 3.04Å; V230-T232 VanDerWaalsContact O-N 3.08Å |
| 233 | Y | 92.4 | Very high | 82.4 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 0% | 0.004 | 43% | 0.434 | C | S | . | . | trans | -75.8 | 133.7 | 170.4 | -178 | -105.1 | 0 | 0 | 0 | 111.1 | K184 E208 L211 Q212 E215 F223 I226 K227 V230 P231 | K184-Y233 VanDerWaalsContact NZ-CA 3.28Å; E208-Y233 VanDerWaalsContact OE1-CD2 3.25Å; E208-Y233 WeakPolarHBondContact OE1-CD2 3.21Å; E208-Y233 VanDerWaalsContact OE1-CE2 3.29Å; E208-Y233 WeakPolarHBondContact OE1-CE2 3.3Å; L211-Y233 HydrophobicContact CB-CD2 3.77Å; L211-Y233 HydrophobicContact CB-CE2 3.47Å; L211-Y233 VanDerWaalsContact CB-CE2 3.47Å; L211-Y233 HydrophobicContact CD1-CD2 3.61Å; L211-Y233 HydrophobicContact CD1-CE2 4.21Å; L211-Y233 HydrophobicContact CD1-CG 4.25Å; L211-Y233 HydrophobicContact CG-CD2 4.3Å; L211-Y233 HydrophobicContact CG-CE2 4.47Å; Q212-Y233 WeakPolarHBondContact CA-OH 3.41Å; Q212-Y233 HydrophobicContact CG-CE2 4.39Å; E215-Y233 WeakPolarHBondContact OE2-CE1 3.22Å; E215-Y233 VanDerWaalsContact OE2-CZ 3.25Å; E215-Y233 PolarHBondContact OE2-OH 3.45Å; F223-Y233 HydrophobicContact CD2-CD1 4.46Å; F223-Y233 HydrophobicContact CD2-CE1 4.2Å; F223-Y233 HydrophobicContact CE2-CD1 4.29Å; F223-Y233 HydrophobicContact CE2-CE1 4.32Å; I226-Y233 HydrophobicContact CB-CD1 4.42Å; I226-Y233 HydrophobicContact CG2-CD1 3.4Å; I226-Y233 HydrophobicContact CG2-CD2 4.42Å; I226-Y233 HydrophobicContact CG2-CE1 3.93Å; I226-Y233 HydrophobicContact CG2-CG 3.67Å; K227-Y233 WeakPolarHBondContact CD-O 3.35Å; K227-Y233 PolarHBondContact NZ-O 3.5Å; V230-Y233 VanDerWaalsContact O-CB 3.28Å; V230-Y233 WeakPolarHBondContact O-CB 3.44Å; V230-Y233 PolarHBondContact O-N 3.12Å; P231-Y233 VanDerWaalsContact C-N 3.29Å; P231-Y233 PolarHBondContact O-N 3.31Å | ||
| 234 | S | 85.5 | Confident | 81.7 | Confident | 74 Ų | 74 | 80.2 Ų | 80.2 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | trans | -133.3 | 132.4 | 175.9 | -65 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 235 | P | 78.3 | Confident | 81 | Confident | 32 Ų | 32 | 77.3 Ų | 77.3 | 21% | 0.208 | 44% | 0.436 | C | S | . | . | trans | -70.9 | 148.1 | 179.1 | 30.7 | -29.4 | 0 | 0 | 0 | 109.2 | F223 L237 L238 | F223-P235 HydrophobicContact CE2-CB 4.48Å; F223-P235 HydrophobicContact CE2-CG 3.97Å; P235-L237 VanDerWaalsContact C-N 3.25Å; P235-L237 PolarHBondContact O-N 3.38Å; P235-L238 HydrophobicContact CG-CD1 4.09Å; P235-L238 HydrophobicContact CG-CG 4.45Å | ||
| 236 | V | 68 | Low | 80 | Confident | 106 Ų | 106 | 79.4 Ų | 79.4 | 64% | 0.642 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -75.5 | -17 | 177.8 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | Q212 L238 | Q212-V236 VanDerWaalsContact NE2-CG2 3.27Å; V236-L238 PolarHBondContact O-N 3.22Å |
| 237 | L | 61.4 | Low | 78.9 | Confident | 160 Ų | 160 | 85.5 Ų | 85.5 | 84% | 0.838 | 49% | 0.486 | S | S | * | . | trans | -98.4 | 45.6 | -171.9 | -67.7 | 169.7 | 0 | 0 | 0 | 114.2 | P235 | P235-L237 VanDerWaalsContact C-N 3.25Å; P235-L237 PolarHBondContact O-N 3.38Å | ||
| 238 | L | 48 | Very low | 77.6 | Confident | 141 Ų | 141 | 86.1 Ų | 86.1 | 74% | 0.738 | 50% | 0.498 | S | S | * | . | trans | -127.1 | 62.9 | 164.4 | -74.6 | 171.7 | 0 | 0 | 0 | 109.4 | P235 V236 | P235-L238 HydrophobicContact CG-CD1 4.09Å; P235-L238 HydrophobicContact CG-CG 4.45Å; V236-L238 PolarHBondContact O-N 3.22Å | ||
| 239 | D | 36.1 | Very low | 76.2 | Confident | 237 Ų | 237 | 86.9 Ų | 86.9 | 100% | 1.267 | 50% | 0.495 | S | S | * | . | trans | -145.4 | 0 | 155.6 | -80.8 | -34.4 | 0 | 0 | 0 | 108.3 |
Retrieved 239 of 239 residues in 445 ms
(Link to these results)