| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.7 | Very low | 33.1 | Very low | 242 Ų | 242 | 153.3 Ų | 153.3 | 100% | 1.192 | 81% | 0.811 | S | S | * | * | 0 | 112.2 | 0 | -90.6 | 173.4 | 169.8 | 0 | 0 | 107.6 | |||||
| 2 | N | 27 | Very low | 34.3 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 132.2 | 178.2 | -94.1 | -11.5 | 0 | 0 | 0 | 111.1 | ||
| 3 | P | 31.4 | Very low | 35.2 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 133.3 | 158.1 | 23.8 | -12.7 | 0 | 0 | 0 | 109.2 | ||
| 4 | R | 29.6 | Very low | 36.5 | Very low | 241 Ų | 241 | 143.1 Ų | 143.1 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 133.3 | -170.5 | -65.7 | 169.7 | 172.3 | 176.9 | -4.7 | 112 | A6 | R4-A6 PolarHBondContact O-N 3.36Š|
| 5 | E | 31.8 | Very low | 37.7 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 126.8 | 162.9 | -68 | 177.7 | 134.3 | 0 | 0 | 109.2 | T7 R42 | E5-T7 PolarHBondContact O-N 3.42Å; E5-R42 IonicContact OE1-NH2 3.22Å; E5-R42 PolarHBondContact OE1-NH2 3.48Å |
| 6 | A | 28.3 | Very low | 38.4 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | trans | -81.1 | 112.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | R4 | R4-A6 PolarHBondContact O-N 3.36Š| ||
| 7 | T | 30.5 | Very low | 39.2 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 133.7 | 174.6 | 26.1 | 0 | 0 | 0 | 0 | 111.1 | E5 S9 | E5-T7 PolarHBondContact O-N 3.42Å; T7-S9 PolarHBondContact O-N 3.09Å |
| 8 | L | 36.3 | Very low | 40.2 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 124.3 | 160.2 | -76 | 155.1 | 0 | 0 | 0 | 107.6 | E10 | L8-E10 PolarHBondContact O-N 2.92Š|
| 9 | S | 36.1 | Very low | 41.7 | Very low | 56 Ų | 56 | 129.9 Ų | 129.9 | 39% | 0.392 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -77 | 118.2 | 173.5 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | T7 D11 V15 | T7-S9 PolarHBondContact O-N 3.09Å; S9-D11 PolarHBondContact O-N 3.07Å; S9-D11 VanDerWaalsContact O-N 3.15Å; S9-V15 WeakPolarHBondContact OG-CG2 3.47Å |
| 10 | E | 41.6 | Very low | 43.9 | Very low | 194 Ų | 194 | 127.6 Ų | 127.6 | 91% | 0.907 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -5.3 | 170.8 | -68.9 | -178.8 | 137.3 | 0 | 0 | 113.1 | L8 | L8-E10 PolarHBondContact O-N 2.92Š|
| 11 | D | 38.8 | Very low | 46.2 | Very low | 132 Ų | 132 | 122 Ų | 122 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 16.9 | -166 | -92 | -9.1 | 0 | 0 | 0 | 116.5 | S9 R13 | S9-D11 PolarHBondContact O-N 3.07Å; S9-D11 VanDerWaalsContact O-N 3.15Å; D11-R13 PolarHBondContact O-N 2.71Å |
| 12 | G | 47.4 | Very low | 49.1 | Very low | 51 Ų | 51 | 114.1 Ų | 114.1 | 53% | 0.526 | 62% | 0.615 | S | S | . | * | trans | 60.9 | 19.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 13 | R | 46.3 | Very low | 52.3 | Low | 186 Ų | 186 | 109.5 Ų | 109.5 | 70% | 0.702 | 59% | 0.59 | S | S | * | * | trans | -82 | 139.7 | 173.3 | -71.6 | -172.3 | -171.6 | -166.9 | 2.7 | 110.2 | D11 V15 | D11-R13 PolarHBondContact O-N 2.71Å; R13-V15 WeakPolarHBondContact O-CG2 3.27Å; R13-V15 PolarHBondContact O-N 3.04Å | ||
| 14 | M | 52.8 | Low | 55.2 | Low | 81 Ų | 81 | 108.2 Ų | 108.2 | 40% | 0.399 | 58% | 0.576 | S | S | . | * | trans | -64.6 | 119.1 | 173.6 | -56.2 | 178.9 | 100 | 0 | 0 | 109.4 | L93 L105 | M14-L93 HydrophobicContact CB-CD2 4.37Å; M14-L93 HydrophobicContact CE-CB 3.73Å; M14-L93 HydrophobicContact CE-CD1 3.26Å; M14-L93 HydrophobicContact CE-CG 4.07Å; M14-L93 HydrophobicContact SD-CD1 3.88Å; M14-L105 HydrophobicContact CE-CD1 3.87Å; M14-L105 HydrophobicContact CE-CG 4.48Å | ||
| 15 | V | 55.6 | Low | 58.4 | Low | 57 Ų | 57 | 101.8 Ų | 101.8 | 35% | 0.345 | 56% | 0.556 | S | S | . | * | B | Isolated β-bridge | trans | -112.4 | 126.7 | 176.6 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | S9 R13 S17 | S9-V15 WeakPolarHBondContact OG-CG2 3.47Å; R13-V15 WeakPolarHBondContact O-CG2 3.27Å; R13-V15 PolarHBondContact O-N 3.04Å; V15-S17 VanDerWaalsContact C-N 3.26Å; V15-S17 PolarHBondContact O-N 3.41Å |
| 16 | S | 48 | Very low | 61.4 | Low | 100 Ų | 100 | 98.2 Ų | 98.2 | 70% | 0.699 | 54% | 0.54 | S | S | * | . | trans | -66.8 | 93.1 | 158 | 173.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 17 | S | 52.9 | Low | 64.5 | Low | 64 Ų | 64 | 96.6 Ų | 96.6 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -103.9 | 139.1 | -178.5 | 59.4 | 0 | 0 | 0 | 0 | 109.6 | V15 | V15-S17 VanDerWaalsContact C-N 3.26Å; V15-S17 PolarHBondContact O-N 3.41Å |
| 18 | Q | 57.3 | Low | 67.2 | Low | 172 Ų | 172 | 91.8 Ų | 91.8 | 80% | 0.804 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 135.8 | 160.8 | -71.6 | -173.7 | -10.2 | 0 | 0 | 107.6 | K20 | Q18-K20 PolarHBondContact O-N 3.1Å; Q18-K20 VanDerWaalsContact O-N 3.11Å |
| 19 | P | 68.4 | Low | 69.6 | Low | 72 Ų | 72 | 92.9 Ų | 92.9 | 47% | 0.468 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 122.2 | -173.8 | 18.3 | -25.8 | 0 | 0 | 0 | 109.2 | Y21 K41 | P19-Y21 PolarHBondContact O-N 3.22Å; P19-K41 WeakPolarHBondContact O-CD 3.29Å; P19-K41 WeakPolarHBondContact O-CE 3.08Å; P19-K41 PolarHBondContact O-NZ 3.23Å |
| 20 | K | 86.2 | Confident | 71.4 | Confident | 83 Ų | 83 | 92.4 Ų | 92.4 | 36% | 0.361 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -59.7 | -26.1 | 177.8 | 177 | 177.5 | 170.7 | -170.9 | 0 | 112.3 | Q18 K41 E85 | Q18-K20 PolarHBondContact O-N 3.1Å; Q18-K20 VanDerWaalsContact O-N 3.11Å; K20-K41 PolarHBondContact O-N 3.11Å; K20-K41 VanDerWaalsContact O-N 3.07Å; K20-E85 WeakPolarHBondContact CE-OE1 3.29Å; K20-E85 IonicContact NZ-OE1 2.75Å; K20-E85 PolarHBondContact NZ-OE1 3.12Å |
| 21 | Y | 91.6 | Very high | 72.6 | Confident | 10 Ų | 10 | 88.3 Ų | 88.3 | 4% | 0.039 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 132.2 | -175.6 | -55.8 | -81.2 | 0 | 0 | 0 | 110.4 | P19 V39 V40 V47 E85 I87 V131 | P19-Y21 PolarHBondContact O-N 3.22Å; Y21-V39 WeakPolarHBondContact CA-O 3.46Å; Y21-V40 HydrophobicContact CD1-CG2 4.03Å; Y21-V40 HydrophobicContact CE1-CG2 3.73Å; Y21-V47 HydrophobicContact CD1-CG2 3.7Å; Y21-V47 HydrophobicContact CE1-CG2 3.94Å; Y21-E85 WeakPolarHBondContact CE2-OE1 3.38Å; Y21-E85 PolarHBondContact OH-OE1 2.91Å; Y21-I87 HydrophobicContact CD2-CD1 4.24Å; Y21-I87 HydrophobicContact CE2-CD1 3.85Å; Y21-V131 HydrophobicContact CD1-CG1 4.31Å; Y21-V131 HydrophobicContact CD2-CG2 4.26Å; Y21-V131 HydrophobicContact CE1-CG1 3.52Å; Y21-V131 HydrophobicContact CE1-CG2 4.31Å; Y21-V131 HydrophobicContact CE2-CG1 4.41Å; Y21-V131 HydrophobicContact CE2-CG2 3.73Å |
| 22 | D | 92.7 | Very high | 74.5 | Confident | 76 Ų | 76 | 85.8 Ų | 85.8 | 41% | 0.406 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 115.7 | 167 | -72.7 | -37 | 0 | 0 | 0 | 108.9 | A38 V39 K41 | D22-A38 CarbonylContact O-C 3.51Å; D22-A38 WeakPolarHBondContact O-CA 3.38Å; D22-A38 VanDerWaalsContact O-CB 3.32Å; D22-A38 WeakPolarHBondContact O-CB 3.48Å; D22-V39 PolarHBondContact N-O 3.41Å; D22-V39 PolarHBondContact O-N 2.97Å; D22-K41 WeakPolarHBondContact OD1-CE 3.46Å; D22-K41 IonicContact OD1-NZ 3.94Å; D22-K41 PolarHBondContact OD1-NZ 2.9Å; D22-K41 WeakPolarHBondContact OD2-CE 3.27Å; D22-K41 VanDerWaalsContact OD2-CG 3.31Å; D22-K41 WeakPolarHBondContact OD2-CG 3.45Å |
| 23 | L | 93.9 | Very high | 76.4 | Confident | 65 Ų | 65 | 83.9 Ų | 83.9 | 34% | 0.34 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 128.1 | 174.9 | -54.7 | -176.1 | 0 | 0 | 0 | 109 | Y36 A38 V49 W129 | L23-Y36 HydrophobicContact CD1-CD1 4.47Å; L23-Y36 HydrophobicContact CD1-CD2 4.31Å; L23-Y36 HydrophobicContact CD1-CG 4.23Å; L23-Y36 HydrophobicContact CD2-CG 4.46Å; L23-A38 HydrophobicContact CD2-CB 3.78Å; L23-V49 HydrophobicContact CD2-CB 3.97Å; L23-V49 HydrophobicContact CD2-CG1 4.1Å; L23-V49 HydrophobicContact CD2-CG2 4.09Å; L23-W129 HydrophobicContact CD1-CH2 4.18Å; L23-W129 HydrophobicContact CD1-CZ3 4.32Å; L23-W129 HydrophobicContact CD2-CZ3 4.14Å; L23-W129 HydrophobicContact CG-CZ3 4.43Å |
| 24 | I | 94.3 | Very high | 78.6 | Confident | 96 Ų | 96 | 75.9 Ų | 75.9 | 49% | 0.492 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -63 | -175.5 | -63 | 174.5 | 0 | 0 | 0 | 110.2 | E37 V39 | I24-E37 HydrophobicContact CB-CG 4.48Å; I24-E37 WeakPolarHBondContact CB-O 3.46Å; I24-E37 HydrophobicContact CD1-CG 4.29Å; I24-E37 PolarHBondContact N-O 3.38Å; I24-V39 HydrophobicContact CD1-CB 4.13Å; I24-V39 HydrophobicContact CD1-CG2 3.43Å; I24-V39 VanDerWaalsContact CD1-CG2 3.43Å |
| 25 | Q | 95 | Very high | 80.7 | Confident | 106 Ų | 106 | 73.7 Ų | 73.7 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 151.9 | -174.5 | 61 | -179.7 | -3.1 | 0 | 0 | 111.2 | V27 Y36 E37 | Q25-V27 HydrophobicContact CG-CG1 4.17Å; Q25-V27 PolarHBondContact O-N 3.25Å; Q25-Y36 CarbonylContact O-C 3.6Å; Q25-Y36 WeakPolarHBondContact O-CA 3.23Å; Q25-E37 HydrophobicContact CG-CB 4.04Å; Q25-E37 PolarHBondContact NE2-OE2 2.87Å; Q25-E37 PolarHBondContact O-N 3.16Å |
| 26 | E | 95.9 | Very high | 82.6 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 40% | 0.402 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 123.9 | 168.8 | 178.3 | 170.5 | 156.2 | 0 | 0 | 109 | R29 V34 Y36 | E26-R29 VanDerWaalsContact CD-NH2 3.31Å; E26-R29 WeakPolarHBondContact OE1-CB 3.48Å; E26-R29 IonicContact OE1-CZ 3.61Å; E26-R29 IonicContact OE1-NE 2.66Å; E26-R29 PolarHBondContact OE1-NE 2.98Å; E26-R29 IonicContact OE1-NH2 2.75Å; E26-R29 PolarHBondContact OE1-NH2 3.37Å; E26-R29 VanDerWaalsContact OE1-NH2 3.12Å; E26-R29 IonicContact OE2-CZ 3.35Å; E26-R29 IonicContact OE2-NE 3.91Å; E26-R29 IonicContact OE2-NH2 2.71Å; E26-R29 PolarHBondContact OE2-NH2 2.63Å; E26-V34 HydrophobicContact CB-CG1 4.34Å; E26-V34 HydrophobicContact CG-CG1 3.53Å; E26-V34 WeakPolarHBondContact OE2-CG1 3.13Å; E26-Y36 HydrophobicContact CB-CD1 4.32Å; E26-Y36 HydrophobicContact CB-CE1 4.2Å |
| 27 | V | 92.6 | Very high | 84.9 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 42% | 0.424 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -16.6 | 178.3 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | Q25 V35 E37 F134 | Q25-V27 HydrophobicContact CG-CG1 4.17Å; Q25-V27 PolarHBondContact O-N 3.25Å; V27-V35 HydrophobicContact CG2-CB 4.05Å; V27-V35 HydrophobicContact CG2-CG1 3.69Å; V27-V35 WeakPolarHBondContact CG2-O 3.31Å; V27-V35 PolarHBondContact N-O 2.72Å; V27-E37 HydrophobicContact CG1-CB 3.71Å; V27-F134 HydrophobicContact CG1-CE2 4.25Å |
| 28 | G | 87.4 | Confident | 87 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 154 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V35 | G28-V35 PolarHBondContact N-O 3.32Å; G28-V35 PolarHBondContact O-N 3.11Å |
| 29 | R | 87.1 | Confident | 88.8 | Confident | 166 Ų | 166 | 60.1 Ų | 60.1 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 117.3 | 175.1 | -179.1 | 176 | -64.3 | -99.1 | 0 | 108.5 | E26 V34 | E26-R29 VanDerWaalsContact CD-NH2 3.31Å; E26-R29 WeakPolarHBondContact OE1-CB 3.48Å; E26-R29 IonicContact OE1-CZ 3.61Å; E26-R29 IonicContact OE1-NE 2.66Å; E26-R29 PolarHBondContact OE1-NE 2.98Å; E26-R29 IonicContact OE1-NH2 2.75Å; E26-R29 PolarHBondContact OE1-NH2 3.37Å; E26-R29 VanDerWaalsContact OE1-NH2 3.12Å; E26-R29 IonicContact OE2-CZ 3.35Å; E26-R29 IonicContact OE2-NE 3.91Å; E26-R29 IonicContact OE2-NH2 2.71Å; E26-R29 PolarHBondContact OE2-NH2 2.63Å; R29-V34 HydrophobicContact CG-CG2 4.39Å; R29-V34 VanDerWaalsContact CZ-CG2 3.47Å |
| 30 | G | 72.7 | Confident | 90.1 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | trans | -100 | -177.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y32 G33 | G30-Y32 PolarHBondContact O-N 3.48Å; G30-G33 PolarHBondContact N-O 3.26Å | ||
| 31 | S | 68.8 | Low | 90.3 | Very high | 108 Ų | 108 | 58.1 Ų | 58.1 | 76% | 0.755 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -60 | -27 | 178.6 | -49 | 0 | 0 | 0 | 0 | 113.3 | ||
| 32 | Y | 77.9 | Confident | 90.2 | Very high | 79 Ų | 79 | 68.2 Ų | 68.2 | 31% | 0.31 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -118 | -6.2 | -167.5 | -44.8 | -61.5 | 0 | 0 | 0 | 114 | G30 I52 L62 | G30-Y32 PolarHBondContact O-N 3.48Å; Y32-I52 WeakPolarHBondContact O-CG2 3.42Å; Y32-L62 HydrophobicContact CD1-CD1 3.17Å; Y32-L62 HydrophobicContact CD2-CD1 4.02Å; Y32-L62 HydrophobicContact CE1-CD1 3.19Å; Y32-L62 HydrophobicContact CE2-CD1 4.03Å; Y32-L62 HydrophobicContact CG-CD1 3.6Å |
| 33 | G | 87 | Confident | 90.2 | Very high | 11 Ų | 11 | 68.6 Ų | 68.6 | 11% | 0.113 | 36% | 0.357 | C | S | . | . | trans | -177.4 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G30 K51 | G30-G33 PolarHBondContact N-O 3.26Å; G33-K51 WeakPolarHBondContact CA-O 3.33Å | ||
| 34 | V | 93.4 | Very high | 90.1 | Very high | 17 Ų | 17 | 67.8 Ų | 67.8 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 132.4 | -180 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | E26 R29 Y36 K51 | E26-V34 HydrophobicContact CB-CG1 4.34Å; E26-V34 HydrophobicContact CG-CG1 3.53Å; E26-V34 WeakPolarHBondContact OE2-CG1 3.13Å; R29-V34 HydrophobicContact CG-CG2 4.39Å; R29-V34 VanDerWaalsContact CZ-CG2 3.47Å; V34-Y36 HydrophobicContact CB-CE2 3.7Å; V34-Y36 HydrophobicContact CG1-CD2 4.22Å; V34-Y36 HydrophobicContact CG1-CE1 4.22Å; V34-Y36 HydrophobicContact CG1-CE2 3.54Å; V34-K51 PolarHBondContact N-O 2.84Å; V34-K51 PolarHBondContact O-N 2.87Å |
| 35 | V | 95.4 | Very high | 90.1 | Very high | 35 Ų | 35 | 65.5 Ų | 65.5 | 21% | 0.212 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.6 | 177.1 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | V27 G28 A48 V49 K50 | V27-V35 HydrophobicContact CG2-CB 4.05Å; V27-V35 HydrophobicContact CG2-CG1 3.69Å; V27-V35 WeakPolarHBondContact CG2-O 3.31Å; V27-V35 PolarHBondContact N-O 2.72Å; G28-V35 PolarHBondContact N-O 3.32Å; G28-V35 PolarHBondContact O-N 3.11Å; V35-A48 HydrophobicContact CG1-CB 4.29Å; V35-V49 WeakPolarHBondContact CA-O 3.3Å; V35-K50 HydrophobicContact CG2-CB 4.08Å; V35-K50 HydrophobicContact CG2-CG 3.98Å |
| 36 | Y | 96.6 | Very high | 90.1 | Very high | 57 Ų | 57 | 66.2 Ų | 66.2 | 22% | 0.224 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 141.7 | 176.5 | -62.1 | -92.5 | 0 | 0 | 0 | 110.3 | L23 Q25 E26 V34 A48 V49 K51 | L23-Y36 HydrophobicContact CD1-CD1 4.47Å; L23-Y36 HydrophobicContact CD1-CD2 4.31Å; L23-Y36 HydrophobicContact CD1-CG 4.23Å; L23-Y36 HydrophobicContact CD2-CG 4.46Å; Q25-Y36 CarbonylContact O-C 3.6Å; Q25-Y36 WeakPolarHBondContact O-CA 3.23Å; E26-Y36 HydrophobicContact CB-CD1 4.32Å; E26-Y36 HydrophobicContact CB-CE1 4.2Å; V34-Y36 HydrophobicContact CB-CE2 3.7Å; V34-Y36 HydrophobicContact CG1-CD2 4.22Å; V34-Y36 HydrophobicContact CG1-CE1 4.22Å; V34-Y36 HydrophobicContact CG1-CE2 3.54Å; Y36-A48 CarbonylContact O-C 3.57Å; Y36-A48 WeakPolarHBondContact O-CA 3.45Å; Y36-V49 PolarHBondContact N-O 3.01Å; Y36-V49 PolarHBondContact O-N 2.92Å; Y36-K51 HydrophobicContact CE2-CB 4.25Å |
| 37 | E | 96.4 | Very high | 90.1 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 134.5 | 154.2 | 179.8 | 176.9 | -178.6 | 0 | 0 | 108.3 | I24 Q25 V27 R46 F134 | I24-E37 HydrophobicContact CB-CG 4.48Å; I24-E37 WeakPolarHBondContact CB-O 3.46Å; I24-E37 HydrophobicContact CD1-CG 4.29Å; I24-E37 PolarHBondContact N-O 3.38Å; Q25-E37 HydrophobicContact CG-CB 4.04Å; Q25-E37 PolarHBondContact NE2-OE2 2.87Å; Q25-E37 PolarHBondContact O-N 3.16Å; V27-E37 HydrophobicContact CG1-CB 3.71Å; E37-R46 VanDerWaalsContact CD-NH2 3.35Å; E37-R46 IonicContact OE1-CZ 3.01Å; E37-R46 IonicContact OE1-NE 2.94Å; E37-R46 PolarHBondContact OE1-NE 3.21Å; E37-R46 IonicContact OE1-NH2 2.74Å; E37-R46 PolarHBondContact OE1-NH2 3.39Å; E37-R46 IonicContact OE2-NH2 3.15Å; E37-F134 HydrophobicContact CB-CD2 4.33Å; E37-F134 HydrophobicContact CB-CE2 3.74Å; E37-F134 HydrophobicContact CB-CZ 4.41Å; E37-F134 HydrophobicContact CG-CD2 4.14Å; E37-F134 HydrophobicContact CG-CE2 3.75Å; E37-F134 HydrophobicContact CG-CZ 4.15Å |
| 38 | A | 96.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 162.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D22 L23 R46 V47 V49 | D22-A38 CarbonylContact O-C 3.51Å; D22-A38 WeakPolarHBondContact O-CA 3.38Å; D22-A38 VanDerWaalsContact O-CB 3.32Å; D22-A38 WeakPolarHBondContact O-CB 3.48Å; L23-A38 HydrophobicContact CD2-CB 3.78Å; A38-R46 CarbonylContact O-C 3.47Å; A38-R46 WeakPolarHBondContact O-CA 3.22Å; A38-V47 HydrophobicContact CB-CG2 3.96Å; A38-V47 PolarHBondContact N-O 3.3Å; A38-V47 PolarHBondContact O-N 3.21Å; A38-V49 HydrophobicContact CB-CB 4.48Å; A38-V49 HydrophobicContact CB-CG2 3.65Å |
| 39 | V | 95.6 | Very high | 90.7 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.8 | 175.3 | 164.2 | 0 | 0 | 0 | 0 | 110.9 | Y21 D22 I24 K41 A45 R46 | Y21-V39 WeakPolarHBondContact CA-O 3.46Å; D22-V39 PolarHBondContact N-O 3.41Å; D22-V39 PolarHBondContact O-N 2.97Å; I24-V39 HydrophobicContact CD1-CB 4.13Å; I24-V39 HydrophobicContact CD1-CG2 3.43Å; I24-V39 VanDerWaalsContact CD1-CG2 3.43Å; V39-K41 PolarHBondContact O-N 2.85Å; V39-A45 CarbonylContact C-O 3.6Å; V39-A45 WeakPolarHBondContact CA-O 3.14Å; V39-R46 HydrophobicContact CG2-CG 4.17Å |
| 40 | V | 94.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 115.3 | 171.9 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | Y21 R42 S43 G44 A45 V47 | Y21-V40 HydrophobicContact CD1-CG2 4.03Å; Y21-V40 HydrophobicContact CE1-CG2 3.73Å; V40-R42 PolarHBondContact O-N 3.37Å; V40-R42 VanDerWaalsContact O-N 3.1Å; V40-S43 WeakPolarHBondContact CB-OG 3.48Å; V40-S43 WeakPolarHBondContact CG1-OG 3.41Å; V40-S43 PolarHBondContact O-N 2.86Å; V40-G44 WeakPolarHBondContact O-CA 3.42Å; V40-G44 PolarHBondContact O-N 2.94Å; V40-A45 HydrophobicContact CB-CB 4.41Å; V40-A45 HydrophobicContact CG2-CB 4.24Å; V40-A45 PolarHBondContact N-O 3.31Å; V40-V47 HydrophobicContact CG2-CG1 3.88Å; V40-V47 HydrophobicContact CG2-CG2 4.4Å |
| 41 | K | 90.4 | Very high | 92.1 | Very high | 93 Ų | 93 | 51.4 Ų | 51.4 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -39.2 | -174.6 | -76.8 | -172.6 | 177.8 | 165 | 0 | 114.9 | P19 K20 D22 V39 | P19-K41 WeakPolarHBondContact O-CD 3.29Å; P19-K41 WeakPolarHBondContact O-CE 3.08Å; P19-K41 PolarHBondContact O-NZ 3.23Å; K20-K41 PolarHBondContact O-N 3.11Å; K20-K41 VanDerWaalsContact O-N 3.07Å; D22-K41 WeakPolarHBondContact OD1-CE 3.46Å; D22-K41 IonicContact OD1-NZ 3.94Å; D22-K41 PolarHBondContact OD1-NZ 2.9Å; D22-K41 WeakPolarHBondContact OD2-CE 3.27Å; D22-K41 VanDerWaalsContact OD2-CG 3.31Å; D22-K41 WeakPolarHBondContact OD2-CG 3.45Å; V39-K41 PolarHBondContact O-N 2.85Å |
| 42 | R | 90.3 | Very high | 93.3 | Very high | 222 Ų | 222 | 46.3 Ų | 46.3 | 84% | 0.838 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -38.2 | -174.1 | -170.4 | -179.9 | -174.5 | 173.1 | 9.3 | 112.8 | E5 V40 | E5-R42 IonicContact OE1-NH2 3.22Å; E5-R42 PolarHBondContact OE1-NH2 3.48Å; V40-R42 PolarHBondContact O-N 3.37Å; V40-R42 VanDerWaalsContact O-N 3.1Å |
| 43 | S | 92.8 | Very high | 94 | Very high | 84 Ų | 84 | 49 Ų | 49 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -17.2 | -171 | 57.9 | 0 | 0 | 0 | 0 | 114 | V40 A45 | V40-S43 WeakPolarHBondContact CB-OG 3.48Å; V40-S43 WeakPolarHBondContact CG1-OG 3.41Å; V40-S43 PolarHBondContact O-N 2.86Å; S43-A45 PolarHBondContact O-N 2.95Å; S43-A45 WeakPolarHBondContact OG-CB 3.45Å; S43-A45 PolarHBondContact OG-N 2.74Å |
| 44 | G | 92.3 | Very high | 94.2 | Very high | 48 Ų | 48 | 48.6 Ų | 48.6 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | trans | 73 | 5.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V40 | V40-G44 WeakPolarHBondContact O-CA 3.42Å; V40-G44 PolarHBondContact O-N 2.94Å | ||
| 45 | A | 93 | Very high | 94.1 | Very high | 47 Ų | 47 | 53 Ų | 53 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | trans | -67.3 | 137.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V39 V40 S43 | V39-A45 CarbonylContact C-O 3.6Å; V39-A45 WeakPolarHBondContact CA-O 3.14Å; V40-A45 HydrophobicContact CB-CB 4.41Å; V40-A45 HydrophobicContact CG2-CB 4.24Å; V40-A45 PolarHBondContact N-O 3.31Å; S43-A45 PolarHBondContact O-N 2.95Å; S43-A45 WeakPolarHBondContact OG-CB 3.45Å; S43-A45 PolarHBondContact OG-N 2.74Å | ||
| 46 | R | 95.3 | Very high | 93.9 | Very high | 121 Ų | 121 | 52.4 Ų | 52.4 | 46% | 0.457 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 136.3 | 175.1 | -65.1 | 171.2 | 73.4 | -155.7 | 11.7 | 110.1 | E37 A38 V39 F134 | E37-R46 VanDerWaalsContact CD-NH2 3.35Å; E37-R46 IonicContact OE1-CZ 3.01Å; E37-R46 IonicContact OE1-NE 2.94Å; E37-R46 PolarHBondContact OE1-NE 3.21Å; E37-R46 IonicContact OE1-NH2 2.74Å; E37-R46 PolarHBondContact OE1-NH2 3.39Å; E37-R46 IonicContact OE2-NH2 3.15Å; A38-R46 CarbonylContact O-C 3.47Å; A38-R46 WeakPolarHBondContact O-CA 3.22Å; V39-R46 HydrophobicContact CG2-CG 4.17Å; R46-F134 HydrophobicContact CB-CB 4.32Å; R46-F134 HydrophobicContact CB-CG 4.48Å |
| 47 | V | 96.2 | Very high | 93.5 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 157.5 | 176.6 | -63 | 0 | 0 | 0 | 0 | 109.8 | Y21 A38 V40 V49 V131 M132 | Y21-V47 HydrophobicContact CD1-CG2 3.7Å; Y21-V47 HydrophobicContact CE1-CG2 3.94Å; A38-V47 HydrophobicContact CB-CG2 3.96Å; A38-V47 PolarHBondContact N-O 3.3Å; A38-V47 PolarHBondContact O-N 3.21Å; V40-V47 HydrophobicContact CG2-CG1 3.88Å; V40-V47 HydrophobicContact CG2-CG2 4.4Å; V47-V49 HydrophobicContact CG2-CG2 4.22Å; V47-V131 HydrophobicContact CB-CG1 4.07Å; V47-V131 HydrophobicContact CG1-CG1 4.3Å; V47-V131 HydrophobicContact CG2-CG1 4.03Å; V47-M132 WeakPolarHBondContact CB-O 3.48Å |
| 48 | A | 96.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 137.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V35 Y36 V131 M132 F134 | V35-A48 HydrophobicContact CG1-CB 4.29Å; Y36-A48 CarbonylContact O-C 3.57Å; Y36-A48 WeakPolarHBondContact O-CA 3.45Å; A48-V131 WeakPolarHBondContact O-CA 3.07Å; A48-M132 PolarHBondContact N-O 2.83Å; A48-M132 PolarHBondContact O-N 2.79Å; A48-F134 HydrophobicContact CB-CD2 4.25Å |
| 49 | V | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 104.6 | 175.6 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | L23 V35 Y36 A38 V47 W129 F130 V131 | L23-V49 HydrophobicContact CD2-CB 3.97Å; L23-V49 HydrophobicContact CD2-CG1 4.1Å; L23-V49 HydrophobicContact CD2-CG2 4.09Å; V35-V49 WeakPolarHBondContact CA-O 3.3Å; Y36-V49 PolarHBondContact N-O 3.01Å; Y36-V49 PolarHBondContact O-N 2.92Å; A38-V49 HydrophobicContact CB-CB 4.48Å; A38-V49 HydrophobicContact CB-CG2 3.65Å; V47-V49 HydrophobicContact CG2-CG2 4.22Å; V49-W129 HydrophobicContact CG1-CB 4.25Å; V49-W129 HydrophobicContact CG1-CD2 4.19Å; V49-W129 HydrophobicContact CG1-CE3 3.58Å; V49-W129 HydrophobicContact CG1-CZ3 4.3Å; V49-F130 WeakPolarHBondContact CA-O 3.49Å; V49-V131 HydrophobicContact CG2-CG2 4.45Å |
| 50 | K | 95.2 | Very high | 92.7 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 7% | 0.065 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 118.2 | 170.5 | -175.3 | -179.1 | -169.5 | -172 | 0 | 108.7 | V35 I52 E66 W129 F130 M132 D203 | V35-K50 HydrophobicContact CG2-CB 4.08Å; V35-K50 HydrophobicContact CG2-CG 3.98Å; K50-I52 HydrophobicContact CG-CG1 4.38Å; K50-E66 WeakPolarHBondContact CD-OE1 3.31Å; K50-E66 WeakPolarHBondContact CE-OE2 3.1Å; K50-E66 IonicContact NZ-OE1 3.2Å; K50-E66 PolarHBondContact NZ-OE1 3.18Å; K50-E66 IonicContact NZ-OE2 2.61Å; K50-E66 PolarHBondContact NZ-OE2 3.17Å; K50-W129 CarbonylContact O-C 3.38Å; K50-W129 WeakPolarHBondContact O-CA 3.49Å; K50-F130 HydrophobicContact CB-CB 4.22Å; K50-F130 HydrophobicContact CB-CD2 4.46Å; K50-F130 PolarHBondContact N-O 2.73Å; K50-F130 PolarHBondContact O-N 3.32Å; K50-M132 HydrophobicContact CB-CE 3.67Å; K50-D203 IonicContact NZ-OD1 3.56Å; K50-D203 PolarHBondContact NZ-OD1 3.24Å; K50-D203 IonicContact NZ-OD2 2.75Å |
| 51 | K | 94.1 | Very high | 92.5 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 115.7 | -179.4 | -172 | 174.2 | -178.3 | 173.9 | 0 | 109.7 | G33 V34 Y36 Y127 L128 W129 | G33-K51 WeakPolarHBondContact CA-O 3.33Å; V34-K51 PolarHBondContact N-O 2.84Å; V34-K51 PolarHBondContact O-N 2.87Å; Y36-K51 HydrophobicContact CE2-CB 4.25Å; K51-Y127 HydrophobicContact CD-CD1 4.12Å; K51-Y127 VanDerWaalsContact CE-CG 3.43Å; K51-Y127 HydrophobicContact CG-CD1 3.84Å; K51-Y127 HydrophobicContact CG-CG 4.37Å; K51-L128 WeakPolarHBondContact CA-O 3.42Å; K51-W129 HydrophobicContact CD-CZ2 4.1Å |
| 52 | I | 93.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.1 | 177.8 | -60.4 | -177.5 | 0 | 0 | 0 | 108.9 | Y32 K50 A63 Y127 L128 F130 | Y32-I52 WeakPolarHBondContact O-CG2 3.42Å; K50-I52 HydrophobicContact CG-CG1 4.38Å; I52-A63 HydrophobicContact CB-CB 4.31Å; I52-A63 HydrophobicContact CD1-CB 4.03Å; I52-A63 HydrophobicContact CG2-CB 3.9Å; I52-Y127 CarbonylContact O-C 3.57Å; I52-Y127 VanDerWaalsContact O-CA 3.23Å; I52-Y127 WeakPolarHBondContact O-CA 3.16Å; I52-L128 PolarHBondContact N-O 2.78Å; I52-L128 PolarHBondContact O-N 3.31Å; I52-F130 HydrophobicContact CD1-CD2 4.37Å; I52-F130 HydrophobicContact CD1-CE2 3.75Å; I52-F130 HydrophobicContact CG1-CE2 4.21Å |
| 53 | R | 93.1 | Very high | 92.4 | Very high | 134 Ų | 134 | 42.8 Ų | 42.8 | 51% | 0.506 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.3 | 176.4 | -172.3 | 179.2 | 178.1 | -171.3 | 1.2 | 109.7 | H55 N59 Y127 | R53-H55 VanDerWaalsContact C-N 3.29Å; R53-H55 HydrophobicContact CG-CB 4.17Å; R53-H55 PolarHBondContact O-CD2 3.04Å; R53-H55 PolarHBondContact O-N 3.03Å; R53-N59 PolarHBondContact O-ND2 3.46Å; R53-Y127 HydrophobicContact CB-CD1 3.83Å; R53-Y127 HydrophobicContact CB-CE1 3.58Å; R53-Y127 HydrophobicContact CG-CD1 4.08Å; R53-Y127 HydrophobicContact CG-CE1 3.58Å |
| 54 | C | 92 | Very high | 92.4 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | trans | -84 | 69 | 179.6 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | V60 L109 F120 Y126 | C54-V60 HydrophobicContact CB-CG2 3.64Å; C54-L109 HydrophobicContact CB-CD2 4.13Å; C54-F120 HydrophobicContact CB-CZ 4.37Å; C54-F120 VanDerWaalsContact O-CZ 3.31Å; C54-F120 WeakPolarHBondContact O-CZ 2.89Å; C54-Y126 PolarHBondContact N-O 3.25Å | ||
| 55 | H | 90.1 | Very high | 92.3 | Very high | 109 Ų | 109 | 39 Ų | 39 | 51% | 0.505 | 18% | 0.184 | S | C | . | . | trans | -107.8 | -5.6 | -178.5 | 68 | 68.9 | 0 | 0 | 0 | 114.1 | R53 N59 | R53-H55 VanDerWaalsContact C-N 3.29Å; R53-H55 HydrophobicContact CG-CB 4.17Å; R53-H55 PolarHBondContact O-CD2 3.04Å; R53-H55 PolarHBondContact O-N 3.03Å; H55-N59 PolarHBondContact CE1-ND2 2.93Å; H55-N59 PolarHBondContact NE2-ND2 3.3Å | ||
| 56 | S | 90.6 | Very high | 92.2 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 16% | 0.161 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -143.1 | 155.8 | 174.2 | 80.2 | 0 | 0 | 0 | 0 | 109.6 | E58 N59 V60 | S56-E58 WeakPolarHBondContact CB-OE2 3.48Å; S56-E58 PolarHBondContact O-N 3.03Å; S56-E58 PolarHBondContact OG-OE2 2.56Å; S56-N59 PolarHBondContact O-N 2.83Å; S56-N59 PolarHBondContact OG-N 2.87Å; S56-V60 WeakPolarHBondContact O-CG2 3.41Å; S56-V60 PolarHBondContact O-N 3.18Å; S56-V60 VanDerWaalsContact O-N 3.09Å |
| 57 | P | 89.8 | Confident | 92.1 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 14% | 0.143 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.6 | -36.4 | 178.7 | -24.5 | 35 | 0 | 0 | 0 | 113 | V60 E61 T112 G116 I118 | P57-V60 PolarHBondContact O-N 3.32Å; P57-E61 WeakPolarHBondContact O-CB 3.36Å; P57-E61 PolarHBondContact O-N 3.15Å; P57-T112 HydrophobicContact CB-CG2 4.37Å; P57-G116 VanDerWaalsContact CG-C 3.43Å; P57-G116 VanDerWaalsContact CG-O 3.31Å; P57-G116 WeakPolarHBondContact CG-O 3.49Å; P57-I118 HydrophobicContact CG-CD1 4.4Å |
| 58 | E | 89.3 | Confident | 91.8 | Very high | 114 Ų | 114 | 34.3 Ų | 34.3 | 53% | 0.533 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.6 | -43.8 | 179.3 | -52.3 | 77.6 | -169.1 | 0 | 0 | 111.2 | S56 V60 E61 L62 | S56-E58 WeakPolarHBondContact CB-OE2 3.48Å; S56-E58 PolarHBondContact O-N 3.03Å; S56-E58 PolarHBondContact OG-OE2 2.56Å; E58-V60 VanDerWaalsContact C-N 3.31Å; E58-V60 PolarHBondContact O-N 2.9Å; E58-E61 PolarHBondContact O-N 3.46Å; E58-L62 VanDerWaalsContact O-CG 3.29Å; E58-L62 WeakPolarHBondContact O-CG 3.2Å; E58-L62 PolarHBondContact O-N 2.86Å |
| 59 | N | 89.7 | Confident | 91.5 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.4 | -35.4 | 176.5 | -78.3 | -7.7 | 0 | 0 | 0 | 112.1 | R53 H55 S56 A63 | R53-N59 PolarHBondContact O-ND2 3.46Å; H55-N59 PolarHBondContact CE1-ND2 2.93Å; H55-N59 PolarHBondContact NE2-ND2 3.3Å; S56-N59 PolarHBondContact O-N 2.83Å; S56-N59 PolarHBondContact OG-N 2.87Å; N59-A63 VanDerWaalsContact O-CB 3.3Å; N59-A63 WeakPolarHBondContact O-CB 3.38Å; N59-A63 PolarHBondContact O-N 2.79Å |
| 60 | V | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -46.7 | 174.1 | 173 | 0 | 0 | 0 | 0 | 110.6 | C54 S56 P57 E58 L62 A63 L64 L109 T112 F120 | C54-V60 HydrophobicContact CB-CG2 3.64Å; S56-V60 WeakPolarHBondContact O-CG2 3.41Å; S56-V60 PolarHBondContact O-N 3.18Å; S56-V60 VanDerWaalsContact O-N 3.09Å; P57-V60 PolarHBondContact O-N 3.32Å; E58-V60 VanDerWaalsContact C-N 3.31Å; E58-V60 PolarHBondContact O-N 2.9Å; V60-L62 PolarHBondContact O-N 3.44Å; V60-A63 PolarHBondContact O-N 3.13Å; V60-L64 HydrophobicContact CG1-CD1 3.98Å; V60-L64 HydrophobicContact CG1-CG 4.37Å; V60-L64 WeakPolarHBondContact O-CB 3.39Å; V60-L64 WeakPolarHBondContact O-CG 3.29Å; V60-L64 PolarHBondContact O-N 3.26Å; V60-L109 HydrophobicContact CG1-CB 4.01Å; V60-L109 HydrophobicContact CG1-CD2 4.03Å; V60-L109 WeakPolarHBondContact CG1-O 3.32Å; V60-L109 HydrophobicContact CG2-CD2 4.05Å; V60-T112 HydrophobicContact CB-CG2 4Å; V60-T112 HydrophobicContact CG1-CG2 4.05Å; V60-T112 HydrophobicContact CG2-CG2 3.87Å; V60-F120 HydrophobicContact CG2-CE1 4.47Å; V60-F120 HydrophobicContact CG2-CZ 4.43Å |
| 61 | E | 90.3 | Very high | 91.1 | Very high | 70 Ų | 70 | 35.6 Ų | 35.6 | 33% | 0.327 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 178.5 | -177.9 | 178 | -168.3 | 0 | 0 | 111.5 | P57 E58 A63 L64 R65 | P57-E61 WeakPolarHBondContact O-CB 3.36Å; P57-E61 PolarHBondContact O-N 3.15Å; E58-E61 PolarHBondContact O-N 3.46Å; E61-A63 PolarHBondContact O-N 2.91Å; E61-L64 PolarHBondContact O-N 3.11Å; E61-R65 WeakPolarHBondContact O-CB 3.4Å; E61-R65 VanDerWaalsContact O-CG 3.29Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.39Å; E61-R65 IonicContact OE1-CZ 2.64Å; E61-R65 IonicContact OE1-NE 3.48Å; E61-R65 PolarHBondContact OE1-NE 2.89Å; E61-R65 IonicContact OE1-NH2 2.68Å; E61-R65 PolarHBondContact OE1-NH2 3Å |
| 62 | L | 88.1 | Confident | 90.8 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 178.9 | -68.5 | 170.3 | 0 | 0 | 0 | 112.3 | Y32 E58 V60 R65 E66 G205 L206 | Y32-L62 HydrophobicContact CD1-CD1 3.17Å; Y32-L62 HydrophobicContact CD2-CD1 4.02Å; Y32-L62 HydrophobicContact CE1-CD1 3.19Å; Y32-L62 HydrophobicContact CE2-CD1 4.03Å; Y32-L62 HydrophobicContact CG-CD1 3.6Å; E58-L62 VanDerWaalsContact O-CG 3.29Å; E58-L62 WeakPolarHBondContact O-CG 3.2Å; E58-L62 PolarHBondContact O-N 2.86Å; V60-L62 PolarHBondContact O-N 3.44Å; L62-R65 PolarHBondContact O-N 3.44Å; L62-E66 PolarHBondContact O-N 3.45Å; L62-G205 VanDerWaalsContact CD2-O 3.24Å; L62-G205 WeakPolarHBondContact CD2-O 3.37Å; L62-L206 HydrophobicContact CD2-CD2 3.65Å |
| 63 | A | 91.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I52 N59 V60 E61 E66 F67 L128 F130 | I52-A63 HydrophobicContact CB-CB 4.31Å; I52-A63 HydrophobicContact CD1-CB 4.03Å; I52-A63 HydrophobicContact CG2-CB 3.9Å; N59-A63 VanDerWaalsContact O-CB 3.3Å; N59-A63 WeakPolarHBondContact O-CB 3.38Å; N59-A63 PolarHBondContact O-N 2.79Å; V60-A63 PolarHBondContact O-N 3.13Å; E61-A63 PolarHBondContact O-N 2.91Å; A63-E66 PolarHBondContact O-N 3.32Å; A63-F67 WeakPolarHBondContact O-CB 3.17Å; A63-F67 PolarHBondContact O-N 2.9Å; A63-L128 HydrophobicContact CB-CB 4.36Å; A63-L128 HydrophobicContact CB-CD1 3.46Å; A63-L128 VanDerWaalsContact CB-CD1 3.46Å; A63-L128 HydrophobicContact CB-CG 4.49Å; A63-F130 HydrophobicContact CB-CZ 4.47Å; A63-F130 WeakPolarHBondContact O-CZ 3.44Å |
| 64 | L | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.9 | -39.6 | 174.9 | -74 | 177 | 0 | 0 | 0 | 112 | V60 E61 F67 W68 M97 Y106 L109 V110 | V60-L64 HydrophobicContact CG1-CD1 3.98Å; V60-L64 HydrophobicContact CG1-CG 4.37Å; V60-L64 WeakPolarHBondContact O-CB 3.39Å; V60-L64 WeakPolarHBondContact O-CG 3.29Å; V60-L64 PolarHBondContact O-N 3.26Å; E61-L64 PolarHBondContact O-N 3.11Å; L64-F67 PolarHBondContact O-N 2.71Å; L64-W68 HydrophobicContact CB-CD2 4.39Å; L64-W68 HydrophobicContact CB-CE3 4.37Å; L64-W68 HydrophobicContact CB-CH2 4Å; L64-W68 HydrophobicContact CB-CZ2 4.01Å; L64-W68 HydrophobicContact CB-CZ3 4.17Å; L64-W68 HydrophobicContact CD1-CH2 4.17Å; L64-W68 HydrophobicContact CD1-CZ2 4.14Å; L64-W68 HydrophobicContact CD2-CZ2 4.34Å; L64-W68 HydrophobicContact CG-CZ2 4.41Å; L64-W68 WeakPolarHBondContact O-CB 3.4Å; L64-W68 VanDerWaalsContact O-CD2 3.25Å; L64-W68 PolarHBondContact O-N 3.26Å; L64-M97 HydrophobicContact CD2-CE 4.46Å; L64-Y106 HydrophobicContact CD2-CE2 3.97Å; L64-L109 HydrophobicContact CD1-CB 4.34Å; L64-L109 HydrophobicContact CD2-CB 4.38Å; L64-V110 HydrophobicContact CD1-CG2 4.24Å |
| 65 | R | 90 | Very high | 90 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 19% | 0.192 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 173.9 | -74.8 | 173.6 | 179.9 | -172.6 | 0.5 | 111.6 | E61 L62 F67 W68 A69 | E61-R65 WeakPolarHBondContact O-CB 3.4Å; E61-R65 VanDerWaalsContact O-CG 3.29Å; E61-R65 WeakPolarHBondContact O-CG 3.48Å; E61-R65 PolarHBondContact O-N 3.39Å; E61-R65 IonicContact OE1-CZ 2.64Å; E61-R65 IonicContact OE1-NE 3.48Å; E61-R65 PolarHBondContact OE1-NE 2.89Å; E61-R65 IonicContact OE1-NH2 2.68Å; E61-R65 PolarHBondContact OE1-NH2 3Å; L62-R65 PolarHBondContact O-N 3.44Å; R65-F67 PolarHBondContact O-N 3.39Å; R65-W68 PolarHBondContact O-N 3.23Å; R65-A69 WeakPolarHBondContact O-CB 3.39Å; R65-A69 PolarHBondContact O-N 2.79Å |
| 66 | E | 92.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.4 | -174.9 | 158.4 | -159.9 | 0 | 0 | 111.6 | K50 L62 A63 A69 L70 F130 F204 | K50-E66 WeakPolarHBondContact CD-OE1 3.31Å; K50-E66 WeakPolarHBondContact CE-OE2 3.1Å; K50-E66 IonicContact NZ-OE1 3.2Å; K50-E66 PolarHBondContact NZ-OE1 3.18Å; K50-E66 IonicContact NZ-OE2 2.61Å; K50-E66 PolarHBondContact NZ-OE2 3.17Å; L62-E66 PolarHBondContact O-N 3.45Å; A63-E66 PolarHBondContact O-N 3.32Å; E66-A69 PolarHBondContact O-N 3.5Å; E66-L70 HydrophobicContact CG-CD1 3.88Å; E66-L70 WeakPolarHBondContact O-CB 3.4Å; E66-L70 PolarHBondContact O-N 2.77Å; E66-F130 HydrophobicContact CB-CE1 4.11Å; E66-F130 HydrophobicContact CB-CZ 4.09Å; E66-F130 HydrophobicContact CG-CD1 4.12Å; E66-F130 HydrophobicContact CG-CE1 3.85Å; E66-F130 HydrophobicContact CG-CZ 4.13Å; E66-F204 HydrophobicContact CG-CB 4.25Å |
| 67 | F | 92.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -48.9 | 176.2 | 174.4 | -111.4 | 0 | 0 | 0 | 112 | A63 L64 R65 S71 C86 M97 Y106 F130 | A63-F67 WeakPolarHBondContact O-CB 3.17Å; A63-F67 PolarHBondContact O-N 2.9Å; L64-F67 PolarHBondContact O-N 2.71Å; R65-F67 PolarHBondContact O-N 3.39Å; F67-S71 WeakPolarHBondContact O-CB 3.22Å; F67-S71 PolarHBondContact O-N 3.36Å; F67-S71 PolarHBondContact O-OG 3.15Å; F67-C86 HydrophobicContact CD2-CB 3.56Å; F67-C86 HydrophobicContact CE2-CB 3.75Å; F67-M97 HydrophobicContact CB-CE 4.42Å; F67-M97 HydrophobicContact CD1-CE 3.57Å; F67-M97 HydrophobicContact CD2-CB 4.33Å; F67-M97 HydrophobicContact CD2-CE 4.01Å; F67-M97 HydrophobicContact CE1-CE 3.73Å; F67-M97 HydrophobicContact CE2-CB 3.61Å; F67-M97 HydrophobicContact CE2-CE 4.16Å; F67-M97 HydrophobicContact CG-CE 3.72Å; F67-M97 HydrophobicContact CZ-CB 3.71Å; F67-M97 HydrophobicContact CZ-CE 4.02Å; F67-Y106 HydrophobicContact CD1-CE2 4.44Å; F67-Y106 HydrophobicContact CE1-CE2 4.16Å; F67-F130 HydrophobicContact CB-CE1 3.89Å; F67-F130 HydrophobicContact CB-CZ 4.32Å |
| 68 | W | 90.4 | Very high | 90.6 | Very high | 80 Ų | 80 | 47.2 Ų | 47.2 | 30% | 0.303 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66 | -39.8 | -179.9 | -63.7 | -30.8 | 0 | 0 | 0 | 112.3 | L64 R65 S71 S72 Y106 V110 | L64-W68 HydrophobicContact CB-CD2 4.39Å; L64-W68 HydrophobicContact CB-CE3 4.37Å; L64-W68 HydrophobicContact CB-CH2 4Å; L64-W68 HydrophobicContact CB-CZ2 4.01Å; L64-W68 HydrophobicContact CB-CZ3 4.17Å; L64-W68 HydrophobicContact CD1-CH2 4.17Å; L64-W68 HydrophobicContact CD1-CZ2 4.14Å; L64-W68 HydrophobicContact CD2-CZ2 4.34Å; L64-W68 HydrophobicContact CG-CZ2 4.41Å; L64-W68 WeakPolarHBondContact O-CB 3.4Å; L64-W68 VanDerWaalsContact O-CD2 3.25Å; L64-W68 PolarHBondContact O-N 3.26Å; R65-W68 PolarHBondContact O-N 3.23Å; W68-S71 PolarHBondContact O-OG 3.39Å; W68-S72 VanDerWaalsContact O-CB 3.22Å; W68-S72 WeakPolarHBondContact O-CB 3.41Å; W68-S72 PolarHBondContact O-N 3.47Å; W68-S72 VanDerWaalsContact O-N 3.09Å; W68-S72 PolarHBondContact O-OG 2.71Å; W68-Y106 PolarHBondContact NE1-OH 2.75Å; W68-V110 HydrophobicContact CZ2-CG2 4.34Å |
| 69 | A | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -55.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | R65 E66 S71 S72 F204 V209 | R65-A69 WeakPolarHBondContact O-CB 3.39Å; R65-A69 PolarHBondContact O-N 2.79Å; E66-A69 PolarHBondContact O-N 3.5Å; A69-S71 PolarHBondContact O-N 3.34Å; A69-S72 PolarHBondContact O-N 3.19Å; A69-S72 PolarHBondContact O-OG 2.9Å; A69-F204 HydrophobicContact CB-CB 3.9Å; A69-F204 HydrophobicContact CB-CD1 4.1Å; A69-F204 HydrophobicContact CB-CG 4.35Å; A69-V209 HydrophobicContact CB-CG2 4.12Å |
| 70 | L | 91.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.6 | -36.8 | -176.7 | -70.7 | 170.4 | 0 | 0 | 0 | 113.1 | E66 S72 I73 I81 L83 F130 M132 F204 | E66-L70 HydrophobicContact CG-CD1 3.88Å; E66-L70 WeakPolarHBondContact O-CB 3.4Å; E66-L70 PolarHBondContact O-N 2.77Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 3.36Å; L70-I73 HydrophobicContact CD2-CD1 4.47Å; L70-I73 PolarHBondContact O-N 3.02Å; L70-I81 HydrophobicContact CD2-CG2 4.01Å; L70-L83 HydrophobicContact CB-CB 3.94Å; L70-L83 HydrophobicContact CB-CD2 3.58Å; L70-L83 HydrophobicContact CB-CG 4.31Å; L70-L83 HydrophobicContact CD1-CB 4.25Å; L70-L83 HydrophobicContact CD1-CD1 4.33Å; L70-L83 HydrophobicContact CD1-CD2 4.36Å; L70-L83 HydrophobicContact CG-CB 4.49Å; L70-F130 HydrophobicContact CD1-CD1 4.44Å; L70-M132 HydrophobicContact CD1-SD 4.48Å; L70-F204 HydrophobicContact CD1-CD2 4.48Å; L70-F204 HydrophobicContact CD2-CD2 3.54Å; L70-F204 HydrophobicContact CD2-CE2 3.78Å; L70-F204 HydrophobicContact CD2-CG 4.05Å; L70-F204 HydrophobicContact CD2-CZ 4.45Å; L70-F204 HydrophobicContact CG-CB 4.31Å; L70-F204 HydrophobicContact CG-CD2 4.03Å; L70-F204 HydrophobicContact CG-CG 4.2Å |
| 71 | S | 90.3 | Very high | 91.5 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 30% | 0.301 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -74.5 | -18.2 | 178.1 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | F67 W68 A69 I73 | F67-S71 WeakPolarHBondContact O-CB 3.22Å; F67-S71 PolarHBondContact O-N 3.36Å; F67-S71 PolarHBondContact O-OG 3.15Å; W68-S71 PolarHBondContact O-OG 3.39Å; A69-S71 PolarHBondContact O-N 3.34Å; S71-I73 VanDerWaalsContact C-N 3.29Å |
| 72 | S | 88.5 | Confident | 91.7 | Very high | 39 Ų | 39 | 40.5 Ų | 40.5 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -77.1 | -15.6 | 176.7 | 72.1 | 0 | 0 | 0 | 0 | 113.5 | W68 A69 L70 Q74 | W68-S72 VanDerWaalsContact O-CB 3.22Å; W68-S72 WeakPolarHBondContact O-CB 3.41Å; W68-S72 PolarHBondContact O-N 3.47Å; W68-S72 VanDerWaalsContact O-N 3.09Å; W68-S72 PolarHBondContact O-OG 2.71Å; A69-S72 PolarHBondContact O-N 3.19Å; A69-S72 PolarHBondContact O-OG 2.9Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 3.36Å; S72-Q74 PolarHBondContact O-N 2.81Å |
| 73 | I | 89 | Confident | 92 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 18% | 0.179 | 21% | 0.212 | C | C | . | . | trans | -74.7 | 111.1 | 179.3 | -62.5 | 174.1 | 0 | 0 | 0 | 110 | L70 S71 S75 V80 F167 L168 I173 | L70-I73 HydrophobicContact CD2-CD1 4.47Å; L70-I73 PolarHBondContact O-N 3.02Å; S71-I73 VanDerWaalsContact C-N 3.29Å; I73-S75 WeakPolarHBondContact CG2-O 3.46Å; I73-V80 HydrophobicContact CD1-CG1 4.19Å; I73-F167 HydrophobicContact CG2-CE1 3.83Å; I73-F167 HydrophobicContact CG2-CZ 3.73Å; I73-L168 HydrophobicContact CD1-CD2 4.37Å; I73-I173 HydrophobicContact CD1-CD1 3.93Å; I73-I173 HydrophobicContact CG1-CD1 3.48Å; I73-I173 VanDerWaalsContact CG1-CD1 3.48Å | ||
| 74 | Q | 82.9 | Confident | 92.1 | Very high | 187 Ų | 187 | 45.7 Ų | 45.7 | 87% | 0.874 | 23% | 0.233 | S | C | * | . | trans | -83.5 | -19.2 | -176.1 | -63.8 | -179 | -4.6 | 0 | 0 | 114.6 | S72 | S72-Q74 PolarHBondContact O-N 2.81Š| ||
| 75 | S | 89.9 | Confident | 92.1 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 46% | 0.462 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -135.9 | 144.3 | -177.1 | 57.7 | 0 | 0 | 0 | 0 | 110.4 | I73 F167 | I73-S75 WeakPolarHBondContact CG2-O 3.46Å; S75-F167 WeakPolarHBondContact O-CZ 3.39Å |
| 76 | Q | 91.9 | Very high | 92.3 | Very high | 145 Ų | 145 | 44.2 Ų | 44.2 | 68% | 0.678 | 23% | 0.229 | S | C | * | . | trans | -73.1 | 142.2 | 177.9 | -67.4 | -179.8 | -1.4 | 0 | 0 | 110.8 | H82 | Q76-H82 PolarHBondContact NE2-CD2 2.79Å; Q76-H82 VanDerWaalsContact NE2-CD2 3.29Å; Q76-H82 PolarHBondContact NE2-CE1 2.79Å; Q76-H82 PolarHBondContact NE2-NE2 2.84Å | ||
| 77 | H | 95.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | trans | -120.1 | 135.1 | 171.6 | -170.8 | -90.1 | 0 | 0 | 0 | 109.4 | N79 V80 S163 F167 | H77-N79 PolarHBondContact ND1-N 3.33Å; H77-N79 VanDerWaalsContact ND1-N 3.11Å; H77-N79 PolarHBondContact O-N 3.3Å; H77-N79 VanDerWaalsContact O-N 3.14Å; H77-V80 HydrophobicContact CB-CB 4.18Å; H77-V80 HydrophobicContact CB-CG2 4.16Å; H77-V80 PolarHBondContact O-N 3.49Å; H77-S163 PolarHBondContact NE2-OG 3.49Å; H77-F167 HydrophobicContact CB-CD1 3.66Å; H77-F167 HydrophobicContact CB-CD2 3.92Å; H77-F167 HydrophobicContact CB-CE1 3.74Å; H77-F167 HydrophobicContact CB-CE2 3.99Å; H77-F167 HydrophobicContact CB-CG 3.75Å; H77-F167 HydrophobicContact CB-CZ 3.91Å; H77-F167 AromaticContact CD2-CD2 3.6Å; H77-F167 AromaticContact CD2-CG 3.58Å; H77-F167 AromaticContact CG-CD1 3.97Å; H77-F167 AromaticContact CG-CD2 3.97Å; H77-F167 AromaticContact CG-CG 3.67Å | ||
| 78 | P | 95.3 | Very high | 92.3 | Very high | 80 Ų | 80 | 45 Ų | 45 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.5 | -176.6 | 23 | -34.6 | 0 | 0 | 0 | 113.1 | K200 | P78-K200 WeakPolarHBondContact O-CG 3.35Š|
| 79 | N | 97.3 | Very high | 92.3 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 14.7 | -176.2 | -54 | 117.7 | 0 | 0 | 0 | 115.5 | H77 Q160 A164 L199 K200 V201 | H77-N79 PolarHBondContact ND1-N 3.33Å; H77-N79 VanDerWaalsContact ND1-N 3.11Å; H77-N79 PolarHBondContact O-N 3.3Å; H77-N79 VanDerWaalsContact O-N 3.14Å; N79-Q160 HydrophobicContact CB-CB 4.48Å; N79-Q160 WeakPolarHBondContact ND2-CG 3.4Å; N79-Q160 PolarHBondContact ND2-OE1 2.82Å; N79-A164 HydrophobicContact CB-CB 3.77Å; N79-A164 WeakPolarHBondContact O-CB 3.45Å; N79-L199 VanDerWaalsContact CA-O 3.24Å; N79-L199 WeakPolarHBondContact CA-O 3.49Å; N79-L199 HydrophobicContact CB-CD1 4.15Å; N79-L199 PolarHBondContact ND2-O 3.5Å; N79-K200 WeakPolarHBondContact O-CA 3.48Å; N79-V201 PolarHBondContact O-N 3.25Å |
| 80 | V | 97.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -121.7 | 141.5 | 170.5 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | I73 H77 H82 A164 F167 L168 F204 | I73-V80 HydrophobicContact CD1-CG1 4.19Å; H77-V80 HydrophobicContact CB-CB 4.18Å; H77-V80 HydrophobicContact CB-CG2 4.16Å; H77-V80 PolarHBondContact O-N 3.49Å; V80-H82 PolarHBondContact O-N 2.99Å; V80-A164 HydrophobicContact CG2-CB 4.12Å; V80-F167 HydrophobicContact CG2-CD1 3.91Å; V80-F167 HydrophobicContact CG2-CE1 4.45Å; V80-L168 HydrophobicContact CG1-CD2 4.12Å; V80-L168 HydrophobicContact CG2-CD2 4.12Å; V80-L168 HydrophobicContact CG2-CG 4.13Å; V80-F204 HydrophobicContact CG1-CE2 4.32Å; V80-F204 HydrophobicContact CG1-CZ 3.81Å |
| 81 | I | 95.8 | Very high | 92 | Very high | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | trans | -62 | 132.2 | 178.2 | -160.9 | 69.1 | 0 | 0 | 0 | 110 | L70 M132 D133 L184 K200 V201 A202 F204 | L70-I81 HydrophobicContact CD2-CG2 4.01Å; I81-M132 HydrophobicContact CG1-CB 4.04Å; I81-M132 HydrophobicContact CG1-CG 4.46Å; I81-M132 HydrophobicContact CG1-SD 4.17Å; I81-M132 HydrophobicContact CG2-SD 4.38Å; I81-D133 HydrophobicContact CD1-CB 3.92Å; I81-L184 HydrophobicContact CD1-CD1 4.27Å; I81-K200 HydrophobicContact CD1-CB 4.39Å; I81-K200 HydrophobicContact CD1-CD 4.21Å; I81-V201 WeakPolarHBondContact CB-O 3.39Å; I81-V201 PolarHBondContact N-O 3.4Å; I81-A202 HydrophobicContact CB-CB 4.14Å; I81-A202 HydrophobicContact CG2-CB 4.2Å; I81-F204 HydrophobicContact CG2-CD2 4.28Å; I81-F204 HydrophobicContact CG2-CE2 3.8Å | ||
| 82 | H | 94.7 | Very high | 91.6 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | trans | -88.6 | 131.9 | 177.9 | 173.7 | -113.9 | 0 | 0 | 0 | 110.3 | Q76 V80 E84 M132 D133 | Q76-H82 PolarHBondContact NE2-CD2 2.79Å; Q76-H82 VanDerWaalsContact NE2-CD2 3.29Å; Q76-H82 PolarHBondContact NE2-CE1 2.79Å; Q76-H82 PolarHBondContact NE2-NE2 2.84Å; V80-H82 PolarHBondContact O-N 2.99Å; H82-E84 IonicContact CE1-OE2 3.89Å; H82-E84 PolarHBondContact CE1-OE2 2.7Å; H82-M132 WeakPolarHBondContact O-CA 3.44Å; H82-M132 WeakPolarHBondContact O-CB 3.29Å; H82-D133 WeakPolarHBondContact CB-OD2 3.46Å; H82-D133 IonicContact ND1-OD1 3.52Å; H82-D133 PolarHBondContact O-N 2.99Å | ||
| 83 | L | 94.6 | Very high | 91.3 | Very high | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 110.2 | 169.8 | 179.2 | 71.2 | 0 | 0 | 0 | 109.2 | L70 E85 F130 M132 | L70-L83 HydrophobicContact CB-CB 3.94Å; L70-L83 HydrophobicContact CB-CD2 3.58Å; L70-L83 HydrophobicContact CB-CG 4.31Å; L70-L83 HydrophobicContact CD1-CB 4.25Å; L70-L83 HydrophobicContact CD1-CD1 4.33Å; L70-L83 HydrophobicContact CD1-CD2 4.36Å; L70-L83 HydrophobicContact CG-CB 4.49Å; L83-E85 WeakPolarHBondContact CD1-O 3.41Å; L83-F130 HydrophobicContact CD1-CB 3.97Å; L83-F130 HydrophobicContact CD1-CD1 4.03Å; L83-M132 HydrophobicContact CD1-CG 4.13Å |
| 84 | E | 92.1 | Very high | 91.2 | Very high | 96 Ų | 96 | 55.7 Ų | 55.7 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -49.5 | 175.8 | 177.1 | 69.3 | -169.5 | 0 | 0 | 110.8 | H82 R96 V131 | H82-E84 IonicContact CE1-OE2 3.89Å; H82-E84 PolarHBondContact CE1-OE2 2.7Å; E84-R96 PolarHBondContact O-NH2 3.48Å; E84-V131 HydrophobicContact CB-CB 4.41Å; E84-V131 HydrophobicContact CB-CG1 4.19Å; E84-V131 PolarHBondContact N-O 2.89Å |
| 85 | E | 92.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 159.2 | 173.9 | 65 | -179.5 | 126.6 | 0 | 0 | 111.9 | K20 Y21 L83 I87 R96 V131 | K20-E85 WeakPolarHBondContact CE-OE1 3.29Å; K20-E85 IonicContact NZ-OE1 2.75Å; K20-E85 PolarHBondContact NZ-OE1 3.12Å; Y21-E85 WeakPolarHBondContact CE2-OE1 3.38Å; Y21-E85 PolarHBondContact OH-OE1 2.91Å; L83-E85 WeakPolarHBondContact CD1-O 3.41Å; E85-I87 HydrophobicContact CG-CD1 4.31Å; E85-I87 HydrophobicContact CG-CG1 4.19Å; E85-R96 HydrophobicContact CB-CG 4.42Å; E85-V131 HydrophobicContact CG-CB 3.97Å; E85-V131 HydrophobicContact CG-CG2 3.8Å; E85-V131 PolarHBondContact O-N 3.12Å |
| 86 | C | 93.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.7 | 167.9 | -177 | 0 | 0 | 0 | 0 | 109.2 | F67 M97 W129 F130 | F67-C86 HydrophobicContact CD2-CB 3.56Å; F67-C86 HydrophobicContact CE2-CB 3.75Å; C86-M97 HydrophobicContact CB-CB 4.08Å; C86-M97 PolarHBondContact O-N 2.86Å; C86-W129 CarbonylContact C-O 3.51Å; C86-W129 VanDerWaalsContact CA-O 3.23Å; C86-W129 WeakPolarHBondContact CA-O 3.19Å; C86-F130 HydrophobicContact CB-CD1 4.49Å |
| 87 | I | 92.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.7 | -177.9 | -56.3 | 167.4 | 0 | 0 | 0 | 108.7 | Y21 E85 A94 Q95 L128 W129 V131 | Y21-I87 HydrophobicContact CD2-CD1 4.24Å; Y21-I87 HydrophobicContact CE2-CD1 3.85Å; E85-I87 HydrophobicContact CG-CD1 4.31Å; E85-I87 HydrophobicContact CG-CG1 4.19Å; I87-A94 HydrophobicContact CG2-CB 3.85Å; I87-Q95 CarbonylContact C-O 3.42Å; I87-Q95 WeakPolarHBondContact CA-O 3.24Å; I87-L128 WeakPolarHBondContact O-CA 3.34Å; I87-W129 HydrophobicContact CB-CB 4.14Å; I87-W129 PolarHBondContact N-O 2.91Å; I87-W129 PolarHBondContact O-N 3.25Å; I87-V131 HydrophobicContact CD1-CG2 4.25Å |
| 88 | L | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119.1 | 169.3 | 178.2 | 50.7 | 0 | 0 | 0 | 109.2 | A94 Q95 M97 L105 L109 Y126 L128 | L88-A94 WeakPolarHBondContact O-CA 3.42Å; L88-Q95 HydrophobicContact CB-CG 4.08Å; L88-Q95 PolarHBondContact N-O 2.87Å; L88-Q95 PolarHBondContact O-N 3.05Å; L88-M97 HydrophobicContact CB-CG 3.76Å; L88-M97 HydrophobicContact CB-SD 3.85Å; L88-M97 HydrophobicContact CD2-SD 3.97Å; L88-L105 HydrophobicContact CD2-CB 3.56Å; L88-L105 HydrophobicContact CG-CB 4.36Å; L88-L109 HydrophobicContact CD1-CD1 3.68Å; L88-L109 HydrophobicContact CD2-CD1 3.81Å; L88-L109 HydrophobicContact CD2-CG 4.47Å; L88-L109 HydrophobicContact CG-CD1 4.4Å; L88-Y126 HydrophobicContact CD1-CD1 4.38Å; L88-L128 HydrophobicContact CB-CD2 3.94Å; L88-L128 HydrophobicContact CD1-CD2 3.9Å; L88-L128 HydrophobicContact CD1-CG 4.27Å; L88-L128 HydrophobicContact CG-CD2 4.45Å |
| 89 | Q | 90.6 | Very high | 89.2 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.6 | 177.5 | -177.6 | -172.7 | 6.5 | 0 | 0 | 110.4 | D91 L93 Y126 Y127 | Q89-D91 WeakPolarHBondContact CG-O 3.45Å; Q89-D91 PolarHBondContact NE2-O 3.04Å; Q89-L93 CarbonylContact C-O 3.44Å; Q89-L93 VanDerWaalsContact CA-O 3.26Å; Q89-L93 WeakPolarHBondContact CA-O 3.26Å; Q89-Y126 CarbonylContact O-C 3.59Å; Q89-Y126 WeakPolarHBondContact O-CA 3.42Å; Q89-Y127 PolarHBondContact N-O 2.85Å; Q89-Y127 PolarHBondContact O-N 3.39Å |
| 90 | R | 90.1 | Very high | 87.7 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 111.6 | 164.7 | -176.4 | 179.7 | 77.9 | -177.1 | 3.4 | 108.6 | Q92 L93 L105 C124 A125 Y126 | R90-Q92 PolarHBondContact O-N 3.33Å; R90-Q92 VanDerWaalsContact O-N 3.13Å; R90-L93 PolarHBondContact N-O 3.39Å; R90-L93 WeakPolarHBondContact O-CB 3.23Å; R90-L93 PolarHBondContact O-N 2.83Å; R90-L105 HydrophobicContact CB-CD1 4.46Å; R90-L105 HydrophobicContact CB-CD2 4.38Å; R90-C124 HydrophobicContact CG-CB 4.05Å; R90-A125 WeakPolarHBondContact CA-O 3.12Å; R90-Y126 HydrophobicContact CB-CE1 4.35Å; R90-Y126 HydrophobicContact CB-CE2 4.49Å; R90-Y126 WeakPolarHBondContact CD-OH 3.35Å; R90-Y126 HydrophobicContact CG-CD2 4.11Å; R90-Y126 HydrophobicContact CG-CE1 4.29Å; R90-Y126 HydrophobicContact CG-CE2 3.65Å; R90-Y126 PolarHBondContact NH1-OH 2.93Å |
| 91 | D | 86.4 | Confident | 86.4 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | -113.6 | -174.3 | -53.4 | -45 | 0 | 0 | 0 | 111.8 | Q89 C124 A125 | Q89-D91 WeakPolarHBondContact CG-O 3.45Å; Q89-D91 PolarHBondContact NE2-O 3.04Å; D91-C124 PolarHBondContact OD2-SG 2.88Å; D91-A125 PolarHBondContact N-O 2.73Å; D91-A125 PolarHBondContact OD1-N 3.27Å |
| 92 | Q | 81.1 | Confident | 85.2 | Confident | 172 Ų | 172 | 58.3 Ų | 58.3 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -3.2 | 177.8 | -61.4 | -172.4 | 15.4 | 0 | 0 | 113.8 | R90 | R90-Q92 PolarHBondContact O-N 3.33Å; R90-Q92 VanDerWaalsContact O-N 3.13Å |
| 93 | L | 83.3 | Confident | 84.7 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 29% | 0.293 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 132.9 | -177.1 | -59.4 | 168.7 | 0 | 0 | 0 | 109 | M14 Q89 R90 | M14-L93 HydrophobicContact CB-CD2 4.37Å; M14-L93 HydrophobicContact CE-CB 3.73Å; M14-L93 HydrophobicContact CE-CD1 3.26Å; M14-L93 HydrophobicContact CE-CG 4.07Å; M14-L93 HydrophobicContact SD-CD1 3.88Å; Q89-L93 CarbonylContact C-O 3.44Å; Q89-L93 VanDerWaalsContact CA-O 3.26Å; Q89-L93 WeakPolarHBondContact CA-O 3.26Å; R90-L93 PolarHBondContact N-O 3.39Å; R90-L93 WeakPolarHBondContact O-CB 3.23Å; R90-L93 PolarHBondContact O-N 2.83Å |
| 94 | A | 85.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 60 Ų | 60 | 25% | 0.248 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I87 L88 | I87-A94 HydrophobicContact CG2-CB 3.85Å; L88-A94 WeakPolarHBondContact O-CA 3.42Å |
| 95 | Q | 87.2 | Confident | 83.9 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.7 | 174.4 | 64.7 | 174.9 | 11.3 | 0 | 0 | 110.7 | I87 L88 S103 L105 | I87-Q95 CarbonylContact C-O 3.42Å; I87-Q95 WeakPolarHBondContact CA-O 3.24Å; L88-Q95 HydrophobicContact CB-CG 4.08Å; L88-Q95 PolarHBondContact N-O 2.87Å; L88-Q95 PolarHBondContact O-N 3.05Å; Q95-S103 PolarHBondContact NE2-OG 2.88Å; Q95-S103 PolarHBondContact OE1-OG 3.39Å; Q95-L105 HydrophobicContact CG-CD1 4.4Å |
| 96 | R | 89.4 | Confident | 83.7 | Confident | 141 Ų | 141 | 56 Ų | 56 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 134.2 | 172.2 | -170.2 | 178 | -174.7 | -173.4 | 6.9 | 109.7 | E84 E85 | E84-R96 PolarHBondContact O-NH2 3.48Å; E85-R96 HydrophobicContact CB-CG 4.42Å |
| 97 | M | 87.1 | Confident | 83.5 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 4% | 0.044 | 33% | 0.326 | C | S | . | . | trans | -81.9 | 130.1 | 172.3 | -68.4 | -104.2 | -69.3 | 0 | 0 | 109.6 | L64 F67 C86 L88 Y106 L128 | L64-M97 HydrophobicContact CD2-CE 4.46Å; F67-M97 HydrophobicContact CB-CE 4.42Å; F67-M97 HydrophobicContact CD1-CE 3.57Å; F67-M97 HydrophobicContact CD2-CB 4.33Å; F67-M97 HydrophobicContact CD2-CE 4.01Å; F67-M97 HydrophobicContact CE1-CE 3.73Å; F67-M97 HydrophobicContact CE2-CB 3.61Å; F67-M97 HydrophobicContact CE2-CE 4.16Å; F67-M97 HydrophobicContact CG-CE 3.72Å; F67-M97 HydrophobicContact CZ-CB 3.71Å; F67-M97 HydrophobicContact CZ-CE 4.02Å; C86-M97 HydrophobicContact CB-CB 4.08Å; C86-M97 PolarHBondContact O-N 2.86Å; L88-M97 HydrophobicContact CB-CG 3.76Å; L88-M97 HydrophobicContact CB-SD 3.85Å; L88-M97 HydrophobicContact CD2-SD 3.97Å; M97-Y106 HydrophobicContact CE-CD2 3.75Å; M97-Y106 HydrophobicContact CE-CE2 3.89Å; M97-Y106 HydrophobicContact SD-CD2 3.6Å; M97-Y106 VanDerWaalsContact SD-CD2 3.6Å; M97-Y106 HydrophobicContact SD-CE2 4.32Å; M97-Y106 HydrophobicContact SD-CG 4.46Å; M97-L128 HydrophobicContact CE-CD1 4.45Å; M97-L128 HydrophobicContact CE-CD2 3.67Å; M97-L128 HydrophobicContact CG-CD2 4.04Å; M97-L128 HydrophobicContact SD-CD2 3.89Å | ||
| 98 | N | 79.6 | Confident | 83.4 | Confident | 86 Ų | 86 | 61.3 Ų | 61.3 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | trans | -121.6 | 139.9 | 170.1 | -65.3 | -31.9 | 0 | 0 | 0 | 108.2 | G100 S101 | N98-G100 PolarHBondContact O-N 2.91Å; N98-S101 WeakPolarHBondContact O-CB 3.34Å; N98-S101 PolarHBondContact O-N 2.99Å | ||
| 99 | H | 70.1 | Confident | 83.3 | Confident | 136 Ų | 136 | 61.3 Ų | 61.3 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 131.1 | 175.4 | -172.1 | -78 | 0 | 0 | 0 | 109.8 | S101 | H99-S101 VanDerWaalsContact C-N 3.29Å; H99-S101 PolarHBondContact O-N 3.39Å |
| 100 | G | 66 | Low | 83.3 | Confident | 57 Ų | 57 | 61 Ų | 61 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 11.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | N98 S102 | N98-G100 PolarHBondContact O-N 2.91Å; G100-S102 PolarHBondContact O-N 2.73Å |
| 101 | S | 69.4 | Low | 83.3 | Confident | 31 Ų | 31 | 61.6 Ų | 61.6 | 22% | 0.217 | 34% | 0.337 | C | S | . | . | trans | -58.5 | 131.2 | 173.2 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | N98 H99 S103 Y106 | N98-S101 WeakPolarHBondContact O-CB 3.34Å; N98-S101 PolarHBondContact O-N 2.99Å; H99-S101 VanDerWaalsContact C-N 3.29Å; H99-S101 PolarHBondContact O-N 3.39Å; S101-S103 PolarHBondContact O-N 3.01Å; S101-S103 WeakPolarHBondContact OG-CB 3.27Å; S101-S103 PolarHBondContact OG-N 3.04Å; S101-Y106 VanDerWaalsContact O-CD1 3.26Å; S101-Y106 WeakPolarHBondContact O-CD1 3.31Å | ||
| 102 | S | 72.3 | Confident | 83.6 | Confident | 107 Ų | 107 | 58.1 Ų | 58.1 | 75% | 0.748 | 32% | 0.319 | S | S | * | . | trans | -86.1 | 17.2 | 171.8 | -48 | 0 | 0 | 0 | 0 | 112.8 | G100 | G100-S102 PolarHBondContact O-N 2.73Š| ||
| 103 | S | 83.7 | Confident | 84 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | trans | -59.1 | 131.6 | 177.1 | 161.1 | 0 | 0 | 0 | 0 | 110.7 | Q95 S101 L105 Y106 L107 | Q95-S103 PolarHBondContact NE2-OG 2.88Å; Q95-S103 PolarHBondContact OE1-OG 3.39Å; S101-S103 PolarHBondContact O-N 3.01Å; S101-S103 WeakPolarHBondContact OG-CB 3.27Å; S101-S103 PolarHBondContact OG-N 3.04Å; S103-L105 VanDerWaalsContact C-N 3.29Å; S103-L105 PolarHBondContact O-N 2.77Å; S103-L105 PolarHBondContact OG-N 3.38Å; S103-Y106 PolarHBondContact O-N 3.1Å; S103-L107 PolarHBondContact O-N 3.03Å; S103-L107 VanDerWaalsContact O-N 3.13Å | ||
| 104 | P | 84.3 | Confident | 84.2 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -51.1 | -44.8 | 175.2 | -27.5 | 34.6 | 0 | 0 | 0 | 113.5 | Y106 L107 E108 | P104-Y106 VanDerWaalsContact C-N 3.3Å; P104-Y106 PolarHBondContact O-N 3.27Å; P104-L107 PolarHBondContact O-N 2.62Å; P104-E108 WeakPolarHBondContact O-CG 3.45Å; P104-E108 PolarHBondContact O-N 2.85Å |
| 105 | L | 85.1 | Confident | 84.5 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 179.2 | -62.8 | 179.1 | 0 | 0 | 0 | 113.9 | M14 L88 R90 Q95 S103 L109 Y126 | M14-L105 HydrophobicContact CE-CD1 3.87Å; M14-L105 HydrophobicContact CE-CG 4.48Å; L88-L105 HydrophobicContact CD2-CB 3.56Å; L88-L105 HydrophobicContact CG-CB 4.36Å; R90-L105 HydrophobicContact CB-CD1 4.46Å; R90-L105 HydrophobicContact CB-CD2 4.38Å; Q95-L105 HydrophobicContact CG-CD1 4.4Å; S103-L105 VanDerWaalsContact C-N 3.29Å; S103-L105 PolarHBondContact O-N 2.77Å; S103-L105 PolarHBondContact OG-N 3.38Å; L105-L109 PolarHBondContact O-N 3.45Å; L105-Y126 HydrophobicContact CD2-CE1 3.94Å |
| 106 | Y | 88.1 | Confident | 84.6 | Confident | 21 Ų | 21 | 61 Ų | 61 | 8% | 0.082 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.5 | -42 | 178.2 | 172.5 | -106 | 0 | 0 | 0 | 110.1 | L64 F67 W68 M97 S101 S103 P104 E108 L109 V110 | L64-Y106 HydrophobicContact CD2-CE2 3.97Å; F67-Y106 HydrophobicContact CD1-CE2 4.44Å; F67-Y106 HydrophobicContact CE1-CE2 4.16Å; W68-Y106 PolarHBondContact NE1-OH 2.75Å; M97-Y106 HydrophobicContact CE-CD2 3.75Å; M97-Y106 HydrophobicContact CE-CE2 3.89Å; M97-Y106 HydrophobicContact SD-CD2 3.6Å; M97-Y106 VanDerWaalsContact SD-CD2 3.6Å; M97-Y106 HydrophobicContact SD-CE2 4.32Å; M97-Y106 HydrophobicContact SD-CG 4.46Å; S101-Y106 VanDerWaalsContact O-CD1 3.26Å; S101-Y106 WeakPolarHBondContact O-CD1 3.31Å; S103-Y106 PolarHBondContact O-N 3.1Å; P104-Y106 VanDerWaalsContact C-N 3.3Å; P104-Y106 PolarHBondContact O-N 3.27Å; Y106-E108 VanDerWaalsContact C-N 3.31Å; Y106-E108 PolarHBondContact O-N 3.49Å; Y106-L109 PolarHBondContact O-N 3.35Å; Y106-V110 HydrophobicContact CD1-CG2 4.26Å; Y106-V110 HydrophobicContact CD2-CG2 4.44Å; Y106-V110 HydrophobicContact CE1-CG2 3.78Å; Y106-V110 HydrophobicContact CE2-CG2 4Å; Y106-V110 WeakPolarHBondContact O-CG2 3.3Å; Y106-V110 PolarHBondContact O-N 2.86Å |
| 107 | L | 89.1 | Confident | 84.7 | Confident | 91 Ų | 91 | 59.7 Ų | 59.7 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 176.3 | -64.6 | 176.5 | 0 | 0 | 0 | 111.9 | S103 P104 L109 V110 E111 | S103-L107 PolarHBondContact O-N 3.03Å; S103-L107 VanDerWaalsContact O-N 3.13Å; P104-L107 PolarHBondContact O-N 2.62Å; L107-L109 VanDerWaalsContact C-N 3.35Å; L107-L109 PolarHBondContact O-N 2.9Å; L107-V110 PolarHBondContact O-N 3.3Å; L107-E111 VanDerWaalsContact O-CB 3.31Å; L107-E111 WeakPolarHBondContact O-CB 3.4Å; L107-E111 PolarHBondContact O-N 2.86Å |
| 108 | E | 89.9 | Confident | 85 | Confident | 46 Ų | 46 | 62 Ų | 62 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 173.2 | -73.9 | 169.1 | -176.5 | 0 | 0 | 111.9 | P104 Y106 E111 T112 T119 F120 Y126 | P104-E108 WeakPolarHBondContact O-CG 3.45Å; P104-E108 PolarHBondContact O-N 2.85Å; Y106-E108 VanDerWaalsContact C-N 3.31Å; Y106-E108 PolarHBondContact O-N 3.49Å; E108-E111 PolarHBondContact O-N 2.96Å; E108-T112 WeakPolarHBondContact O-CB 3.49Å; E108-T112 PolarHBondContact O-N 3.21Å; E108-T112 PolarHBondContact O-OG1 2.85Å; E108-T119 PolarHBondContact O-OG1 3.36Å; E108-F120 HydrophobicContact CB-CB 4.43Å; E108-F120 HydrophobicContact CB-CD1 4.29Å; E108-Y126 PolarHBondContact OE2-OH 3.04Å |
| 109 | L | 90.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 176.3 | -67.7 | -177.6 | 0 | 0 | 0 | 112 | C54 V60 L64 L88 L105 Y106 L107 E111 T112 S113 F120 Y126 L128 | C54-L109 HydrophobicContact CB-CD2 4.13Å; V60-L109 HydrophobicContact CG1-CB 4.01Å; V60-L109 HydrophobicContact CG1-CD2 4.03Å; V60-L109 WeakPolarHBondContact CG1-O 3.32Å; V60-L109 HydrophobicContact CG2-CD2 4.05Å; L64-L109 HydrophobicContact CD1-CB 4.34Å; L64-L109 HydrophobicContact CD2-CB 4.38Å; L88-L109 HydrophobicContact CD1-CD1 3.68Å; L88-L109 HydrophobicContact CD2-CD1 3.81Å; L88-L109 HydrophobicContact CD2-CG 4.47Å; L88-L109 HydrophobicContact CG-CD1 4.4Å; L105-L109 PolarHBondContact O-N 3.45Å; Y106-L109 PolarHBondContact O-N 3.35Å; L107-L109 VanDerWaalsContact C-N 3.35Å; L107-L109 PolarHBondContact O-N 2.9Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-E111 PolarHBondContact O-N 2.85Å; L109-T112 WeakPolarHBondContact O-CB 3.43Å; L109-T112 PolarHBondContact O-N 2.85Å; L109-S113 PolarHBondContact O-N 2.78Å; L109-F120 HydrophobicContact CD2-CE1 3.84Å; L109-F120 HydrophobicContact CD2-CZ 4.37Å; L109-Y126 HydrophobicContact CD2-CD1 4.32Å; L109-L128 HydrophobicContact CD1-CD1 3.96Å; L109-L128 HydrophobicContact CD1-CD2 4.3Å; L109-L128 HydrophobicContact CD1-CG 4.2Å |
| 110 | V | 90.4 | Very high | 86.2 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | L64 W68 Y106 L107 T112 S113 L114 | L64-V110 HydrophobicContact CD1-CG2 4.24Å; W68-V110 HydrophobicContact CZ2-CG2 4.34Å; Y106-V110 HydrophobicContact CD1-CG2 4.26Å; Y106-V110 HydrophobicContact CD2-CG2 4.44Å; Y106-V110 HydrophobicContact CE1-CG2 3.78Å; Y106-V110 HydrophobicContact CE2-CG2 4Å; Y106-V110 WeakPolarHBondContact O-CG2 3.3Å; Y106-V110 PolarHBondContact O-N 2.86Å; L107-V110 PolarHBondContact O-N 3.3Å; V110-T112 PolarHBondContact O-N 3.36Å; V110-S113 PolarHBondContact O-N 3.39Å; V110-L114 HydrophobicContact CG1-CD1 4Å; V110-L114 HydrophobicContact CG1-CG 4.43Å; V110-L114 WeakPolarHBondContact O-CG 3.42Å; V110-L114 PolarHBondContact O-N 3.39Å |
| 111 | E | 91.1 | Very high | 87.1 | Confident | 78 Ų | 78 | 55.5 Ų | 55.5 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 177.3 | -164.6 | -173.8 | 173.4 | 0 | 0 | 111.6 | L107 E108 L109 S113 L114 K115 T119 | L107-E111 VanDerWaalsContact O-CB 3.31Å; L107-E111 WeakPolarHBondContact O-CB 3.4Å; L107-E111 PolarHBondContact O-N 2.86Å; E108-E111 PolarHBondContact O-N 2.96Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-E111 PolarHBondContact O-N 2.85Å; E111-S113 VanDerWaalsContact C-N 3.33Å; E111-S113 PolarHBondContact O-N 3Å; E111-L114 PolarHBondContact O-N 3.48Å; E111-K115 HydrophobicContact CG-CD 4Å; E111-K115 HydrophobicContact CG-CG 4.35Å; E111-K115 WeakPolarHBondContact O-CB 3.15Å; E111-K115 PolarHBondContact O-N 3.31Å; E111-K115 WeakPolarHBondContact OE1-CE 3.41Å; E111-K115 IonicContact OE1-NZ 2.63Å; E111-K115 PolarHBondContact OE1-NZ 3.38Å; E111-T119 HydrophobicContact CB-CG2 4.29Å; E111-T119 HydrophobicContact CG-CG2 3.95Å |
| 112 | T | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 174.2 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | P57 V60 E108 L109 V110 L114 G116 E117 I118 T119 F120 | P57-T112 HydrophobicContact CB-CG2 4.37Å; V60-T112 HydrophobicContact CB-CG2 4Å; V60-T112 HydrophobicContact CG1-CG2 4.05Å; V60-T112 HydrophobicContact CG2-CG2 3.87Å; E108-T112 WeakPolarHBondContact O-CB 3.49Å; E108-T112 PolarHBondContact O-N 3.21Å; E108-T112 PolarHBondContact O-OG1 2.85Å; L109-T112 WeakPolarHBondContact O-CB 3.43Å; L109-T112 PolarHBondContact O-N 2.85Å; V110-T112 PolarHBondContact O-N 3.36Å; T112-L114 PolarHBondContact O-N 2.9Å; T112-G116 PolarHBondContact O-N 2.8Å; T112-E117 VanDerWaalsContact CA-O 3.27Å; T112-E117 WeakPolarHBondContact CA-O 3.29Å; T112-E117 WeakPolarHBondContact CG2-O 3.33Å; T112-I118 HydrophobicContact CG2-CD1 3.71Å; T112-T119 PolarHBondContact OG1-N 2.8Å; T112-T119 PolarHBondContact OG1-OG1 3.47Å; T112-F120 HydrophobicContact CG2-CE1 4.26Å; T112-F120 WeakPolarHBondContact OG1-CE1 3.5Å |
| 113 | S | 90.1 | Very high | 88.2 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66 | -36 | 177.6 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | L109 V110 E111 | L109-S113 PolarHBondContact O-N 2.78Å; V110-S113 PolarHBondContact O-N 3.39Å; E111-S113 VanDerWaalsContact C-N 3.33Å; E111-S113 PolarHBondContact O-N 3Å |
| 114 | L | 88.7 | Confident | 88.3 | Confident | 145 Ų | 145 | 60.6 Ų | 60.6 | 76% | 0.759 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -76.4 | -38.8 | -179.1 | -71.2 | 174.2 | 0 | 0 | 0 | 113 | V110 E111 T112 | V110-L114 HydrophobicContact CG1-CD1 4Å; V110-L114 HydrophobicContact CG1-CG 4.43Å; V110-L114 WeakPolarHBondContact O-CG 3.42Å; V110-L114 PolarHBondContact O-N 3.39Å; E111-L114 PolarHBondContact O-N 3.48Å; T112-L114 PolarHBondContact O-N 2.9Å |
| 115 | K | 91.1 | Very high | 88.3 | Confident | 114 Ų | 114 | 57.4 Ų | 57.4 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -82.2 | -22.4 | -179.8 | -69.2 | -176.1 | 170.4 | 176.1 | 0 | 113.1 | E111 E117 T119 | E111-K115 HydrophobicContact CG-CD 4Å; E111-K115 HydrophobicContact CG-CG 4.35Å; E111-K115 WeakPolarHBondContact O-CB 3.15Å; E111-K115 PolarHBondContact O-N 3.31Å; E111-K115 WeakPolarHBondContact OE1-CE 3.41Å; E111-K115 IonicContact OE1-NZ 2.63Å; E111-K115 PolarHBondContact OE1-NZ 3.38Å; K115-E117 VanDerWaalsContact C-N 3.28Å; K115-E117 HydrophobicContact CB-CG 3.87Å; K115-E117 HydrophobicContact CD-CG 4.45Å; K115-T119 HydrophobicContact CD-CG2 3.95Å |
| 116 | G | 90.4 | Very high | 88.6 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 24.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P57 T112 | P57-G116 VanDerWaalsContact CG-C 3.43Å; P57-G116 VanDerWaalsContact CG-O 3.31Å; P57-G116 WeakPolarHBondContact CG-O 3.49Å; T112-G116 PolarHBondContact O-N 2.8Å |
| 117 | E | 91.6 | Very high | 88.8 | Confident | 114 Ų | 114 | 58.8 Ų | 58.8 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -143.6 | 148.8 | 176.4 | 68.2 | -175.7 | 175.6 | 0 | 0 | 109.9 | T112 K115 T119 | T112-E117 VanDerWaalsContact CA-O 3.27Å; T112-E117 WeakPolarHBondContact CA-O 3.29Å; T112-E117 WeakPolarHBondContact CG2-O 3.33Å; K115-E117 VanDerWaalsContact C-N 3.28Å; K115-E117 HydrophobicContact CB-CG 3.87Å; K115-E117 HydrophobicContact CD-CG 4.45Å; E117-T119 PolarHBondContact O-N 3.48Å |
| 118 | I | 91.7 | Very high | 89 | Confident | 56 Ų | 56 | 54.4 Ų | 54.4 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | trans | -67.5 | 121.8 | 178.2 | -62.6 | -57.3 | 0 | 0 | 0 | 109.8 | P57 T112 F120 | P57-I118 HydrophobicContact CG-CD1 4.4Å; T112-I118 HydrophobicContact CG2-CD1 3.71Å; I118-F120 HydrophobicContact CD1-CE1 4.3Å; I118-F120 HydrophobicContact CD1-CE2 4.46Å; I118-F120 HydrophobicContact CD1-CZ 3.85Å; I118-F120 HydrophobicContact CG2-CD1 4.23Å; I118-F120 HydrophobicContact CG2-CD2 3.73Å; I118-F120 HydrophobicContact CG2-CE1 4.13Å; I118-F120 HydrophobicContact CG2-CE2 3.64Å; I118-F120 HydrophobicContact CG2-CG 4.05Å; I118-F120 HydrophobicContact CG2-CZ 3.85Å; I118-F120 WeakPolarHBondContact CG2-O 3.22Å | ||
| 119 | T | 88.5 | Confident | 89.2 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | trans | -102.7 | -0.9 | -178.1 | 61.6 | 0 | 0 | 0 | 0 | 114.6 | E108 E111 T112 K115 E117 | E108-T119 PolarHBondContact O-OG1 3.36Å; E111-T119 HydrophobicContact CB-CG2 4.29Å; E111-T119 HydrophobicContact CG-CG2 3.95Å; T112-T119 PolarHBondContact OG1-N 2.8Å; T112-T119 PolarHBondContact OG1-OG1 3.47Å; K115-T119 HydrophobicContact CD-CG2 3.95Å; E117-T119 PolarHBondContact O-N 3.48Å | ||
| 120 | F | 87.3 | Confident | 89.4 | Confident | 16 Ų | 16 | 53.8 Ų | 53.8 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -110.5 | 169.5 | 177.2 | 48.5 | -96 | 0 | 0 | 0 | 111.7 | C54 V60 E108 L109 T112 I118 P122 Y126 | C54-F120 HydrophobicContact CB-CZ 4.37Å; C54-F120 VanDerWaalsContact O-CZ 3.31Å; C54-F120 WeakPolarHBondContact O-CZ 2.89Å; V60-F120 HydrophobicContact CG2-CE1 4.47Å; V60-F120 HydrophobicContact CG2-CZ 4.43Å; E108-F120 HydrophobicContact CB-CB 4.43Å; E108-F120 HydrophobicContact CB-CD1 4.29Å; L109-F120 HydrophobicContact CD2-CE1 3.84Å; L109-F120 HydrophobicContact CD2-CZ 4.37Å; T112-F120 HydrophobicContact CG2-CE1 4.26Å; T112-F120 WeakPolarHBondContact OG1-CE1 3.5Å; I118-F120 HydrophobicContact CD1-CE1 4.3Å; I118-F120 HydrophobicContact CD1-CE2 4.46Å; I118-F120 HydrophobicContact CD1-CZ 3.85Å; I118-F120 HydrophobicContact CG2-CD1 4.23Å; I118-F120 HydrophobicContact CG2-CD2 3.73Å; I118-F120 HydrophobicContact CG2-CE1 4.13Å; I118-F120 HydrophobicContact CG2-CE2 3.64Å; I118-F120 HydrophobicContact CG2-CG 4.05Å; I118-F120 HydrophobicContact CG2-CZ 3.85Å; I118-F120 WeakPolarHBondContact CG2-O 3.22Å; F120-P122 VanDerWaalsContact O-CD 3.29Å; F120-P122 WeakPolarHBondContact O-CD 3.22Å; F120-P122 VanDerWaalsContact O-N 3.12Å; F120-Y126 HydrophobicContact CB-CE1 4.31Å; F120-Y126 HydrophobicContact CB-CE2 3.83Å; F120-Y126 WeakPolarHBondContact CB-OH 3.38Å; F120-Y126 HydrophobicContact CD1-CE1 4.41Å; F120-Y126 HydrophobicContact CD2-CD1 4.4Å; F120-Y126 AromaticContact CD2-CD2 3.35Å; F120-Y126 HydrophobicContact CD2-CD2 3.35Å; F120-Y126 HydrophobicContact CD2-CE1 4.35Å; F120-Y126 AromaticContact CD2-CE2 3.32Å; F120-Y126 HydrophobicContact CD2-CE2 3.32Å; F120-Y126 AromaticContact CD2-CG 3.93Å; F120-Y126 HydrophobicContact CD2-CG 3.93Å; F120-Y126 AromaticContact CD2-CZ 3.85Å; F120-Y126 HydrophobicContact CE2-CD1 4.46Å; F120-Y126 AromaticContact CE2-CD2 3.55Å; F120-Y126 HydrophobicContact CE2-CD2 3.55Å; F120-Y126 HydrophobicContact CE2-CE2 4.03Å; F120-Y126 AromaticContact CE2-CG 3.8Å; F120-Y126 HydrophobicContact CE2-CG 3.8Å; F120-Y126 HydrophobicContact CG-CD1 4.46Å; F120-Y126 HydrophobicContact CG-CD2 4.07Å; F120-Y126 HydrophobicContact CG-CE1 4.11Å; F120-Y126 AromaticContact CG-CE2 3.7Å; F120-Y126 HydrophobicContact CG-CE2 3.7Å; F120-Y126 HydrophobicContact CG-CG 4.43Å; F120-Y126 AromaticContact CG-CZ 3.71Å; F120-Y126 HydrophobicContact CZ-CD2 4.4Å; F120-Y126 HydrophobicContact CZ-CG 4.22Å |
| 121 | D | 85.8 | Confident | 89.7 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | trans | -58.4 | 115.9 | 179.7 | -174.9 | -12.5 | 0 | 0 | 0 | 110.6 | C123 C124 | D121-C123 PolarHBondContact O-N 2.87Å; D121-C123 VanDerWaalsContact OD1-CB 3.24Å; D121-C123 WeakPolarHBondContact OD1-CB 3.24Å; D121-C123 PolarHBondContact OD1-N 3.4Å; D121-C123 PolarHBondContact OD1-SG 3.07Å; D121-C124 HydrophobicContact CB-CB 4.35Å; D121-C124 WeakPolarHBondContact O-CB 3.49Å; D121-C124 PolarHBondContact O-N 2.91Å; D121-C124 VanDerWaalsContact O-N 3.07Å | ||
| 122 | P | 79.7 | Confident | 89.9 | Confident | 113 Ų | 113 | 49.4 Ų | 49.4 | 73% | 0.734 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.1 | -178.8 | 28.5 | -35.6 | 0 | 0 | 0 | 113.2 | F120 | F120-P122 VanDerWaalsContact O-CD 3.29Å; F120-P122 WeakPolarHBondContact O-CD 3.22Å; F120-P122 VanDerWaalsContact O-N 3.12Å |
| 123 | C | 83.8 | Confident | 90 | Very high | 114 Ų | 114 | 51.9 Ų | 51.9 | 77% | 0.77 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -23.1 | 174.7 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | D121 | D121-C123 PolarHBondContact O-N 2.87Å; D121-C123 VanDerWaalsContact OD1-CB 3.24Å; D121-C123 WeakPolarHBondContact OD1-CB 3.24Å; D121-C123 PolarHBondContact OD1-N 3.4Å; D121-C123 PolarHBondContact OD1-SG 3.07Å |
| 124 | C | 85.4 | Confident | 90.3 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -78.5 | 140 | 176.9 | -76.7 | 0 | 0 | 0 | 0 | 111 | R90 D91 D121 Y126 | R90-C124 HydrophobicContact CG-CB 4.05Å; D91-C124 PolarHBondContact OD2-SG 2.88Å; D121-C124 HydrophobicContact CB-CB 4.35Å; D121-C124 WeakPolarHBondContact O-CB 3.49Å; D121-C124 PolarHBondContact O-N 2.91Å; D121-C124 VanDerWaalsContact O-N 3.07Å; C124-Y126 HydrophobicContact CB-CD2 3.95Å; C124-Y126 HydrophobicContact CB-CE2 3.62Å; C124-Y126 PolarHBondContact O-N 3.46Å |
| 125 | A | 85.3 | Confident | 90.6 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 21% | 0.207 | 26% | 0.263 | C | S | . | . | trans | -89.7 | 105.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R90 D91 Y127 | R90-A125 WeakPolarHBondContact CA-O 3.12Å; D91-A125 PolarHBondContact N-O 2.73Å; D91-A125 PolarHBondContact OD1-N 3.27Å; A125-Y127 HydrophobicContact CB-CD2 4.39Å; A125-Y127 HydrophobicContact CB-CE2 3.65Å | ||
| 126 | Y | 90.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 130.3 | 175.2 | -78.6 | -110.4 | 0 | 0 | 0 | 111.6 | C54 L88 Q89 R90 L105 E108 L109 F120 C124 | C54-Y126 PolarHBondContact N-O 3.25Å; L88-Y126 HydrophobicContact CD1-CD1 4.38Å; Q89-Y126 CarbonylContact O-C 3.59Å; Q89-Y126 WeakPolarHBondContact O-CA 3.42Å; R90-Y126 HydrophobicContact CB-CE1 4.35Å; R90-Y126 HydrophobicContact CB-CE2 4.49Å; R90-Y126 WeakPolarHBondContact CD-OH 3.35Å; R90-Y126 HydrophobicContact CG-CD2 4.11Å; R90-Y126 HydrophobicContact CG-CE1 4.29Å; R90-Y126 HydrophobicContact CG-CE2 3.65Å; R90-Y126 PolarHBondContact NH1-OH 2.93Å; L105-Y126 HydrophobicContact CD2-CE1 3.94Å; E108-Y126 PolarHBondContact OE2-OH 3.04Å; L109-Y126 HydrophobicContact CD2-CD1 4.32Å; F120-Y126 HydrophobicContact CB-CE1 4.31Å; F120-Y126 HydrophobicContact CB-CE2 3.83Å; F120-Y126 WeakPolarHBondContact CB-OH 3.38Å; F120-Y126 HydrophobicContact CD1-CE1 4.41Å; F120-Y126 HydrophobicContact CD2-CD1 4.4Å; F120-Y126 AromaticContact CD2-CD2 3.35Å; F120-Y126 HydrophobicContact CD2-CD2 3.35Å; F120-Y126 HydrophobicContact CD2-CE1 4.35Å; F120-Y126 AromaticContact CD2-CE2 3.32Å; F120-Y126 HydrophobicContact CD2-CE2 3.32Å; F120-Y126 AromaticContact CD2-CG 3.93Å; F120-Y126 HydrophobicContact CD2-CG 3.93Å; F120-Y126 AromaticContact CD2-CZ 3.85Å; F120-Y126 HydrophobicContact CE2-CD1 4.46Å; F120-Y126 AromaticContact CE2-CD2 3.55Å; F120-Y126 HydrophobicContact CE2-CD2 3.55Å; F120-Y126 HydrophobicContact CE2-CE2 4.03Å; F120-Y126 AromaticContact CE2-CG 3.8Å; F120-Y126 HydrophobicContact CE2-CG 3.8Å; F120-Y126 HydrophobicContact CG-CD1 4.46Å; F120-Y126 HydrophobicContact CG-CD2 4.07Å; F120-Y126 HydrophobicContact CG-CE1 4.11Å; F120-Y126 AromaticContact CG-CE2 3.7Å; F120-Y126 HydrophobicContact CG-CE2 3.7Å; F120-Y126 HydrophobicContact CG-CG 4.43Å; F120-Y126 AromaticContact CG-CZ 3.71Å; F120-Y126 HydrophobicContact CZ-CD2 4.4Å; F120-Y126 HydrophobicContact CZ-CG 4.22Å; C124-Y126 HydrophobicContact CB-CD2 3.95Å; C124-Y126 HydrophobicContact CB-CE2 3.62Å; C124-Y126 PolarHBondContact O-N 3.46Å |
| 127 | Y | 91.6 | Very high | 90.8 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 21% | 0.212 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.4 | 175.3 | -61.2 | -88.9 | 0 | 0 | 0 | 112 | K51 I52 R53 Q89 A125 | K51-Y127 HydrophobicContact CD-CD1 4.12Å; K51-Y127 VanDerWaalsContact CE-CG 3.43Å; K51-Y127 HydrophobicContact CG-CD1 3.84Å; K51-Y127 HydrophobicContact CG-CG 4.37Å; I52-Y127 CarbonylContact O-C 3.57Å; I52-Y127 VanDerWaalsContact O-CA 3.23Å; I52-Y127 WeakPolarHBondContact O-CA 3.16Å; R53-Y127 HydrophobicContact CB-CD1 3.83Å; R53-Y127 HydrophobicContact CB-CE1 3.58Å; R53-Y127 HydrophobicContact CG-CD1 4.08Å; R53-Y127 HydrophobicContact CG-CE1 3.58Å; Q89-Y127 PolarHBondContact N-O 2.85Å; Q89-Y127 PolarHBondContact O-N 3.39Å; A125-Y127 HydrophobicContact CB-CD2 4.39Å; A125-Y127 HydrophobicContact CB-CE2 3.65Å |
| 128 | L | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.1 | 162.3 | -77.9 | 171.2 | 0 | 0 | 0 | 109.6 | K51 I52 A63 I87 L88 M97 L109 F130 | K51-L128 WeakPolarHBondContact CA-O 3.42Å; I52-L128 PolarHBondContact N-O 2.78Å; I52-L128 PolarHBondContact O-N 3.31Å; A63-L128 HydrophobicContact CB-CB 4.36Å; A63-L128 HydrophobicContact CB-CD1 3.46Å; A63-L128 VanDerWaalsContact CB-CD1 3.46Å; A63-L128 HydrophobicContact CB-CG 4.49Å; I87-L128 WeakPolarHBondContact O-CA 3.34Å; L88-L128 HydrophobicContact CB-CD2 3.94Å; L88-L128 HydrophobicContact CD1-CD2 3.9Å; L88-L128 HydrophobicContact CD1-CG 4.27Å; L88-L128 HydrophobicContact CG-CD2 4.45Å; M97-L128 HydrophobicContact CE-CD1 4.45Å; M97-L128 HydrophobicContact CE-CD2 3.67Å; M97-L128 HydrophobicContact CG-CD2 4.04Å; M97-L128 HydrophobicContact SD-CD2 3.89Å; L109-L128 HydrophobicContact CD1-CD1 3.96Å; L109-L128 HydrophobicContact CD1-CD2 4.3Å; L109-L128 HydrophobicContact CD1-CG 4.2Å; L128-F130 HydrophobicContact CB-CE2 3.91Å; L128-F130 HydrophobicContact CB-CZ 4.24Å |
| 129 | W | 94.6 | Very high | 91.1 | Very high | 32 Ų | 32 | 38.4 Ų | 38.4 | 12% | 0.121 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.9 | 177.9 | -60.4 | 41.8 | 0 | 0 | 0 | 108.1 | L23 V49 K50 K51 C86 I87 | L23-W129 HydrophobicContact CD1-CH2 4.18Å; L23-W129 HydrophobicContact CD1-CZ3 4.32Å; L23-W129 HydrophobicContact CD2-CZ3 4.14Å; L23-W129 HydrophobicContact CG-CZ3 4.43Å; V49-W129 HydrophobicContact CG1-CB 4.25Å; V49-W129 HydrophobicContact CG1-CD2 4.19Å; V49-W129 HydrophobicContact CG1-CE3 3.58Å; V49-W129 HydrophobicContact CG1-CZ3 4.3Å; K50-W129 CarbonylContact O-C 3.38Å; K50-W129 WeakPolarHBondContact O-CA 3.49Å; K51-W129 HydrophobicContact CD-CZ2 4.1Å; C86-W129 CarbonylContact C-O 3.51Å; C86-W129 VanDerWaalsContact CA-O 3.23Å; C86-W129 WeakPolarHBondContact CA-O 3.19Å; I87-W129 HydrophobicContact CB-CB 4.14Å; I87-W129 PolarHBondContact N-O 2.91Å; I87-W129 PolarHBondContact O-N 3.25Å |
| 130 | F | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 110.6 | 173.6 | -58 | -94.4 | 0 | 0 | 0 | 107.9 | V49 K50 I52 A63 E66 F67 L70 L83 C86 L128 M132 | V49-F130 WeakPolarHBondContact CA-O 3.49Å; K50-F130 HydrophobicContact CB-CB 4.22Å; K50-F130 HydrophobicContact CB-CD2 4.46Å; K50-F130 PolarHBondContact N-O 2.73Å; K50-F130 PolarHBondContact O-N 3.32Å; I52-F130 HydrophobicContact CD1-CD2 4.37Å; I52-F130 HydrophobicContact CD1-CE2 3.75Å; I52-F130 HydrophobicContact CG1-CE2 4.21Å; A63-F130 HydrophobicContact CB-CZ 4.47Å; A63-F130 WeakPolarHBondContact O-CZ 3.44Å; E66-F130 HydrophobicContact CB-CE1 4.11Å; E66-F130 HydrophobicContact CB-CZ 4.09Å; E66-F130 HydrophobicContact CG-CD1 4.12Å; E66-F130 HydrophobicContact CG-CE1 3.85Å; E66-F130 HydrophobicContact CG-CZ 4.13Å; F67-F130 HydrophobicContact CB-CE1 3.89Å; F67-F130 HydrophobicContact CB-CZ 4.32Å; L70-F130 HydrophobicContact CD1-CD1 4.44Å; L83-F130 HydrophobicContact CD1-CB 3.97Å; L83-F130 HydrophobicContact CD1-CD1 4.03Å; C86-F130 HydrophobicContact CB-CD1 4.49Å; L128-F130 HydrophobicContact CB-CE2 3.91Å; L128-F130 HydrophobicContact CB-CZ 4.24Å; F130-M132 HydrophobicContact CB-CE 4.27Å; F130-M132 HydrophobicContact CB-CG 4.34Å; F130-M132 HydrophobicContact CB-SD 4.27Å |
| 131 | V | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118.7 | 176.5 | -174 | 0 | 0 | 0 | 0 | 108 | Y21 V47 A48 V49 E84 E85 I87 | Y21-V131 HydrophobicContact CD1-CG1 4.31Å; Y21-V131 HydrophobicContact CD2-CG2 4.26Å; Y21-V131 HydrophobicContact CE1-CG1 3.52Å; Y21-V131 HydrophobicContact CE1-CG2 4.31Å; Y21-V131 HydrophobicContact CE2-CG1 4.41Å; Y21-V131 HydrophobicContact CE2-CG2 3.73Å; V47-V131 HydrophobicContact CB-CG1 4.07Å; V47-V131 HydrophobicContact CG1-CG1 4.3Å; V47-V131 HydrophobicContact CG2-CG1 4.03Å; A48-V131 WeakPolarHBondContact O-CA 3.07Å; V49-V131 HydrophobicContact CG2-CG2 4.45Å; E84-V131 HydrophobicContact CB-CB 4.41Å; E84-V131 HydrophobicContact CB-CG1 4.19Å; E84-V131 PolarHBondContact N-O 2.89Å; E85-V131 HydrophobicContact CG-CB 3.97Å; E85-V131 HydrophobicContact CG-CG2 3.8Å; E85-V131 PolarHBondContact O-N 3.12Å; I87-V131 HydrophobicContact CD1-CG2 4.25Å |
| 132 | M | 95.6 | Very high | 92.4 | Very high | 16 Ų | 16 | 34.3 Ų | 34.3 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 167.7 | -170.1 | -61.7 | 176.7 | -66.7 | 0 | 0 | 111.7 | V47 A48 K50 L70 I81 H82 L83 F130 F134 | V47-M132 WeakPolarHBondContact CB-O 3.48Å; A48-M132 PolarHBondContact N-O 2.83Å; A48-M132 PolarHBondContact O-N 2.79Å; K50-M132 HydrophobicContact CB-CE 3.67Å; L70-M132 HydrophobicContact CD1-SD 4.48Å; I81-M132 HydrophobicContact CG1-CB 4.04Å; I81-M132 HydrophobicContact CG1-CG 4.46Å; I81-M132 HydrophobicContact CG1-SD 4.17Å; I81-M132 HydrophobicContact CG2-SD 4.38Å; H82-M132 WeakPolarHBondContact O-CA 3.44Å; H82-M132 WeakPolarHBondContact O-CB 3.29Å; L83-M132 HydrophobicContact CD1-CG 4.13Å; F130-M132 HydrophobicContact CB-CE 4.27Å; F130-M132 HydrophobicContact CB-CG 4.34Å; F130-M132 HydrophobicContact CB-SD 4.27Å; M132-F134 PolarHBondContact O-N 2.97Å |
| 133 | D | 94.6 | Very high | 93.1 | Very high | 53 Ų | 53 | 29.9 Ų | 29.9 | 28% | 0.283 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 138.2 | 167.8 | -72 | -10.5 | 0 | 0 | 0 | 110.9 | I81 H82 K200 | I81-D133 HydrophobicContact CD1-CB 3.92Å; H82-D133 WeakPolarHBondContact CB-OD2 3.46Å; H82-D133 IonicContact ND1-OD1 3.52Å; H82-D133 PolarHBondContact O-N 2.99Å; D133-K200 IonicContact OD2-NZ 3.49Å; D133-K200 PolarHBondContact OD2-NZ 3.39Å |
| 134 | F | 95.4 | Very high | 93.7 | Very high | 37 Ų | 37 | 24.6 Ų | 24.6 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | trans | -89.4 | 119.7 | 171.6 | -175.1 | -95.9 | 0 | 0 | 0 | 110.9 | V27 E37 R46 A48 M132 D136 | V27-F134 HydrophobicContact CG1-CE2 4.25Å; E37-F134 HydrophobicContact CB-CD2 4.33Å; E37-F134 HydrophobicContact CB-CE2 3.74Å; E37-F134 HydrophobicContact CB-CZ 4.41Å; E37-F134 HydrophobicContact CG-CD2 4.14Å; E37-F134 HydrophobicContact CG-CE2 3.75Å; E37-F134 HydrophobicContact CG-CZ 4.15Å; R46-F134 HydrophobicContact CB-CB 4.32Å; R46-F134 HydrophobicContact CB-CG 4.48Å; A48-F134 HydrophobicContact CB-CD2 4.25Å; M132-F134 PolarHBondContact O-N 2.97Å; F134-D136 HydrophobicContact CD1-CB 4.21Å; F134-D136 HydrophobicContact CE1-CB 3.78Å | ||
| 135 | C | 95.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 25.6 Ų | 25.6 | 12% | 0.122 | 15% | 0.15 | C | C | . | . | trans | -97.2 | 112.8 | 174.5 | -69.1 | 0 | 0 | 0 | 0 | 110.2 | L184 I185 | C135-L184 HydrophobicContact CB-CB 3.65Å; C135-L184 HydrophobicContact CB-CD1 4.23Å; C135-I185 CarbonylContact C-O 3.52Å; C135-I185 WeakPolarHBondContact CB-O 3.43Å | ||
| 136 | D | 93.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 28.5 Ų | 28.5 | 40% | 0.396 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -5.8 | -171.7 | 61.8 | -22 | 0 | 0 | 0 | 115.1 | F134 I185 S186 Q187 | F134-D136 HydrophobicContact CD1-CB 4.21Å; F134-D136 HydrophobicContact CE1-CB 3.78Å; D136-I185 PolarHBondContact N-O 3.19Å; D136-S186 WeakPolarHBondContact OD1-CA 3.47Å; D136-Q187 PolarHBondContact OD1-N 3.27Å |
| 137 | G | 93.4 | Very high | 94.7 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 3.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I185 | G137-I185 WeakPolarHBondContact CA-O 3.3Å; G137-I185 PolarHBondContact N-O 2.8Å |
| 138 | G | 94.3 | Very high | 94.6 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 38% | 0.381 | 22% | 0.215 | S | C | . | . | trans | 73.7 | -160.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | I185 | G138-I185 PolarHBondContact O-N 3.47Š| ||
| 139 | D | 95.6 | Very high | 94.3 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -85.6 | 162.5 | 174.2 | 63.6 | 73.6 | 0 | 0 | 0 | 112.7 | N141 A142 Y143 I183 L184 | D139-N141 VanDerWaalsContact C-N 3.29Å; D139-N141 PolarHBondContact O-N 2.98Å; D139-N141 WeakPolarHBondContact OD1-CA 3.4Å; D139-N141 VanDerWaalsContact OD1-CB 3.24Å; D139-N141 WeakPolarHBondContact OD1-CB 3.34Å; D139-N141 PolarHBondContact OD1-N 3.26Å; D139-A142 WeakPolarHBondContact OD1-CB 3.44Å; D139-A142 PolarHBondContact OD1-N 2.93Å; D139-Y143 WeakPolarHBondContact O-CB 3.41Å; D139-Y143 PolarHBondContact O-N 3.08Å; D139-I183 CarbonylContact C-O 3.6Å; D139-I183 WeakPolarHBondContact CA-O 3.28Å; D139-L184 HydrophobicContact CB-CD2 4.4Å |
| 140 | M | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -32.7 | -177.4 | 177.7 | -179.3 | 171.4 | 0 | 0 | 111.9 | L144 F157 L161 P180 I183 I185 I259 M263 | M140-L144 HydrophobicContact CE-CD1 3.57Å; M140-L144 HydrophobicContact CG-CD1 3.71Å; M140-L144 HydrophobicContact CG-CG 4.2Å; M140-L144 VanDerWaalsContact O-CB 3.31Å; M140-L144 WeakPolarHBondContact O-CB 3.32Å; M140-L144 VanDerWaalsContact O-CG 3.3Å; M140-L144 WeakPolarHBondContact O-CG 3.31Å; M140-L144 PolarHBondContact O-N 3.37Å; M140-F157 HydrophobicContact CE-CD2 4.2Å; M140-F157 HydrophobicContact CG-CD2 4.48Å; M140-F157 HydrophobicContact CG-CE2 4.49Å; M140-L161 HydrophobicContact CE-CD1 4.21Å; M140-L161 HydrophobicContact SD-CD1 4.21Å; M140-P180 HydrophobicContact CB-CB 4.44Å; M140-P180 WeakPolarHBondContact CB-O 3.17Å; M140-P180 PolarHBondContact N-O 3.49Å; M140-I183 HydrophobicContact CB-CB 3.83Å; M140-I183 HydrophobicContact CB-CG2 3.88Å; M140-I183 WeakPolarHBondContact CB-O 3.33Å; M140-I183 HydrophobicContact CG-CG2 4.43Å; M140-I183 PolarHBondContact N-O 3.3Å; M140-I183 HydrophobicContact SD-CB 4.08Å; M140-I183 HydrophobicContact SD-CD1 3.69Å; M140-I183 HydrophobicContact SD-CG1 4.5Å; M140-I183 HydrophobicContact SD-CG2 3.82Å; M140-I185 HydrophobicContact CB-CD1 4.26Å; M140-I259 HydrophobicContact CE-CG2 3.74Å; M140-I259 HydrophobicContact SD-CG2 4.36Å; M140-M263 HydrophobicContact CE-CE 4.29Å; M140-M263 HydrophobicContact CE-CG 4.42Å; M140-M263 HydrophobicContact CE-SD 3.41Å; M140-M263 WeakPolarHBondContact CE-SD 3.5Å |
| 141 | N | 95.8 | Very high | 93.7 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -59.9 | 178.5 | -169.8 | 60.9 | 0 | 0 | 0 | 110.5 | D139 Y143 L144 L145 P180 E277 L278 L279 | D139-N141 VanDerWaalsContact C-N 3.29Å; D139-N141 PolarHBondContact O-N 2.98Å; D139-N141 WeakPolarHBondContact OD1-CA 3.4Å; D139-N141 VanDerWaalsContact OD1-CB 3.24Å; D139-N141 WeakPolarHBondContact OD1-CB 3.34Å; D139-N141 PolarHBondContact OD1-N 3.26Å; N141-Y143 VanDerWaalsContact C-N 3.29Å; N141-Y143 PolarHBondContact O-N 3.23Å; N141-L144 PolarHBondContact O-N 3.02Å; N141-L145 WeakPolarHBondContact O-CB 3.43Å; N141-L145 VanDerWaalsContact O-CG 3.29Å; N141-L145 WeakPolarHBondContact O-CG 3.44Å; N141-L145 PolarHBondContact O-N 2.86Å; N141-P180 HydrophobicContact CB-CB 3.76Å; N141-E277 PolarHBondContact ND2-O 3.4Å; N141-L278 WeakPolarHBondContact ND2-CD2 3.4Å; N141-L278 WeakPolarHBondContact OD1-CA 3.32Å; N141-L279 PolarHBondContact OD1-N 2.97Å |
| 142 | A | 95.3 | Very high | 93.4 | Very high | 48 Ų | 48 | 57.5 Ų | 57.5 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | D139 L144 S146 | D139-A142 WeakPolarHBondContact OD1-CB 3.44Å; D139-A142 PolarHBondContact OD1-N 2.93Å; A142-L144 PolarHBondContact O-N 2.9Å; A142-S146 VanDerWaalsContact O-CB 3.27Å; A142-S146 WeakPolarHBondContact O-CB 3.38Å; A142-S146 PolarHBondContact O-N 3Å; A142-S146 PolarHBondContact O-OG 2.96Å |
| 143 | Y | 95.9 | Very high | 93.2 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.9 | -46 | 179 | -176 | -86.9 | 0 | 0 | 0 | 112.2 | D139 N141 S146 R147 T153 F157 I185 Q187 P197 | D139-Y143 WeakPolarHBondContact O-CB 3.41Å; D139-Y143 PolarHBondContact O-N 3.08Å; N141-Y143 VanDerWaalsContact C-N 3.29Å; N141-Y143 PolarHBondContact O-N 3.23Å; Y143-S146 PolarHBondContact O-OG 3.01Å; Y143-S146 VanDerWaalsContact O-OG 3.07Å; Y143-R147 VanDerWaalsContact CD2-CZ 3.46Å; Y143-R147 VanDerWaalsContact CE2-NH2 3.26Å; Y143-R147 WeakPolarHBondContact O-CD 3.19Å; Y143-R147 WeakPolarHBondContact O-CG 3.43Å; Y143-R147 PolarHBondContact O-NH1 2.89Å; Y143-T153 HydrophobicContact CE1-CG2 4.49Å; Y143-F157 AromaticContact CD1-CE2 3.98Å; Y143-F157 HydrophobicContact CD1-CE2 3.98Å; Y143-F157 HydrophobicContact CD1-CZ 4.02Å; Y143-F157 HydrophobicContact CE1-CE2 4.13Å; Y143-F157 AromaticContact CE1-CZ 3.83Å; Y143-F157 HydrophobicContact CE1-CZ 3.83Å; Y143-I185 HydrophobicContact CD1-CG1 4.38Å; Y143-I185 HydrophobicContact CD2-CB 4.08Å; Y143-I185 HydrophobicContact CD2-CG1 4.04Å; Y143-I185 HydrophobicContact CD2-CG2 3.72Å; Y143-I185 HydrophobicContact CE2-CG2 3.77Å; Y143-I185 HydrophobicContact CG-CB 4.39Å; Y143-I185 HydrophobicContact CG-CG1 3.82Å; Y143-I185 HydrophobicContact CG-CG2 4.26Å; Y143-Q187 HydrophobicContact CE2-CG 4.46Å; Y143-P197 HydrophobicContact CE1-CG 4.33Å; Y143-P197 HydrophobicContact CE2-CB 4.47Å; Y143-P197 WeakPolarHBondContact OH-CG 3.21Å |
| 144 | L | 95.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.2 | -45.7 | 179.8 | -72.7 | 174.4 | 0 | 0 | 0 | 111.5 | M140 N141 A142 S146 R147 F157 M263 R266 L279 | M140-L144 HydrophobicContact CE-CD1 3.57Å; M140-L144 HydrophobicContact CG-CD1 3.71Å; M140-L144 HydrophobicContact CG-CG 4.2Å; M140-L144 VanDerWaalsContact O-CB 3.31Å; M140-L144 WeakPolarHBondContact O-CB 3.32Å; M140-L144 VanDerWaalsContact O-CG 3.3Å; M140-L144 WeakPolarHBondContact O-CG 3.31Å; M140-L144 PolarHBondContact O-N 3.37Å; N141-L144 PolarHBondContact O-N 3.02Å; A142-L144 PolarHBondContact O-N 2.9Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.39Å; L144-R147 PolarHBondContact O-N 3.32Å; L144-R147 VanDerWaalsContact O-N 3.12Å; L144-F157 HydrophobicContact CD2-CD2 4.25Å; L144-F157 HydrophobicContact CD2-CE2 4.07Å; L144-F157 HydrophobicContact CG-CE2 4.42Å; L144-M263 HydrophobicContact CD1-CB 4.31Å; L144-M263 HydrophobicContact CD1-CG 3.78Å; L144-M263 HydrophobicContact CD1-SD 3.89Å; L144-R266 VanDerWaalsContact O-CZ 3.25Å; L144-R266 PolarHBondContact O-NH1 3.26Å; L144-R266 PolarHBondContact O-NH2 2.9Å; L144-L279 HydrophobicContact CB-CD1 3.89Å; L144-L279 HydrophobicContact CD1-CD1 3.51Å; L144-L279 HydrophobicContact CG-CD1 4.35Å |
| 145 | L | 95.2 | Very high | 93 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.4 | -31.8 | -176.8 | -65.4 | 179.4 | 0 | 0 | 0 | 113.1 | N141 R147 T268 E277 L279 | N141-L145 WeakPolarHBondContact O-CB 3.43Å; N141-L145 VanDerWaalsContact O-CG 3.29Å; N141-L145 WeakPolarHBondContact O-CG 3.44Å; N141-L145 PolarHBondContact O-N 2.86Å; L145-R147 PolarHBondContact O-N 3.45Å; L145-T268 HydrophobicContact CD2-CG2 3.57Å; L145-E277 HydrophobicContact CD1-CB 4.11Å; L145-E277 HydrophobicContact CD1-CG 3.94Å; L145-E277 WeakPolarHBondContact CD1-O 3.45Å; L145-L279 HydrophobicContact CD2-CD2 4.25Å; L145-L279 HydrophobicContact CD2-CG 4.21Å |
| 146 | S | 94.6 | Very high | 92.9 | Very high | 86 Ų | 86 | 56.1 Ų | 56.1 | 60% | 0.601 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -5.4 | 174.5 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | A142 Y143 L144 | A142-S146 VanDerWaalsContact O-CB 3.27Å; A142-S146 WeakPolarHBondContact O-CB 3.38Å; A142-S146 PolarHBondContact O-N 3Å; A142-S146 PolarHBondContact O-OG 2.96Å; Y143-S146 PolarHBondContact O-OG 3.01Å; Y143-S146 VanDerWaalsContact O-OG 3.07Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.39Å |
| 147 | R | 93.1 | Very high | 93.1 | Very high | 95 Ų | 95 | 52.6 Ų | 52.6 | 36% | 0.358 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -130.5 | 152.9 | -172 | -67.5 | 174.3 | 176.6 | 78.1 | -4.8 | 112.1 | Y143 L144 L145 R266 | Y143-R147 VanDerWaalsContact CD2-CZ 3.46Å; Y143-R147 VanDerWaalsContact CE2-NH2 3.26Å; Y143-R147 WeakPolarHBondContact O-CD 3.19Å; Y143-R147 WeakPolarHBondContact O-CG 3.43Å; Y143-R147 PolarHBondContact O-NH1 2.89Å; L144-R147 PolarHBondContact O-N 3.32Å; L144-R147 VanDerWaalsContact O-N 3.12Å; L145-R147 PolarHBondContact O-N 3.45Å; R147-R266 PolarHBondContact O-NH2 3.09Å; R147-R266 VanDerWaalsContact O-NH2 3.1Å |
| 148 | K | 90.2 | Very high | 93.2 | Very high | 191 Ų | 191 | 52.1 Ų | 52.1 | 83% | 0.83 | 28% | 0.278 | S | S | * | . | trans | -63.1 | 146.4 | 172.4 | -67.9 | -174.5 | -179.9 | 178.6 | 0 | 110.6 | S150 | K148-S150 PolarHBondContact O-N 3.02Š| ||
| 149 | P | 86.9 | Confident | 93.4 | Very high | 85 Ų | 85 | 53 Ų | 53 | 55% | 0.552 | 27% | 0.274 | S | S | * | . | trans | -56.5 | 131.8 | 174.6 | -23.7 | 34.6 | 0 | 0 | 0 | 111.4 | R266 | P149-R266 HydrophobicContact CB-CG 4.26Å; P149-R266 HydrophobicContact CG-CG 3.62Å | ||
| 150 | S | 89.1 | Confident | 93.5 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | trans | -130.8 | 114.1 | -178.5 | 166.4 | 0 | 0 | 0 | 0 | 108.3 | K148 K152 T153 N154 | K148-S150 PolarHBondContact O-N 3.02Å; S150-K152 VanDerWaalsContact C-N 3.29Å; S150-K152 PolarHBondContact O-N 3.18Å; S150-T153 WeakPolarHBondContact CB-OG1 3.17Å; S150-T153 PolarHBondContact O-N 3.38Å; S150-T153 WeakPolarHBondContact OG-CB 3.39Å; S150-T153 PolarHBondContact OG-N 3.02Å; S150-T153 VanDerWaalsContact OG-N 3.16Å; S150-T153 PolarHBondContact OG-OG1 2.82Å; S150-N154 WeakPolarHBondContact O-CB 3.45Å; S150-N154 PolarHBondContact O-N 3.26Å; S150-N154 PolarHBondContact O-OD1 3.48Å | ||
| 151 | R | 87.4 | Confident | 93.6 | Very high | 145 Ų | 145 | 52.3 Ų | 52.3 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 177.6 | -83.3 | -174.6 | -98 | 165.3 | -5 | 111.6 | T153 N154 T155 K311 | R151-T153 VanDerWaalsContact C-N 3.34Å; R151-T153 PolarHBondContact O-N 3.21Å; R151-N154 PolarHBondContact O-N 3.06Å; R151-T155 PolarHBondContact O-N 3.46Å; R151-T155 PolarHBondContact O-OG1 3.15Å; R151-T155 VanDerWaalsContact O-OG1 3.11Å; R151-K311 VanDerWaalsContact CD-O 3.23Å; R151-K311 WeakPolarHBondContact CD-O 3.41Å; R151-K311 PolarHBondContact NE-O 3.02Å; R151-K311 PolarHBondContact NH1-O 3.4Å; R151-K311 VanDerWaalsContact NH1-O 3.09Å; R151-K311 PolarHBondContact NH2-O 3.27Å |
| 152 | K | 88.6 | Confident | 93.7 | Very high | 142 Ų | 142 | 51.9 Ų | 51.9 | 62% | 0.617 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -56.6 | -46.7 | 175.9 | -172.8 | -179.1 | 179.5 | -167.7 | 0 | 112.1 | S150 S156 E196 | S150-K152 VanDerWaalsContact C-N 3.29Å; S150-K152 PolarHBondContact O-N 3.18Å; K152-S156 WeakPolarHBondContact O-CB 3.01Å; K152-S156 PolarHBondContact O-N 3.07Å; K152-E196 WeakPolarHBondContact CE-OE1 3.49Å; K152-E196 IonicContact NZ-OE1 2.63Å; K152-E196 PolarHBondContact NZ-OE1 2.96Å |
| 153 | T | 91.6 | Very high | 93.8 | Very high | 34 Ų | 34 | 51 Ų | 51 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 178.2 | -55 | 0 | 0 | 0 | 0 | 111.2 | Y143 S150 R151 S156 F157 | Y143-T153 HydrophobicContact CE1-CG2 4.49Å; S150-T153 WeakPolarHBondContact CB-OG1 3.17Å; S150-T153 PolarHBondContact O-N 3.38Å; S150-T153 WeakPolarHBondContact OG-CB 3.39Å; S150-T153 PolarHBondContact OG-N 3.02Å; S150-T153 VanDerWaalsContact OG-N 3.16Å; S150-T153 PolarHBondContact OG-OG1 2.82Å; R151-T153 VanDerWaalsContact C-N 3.34Å; R151-T153 PolarHBondContact O-N 3.21Å; T153-S156 PolarHBondContact O-N 2.99Å; T153-F157 HydrophobicContact CG2-CD1 4.25Å; T153-F157 HydrophobicContact CG2-CD2 4.12Å; T153-F157 HydrophobicContact CG2-CE1 4.04Å; T153-F157 HydrophobicContact CG2-CE2 3.87Å; T153-F157 HydrophobicContact CG2-CG 4.31Å; T153-F157 HydrophobicContact CG2-CZ 3.84Å; T153-F157 WeakPolarHBondContact O-CB 2.74Å; T153-F157 WeakPolarHBondContact O-CG 3.49Å; T153-F157 PolarHBondContact O-N 2.85Å |
| 154 | N | 92.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 177.9 | -69.5 | 4.8 | 0 | 0 | 0 | 111.2 | S150 R151 S156 F157 M158 M263 | S150-N154 WeakPolarHBondContact O-CB 3.45Å; S150-N154 PolarHBondContact O-N 3.26Å; S150-N154 PolarHBondContact O-OD1 3.48Å; R151-N154 PolarHBondContact O-N 3.06Å; N154-S156 PolarHBondContact O-N 3.37Å; N154-F157 PolarHBondContact O-N 2.92Å; N154-M158 VanDerWaalsContact O-CG 3.29Å; N154-M158 WeakPolarHBondContact O-CG 3.31Å; N154-M158 PolarHBondContact O-N 3.33Å; N154-M263 HydrophobicContact CB-CE 4.21Å; N154-M263 HydrophobicContact CB-CG 4.31Å; N154-M263 HydrophobicContact CB-SD 4.21Å; N154-M263 PolarHBondContact ND2-O 3.24Å; N154-M263 WeakPolarHBondContact OD1-CG 3.35Å |
| 155 | T | 92.5 | Very high | 94.1 | Very high | 28 Ų | 28 | 50 Ų | 50 | 17% | 0.172 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 177.2 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | R151 F157 M158 L159 A346 E349 | R151-T155 PolarHBondContact O-N 3.46Å; R151-T155 PolarHBondContact O-OG1 3.15Å; R151-T155 VanDerWaalsContact O-OG1 3.11Å; T155-F157 PolarHBondContact O-N 3.46Å; T155-M158 PolarHBondContact O-N 3.22Å; T155-L159 HydrophobicContact CG2-CD1 4.27Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 3.14Å; T155-L159 VanDerWaalsContact O-N 3.07Å; T155-A346 HydrophobicContact CG2-CB 3.86Å; T155-E349 PolarHBondContact OG1-OE2 3.1Å |
| 156 | S | 94.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | K152 T153 N154 L159 Q160 | K152-S156 WeakPolarHBondContact O-CB 3.01Å; K152-S156 PolarHBondContact O-N 3.07Å; T153-S156 PolarHBondContact O-N 2.99Å; N154-S156 PolarHBondContact O-N 3.37Å; S156-L159 PolarHBondContact O-N 2.87Å; S156-Q160 WeakPolarHBondContact O-CB 3.35Å; S156-Q160 VanDerWaalsContact O-CG 3.29Å; S156-Q160 WeakPolarHBondContact O-CG 3.17Å; S156-Q160 PolarHBondContact O-N 3.38Å; S156-Q160 PolarHBondContact OG-NE2 3.22Å |
| 157 | F | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 178.6 | -75.9 | 4.1 | 0 | 0 | 0 | 112.5 | M140 Y143 L144 T153 N154 T155 L159 Q160 L161 I185 P197 L199 M263 | M140-F157 HydrophobicContact CE-CD2 4.2Å; M140-F157 HydrophobicContact CG-CD2 4.48Å; M140-F157 HydrophobicContact CG-CE2 4.49Å; Y143-F157 AromaticContact CD1-CE2 3.98Å; Y143-F157 HydrophobicContact CD1-CE2 3.98Å; Y143-F157 HydrophobicContact CD1-CZ 4.02Å; Y143-F157 HydrophobicContact CE1-CE2 4.13Å; Y143-F157 AromaticContact CE1-CZ 3.83Å; Y143-F157 HydrophobicContact CE1-CZ 3.83Å; L144-F157 HydrophobicContact CD2-CD2 4.25Å; L144-F157 HydrophobicContact CD2-CE2 4.07Å; L144-F157 HydrophobicContact CG-CE2 4.42Å; T153-F157 HydrophobicContact CG2-CD1 4.25Å; T153-F157 HydrophobicContact CG2-CD2 4.12Å; T153-F157 HydrophobicContact CG2-CE1 4.04Å; T153-F157 HydrophobicContact CG2-CE2 3.87Å; T153-F157 HydrophobicContact CG2-CG 4.31Å; T153-F157 HydrophobicContact CG2-CZ 3.84Å; T153-F157 WeakPolarHBondContact O-CB 2.74Å; T153-F157 WeakPolarHBondContact O-CG 3.49Å; T153-F157 PolarHBondContact O-N 2.85Å; N154-F157 PolarHBondContact O-N 2.92Å; T155-F157 PolarHBondContact O-N 3.46Å; F157-L159 PolarHBondContact O-N 2.88Å; F157-Q160 PolarHBondContact O-N 2.77Å; F157-L161 WeakPolarHBondContact O-CB 3.09Å; F157-L161 WeakPolarHBondContact O-CG 3.41Å; F157-L161 PolarHBondContact O-N 2.75Å; F157-I185 HydrophobicContact CE1-CD1 4.38Å; F157-I185 HydrophobicContact CE2-CD1 3.97Å; F157-I185 HydrophobicContact CZ-CD1 3.67Å; F157-P197 HydrophobicContact CE1-CB 4.15Å; F157-P197 HydrophobicContact CE1-CG 3.72Å; F157-P197 HydrophobicContact CZ-CB 4.23Å; F157-P197 HydrophobicContact CZ-CG 3.89Å; F157-L199 HydrophobicContact CB-CD2 3.73Å; F157-L199 HydrophobicContact CD1-CD2 3.8Å; F157-L199 HydrophobicContact CD2-CD2 4.43Å; F157-L199 HydrophobicContact CE1-CD2 4.46Å; F157-L199 HydrophobicContact CG-CD2 3.76Å; F157-L199 WeakPolarHBondContact O-CD2 3.44Å; F157-M263 HydrophobicContact CB-CE 4.39Å; F157-M263 HydrophobicContact CB-SD 4.1Å; F157-M263 HydrophobicContact CD2-SD 4.25Å |
| 158 | M | 96.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.2 | -69.6 | 179.2 | -164.2 | 0 | 0 | 111.8 | N154 T155 L161 G162 F260 M263 V264 M317 L342 | N154-M158 VanDerWaalsContact O-CG 3.29Å; N154-M158 WeakPolarHBondContact O-CG 3.31Å; N154-M158 PolarHBondContact O-N 3.33Å; T155-M158 PolarHBondContact O-N 3.22Å; M158-L161 PolarHBondContact O-N 2.88Å; M158-G162 PolarHBondContact O-N 3.11Å; M158-F260 HydrophobicContact CB-CE1 4.05Å; M158-F260 HydrophobicContact CB-CE2 4.16Å; M158-F260 HydrophobicContact CB-CZ 3.85Å; M158-F260 HydrophobicContact CE-CB 4.28Å; M158-F260 HydrophobicContact CE-CG 4.47Å; M158-F260 HydrophobicContact CG-CD1 3.76Å; M158-F260 HydrophobicContact CG-CD2 4.08Å; M158-F260 HydrophobicContact CG-CE1 3.78Å; M158-F260 HydrophobicContact CG-CE2 4.1Å; M158-F260 HydrophobicContact CG-CG 3.91Å; M158-F260 HydrophobicContact CG-CZ 3.95Å; M158-F260 HydrophobicContact SD-CD2 4.27Å; M158-F260 HydrophobicContact SD-CG 4.32Å; M158-M263 HydrophobicContact CE-CE 3.72Å; M158-M263 HydrophobicContact CG-CE 3.57Å; M158-V264 HydrophobicContact CE-CG2 3.11Å; M158-M317 HydrophobicContact SD-CE 3.46Å; M158-M317 WeakPolarHBondContact SD-CE 3.36Å; M158-M317 HydrophobicContact SD-CG 4.4Å; M158-M317 HydrophobicContact SD-SD 3.66Å; M158-M317 VanDerWaalsContact SD-SD 3.66Å; M158-L342 HydrophobicContact CB-CD2 4.09Å; M158-L342 WeakPolarHBondContact O-CD1 3.43Å |
| 159 | L | 97.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 32.3 Ų | 32.3 | 29% | 0.293 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.2 | -47 | 177.5 | -71.2 | 167.3 | 0 | 0 | 0 | 111.6 | T155 S156 F157 L161 G162 S163 L342 V343 A346 | T155-L159 HydrophobicContact CG2-CD1 4.27Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 3.14Å; T155-L159 VanDerWaalsContact O-N 3.07Å; S156-L159 PolarHBondContact O-N 2.87Å; F157-L159 PolarHBondContact O-N 2.88Å; L159-L161 PolarHBondContact O-N 2.88Å; L159-G162 PolarHBondContact O-N 2.88Å; L159-S163 WeakPolarHBondContact O-CB 3.39Å; L159-S163 PolarHBondContact O-N 3.39Å; L159-L342 HydrophobicContact CD2-CB 3.92Å; L159-V343 HydrophobicContact CD2-CB 4.48Å; L159-V343 HydrophobicContact CD2-CG2 3.94Å; L159-A346 HydrophobicContact CD1-CB 3.88Å; L159-A346 HydrophobicContact CD2-CB 4.12Å; L159-A346 HydrophobicContact CG-CB 4.38Å |
| 160 | Q | 97.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 12% | 0.121 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 178.4 | -72.2 | -179.3 | 66.6 | 0 | 0 | 112.2 | N79 S156 F157 A164 P197 L199 | N79-Q160 HydrophobicContact CB-CB 4.48Å; N79-Q160 WeakPolarHBondContact ND2-CG 3.4Å; N79-Q160 PolarHBondContact ND2-OE1 2.82Å; S156-Q160 WeakPolarHBondContact O-CB 3.35Å; S156-Q160 VanDerWaalsContact O-CG 3.29Å; S156-Q160 WeakPolarHBondContact O-CG 3.17Å; S156-Q160 PolarHBondContact O-N 3.38Å; S156-Q160 PolarHBondContact OG-NE2 3.22Å; F157-Q160 PolarHBondContact O-N 2.77Å; Q160-A164 WeakPolarHBondContact O-CB 3.26Å; Q160-A164 PolarHBondContact O-N 3.11Å; Q160-P197 PolarHBondContact NE2-O 2.92Å; Q160-L199 HydrophobicContact CB-CD1 3.83Å; Q160-L199 HydrophobicContact CB-CD2 3.79Å; Q160-L199 HydrophobicContact CB-CG 3.61Å; Q160-L199 HydrophobicContact CG-CG 4.45Å |
| 161 | L | 98.4 | Very high | 95 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.2 | -41.6 | 176.4 | -75.6 | 167.4 | 0 | 0 | 0 | 112.5 | M140 F157 M158 L159 S163 A164 L165 I183 L199 V201 L256 I259 F260 | M140-L161 HydrophobicContact CE-CD1 4.21Å; M140-L161 HydrophobicContact SD-CD1 4.21Å; F157-L161 WeakPolarHBondContact O-CB 3.09Å; F157-L161 WeakPolarHBondContact O-CG 3.41Å; F157-L161 PolarHBondContact O-N 2.75Å; M158-L161 PolarHBondContact O-N 2.88Å; L159-L161 PolarHBondContact O-N 2.88Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.98Å; L161-A164 PolarHBondContact O-N 3.5Å; L161-L165 WeakPolarHBondContact O-CB 3.48Å; L161-L165 PolarHBondContact O-N 2.84Å; L161-I183 HydrophobicContact CD1-CD1 4.14Å; L161-I183 HydrophobicContact CD2-CD1 3.58Å; L161-I183 HydrophobicContact CD2-CG1 3.96Å; L161-I183 HydrophobicContact CD2-CG2 4.18Å; L161-L199 HydrophobicContact CD1-CD2 4.26Å; L161-L199 HydrophobicContact CD2-CD1 3.76Å; L161-L199 HydrophobicContact CD2-CD2 4.29Å; L161-L199 HydrophobicContact CG-CD1 3.95Å; L161-L199 HydrophobicContact CG-CD2 3.77Å; L161-V201 HydrophobicContact CD2-CG2 3.98Å; L161-L256 HydrophobicContact CB-CD1 4.49Å; L161-L256 HydrophobicContact CB-CD2 4.14Å; L161-L256 HydrophobicContact CD1-CD2 4.32Å; L161-L256 HydrophobicContact CD2-CD2 4.27Å; L161-L256 HydrophobicContact CG-CD2 4.47Å; L161-I259 HydrophobicContact CD1-CG2 4.34Å; L161-F260 HydrophobicContact CB-CE1 4.03Å; L161-F260 HydrophobicContact CB-CZ 4.27Å; L161-F260 HydrophobicContact CD1-CE1 3.82Å |
| 162 | G | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M158 L159 L165 A166 | M158-G162 PolarHBondContact O-N 3.11Å; L159-G162 PolarHBondContact O-N 2.88Å; G162-L165 PolarHBondContact O-N 3.4Å; G162-A166 WeakPolarHBondContact O-CB 3.44Å; G162-A166 PolarHBondContact O-N 2.93Å |
| 163 | S | 98.3 | Very high | 95.3 | Very high | 28 Ų | 28 | 26.5 Ų | 26.5 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.1 | -43.9 | 177.6 | -161.5 | 0 | 0 | 0 | 0 | 112.7 | H77 L159 L161 L165 A166 F167 E339 | H77-S163 PolarHBondContact NE2-OG 3.49Å; L159-S163 WeakPolarHBondContact O-CB 3.39Å; L159-S163 PolarHBondContact O-N 3.39Å; L161-S163 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 2.98Å; S163-L165 VanDerWaalsContact C-N 3.33Å; S163-L165 PolarHBondContact O-N 3.47Å; S163-A166 PolarHBondContact O-N 3.4Å; S163-F167 WeakPolarHBondContact O-CB 3.29Å; S163-F167 PolarHBondContact O-N 2.94Å; S163-E339 VanDerWaalsContact CA-OE1 3.28Å; S163-E339 WeakPolarHBondContact CA-OE1 3.43Å; S163-E339 VanDerWaalsContact CB-OE1 3.26Å; S163-E339 WeakPolarHBondContact CB-OE1 3.36Å; S163-E339 PolarHBondContact OG-OE1 3.31Å |
| 164 | A | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.4 | -45.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N79 V80 Q160 L161 F167 L168 V201 | N79-A164 HydrophobicContact CB-CB 3.77Å; N79-A164 WeakPolarHBondContact O-CB 3.45Å; V80-A164 HydrophobicContact CG2-CB 4.12Å; Q160-A164 WeakPolarHBondContact O-CB 3.26Å; Q160-A164 PolarHBondContact O-N 3.11Å; L161-A164 PolarHBondContact O-N 3.5Å; A164-F167 WeakPolarHBondContact O-CB 3.28Å; A164-F167 PolarHBondContact O-N 3.08Å; A164-L168 WeakPolarHBondContact O-CG 3.47Å; A164-L168 PolarHBondContact O-N 3.3Å; A164-V201 HydrophobicContact CB-CG2 3.71Å |
| 165 | L | 98 | Very high | 95.4 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.6 | -42.4 | -178.1 | -171 | 61.1 | 0 | 0 | 0 | 112.1 | L161 G162 S163 F167 L168 H169 L178 D252 I253 L256 A335 | L161-L165 WeakPolarHBondContact O-CB 3.48Å; L161-L165 PolarHBondContact O-N 2.84Å; G162-L165 PolarHBondContact O-N 3.4Å; S163-L165 VanDerWaalsContact C-N 3.33Å; S163-L165 PolarHBondContact O-N 3.47Å; L165-F167 VanDerWaalsContact C-N 3.25Å; L165-F167 PolarHBondContact O-N 3.25Å; L165-L168 PolarHBondContact O-N 2.99Å; L165-H169 VanDerWaalsContact CD1-NE2 3.31Å; L165-H169 WeakPolarHBondContact CD1-NE2 3.47Å; L165-H169 WeakPolarHBondContact O-CB 3.34Å; L165-H169 PolarHBondContact O-N 2.92Å; L165-L178 HydrophobicContact CD1-CD1 4.04Å; L165-D252 HydrophobicContact CD1-CB 3.8Å; L165-D252 HydrophobicContact CD2-CB 4.05Å; L165-I253 HydrophobicContact CD2-CD1 3.59Å; L165-I253 HydrophobicContact CD2-CG1 4.45Å; L165-L256 HydrophobicContact CB-CD1 4.03Å; L165-L256 HydrophobicContact CD2-CD1 3.41Å; L165-L256 VanDerWaalsContact CD2-CD1 3.41Å; L165-L256 HydrophobicContact CD2-CG 4.07Å; L165-L256 HydrophobicContact CG-CD1 4.32Å; L165-A335 HydrophobicContact CB-CB 4.45Å; L165-A335 HydrophobicContact CD2-CB 4.27Å; L165-A335 HydrophobicContact CG-CB 3.92Å |
| 166 | A | 97.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 24 Ų | 24 | 9% | 0.091 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.8 | -42 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | G162 S163 R170 A335 E339 | G162-A166 WeakPolarHBondContact O-CB 3.44Å; G162-A166 PolarHBondContact O-N 2.93Å; S163-A166 PolarHBondContact O-N 3.4Å; A166-R170 VanDerWaalsContact O-CB 3.24Å; A166-R170 WeakPolarHBondContact O-CB 3.29Å; A166-R170 PolarHBondContact O-N 3.36Å; A166-A335 HydrophobicContact CB-CB 4.38Å; A166-E339 HydrophobicContact CB-CB 4.09Å; A166-E339 WeakPolarHBondContact CB-OE2 3.31Å |
| 167 | F | 97.1 | Very high | 95.2 | Very high | 24 Ų | 24 | 23.5 Ų | 23.5 | 11% | 0.105 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.8 | -48.6 | 174.6 | 176.6 | -93.1 | 0 | 0 | 0 | 112.7 | I73 S75 H77 V80 S163 A164 L165 R170 N171 | I73-F167 HydrophobicContact CG2-CE1 3.83Å; I73-F167 HydrophobicContact CG2-CZ 3.73Å; S75-F167 WeakPolarHBondContact O-CZ 3.39Å; H77-F167 HydrophobicContact CB-CD1 3.66Å; H77-F167 HydrophobicContact CB-CD2 3.92Å; H77-F167 HydrophobicContact CB-CE1 3.74Å; H77-F167 HydrophobicContact CB-CE2 3.99Å; H77-F167 HydrophobicContact CB-CG 3.75Å; H77-F167 HydrophobicContact CB-CZ 3.91Å; H77-F167 AromaticContact CD2-CD2 3.6Å; H77-F167 AromaticContact CD2-CG 3.58Å; H77-F167 AromaticContact CG-CD1 3.97Å; H77-F167 AromaticContact CG-CD2 3.97Å; H77-F167 AromaticContact CG-CG 3.67Å; V80-F167 HydrophobicContact CG2-CD1 3.91Å; V80-F167 HydrophobicContact CG2-CE1 4.45Å; S163-F167 WeakPolarHBondContact O-CB 3.29Å; S163-F167 PolarHBondContact O-N 2.94Å; A164-F167 WeakPolarHBondContact O-CB 3.28Å; A164-F167 PolarHBondContact O-N 3.08Å; L165-F167 VanDerWaalsContact C-N 3.25Å; L165-F167 PolarHBondContact O-N 3.25Å; F167-R170 PolarHBondContact O-N 2.79Å; F167-N171 WeakPolarHBondContact CE2-ND2 3.38Å; F167-N171 VanDerWaalsContact CZ-ND2 3.31Å; F167-N171 WeakPolarHBondContact CZ-ND2 3.43Å; F167-N171 PolarHBondContact O-N 2.77Å; F167-N171 VanDerWaalsContact O-N 3.11Å; F167-N171 PolarHBondContact O-ND2 3.45Å |
| 168 | L | 95.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -48.9 | 179.1 | -72.1 | 177.8 | 0 | 0 | 0 | 111.9 | I73 V80 A164 L165 R170 N171 Q172 I173 V201 F204 | I73-L168 HydrophobicContact CD1-CD2 4.37Å; V80-L168 HydrophobicContact CG1-CD2 4.12Å; V80-L168 HydrophobicContact CG2-CD2 4.12Å; V80-L168 HydrophobicContact CG2-CG 4.13Å; A164-L168 WeakPolarHBondContact O-CG 3.47Å; A164-L168 PolarHBondContact O-N 3.3Å; L165-L168 PolarHBondContact O-N 2.99Å; L168-R170 VanDerWaalsContact C-N 3.31Å; L168-R170 PolarHBondContact O-N 3.46Å; L168-N171 CarbonylContact O-C 3.51Å; L168-N171 WeakPolarHBondContact O-CA 3.33Å; L168-N171 PolarHBondContact O-N 2.8Å; L168-Q172 PolarHBondContact O-N 2.86Å; L168-I173 CarbonylContact C-O 3.25Å; L168-I173 HydrophobicContact CB-CB 4.45Å; L168-I173 HydrophobicContact CD2-CB 4.4Å; L168-I173 HydrophobicContact CD2-CD1 4.32Å; L168-I173 HydrophobicContact CD2-CG2 4.3Å; L168-I173 PolarHBondContact O-N 3.4Å; L168-V201 HydrophobicContact CD1-CG1 4.19Å; L168-F204 HydrophobicContact CD1-CE1 4.02Å; L168-F204 HydrophobicContact CD1-CZ 4.19Å; L168-F204 HydrophobicContact CD2-CE1 3.62Å; L168-F204 HydrophobicContact CD2-CZ 3.93Å; L168-F204 HydrophobicContact CG-CE1 4.49Å |
| 169 | H | 94.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 25.3 Ų | 25.3 | 6% | 0.056 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -35.6 | -179.6 | -75.4 | -167 | 0 | 0 | 0 | 112 | L165 N171 Q172 I173 V223 A249 D252 A335 | L165-H169 VanDerWaalsContact CD1-NE2 3.31Å; L165-H169 WeakPolarHBondContact CD1-NE2 3.47Å; L165-H169 WeakPolarHBondContact O-CB 3.34Å; L165-H169 PolarHBondContact O-N 2.92Å; H169-N171 VanDerWaalsContact C-N 3.31Å; H169-N171 PolarHBondContact O-N 2.93Å; H169-Q172 PolarHBondContact O-N 2.94Å; H169-Q172 VanDerWaalsContact O-N 3.09Å; H169-Q172 PolarHBondContact O-NE2 3.03Å; H169-I173 PolarHBondContact CD2-O 3.41Å; H169-V223 HydrophobicContact CB-CG2 3.86Å; H169-A249 PolarHBondContact CE1-O 3.02Å; H169-A249 VanDerWaalsContact CE1-O 3.28Å; H169-D252 IonicContact CD2-OD2 3.57Å; H169-D252 IonicContact CE1-OD2 3.69Å; H169-D252 IonicContact NE2-OD2 2.65Å; H169-D252 PolarHBondContact NE2-OD2 3.01Å; H169-A335 HydrophobicContact CB-CB 4.13Å; H169-A335 WeakPolarHBondContact ND1-CB 3.48Å |
| 170 | R | 93 | Very high | 95 | Very high | 211 Ų | 211 | 22.7 Ų | 22.7 | 80% | 0.796 | 10% | 0.103 | S | C | * | . | H | α-helix | trans | -62.1 | -37.8 | 172.1 | -179.7 | 178.7 | 176.4 | -175.9 | -1.3 | 112.3 | A166 F167 L168 Q172 | A166-R170 VanDerWaalsContact O-CB 3.24Å; A166-R170 WeakPolarHBondContact O-CB 3.29Å; A166-R170 PolarHBondContact O-N 3.36Å; F167-R170 PolarHBondContact O-N 2.79Å; L168-R170 VanDerWaalsContact C-N 3.31Å; L168-R170 PolarHBondContact O-N 3.46Å; R170-Q172 PolarHBondContact O-N 3.43Å |
| 171 | N | 91.1 | Very high | 94.8 | Very high | 38 Ų | 38 | 23.5 Ų | 23.5 | 20% | 0.203 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 13.8 | 175.3 | -72.8 | -85.6 | 0 | 0 | 0 | 113.2 | F167 L168 H169 I173 | F167-N171 WeakPolarHBondContact CE2-ND2 3.38Å; F167-N171 VanDerWaalsContact CZ-ND2 3.31Å; F167-N171 WeakPolarHBondContact CZ-ND2 3.43Å; F167-N171 PolarHBondContact O-N 2.77Å; F167-N171 VanDerWaalsContact O-N 3.11Å; F167-N171 PolarHBondContact O-ND2 3.45Å; L168-N171 CarbonylContact O-C 3.51Å; L168-N171 WeakPolarHBondContact O-CA 3.33Å; L168-N171 PolarHBondContact O-N 2.8Å; H169-N171 VanDerWaalsContact C-N 3.31Å; H169-N171 PolarHBondContact O-N 2.93Å; N171-I173 VanDerWaalsContact C-N 3.27Å; N171-I173 HydrophobicContact CB-CD1 4.21Å; N171-I173 PolarHBondContact O-N 3.44Å |
| 172 | Q | 90.8 | Very high | 94.7 | Very high | 44 Ų | 44 | 24 Ų | 24 | 21% | 0.206 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 29.1 | 179.8 | -54.6 | -56.7 | -60.8 | 0 | 0 | 114.9 | L168 H169 R170 C210 A221 S222 V223 | L168-Q172 PolarHBondContact O-N 2.86Å; H169-Q172 PolarHBondContact O-N 2.94Å; H169-Q172 VanDerWaalsContact O-N 3.09Å; H169-Q172 PolarHBondContact O-NE2 3.03Å; R170-Q172 PolarHBondContact O-N 3.43Å; Q172-C210 HydrophobicContact CB-CB 4.11Å; Q172-C210 WeakPolarHBondContact CB-O 3.37Å; Q172-C210 PolarHBondContact O-N 3.15Å; Q172-A221 PolarHBondContact OE1-O 2.96Å; Q172-S222 VanDerWaalsContact OE1-CA 3.24Å; Q172-V223 VanDerWaalsContact C-CG1 3.5Å; Q172-V223 VanDerWaalsContact CA-CG1 3.42Å; Q172-V223 HydrophobicContact CB-CG1 4.16Å |
| 173 | I | 91.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.9 | 178.7 | -59.7 | 165.8 | 0 | 0 | 0 | 109.1 | I73 L168 H169 N171 F204 K208 V209 | I73-I173 HydrophobicContact CD1-CD1 3.93Å; I73-I173 HydrophobicContact CG1-CD1 3.48Å; I73-I173 VanDerWaalsContact CG1-CD1 3.48Å; L168-I173 CarbonylContact C-O 3.25Å; L168-I173 HydrophobicContact CB-CB 4.45Å; L168-I173 HydrophobicContact CD2-CB 4.4Å; L168-I173 HydrophobicContact CD2-CD1 4.32Å; L168-I173 HydrophobicContact CD2-CG2 4.3Å; L168-I173 PolarHBondContact O-N 3.4Å; H169-I173 PolarHBondContact CD2-O 3.41Å; N171-I173 VanDerWaalsContact C-N 3.27Å; N171-I173 HydrophobicContact CB-CD1 4.21Å; N171-I173 PolarHBondContact O-N 3.44Å; I173-F204 HydrophobicContact CG2-CD1 4.17Å; I173-F204 HydrophobicContact CG2-CE1 4.18Å; I173-K208 WeakPolarHBondContact CA-O 3.32Å; I173-V209 HydrophobicContact CG1-CG2 4.47Å |
| 174 | I | 93.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.2 | 168.6 | -52.4 | 172.8 | 0 | 0 | 0 | 107.5 | R176 S207 K208 V223 C226 L228 A249 D252 | I174-R176 HydrophobicContact CB-CG 4.24Å; I174-R176 HydrophobicContact CG2-CG 3.68Å; I174-S207 CarbonylContact O-C 3.44Å; I174-S207 VanDerWaalsContact O-CA 3.22Å; I174-S207 WeakPolarHBondContact O-CA 3.48Å; I174-S207 WeakPolarHBondContact O-CB 3.48Å; I174-K208 PolarHBondContact N-O 3.41Å; I174-K208 PolarHBondContact O-N 3.37Å; I174-V223 HydrophobicContact CD1-CB 4.05Å; I174-V223 HydrophobicContact CD1-CG1 4.4Å; I174-V223 HydrophobicContact CG1-CB 3.83Å; I174-V223 HydrophobicContact CG1-CG1 3.89Å; I174-C226 HydrophobicContact CD1-CB 4.08Å; I174-L228 HydrophobicContact CD1-CD1 4.01Å; I174-L228 HydrophobicContact CG2-CD1 4.32Å; I174-A249 HydrophobicContact CD1-CB 4.18Å; I174-A249 HydrophobicContact CG1-CB 4.12Å; I174-D252 WeakPolarHBondContact CG2-OD2 3.23Å |
| 175 | H | 93.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -76.1 | -46.8 | -172.1 | -170 | -60.6 | 0 | 0 | 0 | 112.7 | D177 L178 V201 A202 D203 S207 D252 | H175-D177 PolarHBondContact CE1-O 3.18Å; H175-D177 PolarHBondContact ND1-N 3.33Å; H175-D177 PolarHBondContact O-N 2.91Å; H175-L178 HydrophobicContact CB-CD1 4.45Å; H175-L178 HydrophobicContact CB-CD2 4.01Å; H175-L178 HydrophobicContact CB-CG 3.88Å; H175-V201 WeakPolarHBondContact CD2-CG1 2.87Å; H175-V201 WeakPolarHBondContact NE2-CG1 3.27Å; H175-A202 PolarHBondContact CE1-O 2.5Å; H175-A202 PolarHBondContact NE2-O 2.85Å; H175-D203 PolarHBondContact CE1-O 2.68Å; H175-S207 WeakPolarHBondContact O-CA 3.24Å; H175-S207 PolarHBondContact O-N 3.16Å; H175-S207 PolarHBondContact O-OG 3.36Å; H175-D252 PolarHBondContact N-OD2 3.15Å | ||
| 176 | R | 91.5 | Very high | 94.3 | Very high | 17 Ų | 17 | 25.8 Ų | 25.8 | 6% | 0.064 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 69.3 | 2 | 174.5 | -53.3 | 171.3 | 57.8 | -157.8 | 10.8 | 117.2 | I174 L206 L228 T230 C232 Y247 D252 | I174-R176 HydrophobicContact CB-CG 4.24Å; I174-R176 HydrophobicContact CG2-CG 3.68Å; R176-L206 VanDerWaalsContact CD-O 3.27Å; R176-L206 WeakPolarHBondContact CD-O 3.18Å; R176-L206 PolarHBondContact NH1-O 2.96Å; R176-L228 HydrophobicContact CG-CD1 4.08Å; R176-T230 PolarHBondContact NH2-O 2.98Å; R176-C232 PolarHBondContact NH2-SG 2.81Å; R176-Y247 HydrophobicContact CG-CE2 4.23Å; R176-Y247 PolarHBondContact NE-OH 2.64Å; R176-Y247 PolarHBondContact NH2-OH 2.8Å; R176-D252 PolarHBondContact N-OD1 3.07Å |
| 177 | D | 91.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 9% | 0.086 | 13% | 0.133 | C | C | . | . | trans | -151.9 | 46.8 | 175.1 | -166.5 | 40.3 | 0 | 0 | 0 | 110.3 | H175 K179 N182 L206 G233 T234 | H175-D177 PolarHBondContact CE1-O 3.18Å; H175-D177 PolarHBondContact ND1-N 3.33Å; H175-D177 PolarHBondContact O-N 2.91Å; D177-K179 PolarHBondContact O-N 2.99Å; D177-K179 IonicContact OD1-NZ 3.12Å; D177-K179 VanDerWaalsContact OD2-CE 3.32Å; D177-K179 WeakPolarHBondContact OD2-CE 3.45Å; D177-K179 IonicContact OD2-NZ 2.73Å; D177-K179 PolarHBondContact OD2-NZ 3.16Å; D177-N182 PolarHBondContact O-ND2 3.3Å; D177-N182 PolarHBondContact OD2-ND2 3.45Å; D177-L206 HydrophobicContact CB-CB 4.35Å; D177-L206 HydrophobicContact CB-CD1 3.83Å; D177-G233 WeakPolarHBondContact OD1-CA 3.33Å; D177-T234 PolarHBondContact OD1-N 3.13Å; D177-T234 VanDerWaalsContact OD1-N 3.13Å; D177-T234 PolarHBondContact OD1-OG1 2.74Å | ||
| 178 | L | 95.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | trans | -70.6 | 118.2 | 173.3 | -72.2 | 175.6 | 0 | 0 | 0 | 109.3 | L165 H175 V201 D252 A255 L256 I259 | L165-L178 HydrophobicContact CD1-CD1 4.04Å; H175-L178 HydrophobicContact CB-CD1 4.45Å; H175-L178 HydrophobicContact CB-CD2 4.01Å; H175-L178 HydrophobicContact CB-CG 3.88Å; L178-V201 HydrophobicContact CD2-CG1 3.82Å; L178-D252 HydrophobicContact CD1-CB 3.71Å; L178-A255 HydrophobicContact CB-CB 3.92Å; L178-L256 HydrophobicContact CD1-CD2 4.09Å; L178-L256 HydrophobicContact CD1-CG 4.05Å; L178-I259 HydrophobicContact CB-CD1 4.37Å | ||
| 179 | K | 94.5 | Very high | 90.7 | Very high | 37 Ų | 37 | 35.8 Ų | 35.8 | 16% | 0.161 | 18% | 0.184 | C | C | . | . | trans | -150.9 | 159.7 | 173.4 | 58.6 | 179.6 | 164.8 | -166.4 | 0 | 109.8 | D177 D181 N182 T234 Y237 | D177-K179 PolarHBondContact O-N 2.99Å; D177-K179 IonicContact OD1-NZ 3.12Å; D177-K179 VanDerWaalsContact OD2-CE 3.32Å; D177-K179 WeakPolarHBondContact OD2-CE 3.45Å; D177-K179 IonicContact OD2-NZ 2.73Å; D177-K179 PolarHBondContact OD2-NZ 3.16Å; K179-D181 HydrophobicContact CD-CB 4.13Å; K179-D181 HydrophobicContact CG-CB 4.18Å; K179-D181 PolarHBondContact O-N 3.23Å; K179-N182 VanDerWaalsContact CE-ND2 3.3Å; K179-N182 WeakPolarHBondContact CE-ND2 3.3Å; K179-N182 WeakPolarHBondContact CE-OD1 3.4Å; K179-N182 HydrophobicContact CG-CB 4Å; K179-N182 PolarHBondContact O-N 3.15Å; K179-T234 HydrophobicContact CD-CG2 4.44Å; K179-T234 WeakPolarHBondContact CD-OG1 3.39Å; K179-T234 PolarHBondContact NZ-OG1 3.15Å; K179-Y237 HydrophobicContact CB-CD1 4.35Å; K179-Y237 HydrophobicContact CB-CD2 3.74Å; K179-Y237 HydrophobicContact CB-CE1 4.28Å; K179-Y237 HydrophobicContact CB-CE2 3.65Å; K179-Y237 HydrophobicContact CB-CG 4.08Å | ||
| 180 | P | 96 | Very high | 88.8 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -53.4 | -33.9 | 177.3 | -29.6 | 40.2 | 0 | 0 | 0 | 114.1 | M140 N141 N182 I183 Y237 I259 L279 | M140-P180 HydrophobicContact CB-CB 4.44Å; M140-P180 WeakPolarHBondContact CB-O 3.17Å; M140-P180 PolarHBondContact N-O 3.49Å; N141-P180 HydrophobicContact CB-CB 3.76Å; P180-N182 VanDerWaalsContact C-N 3.28Å; P180-N182 PolarHBondContact O-N 3.39Å; P180-I183 PolarHBondContact O-N 3.38Å; P180-Y237 VanDerWaalsContact CD-CZ 3.42Å; P180-Y237 VanDerWaalsContact CD-OH 3.3Å; P180-Y237 WeakPolarHBondContact CD-OH 3.41Å; P180-Y237 HydrophobicContact CG-CE1 4.04Å; P180-I259 HydrophobicContact CG-CG1 4.17Å; P180-L279 HydrophobicContact CG-CB 4.08Å |
| 181 | D | 92.8 | Very high | 86.7 | Confident | 42 Ų | 42 | 34.1 Ų | 34.1 | 23% | 0.225 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -65.4 | -28.4 | 176.3 | -56.1 | -103 | 0 | 0 | 0 | 113.6 | K179 I183 | K179-D181 HydrophobicContact CD-CB 4.13Å; K179-D181 HydrophobicContact CG-CB 4.18Å; K179-D181 PolarHBondContact O-N 3.23Å; D181-I183 VanDerWaalsContact C-N 3.33Å |
| 182 | N | 95.3 | Very high | 85 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -92.9 | 8 | 179.7 | -71.5 | -4.2 | 0 | 0 | 0 | 112.4 | D177 K179 P180 A202 D203 | D177-N182 PolarHBondContact O-ND2 3.3Å; D177-N182 PolarHBondContact OD2-ND2 3.45Å; K179-N182 VanDerWaalsContact CE-ND2 3.3Å; K179-N182 WeakPolarHBondContact CE-ND2 3.3Å; K179-N182 WeakPolarHBondContact CE-OD1 3.4Å; K179-N182 HydrophobicContact CG-CB 4Å; K179-N182 PolarHBondContact O-N 3.15Å; P180-N182 VanDerWaalsContact C-N 3.28Å; P180-N182 PolarHBondContact O-N 3.39Å; N182-A202 PolarHBondContact O-N 3.11Å; N182-D203 HydrophobicContact CB-CB 4.39Å |
| 183 | I | 97.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 109.1 | 176.9 | -62.3 | 159.7 | 0 | 0 | 0 | 107.5 | D139 M140 L161 P180 D181 L199 I259 | D139-I183 CarbonylContact C-O 3.6Å; D139-I183 WeakPolarHBondContact CA-O 3.28Å; M140-I183 HydrophobicContact CB-CB 3.83Å; M140-I183 HydrophobicContact CB-CG2 3.88Å; M140-I183 WeakPolarHBondContact CB-O 3.33Å; M140-I183 HydrophobicContact CG-CG2 4.43Å; M140-I183 PolarHBondContact N-O 3.3Å; M140-I183 HydrophobicContact SD-CB 4.08Å; M140-I183 HydrophobicContact SD-CD1 3.69Å; M140-I183 HydrophobicContact SD-CG1 4.5Å; M140-I183 HydrophobicContact SD-CG2 3.82Å; L161-I183 HydrophobicContact CD1-CD1 4.14Å; L161-I183 HydrophobicContact CD2-CD1 3.58Å; L161-I183 HydrophobicContact CD2-CG1 3.96Å; L161-I183 HydrophobicContact CD2-CG2 4.18Å; P180-I183 PolarHBondContact O-N 3.38Å; D181-I183 VanDerWaalsContact C-N 3.33Å; I183-L199 HydrophobicContact CG2-CB 3.86Å; I183-L199 HydrophobicContact CG2-CD1 4.15Å; I183-L199 HydrophobicContact CG2-CD2 4.33Å; I183-L199 HydrophobicContact CG2-CG 4.34Å; I183-I259 HydrophobicContact CD1-CD1 4.09Å |
| 184 | L | 97.1 | Very high | 81.5 | Confident | 49 Ų | 49 | 41.5 Ų | 41.5 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 149.8 | -176.2 | -57.6 | -179.1 | 0 | 0 | 0 | 111.5 | I81 C135 D139 L199 K200 A202 | I81-L184 HydrophobicContact CD1-CD1 4.27Å; C135-L184 HydrophobicContact CB-CB 3.65Å; C135-L184 HydrophobicContact CB-CD1 4.23Å; D139-L184 HydrophobicContact CB-CD2 4.4Å; L184-L199 CarbonylContact O-C 3.51Å; L184-L199 WeakPolarHBondContact O-CA 3.28Å; L184-K200 PolarHBondContact N-O 3.29Å; L184-K200 PolarHBondContact O-N 3.35Å; L184-A202 HydrophobicContact CD1-CB 3.74Å; L184-A202 HydrophobicContact CG-CB 3.86Å |
| 185 | I | 96.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.8 | -179.8 | -53.5 | -56.8 | 0 | 0 | 0 | 110.1 | C135 D136 G137 G138 M140 Y143 F157 Q187 P197 L199 | C135-I185 CarbonylContact C-O 3.52Å; C135-I185 WeakPolarHBondContact CB-O 3.43Å; D136-I185 PolarHBondContact N-O 3.19Å; G137-I185 WeakPolarHBondContact CA-O 3.3Å; G137-I185 PolarHBondContact N-O 2.8Å; G138-I185 PolarHBondContact O-N 3.47Å; M140-I185 HydrophobicContact CB-CD1 4.26Å; Y143-I185 HydrophobicContact CD1-CG1 4.38Å; Y143-I185 HydrophobicContact CD2-CB 4.08Å; Y143-I185 HydrophobicContact CD2-CG1 4.04Å; Y143-I185 HydrophobicContact CD2-CG2 3.72Å; Y143-I185 HydrophobicContact CE2-CG2 3.77Å; Y143-I185 HydrophobicContact CG-CB 4.39Å; Y143-I185 HydrophobicContact CG-CG1 3.82Å; Y143-I185 HydrophobicContact CG-CG2 4.26Å; F157-I185 HydrophobicContact CE1-CD1 4.38Å; F157-I185 HydrophobicContact CE2-CD1 3.97Å; F157-I185 HydrophobicContact CZ-CD1 3.67Å; I185-Q187 HydrophobicContact CG2-CG 4.32Å; I185-P197 HydrophobicContact CG2-CB 3.68Å; I185-L199 HydrophobicContact CD1-CB 3.77Å |
| 186 | S | 93.6 | Very high | 79.8 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.6 | 166.7 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | D136 P197 T198 | D136-S186 WeakPolarHBondContact OD1-CA 3.47Å; S186-P197 WeakPolarHBondContact O-CA 3.49Å; S186-T198 PolarHBondContact N-O 3.45Å; S186-T198 PolarHBondContact O-N 3.39Å |
| 187 | Q | 86.7 | Confident | 79.8 | Confident | 85 Ų | 85 | 50.2 Ų | 50.2 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | trans | -98.2 | 11.3 | 177.4 | -58 | -166 | -93.9 | 0 | 0 | 112.4 | D136 Y143 I185 C189 | D136-Q187 PolarHBondContact OD1-N 3.27Å; Y143-Q187 HydrophobicContact CE2-CG 4.46Å; I185-Q187 HydrophobicContact CG2-CG 4.32Å; Q187-C189 PolarHBondContact O-N 3.2Å | ||
| 188 | A | 70.8 | Confident | 80 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 127.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T190 | A188-T190 PolarHBondContact O-N 2.66Š|
| 189 | C | 56.9 | Low | 80 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 72% | 0.716 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 119.7 | 170.9 | -64.9 | 0 | 0 | 0 | 0 | 108.7 | Q187 | Q187-C189 PolarHBondContact O-N 3.2Š|
| 190 | T | 56.1 | Low | 80.1 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 26% | 0.264 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 153.5 | 170.8 | 57.2 | 0 | 0 | 0 | 0 | 109.6 | A188 T192 G193 S194 | A188-T190 PolarHBondContact O-N 2.66Å; T190-T192 PolarHBondContact O-N 3.41Å; T190-T192 PolarHBondContact OG1-OG1 2.95Å; T190-G193 PolarHBondContact O-N 2.93Å; T190-S194 PolarHBondContact OG1-N 2.68Å; T190-S194 VanDerWaalsContact OG1-N 3.17Å; T190-S194 PolarHBondContact OG1-O 3.04Å; T190-S194 PolarHBondContact OG1-OG 3.38Å |
| 191 | P | 47.4 | Very low | 80.2 | Confident | 145 Ų | 145 | 50.9 Ų | 50.9 | 94% | 0.942 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -19.4 | 173.4 | -22.8 | 32 | 0 | 0 | 0 | 113.4 | G193 | P191-G193 VanDerWaalsContact C-N 3.29Š|
| 192 | T | 55.4 | Low | 80.3 | Confident | 123 Ų | 123 | 49.3 Ų | 49.3 | 76% | 0.755 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 1 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | T190 S194 | T190-T192 PolarHBondContact O-N 3.41Å; T190-T192 PolarHBondContact OG1-OG1 2.95Å; T192-S194 VanDerWaalsContact C-N 3.27Å; T192-S194 PolarHBondContact O-N 3.04Å |
| 193 | G | 52.7 | Low | 80 | Confident | 65 Ų | 65 | 50.7 Ų | 50.7 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | trans | 74.9 | 10.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T190 P191 S195 | T190-G193 PolarHBondContact O-N 2.93Å; P191-G193 VanDerWaalsContact C-N 3.29Å; G193-S195 PolarHBondContact O-N 3.48Å | ||
| 194 | S | 56.3 | Low | 79.6 | Confident | 49 Ų | 49 | 50.7 Ų | 50.7 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | trans | -76.3 | 118.7 | 176.2 | 69.3 | 0 | 0 | 0 | 0 | 110 | T190 T192 E196 | T190-S194 PolarHBondContact OG1-N 2.68Å; T190-S194 VanDerWaalsContact OG1-N 3.17Å; T190-S194 PolarHBondContact OG1-O 3.04Å; T190-S194 PolarHBondContact OG1-OG 3.38Å; T192-S194 VanDerWaalsContact C-N 3.27Å; T192-S194 PolarHBondContact O-N 3.04Å; S194-E196 PolarHBondContact O-N 3.39Å | ||
| 195 | S | 70.3 | Confident | 78.6 | Confident | 109 Ų | 109 | 48.4 Ų | 48.4 | 76% | 0.762 | 32% | 0.315 | S | S | * | . | trans | -80.2 | 16.2 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 113.5 | G193 | G193-S195 PolarHBondContact O-N 3.48Š| ||
| 196 | E | 81.3 | Confident | 77.8 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 132.5 | -176.4 | -72.4 | -170.9 | -163.5 | 0 | 0 | 111.6 | K152 S194 | K152-E196 WeakPolarHBondContact CE-OE1 3.49Å; K152-E196 IonicContact NZ-OE1 2.63Å; K152-E196 PolarHBondContact NZ-OE1 2.96Å; S194-E196 PolarHBondContact O-N 3.39Å |
| 197 | P | 92.3 | Very high | 77.2 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 137.2 | 177.8 | 28.6 | -36.7 | 0 | 0 | 0 | 111 | Y143 F157 Q160 I185 S186 | Y143-P197 HydrophobicContact CE1-CG 4.33Å; Y143-P197 HydrophobicContact CE2-CB 4.47Å; Y143-P197 WeakPolarHBondContact OH-CG 3.21Å; F157-P197 HydrophobicContact CE1-CB 4.15Å; F157-P197 HydrophobicContact CE1-CG 3.72Å; F157-P197 HydrophobicContact CZ-CB 4.23Å; F157-P197 HydrophobicContact CZ-CG 3.89Å; Q160-P197 PolarHBondContact NE2-O 2.92Å; I185-P197 HydrophobicContact CG2-CB 3.68Å; S186-P197 WeakPolarHBondContact O-CA 3.49Å |
| 198 | T | 94.3 | Very high | 77.1 | Confident | 43 Ų | 43 | 49.2 Ų | 49.2 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.1 | 170.2 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | S186 | S186-T198 PolarHBondContact N-O 3.45Å; S186-T198 PolarHBondContact O-N 3.39Å |
| 199 | L | 96.4 | Very high | 77.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 152.2 | 172 | 67.2 | 82.2 | 0 | 0 | 0 | 111.4 | N79 F157 Q160 L161 I183 L184 I185 | N79-L199 VanDerWaalsContact CA-O 3.24Å; N79-L199 WeakPolarHBondContact CA-O 3.49Å; N79-L199 HydrophobicContact CB-CD1 4.15Å; N79-L199 PolarHBondContact ND2-O 3.5Å; F157-L199 HydrophobicContact CB-CD2 3.73Å; F157-L199 HydrophobicContact CD1-CD2 3.8Å; F157-L199 HydrophobicContact CD2-CD2 4.43Å; F157-L199 HydrophobicContact CE1-CD2 4.46Å; F157-L199 HydrophobicContact CG-CD2 3.76Å; F157-L199 WeakPolarHBondContact O-CD2 3.44Å; Q160-L199 HydrophobicContact CB-CD1 3.83Å; Q160-L199 HydrophobicContact CB-CD2 3.79Å; Q160-L199 HydrophobicContact CB-CG 3.61Å; Q160-L199 HydrophobicContact CG-CG 4.45Å; L161-L199 HydrophobicContact CD1-CD2 4.26Å; L161-L199 HydrophobicContact CD2-CD1 3.76Å; L161-L199 HydrophobicContact CD2-CD2 4.29Å; L161-L199 HydrophobicContact CG-CD1 3.95Å; L161-L199 HydrophobicContact CG-CD2 3.77Å; I183-L199 HydrophobicContact CG2-CB 3.86Å; I183-L199 HydrophobicContact CG2-CD1 4.15Å; I183-L199 HydrophobicContact CG2-CD2 4.33Å; I183-L199 HydrophobicContact CG2-CG 4.34Å; L184-L199 CarbonylContact O-C 3.51Å; L184-L199 WeakPolarHBondContact O-CA 3.28Å; I185-L199 HydrophobicContact CD1-CB 3.77Å |
| 200 | K | 97.3 | Very high | 78.4 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 121.4 | 175.1 | -75.5 | 170.9 | 176 | -90.7 | 0 | 109.6 | P78 N79 I81 D133 L184 | P78-K200 WeakPolarHBondContact O-CG 3.35Å; N79-K200 WeakPolarHBondContact O-CA 3.48Å; I81-K200 HydrophobicContact CD1-CB 4.39Å; I81-K200 HydrophobicContact CD1-CD 4.21Å; D133-K200 IonicContact OD2-NZ 3.49Å; D133-K200 PolarHBondContact OD2-NZ 3.39Å; L184-K200 PolarHBondContact N-O 3.29Å; L184-K200 PolarHBondContact O-N 3.35Å |
| 201 | V | 97.8 | Very high | 78.7 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 129.7 | 171.2 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | N79 I81 L161 A164 L168 H175 L178 F204 | N79-V201 PolarHBondContact O-N 3.25Å; I81-V201 WeakPolarHBondContact CB-O 3.39Å; I81-V201 PolarHBondContact N-O 3.4Å; L161-V201 HydrophobicContact CD2-CG2 3.98Å; A164-V201 HydrophobicContact CB-CG2 3.71Å; L168-V201 HydrophobicContact CD1-CG1 4.19Å; H175-V201 WeakPolarHBondContact CD2-CG1 2.87Å; H175-V201 WeakPolarHBondContact NE2-CG1 3.27Å; L178-V201 HydrophobicContact CD2-CG1 3.82Å; V201-F204 HydrophobicContact CG1-CZ 4.39Å |
| 202 | A | 94.9 | Very high | 78.9 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | trans | -136.4 | 174.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I81 H175 N182 L184 | I81-A202 HydrophobicContact CB-CB 4.14Å; I81-A202 HydrophobicContact CG2-CB 4.2Å; H175-A202 PolarHBondContact CE1-O 2.5Å; H175-A202 PolarHBondContact NE2-O 2.85Å; N182-A202 PolarHBondContact O-N 3.11Å; L184-A202 HydrophobicContact CD1-CB 3.74Å; L184-A202 HydrophobicContact CG-CB 3.86Å | ||
| 203 | D | 89.7 | Confident | 78.4 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 23% | 0.225 | 27% | 0.272 | C | S | . | . | trans | 64.2 | 84.2 | -178.8 | -155.9 | -5.5 | 0 | 0 | 0 | 115.4 | K50 H175 N182 G205 | K50-D203 IonicContact NZ-OD1 3.56Å; K50-D203 PolarHBondContact NZ-OD1 3.24Å; K50-D203 IonicContact NZ-OD2 2.75Å; H175-D203 PolarHBondContact CE1-O 2.68Å; N182-D203 HydrophobicContact CB-CB 4.39Å; D203-G205 PolarHBondContact OD1-N 2.86Å | ||
| 204 | F | 87.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -95.5 | 14 | -178.1 | -68.5 | -99.4 | 0 | 0 | 0 | 113.2 | E66 A69 L70 V80 I81 L168 I173 V201 L206 S207 | E66-F204 HydrophobicContact CG-CB 4.25Å; A69-F204 HydrophobicContact CB-CB 3.9Å; A69-F204 HydrophobicContact CB-CD1 4.1Å; A69-F204 HydrophobicContact CB-CG 4.35Å; L70-F204 HydrophobicContact CD1-CD2 4.48Å; L70-F204 HydrophobicContact CD2-CD2 3.54Å; L70-F204 HydrophobicContact CD2-CE2 3.78Å; L70-F204 HydrophobicContact CD2-CG 4.05Å; L70-F204 HydrophobicContact CD2-CZ 4.45Å; L70-F204 HydrophobicContact CG-CB 4.31Å; L70-F204 HydrophobicContact CG-CD2 4.03Å; L70-F204 HydrophobicContact CG-CG 4.2Å; V80-F204 HydrophobicContact CG1-CE2 4.32Å; V80-F204 HydrophobicContact CG1-CZ 3.81Å; I81-F204 HydrophobicContact CG2-CD2 4.28Å; I81-F204 HydrophobicContact CG2-CE2 3.8Å; L168-F204 HydrophobicContact CD1-CE1 4.02Å; L168-F204 HydrophobicContact CD1-CZ 4.19Å; L168-F204 HydrophobicContact CD2-CE1 3.62Å; L168-F204 HydrophobicContact CD2-CZ 3.93Å; L168-F204 HydrophobicContact CG-CE1 4.49Å; I173-F204 HydrophobicContact CG2-CD1 4.17Å; I173-F204 HydrophobicContact CG2-CE1 4.18Å; V201-F204 HydrophobicContact CG1-CZ 4.39Å; F204-L206 PolarHBondContact O-N 2.91Å; F204-S207 VanDerWaalsContact CA-OG 3.3Å; F204-S207 WeakPolarHBondContact CA-OG 3.41Å; F204-S207 VanDerWaalsContact CD1-OG 3.28Å; F204-S207 WeakPolarHBondContact CD1-OG 3.31Å; F204-S207 VanDerWaalsContact O-CB 3.29Å; F204-S207 WeakPolarHBondContact O-CB 3.44Å; F204-S207 PolarHBondContact O-N 2.96Å; F204-S207 PolarHBondContact O-OG 2.96Å | ||
| 205 | G | 76.9 | Confident | 77.3 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L62 D203 | L62-G205 VanDerWaalsContact CD2-O 3.24Å; L62-G205 WeakPolarHBondContact CD2-O 3.37Å; D203-G205 PolarHBondContact OD1-N 2.86Å |
| 206 | L | 79.4 | Confident | 76.1 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -4.3 | 176.5 | -63 | 179.6 | 0 | 0 | 0 | 113.4 | L62 R176 D177 F204 C232 | L62-L206 HydrophobicContact CD2-CD2 3.65Å; R176-L206 VanDerWaalsContact CD-O 3.27Å; R176-L206 WeakPolarHBondContact CD-O 3.18Å; R176-L206 PolarHBondContact NH1-O 2.96Å; D177-L206 HydrophobicContact CB-CB 4.35Å; D177-L206 HydrophobicContact CB-CD1 3.83Å; F204-L206 PolarHBondContact O-N 2.91Å; L206-C232 HydrophobicContact CD1-CB 4.34Å; L206-C232 HydrophobicContact CD2-CB 4.38Å |
| 207 | S | 81.9 | Confident | 74.6 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.028 | 31% | 0.308 | C | S | . | . | trans | -64 | 154.4 | -175.5 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | I174 H175 F204 | I174-S207 CarbonylContact O-C 3.44Å; I174-S207 VanDerWaalsContact O-CA 3.22Å; I174-S207 WeakPolarHBondContact O-CA 3.48Å; I174-S207 WeakPolarHBondContact O-CB 3.48Å; H175-S207 WeakPolarHBondContact O-CA 3.24Å; H175-S207 PolarHBondContact O-N 3.16Å; H175-S207 PolarHBondContact O-OG 3.36Å; F204-S207 VanDerWaalsContact CA-OG 3.3Å; F204-S207 WeakPolarHBondContact CA-OG 3.41Å; F204-S207 VanDerWaalsContact CD1-OG 3.28Å; F204-S207 WeakPolarHBondContact CD1-OG 3.31Å; F204-S207 VanDerWaalsContact O-CB 3.29Å; F204-S207 WeakPolarHBondContact O-CB 3.44Å; F204-S207 PolarHBondContact O-N 2.96Å; F204-S207 PolarHBondContact O-OG 2.96Å | ||
| 208 | K | 83.4 | Confident | 72.8 | Confident | 99 Ų | 99 | 56.9 Ų | 56.9 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.5 | 174.6 | -176 | 70.6 | 174.8 | -176.5 | 0 | 109.7 | I173 I174 L228 | I173-K208 WeakPolarHBondContact CA-O 3.32Å; I174-K208 PolarHBondContact N-O 3.41Å; I174-K208 PolarHBondContact O-N 3.37Å; K208-L228 HydrophobicContact CB-CD2 4.03Å; K208-L228 HydrophobicContact CD-CD2 4.43Å; K208-L228 HydrophobicContact CG-CD2 3.72Å |
| 209 | V | 78 | Confident | 70.8 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 26% | 0.261 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 120.5 | 163.9 | -173.5 | 0 | 0 | 0 | 0 | 108 | A69 I173 | A69-V209 HydrophobicContact CB-CG2 4.12Å; I173-V209 HydrophobicContact CG1-CG2 4.47Å |
| 210 | C | 77.9 | Confident | 68.7 | Low | 11 Ų | 11 | 64.7 Ų | 64.7 | 7% | 0.074 | 39% | 0.389 | C | S | . | . | trans | -86 | 113.6 | 175.5 | -81.3 | 0 | 0 | 0 | 0 | 110.3 | Q172 V223 C226 | Q172-C210 HydrophobicContact CB-CB 4.11Å; Q172-C210 WeakPolarHBondContact CB-O 3.37Å; Q172-C210 PolarHBondContact O-N 3.15Å; C210-V223 HydrophobicContact CB-CG1 4.16Å; C210-C226 HydrophobicContact CB-CB 4.45Å; C210-C226 WeakPolarHBondContact CB-SG 3.23Å; C210-C226 WeakPolarHBondContact SG-CB 3.39Å; C210-C226 CovalentContact SG-SG 2.04Å; C210-C226 PolarHBondContact SG-SG 3.4Å | ||
| 211 | S | 62.4 | Low | 66.8 | Low | 80 Ų | 80 | 65.1 Ų | 65.1 | 56% | 0.559 | 40% | 0.397 | S | S | * | . | trans | -93.3 | 153.8 | 167.7 | -63.6 | 0 | 0 | 0 | 0 | 110 | S213 | S211-S213 WeakPolarHBondContact CB-OG 3.37Å; S211-S213 PolarHBondContact O-N 3.01Å | ||
| 212 | A | 51.2 | Low | 65.5 | Low | 72 Ų | 72 | 66.7 Ų | 66.7 | 60% | 0.595 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -64.9 | 21.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A221 | A212-A221 HydrophobicContact CB-CB 3.88Š|
| 213 | S | 43.6 | Very low | 64.4 | Low | 103 Ų | 103 | 66.5 Ų | 66.5 | 72% | 0.72 | 41% | 0.407 | S | S | * | . | trans | -100 | 89.6 | -176.9 | 40.7 | 0 | 0 | 0 | 0 | 108.8 | S211 | S211-S213 WeakPolarHBondContact CB-OG 3.37Å; S211-S213 PolarHBondContact O-N 3.01Å | ||
| 214 | G | 43.5 | Very low | 63.3 | Low | 69 Ų | 69 | 67.3 Ų | 67.3 | 71% | 0.711 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 177.2 | -35.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 215 | L | 42.5 | Very low | 62 | Low | 116 Ų | 116 | 72.5 Ų | 72.5 | 61% | 0.607 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -145.7 | 112 | -176.3 | -68.7 | 168.5 | 0 | 0 | 0 | 109.1 | ||
| 216 | N | 45.4 | Very low | 61.3 | Low | 119 Ų | 119 | 73.7 Ų | 73.7 | 64% | 0.636 | 44% | 0.441 | S | S | * | . | trans | 49.5 | 117.9 | 174.5 | -64.8 | -21.6 | 0 | 0 | 0 | 116.8 | E218 E219 | N216-E218 PolarHBondContact O-N 3.44Å; N216-E219 PolarHBondContact O-N 3.02Å | ||
| 217 | P | 49.8 | Very low | 60.6 | Low | 143 Ų | 143 | 79.9 Ų | 79.9 | 93% | 0.929 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -12.3 | 175.7 | -23.8 | 32.3 | 0 | 0 | 0 | 115.8 | ||
| 218 | E | 54.5 | Low | 59.9 | Low | 190 Ų | 190 | 80.2 Ų | 80.2 | 89% | 0.888 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -8.1 | -178.6 | -56.1 | -146.2 | 151 | 0 | 0 | 114.1 | N216 | N216-E218 PolarHBondContact O-N 3.44Š|
| 219 | E | 52.1 | Low | 58.6 | Low | 94 Ų | 94 | 80.2 Ų | 80.2 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -98.2 | 130.2 | 173.3 | -70.3 | -151 | 158.6 | 0 | 0 | 111.5 | N216 A221 K225 | N216-E219 PolarHBondContact O-N 3.02Å; E219-A221 PolarHBondContact O-N 3.42Å; E219-K225 IonicContact OE1-NZ 2.87Å; E219-K225 IonicContact OE2-NZ 3.39Å; E219-K225 PolarHBondContact OE2-NZ 2.87Å |
| 220 | P | 53.8 | Low | 58 | Low | 113 Ų | 113 | 81.5 Ų | 81.5 | 73% | 0.734 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 138.4 | 175.2 | 25.1 | -31.5 | 0 | 0 | 0 | 110.4 | S222 | P220-S222 PolarHBondContact O-N 3.09Š|
| 221 | A | 57.5 | Low | 57.1 | Low | 36 Ų | 36 | 84 Ų | 84 | 30% | 0.298 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 132.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q172 A212 E219 | Q172-A221 PolarHBondContact OE1-O 2.96Å; A212-A221 HydrophobicContact CB-CB 3.88Å; E219-A221 PolarHBondContact O-N 3.42Å |
| 222 | S | 68.6 | Low | 57.2 | Low | 37 Ų | 37 | 81.4 Ų | 81.4 | 26% | 0.259 | 49% | 0.493 | S | S | . | . | trans | -138.2 | 125.4 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | Q172 P220 N224 K225 C226 | Q172-S222 VanDerWaalsContact OE1-CA 3.24Å; P220-S222 PolarHBondContact O-N 3.09Å; S222-N224 PolarHBondContact O-N 3.41Å; S222-N224 VanDerWaalsContact O-N 3.1Å; S222-N224 PolarHBondContact OG-N 2.87Å; S222-K225 PolarHBondContact O-N 3.42Å; S222-C226 PolarHBondContact O-N 3.48Å | ||
| 223 | V | 71.8 | Confident | 58.1 | Low | 4 Ų | 4 | 79 Ų | 79 | 2% | 0.024 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -55.4 | -26.3 | 173.4 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | H169 Q172 I174 C210 K225 C226 A249 | H169-V223 HydrophobicContact CB-CG2 3.86Å; Q172-V223 VanDerWaalsContact C-CG1 3.5Å; Q172-V223 VanDerWaalsContact CA-CG1 3.42Å; Q172-V223 HydrophobicContact CB-CG1 4.16Å; I174-V223 HydrophobicContact CD1-CB 4.05Å; I174-V223 HydrophobicContact CD1-CG1 4.4Å; I174-V223 HydrophobicContact CG1-CB 3.83Å; I174-V223 HydrophobicContact CG1-CG1 3.89Å; C210-V223 HydrophobicContact CB-CG1 4.16Å; V223-K225 PolarHBondContact O-N 2.73Å; V223-C226 PolarHBondContact O-N 2.83Å; V223-A249 HydrophobicContact CB-CB 3.79Å; V223-A249 HydrophobicContact CG2-CB 3.69Å; V223-A249 PolarHBondContact O-N 2.85Å |
| 224 | N | 67.5 | Low | 59.9 | Low | 60 Ų | 60 | 75.9 Ų | 75.9 | 32% | 0.321 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -70.7 | -17.4 | 176.3 | -67.5 | -38.3 | 0 | 0 | 0 | 113 | S222 | S222-N224 PolarHBondContact O-N 3.41Å; S222-N224 VanDerWaalsContact O-N 3.1Å; S222-N224 PolarHBondContact OG-N 2.87Å |
| 225 | K | 61.5 | Low | 61.9 | Low | 109 Ų | 109 | 76.3 Ų | 76.3 | 47% | 0.474 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -108.4 | -2 | 176.5 | -62.2 | -177.9 | 176.5 | 177 | 0 | 112.7 | E219 S222 V223 F227 | E219-K225 IonicContact OE1-NZ 2.87Å; E219-K225 IonicContact OE2-NZ 3.39Å; E219-K225 PolarHBondContact OE2-NZ 2.87Å; S222-K225 PolarHBondContact O-N 3.42Å; V223-K225 PolarHBondContact O-N 2.73Å; K225-F227 PolarHBondContact O-N 2.92Å |
| 226 | C | 60.9 | Low | 64.3 | Low | 26 Ų | 26 | 72.1 Ų | 72.1 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | trans | -77.3 | 112.3 | 176.2 | -72.7 | 0 | 0 | 0 | 0 | 110.6 | I174 C210 S222 V223 | I174-C226 HydrophobicContact CD1-CB 4.08Å; C210-C226 HydrophobicContact CB-CB 4.45Å; C210-C226 WeakPolarHBondContact CB-SG 3.23Å; C210-C226 WeakPolarHBondContact SG-CB 3.39Å; C210-C226 CovalentContact SG-SG 2.04Å; C210-C226 PolarHBondContact SG-SG 3.4Å; S222-C226 PolarHBondContact O-N 3.48Å; V223-C226 PolarHBondContact O-N 2.83Å | ||
| 227 | F | 64.9 | Low | 66.6 | Low | 150 Ų | 150 | 66.8 Ų | 66.8 | 66% | 0.658 | 39% | 0.386 | S | S | * | . | trans | -82.8 | 134.8 | 170.2 | -67.8 | -82 | 0 | 0 | 0 | 110.9 | K225 | K225-F227 PolarHBondContact O-N 2.92Š| ||
| 228 | L | 67.8 | Low | 68.6 | Low | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -116.3 | 131.5 | 179 | -58.6 | 172.7 | 0 | 0 | 0 | 109.6 | I174 R176 K208 G245 H246 Y247 | I174-L228 HydrophobicContact CD1-CD1 4.01Å; I174-L228 HydrophobicContact CG2-CD1 4.32Å; R176-L228 HydrophobicContact CG-CD1 4.08Å; K208-L228 HydrophobicContact CB-CD2 4.03Å; K208-L228 HydrophobicContact CD-CD2 4.43Å; K208-L228 HydrophobicContact CG-CD2 3.72Å; L228-G245 CarbonylContact O-C 3.55Å; L228-H246 WeakPolarHBondContact O-CA 3.45Å; L228-Y247 HydrophobicContact CB-CD1 4.02Å; L228-Y247 HydrophobicContact CB-CD2 4.08Å; L228-Y247 HydrophobicContact CB-CE1 3.75Å; L228-Y247 HydrophobicContact CB-CE2 3.84Å; L228-Y247 HydrophobicContact CB-CG 4.17Å; L228-Y247 HydrophobicContact CD1-CD2 3.59Å; L228-Y247 HydrophobicContact CD1-CE2 3.21Å; L228-Y247 HydrophobicContact CD1-CG 4.46Å; L228-Y247 HydrophobicContact CG-CD2 4.37Å; L228-Y247 HydrophobicContact CG-CE2 4.14Å; L228-Y247 PolarHBondContact N-O 3.22Å; L228-Y247 PolarHBondContact O-N 3.31Å |
| 229 | S | 55.4 | Low | 70.5 | Confident | 100 Ų | 100 | 52 Ų | 52 | 70% | 0.699 | 31% | 0.305 | S | S | * | . | trans | -103.3 | -8.6 | -173.6 | 56.2 | 0 | 0 | 0 | 0 | 115.8 | G245 | S229-G245 WeakPolarHBondContact CA-O 3.37Š| ||
| 230 | T | 64.7 | Low | 72.4 | Confident | 69 Ų | 69 | 47.8 Ų | 47.8 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | trans | -104.8 | 114.6 | -177 | -45.3 | 0 | 0 | 0 | 0 | 110.1 | R176 C232 Y247 | R176-T230 PolarHBondContact NH2-O 2.98Å; T230-C232 PolarHBondContact O-N 3.35Å; T230-Y247 VanDerWaalsContact O-CE1 3.31Å; T230-Y247 WeakPolarHBondContact O-CE1 3.41Å; T230-Y247 PolarHBondContact O-OH 2.9Å | ||
| 231 | A | 59.6 | Low | 74.1 | Confident | 65 Ų | 65 | 43 Ų | 43 | 54% | 0.537 | 25% | 0.253 | S | S | . | . | trans | -63.8 | 118.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 232 | C | 64.2 | Low | 75.4 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | trans | -158.5 | 156.8 | 177.2 | 65.4 | 0 | 0 | 0 | 0 | 109.2 | R176 L206 T230 Y247 | R176-C232 PolarHBondContact NH2-SG 2.81Å; L206-C232 HydrophobicContact CD1-CB 4.34Å; L206-C232 HydrophobicContact CD2-CB 4.38Å; T230-C232 PolarHBondContact O-N 3.35Å; C232-Y247 PolarHBondContact SG-OH 3.01Å | ||
| 233 | G | 70.2 | Confident | 76 | Confident | 23 Ų | 23 | 44.5 Ų | 44.5 | 24% | 0.237 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 125 | 174.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110 | D177 | D177-G233 WeakPolarHBondContact OD1-CA 3.33Š|
| 234 | T | 81.8 | Confident | 76.3 | Confident | 37 Ų | 37 | 50.2 Ų | 50.2 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | trans | -93.1 | 122.2 | 179 | -51.5 | 0 | 0 | 0 | 0 | 109.7 | D177 K179 F236 Y237 M238 | D177-T234 PolarHBondContact OD1-N 3.13Å; D177-T234 VanDerWaalsContact OD1-N 3.13Å; D177-T234 PolarHBondContact OD1-OG1 2.74Å; K179-T234 HydrophobicContact CD-CG2 4.44Å; K179-T234 WeakPolarHBondContact CD-OG1 3.39Å; K179-T234 PolarHBondContact NZ-OG1 3.15Å; T234-F236 VanDerWaalsContact C-N 3.27Å; T234-F236 PolarHBondContact O-N 3.35Å; T234-Y237 HydrophobicContact CG2-CD2 4.01Å; T234-Y237 HydrophobicContact CG2-CE2 4.05Å; T234-Y237 PolarHBondContact O-N 3.48Å; T234-M238 PolarHBondContact O-N 2.91Å | ||
| 235 | D | 86.5 | Confident | 76.3 | Confident | 77 Ų | 77 | 48 Ų | 48 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -43 | -46.3 | -167 | -62.4 | 1.3 | 0 | 0 | 0 | 114.9 | Y237 M238 W243 P291 | D235-Y237 PolarHBondContact O-N 3.22Å; D235-Y237 VanDerWaalsContact O-N 3.09Å; D235-M238 VanDerWaalsContact CA-CE 3.45Å; D235-M238 HydrophobicContact CB-CE 4.11Å; D235-M238 PolarHBondContact O-N 3.43Å; D235-M238 WeakPolarHBondContact OD1-CE 3.48Å; D235-W243 HydrophobicContact CB-CZ2 4.37Å; D235-P291 HydrophobicContact CB-CG 4.01Å |
| 236 | F | 91.9 | Very high | 76.5 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 13% | 0.127 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -66.7 | -10.1 | -177.4 | -71.8 | -84.3 | 0 | 0 | 0 | 115.6 | T234 F269 I289 P291 | T234-F236 VanDerWaalsContact C-N 3.27Å; T234-F236 PolarHBondContact O-N 3.35Å; F236-F269 HydrophobicContact CB-CE1 3.9Å; F236-F269 HydrophobicContact CB-CZ 3.68Å; F236-F269 HydrophobicContact CD1-CD1 4.29Å; F236-F269 HydrophobicContact CD1-CD2 4.41Å; F236-F269 HydrophobicContact CD1-CE1 4.01Å; F236-F269 HydrophobicContact CD1-CE2 4.13Å; F236-F269 HydrophobicContact CD1-CG 4.48Å; F236-F269 AromaticContact CD1-CZ 3.92Å; F236-F269 HydrophobicContact CD1-CZ 3.92Å; F236-F269 HydrophobicContact CD2-CD2 4.32Å; F236-F269 HydrophobicContact CD2-CE1 4.28Å; F236-F269 AromaticContact CD2-CE2 3.42Å; F236-F269 HydrophobicContact CD2-CE2 3.42Å; F236-F269 VanDerWaalsContact CD2-CE2 3.42Å; F236-F269 AromaticContact CD2-CZ 3.39Å; F236-F269 HydrophobicContact CD2-CZ 3.39Å; F236-F269 HydrophobicContact CE1-CD2 4.17Å; F236-F269 HydrophobicContact CE1-CE2 4.18Å; F236-F269 HydrophobicContact CE1-CG 4.4Å; F236-F269 HydrophobicContact CE1-CZ 4.43Å; F236-F269 HydrophobicContact CE2-CD2 4.07Å; F236-F269 AromaticContact CE2-CE2 3.48Å; F236-F269 HydrophobicContact CE2-CE2 3.48Å; F236-F269 VanDerWaalsContact CE2-CE2 3.48Å; F236-F269 AromaticContact CE2-CZ 3.97Å; F236-F269 HydrophobicContact CE2-CZ 3.97Å; F236-F269 HydrophobicContact CG-CD1 4.5Å; F236-F269 HydrophobicContact CG-CD2 4.48Å; F236-F269 AromaticContact CG-CE1 3.79Å; F236-F269 HydrophobicContact CG-CE1 3.79Å; F236-F269 AromaticContact CG-CE2 3.76Å; F236-F269 HydrophobicContact CG-CE2 3.76Å; F236-F269 AromaticContact CG-CZ 3.36Å; F236-F269 HydrophobicContact CG-CZ 3.36Å; F236-F269 AromaticContact CZ-CD2 3.99Å; F236-F269 HydrophobicContact CZ-CD2 3.99Å; F236-F269 AromaticContact CZ-CE2 3.87Å; F236-F269 HydrophobicContact CZ-CE2 3.87Å; F236-F269 HydrophobicContact CZ-CZ 4.45Å; F236-I289 HydrophobicContact CE1-CD1 3.83Å; F236-I289 HydrophobicContact CE1-CG1 4.12Å; F236-I289 HydrophobicContact CZ-CD1 3.82Å; F236-I289 HydrophobicContact CZ-CG1 4.1Å; F236-P291 HydrophobicContact CD1-CB 4.32Å; F236-P291 HydrophobicContact CD1-CG 4.14Å; F236-P291 HydrophobicContact CE1-CG 4.05Å; F236-P291 HydrophobicContact CE2-CG 4.49Å; F236-P291 HydrophobicContact CG-CG 4.4Å; F236-P291 HydrophobicContact CZ-CG 4.23Å |
| 237 | Y | 93.9 | Very high | 77.1 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -119.3 | -3.5 | 177.8 | -47.8 | -88.7 | 0 | 0 | 0 | 112.5 | K179 P180 T234 D235 A255 V258 I259 L279 | K179-Y237 HydrophobicContact CB-CD1 4.35Å; K179-Y237 HydrophobicContact CB-CD2 3.74Å; K179-Y237 HydrophobicContact CB-CE1 4.28Å; K179-Y237 HydrophobicContact CB-CE2 3.65Å; K179-Y237 HydrophobicContact CB-CG 4.08Å; P180-Y237 VanDerWaalsContact CD-CZ 3.42Å; P180-Y237 VanDerWaalsContact CD-OH 3.3Å; P180-Y237 WeakPolarHBondContact CD-OH 3.41Å; P180-Y237 HydrophobicContact CG-CE1 4.04Å; T234-Y237 HydrophobicContact CG2-CD2 4.01Å; T234-Y237 HydrophobicContact CG2-CE2 4.05Å; T234-Y237 PolarHBondContact O-N 3.48Å; D235-Y237 PolarHBondContact O-N 3.22Å; D235-Y237 VanDerWaalsContact O-N 3.09Å; Y237-A255 WeakPolarHBondContact O-CB 3.49Å; Y237-V258 HydrophobicContact CD1-CB 4.41Å; Y237-V258 HydrophobicContact CD1-CG1 3.79Å; Y237-V258 HydrophobicContact CE1-CG1 4.28Å; Y237-I259 HydrophobicContact CD1-CG1 4.08Å; Y237-I259 HydrophobicContact CE1-CG1 4.25Å; Y237-L279 VanDerWaalsContact CE1-O 3.23Å; Y237-L279 WeakPolarHBondContact CE1-O 3.34Å; Y237-L279 PolarHBondContact OH-O 3.34Å |
| 238 | M | 92.3 | Very high | 77.8 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | trans | -71.4 | 138.2 | -179.1 | -73.4 | -158.4 | -87.3 | 0 | 0 | 111.6 | T234 D235 V242 W243 F254 G293 | T234-M238 PolarHBondContact O-N 2.91Å; D235-M238 VanDerWaalsContact CA-CE 3.45Å; D235-M238 HydrophobicContact CB-CE 4.11Å; D235-M238 PolarHBondContact O-N 3.43Å; D235-M238 WeakPolarHBondContact OD1-CE 3.48Å; M238-V242 HydrophobicContact CB-CB 4.49Å; M238-V242 HydrophobicContact CG-CG1 4.43Å; M238-V242 HydrophobicContact SD-CB 4.47Å; M238-V242 HydrophobicContact SD-CG1 3.7Å; M238-W243 HydrophobicContact CE-CZ2 4.06Å; M238-F254 VanDerWaalsContact O-CE1 3.27Å; M238-F254 WeakPolarHBondContact O-CE1 3.33Å; M238-G293 WeakPolarHBondContact O-CA 3.35Å | ||
| 239 | A | 93.1 | Very high | 78.8 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | trans | -74.7 | 153.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E241 V242 A251 F254 | A239-E241 VanDerWaalsContact C-N 3.29Å; A239-E241 VanDerWaalsContact CB-OE2 3.27Å; A239-E241 WeakPolarHBondContact CB-OE2 3.28Å; A239-E241 PolarHBondContact O-N 2.94Å; A239-V242 HydrophobicContact CB-CG2 4.03Å; A239-V242 WeakPolarHBondContact O-CB 3.46Å; A239-V242 PolarHBondContact O-N 3.39Å; A239-A251 HydrophobicContact CB-CB 4.16Å; A239-F254 VanDerWaalsContact CA-CD1 3.46Å; A239-F254 HydrophobicContact CB-CB 3.65Å; A239-F254 HydrophobicContact CB-CD1 3.77Å; A239-F254 HydrophobicContact CB-CD2 4.3Å; A239-F254 HydrophobicContact CB-CG 3.64Å | ||
| 240 | P | 92.1 | Very high | 80.7 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -52.1 | -44.8 | -178.3 | -26.4 | 34 | 0 | 0 | 0 | 113.4 | V242 W243 F254 G293 L296 L297 | P240-V242 PolarHBondContact O-N 3.34Å; P240-W243 PolarHBondContact O-N 3.23Å; P240-F254 HydrophobicContact CG-CE2 4.32Å; P240-G293 WeakPolarHBondContact CG-O 3.31Å; P240-L296 HydrophobicContact CG-CB 3.71Å; P240-L296 HydrophobicContact CG-CD1 4.45Å; P240-L297 HydrophobicContact CB-CB 4.11Å; P240-L297 HydrophobicContact CB-CD1 4.4Å |
| 241 | E | 89.7 | Confident | 82.1 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.2 | -13.5 | -177 | 71.6 | -87.7 | -158.4 | 0 | 0 | 114.2 | A239 W243 E244 G245 P329 R332 | A239-E241 VanDerWaalsContact C-N 3.29Å; A239-E241 VanDerWaalsContact CB-OE2 3.27Å; A239-E241 WeakPolarHBondContact CB-OE2 3.28Å; A239-E241 PolarHBondContact O-N 2.94Å; E241-W243 VanDerWaalsContact C-N 3.31Å; E241-E244 PolarHBondContact O-N 2.76Å; E241-G245 PolarHBondContact O-N 2.89Å; E241-P329 HydrophobicContact CB-CG 4.23Å; E241-P329 HydrophobicContact CG-CG 3.88Å; E241-P329 WeakPolarHBondContact OE1-CG 3.41Å; E241-R332 IonicContact OE1-CZ 3.88Å; E241-R332 IonicContact OE1-NH1 3.94Å; E241-R332 PolarHBondContact OE1-NH1 3.46Å; E241-R332 IonicContact OE1-NH2 2.68Å; E241-R332 IonicContact OE2-CZ 3.09Å; E241-R332 IonicContact OE2-NH1 3.71Å; E241-R332 PolarHBondContact OE2-NH1 3Å; E241-R332 IonicContact OE2-NH2 2.77Å; E241-R332 PolarHBondContact OE2-NH2 3.27Å |
| 242 | V | 85.6 | Confident | 83.8 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.03 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.1 | -35.3 | 178.2 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | M238 A239 P240 E244 G245 Y247 A251 | M238-V242 HydrophobicContact CB-CB 4.49Å; M238-V242 HydrophobicContact CG-CG1 4.43Å; M238-V242 HydrophobicContact SD-CB 4.47Å; M238-V242 HydrophobicContact SD-CG1 3.7Å; A239-V242 HydrophobicContact CB-CG2 4.03Å; A239-V242 WeakPolarHBondContact O-CB 3.46Å; A239-V242 PolarHBondContact O-N 3.39Å; P240-V242 PolarHBondContact O-N 3.34Å; V242-E244 VanDerWaalsContact C-N 3.26Å; V242-E244 PolarHBondContact O-N 3.28Å; V242-G245 PolarHBondContact O-N 3.14Å; V242-Y247 HydrophobicContact CB-CD1 4.24Å; V242-Y247 HydrophobicContact CB-CG 4.46Å; V242-Y247 HydrophobicContact CG1-CD1 4.16Å; V242-Y247 HydrophobicContact CG1-CE1 3.95Å; V242-Y247 HydrophobicContact CG2-CD1 4.09Å; V242-Y247 HydrophobicContact CG2-CD2 3.99Å; V242-Y247 HydrophobicContact CG2-CE1 4.5Å; V242-Y247 HydrophobicContact CG2-CE2 4.39Å; V242-Y247 HydrophobicContact CG2-CG 3.82Å; V242-A251 HydrophobicContact CG2-CB 3.95Å |
| 243 | W | 80.2 | Confident | 85.4 | Confident | 100 Ų | 100 | 30.1 Ų | 30.1 | 38% | 0.379 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.9 | -28.1 | 176.5 | -66.7 | 87.3 | 0 | 0 | 0 | 112.7 | D235 M238 P240 E241 G245 L297 | D235-W243 HydrophobicContact CB-CZ2 4.37Å; M238-W243 HydrophobicContact CE-CZ2 4.06Å; P240-W243 PolarHBondContact O-N 3.23Å; E241-W243 VanDerWaalsContact C-N 3.31Å; W243-G245 PolarHBondContact O-N 3.48Å; W243-L297 HydrophobicContact CB-CD2 3.77Å; W243-L297 HydrophobicContact CG-CD2 4.3Å |
| 244 | E | 78.1 | Confident | 86.7 | Confident | 125 Ų | 125 | 29 Ų | 29 | 58% | 0.584 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -4.7 | 174.4 | -57.6 | -176.7 | 153.7 | 0 | 0 | 112.5 | E241 V242 H246 L297 | E241-E244 PolarHBondContact O-N 2.76Å; V242-E244 VanDerWaalsContact C-N 3.26Å; V242-E244 PolarHBondContact O-N 3.28Å; E244-H246 VanDerWaalsContact C-N 3.28Å; E244-H246 PolarHBondContact O-N 3.39Å; E244-H246 PolarHBondContact O-ND1 2.95Å; E244-H246 VanDerWaalsContact O-ND1 3.13Å; E244-L297 HydrophobicContact CG-CD1 3.94Å; E244-L297 WeakPolarHBondContact OE1-CD1 3.46Å |
| 245 | G | 67 | Low | 87.5 | Confident | 12 Ų | 12 | 27.5 Ų | 27.5 | 12% | 0.124 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 20.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L228 S229 E241 V242 W243 | L228-G245 CarbonylContact O-C 3.55Å; S229-G245 WeakPolarHBondContact CA-O 3.37Å; E241-G245 PolarHBondContact O-N 2.89Å; V242-G245 PolarHBondContact O-N 3.14Å; W243-G245 PolarHBondContact O-N 3.48Å |
| 246 | H | 66.9 | Low | 88 | Confident | 126 Ų | 126 | 23.9 Ų | 23.9 | 58% | 0.583 | 11% | 0.114 | S | C | * | . | trans | -138.8 | 89.1 | 176.7 | -66.9 | 84.1 | 0 | 0 | 0 | 110.6 | L228 E244 | L228-H246 WeakPolarHBondContact O-CA 3.45Å; E244-H246 VanDerWaalsContact C-N 3.28Å; E244-H246 PolarHBondContact O-N 3.39Å; E244-H246 PolarHBondContact O-ND1 2.95Å; E244-H246 VanDerWaalsContact O-ND1 3.13Å | ||
| 247 | Y | 73.6 | Confident | 88.3 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -132.4 | 166 | -174 | 64.2 | -83.2 | 0 | 0 | 0 | 113.3 | R176 L228 T230 C232 V242 A251 | R176-Y247 HydrophobicContact CG-CE2 4.23Å; R176-Y247 PolarHBondContact NE-OH 2.64Å; R176-Y247 PolarHBondContact NH2-OH 2.8Å; L228-Y247 HydrophobicContact CB-CD1 4.02Å; L228-Y247 HydrophobicContact CB-CD2 4.08Å; L228-Y247 HydrophobicContact CB-CE1 3.75Å; L228-Y247 HydrophobicContact CB-CE2 3.84Å; L228-Y247 HydrophobicContact CB-CG 4.17Å; L228-Y247 HydrophobicContact CD1-CD2 3.59Å; L228-Y247 HydrophobicContact CD1-CE2 3.21Å; L228-Y247 HydrophobicContact CD1-CG 4.46Å; L228-Y247 HydrophobicContact CG-CD2 4.37Å; L228-Y247 HydrophobicContact CG-CE2 4.14Å; L228-Y247 PolarHBondContact N-O 3.22Å; L228-Y247 PolarHBondContact O-N 3.31Å; T230-Y247 VanDerWaalsContact O-CE1 3.31Å; T230-Y247 WeakPolarHBondContact O-CE1 3.41Å; T230-Y247 PolarHBondContact O-OH 2.9Å; C232-Y247 PolarHBondContact SG-OH 3.01Å; V242-Y247 HydrophobicContact CB-CD1 4.24Å; V242-Y247 HydrophobicContact CB-CG 4.46Å; V242-Y247 HydrophobicContact CG1-CD1 4.16Å; V242-Y247 HydrophobicContact CG1-CE1 3.95Å; V242-Y247 HydrophobicContact CG2-CD1 4.09Å; V242-Y247 HydrophobicContact CG2-CD2 3.99Å; V242-Y247 HydrophobicContact CG2-CE1 4.5Å; V242-Y247 HydrophobicContact CG2-CE2 4.39Å; V242-Y247 HydrophobicContact CG2-CG 3.82Å; Y247-A251 HydrophobicContact CD2-CB 3.78Å; Y247-A251 HydrophobicContact CE2-CB 4.49Å |
| 248 | T | 78.9 | Confident | 88.4 | Confident | 17 Ų | 17 | 22.1 Ų | 22.1 | 10% | 0.104 | 11% | 0.107 | C | C | . | . | trans | -124 | -174.4 | -175.2 | 67 | 0 | 0 | 0 | 0 | 110.9 | K250 A251 | T248-K250 PolarHBondContact O-N 3.35Å; T248-K250 WeakPolarHBondContact OG1-CB 3.49Å; T248-K250 PolarHBondContact OG1-N 2.66Å; T248-A251 WeakPolarHBondContact O-CB 3.36Å; T248-A251 PolarHBondContact O-N 2.82Å | ||
| 249 | A | 89.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -20.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H169 I174 V223 A251 D252 | H169-A249 PolarHBondContact CE1-O 3.02Å; H169-A249 VanDerWaalsContact CE1-O 3.28Å; I174-A249 HydrophobicContact CD1-CB 4.18Å; I174-A249 HydrophobicContact CG1-CB 4.12Å; V223-A249 HydrophobicContact CB-CB 3.79Å; V223-A249 HydrophobicContact CG2-CB 3.69Å; V223-A249 PolarHBondContact O-N 2.85Å; A249-A251 PolarHBondContact O-N 3.06Å; A249-D252 WeakPolarHBondContact O-CB 3.33Å; A249-D252 PolarHBondContact O-N 2.93Å; A249-D252 VanDerWaalsContact O-N 3.14Å |
| 250 | K | 94.8 | Very high | 88.8 | Confident | 18 Ų | 18 | 21.2 Ų | 21.2 | 8% | 0.078 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.1 | -15.5 | 176.3 | -61.6 | -61.1 | -168.8 | 72.9 | 0 | 113.8 | T248 D252 I253 F254 P329 R332 | T248-K250 PolarHBondContact O-N 3.35Å; T248-K250 WeakPolarHBondContact OG1-CB 3.49Å; T248-K250 PolarHBondContact OG1-N 2.66Å; K250-D252 VanDerWaalsContact C-N 3.34Å; K250-I253 HydrophobicContact CD-CG1 4.27Å; K250-I253 WeakPolarHBondContact O-CB 3.3Å; K250-I253 PolarHBondContact O-N 3.44Å; K250-F254 PolarHBondContact O-N 3.04Å; K250-F254 VanDerWaalsContact O-N 3.16Å; K250-P329 HydrophobicContact CB-CB 3.93Å; K250-P329 HydrophobicContact CG-CB 4.39Å; K250-P329 WeakPolarHBondContact CG-O 3.42Å; K250-P329 PolarHBondContact NZ-O 2.04Å; K250-R332 HydrophobicContact CD-CB 4.27Å; K250-R332 PolarHBondContact NZ-O 3.1Å; K250-R332 PolarHBondContact O-NH1 3.43Å |
| 251 | A | 93.9 | Very high | 88.9 | Confident | 9 Ų | 9 | 22 Ų | 22 | 7% | 0.074 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.1 | -38.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | A239 V242 Y247 T248 A249 I253 F254 A255 | A239-A251 HydrophobicContact CB-CB 4.16Å; V242-A251 HydrophobicContact CG2-CB 3.95Å; Y247-A251 HydrophobicContact CD2-CB 3.78Å; Y247-A251 HydrophobicContact CE2-CB 4.49Å; T248-A251 WeakPolarHBondContact O-CB 3.36Å; T248-A251 PolarHBondContact O-N 2.82Å; A249-A251 PolarHBondContact O-N 3.06Å; A251-I253 VanDerWaalsContact C-N 3.27Å; A251-I253 PolarHBondContact O-N 3.29Å; A251-F254 WeakPolarHBondContact O-CB 3.37Å; A251-F254 PolarHBondContact O-N 3.17Å; A251-A255 PolarHBondContact O-N 3.23Å |
| 252 | D | 96.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.7 | -34.4 | 175.4 | -70.6 | -19.9 | 0 | 0 | 0 | 111.4 | L165 H169 I174 H175 R176 L178 A249 K250 A255 L256 | L165-D252 HydrophobicContact CD1-CB 3.8Å; L165-D252 HydrophobicContact CD2-CB 4.05Å; H169-D252 IonicContact CD2-OD2 3.57Å; H169-D252 IonicContact CE1-OD2 3.69Å; H169-D252 IonicContact NE2-OD2 2.65Å; H169-D252 PolarHBondContact NE2-OD2 3.01Å; I174-D252 WeakPolarHBondContact CG2-OD2 3.23Å; H175-D252 PolarHBondContact N-OD2 3.15Å; R176-D252 PolarHBondContact N-OD1 3.07Å; L178-D252 HydrophobicContact CD1-CB 3.71Å; A249-D252 WeakPolarHBondContact O-CB 3.33Å; A249-D252 PolarHBondContact O-N 2.93Å; A249-D252 VanDerWaalsContact O-N 3.14Å; K250-D252 VanDerWaalsContact C-N 3.34Å; D252-A255 PolarHBondContact O-N 3.42Å; D252-L256 PolarHBondContact O-N 3.05Å |
| 253 | I | 97.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.1 | -56.9 | -69.5 | 0 | 0 | 0 | 110.7 | L165 K250 A251 L256 G257 M324 R332 P333 A335 L338 | L165-I253 HydrophobicContact CD2-CD1 3.59Å; L165-I253 HydrophobicContact CD2-CG1 4.45Å; K250-I253 HydrophobicContact CD-CG1 4.27Å; K250-I253 WeakPolarHBondContact O-CB 3.3Å; K250-I253 PolarHBondContact O-N 3.44Å; A251-I253 VanDerWaalsContact C-N 3.27Å; A251-I253 PolarHBondContact O-N 3.29Å; I253-L256 PolarHBondContact O-N 3.42Å; I253-G257 PolarHBondContact O-N 3.31Å; I253-M324 HydrophobicContact CG2-CB 4.11Å; I253-M324 HydrophobicContact CG2-CE 4.41Å; I253-M324 HydrophobicContact CG2-CG 3.94Å; I253-M324 WeakPolarHBondContact O-CE 2.95Å; I253-R332 HydrophobicContact CG2-CB 4.14Å; I253-P333 HydrophobicContact CG2-CG 4.23Å; I253-A335 HydrophobicContact CD1-CB 4.06Å; I253-L338 HydrophobicContact CD1-CD2 3.87Å |
| 254 | F | 97.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.3 | -176 | -84.2 | 0 | 0 | 0 | 111.6 | M238 A239 P240 K250 A251 L256 G257 V258 L292 L296 M324 L325 | M238-F254 VanDerWaalsContact O-CE1 3.27Å; M238-F254 WeakPolarHBondContact O-CE1 3.33Å; A239-F254 VanDerWaalsContact CA-CD1 3.46Å; A239-F254 HydrophobicContact CB-CB 3.65Å; A239-F254 HydrophobicContact CB-CD1 3.77Å; A239-F254 HydrophobicContact CB-CD2 4.3Å; A239-F254 HydrophobicContact CB-CG 3.64Å; P240-F254 HydrophobicContact CG-CE2 4.32Å; K250-F254 PolarHBondContact O-N 3.04Å; K250-F254 VanDerWaalsContact O-N 3.16Å; A251-F254 WeakPolarHBondContact O-CB 3.37Å; A251-F254 PolarHBondContact O-N 3.17Å; F254-L256 VanDerWaalsContact C-N 3.33Å; F254-L256 PolarHBondContact O-N 3.36Å; F254-G257 WeakPolarHBondContact O-CA 3.48Å; F254-G257 PolarHBondContact O-N 3.49Å; F254-V258 HydrophobicContact CD1-CG2 4.03Å; F254-V258 HydrophobicContact CE1-CG2 3.64Å; F254-V258 HydrophobicContact CZ-CG2 4.31Å; F254-V258 PolarHBondContact O-N 3.43Å; F254-L292 HydrophobicContact CZ-CD2 4.39Å; F254-L292 HydrophobicContact CZ-CG 4.34Å; F254-L296 HydrophobicContact CE2-CD1 3.67Å; F254-L296 HydrophobicContact CZ-CD1 3.86Å; F254-M324 WeakPolarHBondContact CA-O 3.43Å; F254-L325 HydrophobicContact CD2-CD2 4.06Å; F254-L325 HydrophobicContact CE1-CD2 4.38Å; F254-L325 HydrophobicContact CE2-CB 4.41Å; F254-L325 HydrophobicContact CE2-CD2 3.86Å; F254-L325 HydrophobicContact CG-CD2 4.4Å; F254-L325 HydrophobicContact CZ-CD2 4.03Å |
| 255 | A | 97.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 11.8 Ų | 11.8 | 4% | 0.041 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.1 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L178 Y237 A251 D252 G257 V258 I259 | L178-A255 HydrophobicContact CB-CB 3.92Å; Y237-A255 WeakPolarHBondContact O-CB 3.49Å; A251-A255 PolarHBondContact O-N 3.23Å; D252-A255 PolarHBondContact O-N 3.42Å; A255-G257 VanDerWaalsContact C-N 3.29Å; A255-G257 PolarHBondContact O-N 2.75Å; A255-V258 WeakPolarHBondContact O-CB 3.47Å; A255-V258 PolarHBondContact O-N 3.35Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.33Å; A255-I259 PolarHBondContact O-N 2.96Å |
| 256 | L | 97.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.8 | -35.9 | 171.5 | -74.7 | -167.3 | 0 | 0 | 0 | 112.6 | L161 L165 L178 D252 I253 F254 V258 I259 F260 M324 L338 | L161-L256 HydrophobicContact CB-CD1 4.49Å; L161-L256 HydrophobicContact CB-CD2 4.14Å; L161-L256 HydrophobicContact CD1-CD2 4.32Å; L161-L256 HydrophobicContact CD2-CD2 4.27Å; L161-L256 HydrophobicContact CG-CD2 4.47Å; L165-L256 HydrophobicContact CB-CD1 4.03Å; L165-L256 HydrophobicContact CD2-CD1 3.41Å; L165-L256 VanDerWaalsContact CD2-CD1 3.41Å; L165-L256 HydrophobicContact CD2-CG 4.07Å; L165-L256 HydrophobicContact CG-CD1 4.32Å; L178-L256 HydrophobicContact CD1-CD2 4.09Å; L178-L256 HydrophobicContact CD1-CG 4.05Å; D252-L256 PolarHBondContact O-N 3.05Å; I253-L256 PolarHBondContact O-N 3.42Å; F254-L256 VanDerWaalsContact C-N 3.33Å; F254-L256 PolarHBondContact O-N 3.36Å; L256-V258 VanDerWaalsContact C-N 3.34Å; L256-I259 HydrophobicContact CD2-CD1 4.16Å; L256-I259 PolarHBondContact O-N 3.34Å; L256-F260 HydrophobicContact CB-CE1 4.5Å; L256-F260 HydrophobicContact CB-CZ 4.48Å; L256-F260 HydrophobicContact CD1-CZ 4.4Å; L256-F260 HydrophobicContact CD2-CE1 4.45Å; L256-F260 WeakPolarHBondContact O-CB 3.24Å; L256-F260 VanDerWaalsContact O-CD1 3.29Å; L256-F260 WeakPolarHBondContact O-CD1 3.27Å; L256-F260 WeakPolarHBondContact O-CG 3.46Å; L256-F260 PolarHBondContact O-N 2.81Å; L256-M324 HydrophobicContact CB-CE 3.59Å; L256-L338 HydrophobicContact CD1-CD2 3.97Å |
| 257 | G | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I253 F254 A255 F260 W261 M324 | I253-G257 PolarHBondContact O-N 3.31Å; F254-G257 WeakPolarHBondContact O-CA 3.48Å; F254-G257 PolarHBondContact O-N 3.49Å; A255-G257 VanDerWaalsContact C-N 3.29Å; A255-G257 PolarHBondContact O-N 2.75Å; G257-F260 PolarHBondContact O-N 2.88Å; G257-W261 WeakPolarHBondContact O-CB 3.43Å; G257-W261 PolarHBondContact O-N 3.47Å; G257-M324 VanDerWaalsContact N-CE 3.35Å |
| 258 | V | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -62.1 | -48.4 | 174 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | Y237 F254 A255 L256 F260 W261 A262 L292 L325 | Y237-V258 HydrophobicContact CD1-CB 4.41Å; Y237-V258 HydrophobicContact CD1-CG1 3.79Å; Y237-V258 HydrophobicContact CE1-CG1 4.28Å; F254-V258 HydrophobicContact CD1-CG2 4.03Å; F254-V258 HydrophobicContact CE1-CG2 3.64Å; F254-V258 HydrophobicContact CZ-CG2 4.31Å; F254-V258 PolarHBondContact O-N 3.43Å; A255-V258 WeakPolarHBondContact O-CB 3.47Å; A255-V258 PolarHBondContact O-N 3.35Å; L256-V258 VanDerWaalsContact C-N 3.34Å; V258-F260 PolarHBondContact O-N 3.49Å; V258-W261 PolarHBondContact O-N 3.46Å; V258-A262 VanDerWaalsContact O-CB 3.26Å; V258-A262 WeakPolarHBondContact O-CB 3.33Å; V258-A262 PolarHBondContact O-N 2.81Å; V258-L292 HydrophobicContact CG2-CD2 4.27Å; V258-L325 HydrophobicContact CG2-CD2 3.76Å |
| 259 | I | 97.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 179.4 | -67.7 | 163.8 | 0 | 0 | 0 | 110.7 | M140 L161 L178 P180 I183 Y237 A255 L256 M263 | M140-I259 HydrophobicContact CE-CG2 3.74Å; M140-I259 HydrophobicContact SD-CG2 4.36Å; L161-I259 HydrophobicContact CD1-CG2 4.34Å; L178-I259 HydrophobicContact CB-CD1 4.37Å; P180-I259 HydrophobicContact CG-CG1 4.17Å; I183-I259 HydrophobicContact CD1-CD1 4.09Å; Y237-I259 HydrophobicContact CD1-CG1 4.08Å; Y237-I259 HydrophobicContact CE1-CG1 4.25Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.33Å; A255-I259 PolarHBondContact O-N 2.96Å; L256-I259 HydrophobicContact CD2-CD1 4.16Å; L256-I259 PolarHBondContact O-N 3.34Å; I259-M263 WeakPolarHBondContact O-CB 3.41Å; I259-M263 PolarHBondContact O-N 3.11Å |
| 260 | F | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.9 | -45.9 | -179.3 | -72.3 | 2.7 | 0 | 0 | 0 | 111.1 | M158 L161 L256 G257 V258 M263 V264 I321 M324 L342 | M158-F260 HydrophobicContact CB-CE1 4.05Å; M158-F260 HydrophobicContact CB-CE2 4.16Å; M158-F260 HydrophobicContact CB-CZ 3.85Å; M158-F260 HydrophobicContact CE-CB 4.28Å; M158-F260 HydrophobicContact CE-CG 4.47Å; M158-F260 HydrophobicContact CG-CD1 3.76Å; M158-F260 HydrophobicContact CG-CD2 4.08Å; M158-F260 HydrophobicContact CG-CE1 3.78Å; M158-F260 HydrophobicContact CG-CE2 4.1Å; M158-F260 HydrophobicContact CG-CG 3.91Å; M158-F260 HydrophobicContact CG-CZ 3.95Å; M158-F260 HydrophobicContact SD-CD2 4.27Å; M158-F260 HydrophobicContact SD-CG 4.32Å; L161-F260 HydrophobicContact CB-CE1 4.03Å; L161-F260 HydrophobicContact CB-CZ 4.27Å; L161-F260 HydrophobicContact CD1-CE1 3.82Å; L256-F260 HydrophobicContact CB-CE1 4.5Å; L256-F260 HydrophobicContact CB-CZ 4.48Å; L256-F260 HydrophobicContact CD1-CZ 4.4Å; L256-F260 HydrophobicContact CD2-CE1 4.45Å; L256-F260 WeakPolarHBondContact O-CB 3.24Å; L256-F260 VanDerWaalsContact O-CD1 3.29Å; L256-F260 WeakPolarHBondContact O-CD1 3.27Å; L256-F260 WeakPolarHBondContact O-CG 3.46Å; L256-F260 PolarHBondContact O-N 2.81Å; G257-F260 PolarHBondContact O-N 2.88Å; V258-F260 PolarHBondContact O-N 3.49Å; F260-M263 HydrophobicContact CD1-CE 4.28Å; F260-M263 PolarHBondContact O-N 3.46Å; F260-V264 WeakPolarHBondContact O-CB 3.39Å; F260-V264 VanDerWaalsContact O-CG2 3.22Å; F260-V264 WeakPolarHBondContact O-CG2 3.08Å; F260-V264 PolarHBondContact O-N 3.4Å; F260-I321 HydrophobicContact CB-CD1 3.94Å; F260-I321 HydrophobicContact CB-CG1 4.12Å; F260-M324 HydrophobicContact CD2-CE 3.81Å; F260-M324 HydrophobicContact CD2-SD 3.94Å; F260-M324 HydrophobicContact CE2-CE 3.79Å; F260-M324 HydrophobicContact CE2-SD 4.16Å; F260-L342 HydrophobicContact CE2-CD1 4.07Å; F260-L342 HydrophobicContact CE2-CD2 4.04Å; F260-L342 HydrophobicContact CZ-CD1 4.22Å |
| 261 | W | 94.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 14.9 Ų | 14.9 | 8% | 0.08 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64 | -49.5 | 178.9 | -171.7 | 10.9 | 0 | 0 | 0 | 111.6 | G257 V258 M263 V264 E265 I267 L292 L304 I306 I321 L325 | G257-W261 WeakPolarHBondContact O-CB 3.43Å; G257-W261 PolarHBondContact O-N 3.47Å; V258-W261 PolarHBondContact O-N 3.46Å; W261-M263 VanDerWaalsContact C-N 3.33Å; W261-M263 PolarHBondContact O-N 3.05Å; W261-V264 PolarHBondContact O-N 2.98Å; W261-E265 PolarHBondContact O-N 3.13Å; W261-I267 HydrophobicContact CD2-CD1 4.12Å; W261-I267 HydrophobicContact CG-CD1 4.17Å; W261-I267 HydrophobicContact CZ2-CD1 4.32Å; W261-L292 HydrophobicContact CE3-CD2 4.09Å; W261-L292 HydrophobicContact CZ3-CD1 4.45Å; W261-L292 HydrophobicContact CZ3-CD2 3.8Å; W261-L304 HydrophobicContact CH2-CB 4.32Å; W261-L304 HydrophobicContact CZ3-CB 4.46Å; W261-L304 HydrophobicContact CZ3-CD1 4.31Å; W261-L304 HydrophobicContact CZ3-CD2 4.48Å; W261-I306 HydrophobicContact CD2-CG1 4.02Å; W261-I306 HydrophobicContact CE3-CG1 4.44Å; W261-I306 HydrophobicContact CH2-CG1 4.18Å; W261-I306 HydrophobicContact CZ2-CB 4.23Å; W261-I306 HydrophobicContact CZ2-CG1 3.73Å; W261-I321 HydrophobicContact CB-CG2 3.94Å; W261-I321 HydrophobicContact CG-CG2 4.41Å; W261-L325 HydrophobicContact CD2-CD1 4.35Å; W261-L325 HydrophobicContact CE3-CD1 3.51Å; W261-L325 HydrophobicContact CZ3-CD1 4.1Å |
| 262 | A | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | V258 R266 I267 L279 | V258-A262 VanDerWaalsContact O-CB 3.26Å; V258-A262 WeakPolarHBondContact O-CB 3.33Å; V258-A262 PolarHBondContact O-N 2.81Å; A262-R266 CarbonylContact O-C 3.55Å; A262-R266 WeakPolarHBondContact O-CA 3.2Å; A262-R266 PolarHBondContact O-N 2.84Å; A262-I267 HydrophobicContact CB-CB 4.38Å; A262-I267 PolarHBondContact O-N 3.22Å; A262-L279 HydrophobicContact CB-CB 4.23Å; A262-L279 HydrophobicContact CB-CD2 4.49Å |
| 263 | M | 93.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 178 | 173.9 | 174.7 | 61.1 | 0 | 0 | 112.9 | M140 L144 N154 F157 M158 I259 F260 W261 | M140-M263 HydrophobicContact CE-CE 4.29Å; M140-M263 HydrophobicContact CE-CG 4.42Å; M140-M263 HydrophobicContact CE-SD 3.41Å; M140-M263 WeakPolarHBondContact CE-SD 3.5Å; L144-M263 HydrophobicContact CD1-CB 4.31Å; L144-M263 HydrophobicContact CD1-CG 3.78Å; L144-M263 HydrophobicContact CD1-SD 3.89Å; N154-M263 HydrophobicContact CB-CE 4.21Å; N154-M263 HydrophobicContact CB-CG 4.31Å; N154-M263 HydrophobicContact CB-SD 4.21Å; N154-M263 PolarHBondContact ND2-O 3.24Å; N154-M263 WeakPolarHBondContact OD1-CG 3.35Å; F157-M263 HydrophobicContact CB-CE 4.39Å; F157-M263 HydrophobicContact CB-SD 4.1Å; F157-M263 HydrophobicContact CD2-SD 4.25Å; M158-M263 HydrophobicContact CE-CE 3.72Å; M158-M263 HydrophobicContact CG-CE 3.57Å; I259-M263 WeakPolarHBondContact O-CB 3.41Å; I259-M263 PolarHBondContact O-N 3.11Å; F260-M263 HydrophobicContact CD1-CE 4.28Å; F260-M263 PolarHBondContact O-N 3.46Å; W261-M263 VanDerWaalsContact C-N 3.33Å; W261-M263 PolarHBondContact O-N 3.05Å |
| 264 | V | 89.8 | Confident | 92.4 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.8 | -47.8 | -178 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | M158 F260 W261 M313 | M158-V264 HydrophobicContact CE-CG2 3.11Å; F260-V264 WeakPolarHBondContact O-CB 3.39Å; F260-V264 VanDerWaalsContact O-CG2 3.22Å; F260-V264 WeakPolarHBondContact O-CG2 3.08Å; F260-V264 PolarHBondContact O-N 3.4Å; W261-V264 PolarHBondContact O-N 2.98Å; V264-M313 HydrophobicContact CG1-CB 3.92Å; V264-M313 HydrophobicContact CG1-CE 4.47Å; V264-M313 HydrophobicContact CG1-SD 4.18Å |
| 265 | E | 89 | Confident | 92.1 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -91.1 | -5.8 | -174.4 | -68.6 | -59.4 | 134.4 | 0 | 0 | 113 | W261 I267 S312 | W261-E265 PolarHBondContact O-N 3.13Å; E265-I267 HydrophobicContact CB-CD1 4.07Å; E265-I267 HydrophobicContact CB-CG1 3.77Å; E265-S312 VanDerWaalsContact OE1-CB 3.27Å; E265-S312 WeakPolarHBondContact OE1-CB 3.07Å; E265-S312 PolarHBondContact OE1-OG 3.13Å |
| 266 | R | 90.8 | Very high | 91.7 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 53.3 | -171.5 | -65.1 | -54.3 | -167 | 117.5 | -0.5 | 111.8 | L144 R147 P149 A262 | L144-R266 VanDerWaalsContact O-CZ 3.25Å; L144-R266 PolarHBondContact O-NH1 3.26Å; L144-R266 PolarHBondContact O-NH2 2.9Å; R147-R266 PolarHBondContact O-NH2 3.09Å; R147-R266 VanDerWaalsContact O-NH2 3.1Å; P149-R266 HydrophobicContact CB-CG 4.26Å; P149-R266 HydrophobicContact CG-CG 3.62Å; A262-R266 CarbonylContact O-C 3.55Å; A262-R266 WeakPolarHBondContact O-CA 3.2Å; A262-R266 PolarHBondContact O-N 2.84Å |
| 267 | I | 92.2 | Very high | 91.6 | Very high | 37 Ų | 37 | 49 Ų | 49 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | trans | -83.1 | 121.2 | 173 | -48.3 | 173.5 | 0 | 0 | 0 | 106.9 | W261 A262 E265 L279 G280 Y282 | W261-I267 HydrophobicContact CD2-CD1 4.12Å; W261-I267 HydrophobicContact CG-CD1 4.17Å; W261-I267 HydrophobicContact CZ2-CD1 4.32Å; A262-I267 HydrophobicContact CB-CB 4.38Å; A262-I267 PolarHBondContact O-N 3.22Å; E265-I267 HydrophobicContact CB-CD1 4.07Å; E265-I267 HydrophobicContact CB-CG1 3.77Å; I267-L279 WeakPolarHBondContact O-CA 3.38Å; I267-G280 CarbonylContact C-O 3.53Å; I267-G280 VanDerWaalsContact CB-O 3.31Å; I267-G280 WeakPolarHBondContact CB-O 3.31Å; I267-G280 WeakPolarHBondContact CG2-O 3.41Å; I267-G280 PolarHBondContact O-N 2.99Å; I267-Y282 HydrophobicContact CG2-CD1 4.32Å; I267-Y282 HydrophobicContact CG2-CE1 3.85Å | ||
| 268 | T | 94.1 | Very high | 91.4 | Very high | 35 Ų | 35 | 49.5 Ų | 49.5 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 154.3 | 179.8 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | L145 E277 L278 L279 Y282 | L145-T268 HydrophobicContact CD2-CG2 3.57Å; T268-E277 VanDerWaalsContact CB-OE1 3.29Å; T268-E277 WeakPolarHBondContact CB-OE1 3.5Å; T268-E277 HydrophobicContact CG2-CG 4.19Å; T268-E277 PolarHBondContact OG1-OE1 2.96Å; T268-L278 CarbonylContact C-O 3.59Å; T268-L278 WeakPolarHBondContact CA-O 3.37Å; T268-L278 WeakPolarHBondContact CB-O 3.44Å; T268-L279 HydrophobicContact CG2-CD2 3.95Å; T268-Y282 WeakPolarHBondContact O-CE1 3.36Å; T268-Y282 PolarHBondContact O-OH 2.85Å |
| 269 | F | 92.9 | Very high | 91.3 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 161.7 | 170 | 67.5 | -80.6 | 0 | 0 | 0 | 109.1 | F236 D271 E277 L278 Y282 I289 | F236-F269 HydrophobicContact CB-CE1 3.9Å; F236-F269 HydrophobicContact CB-CZ 3.68Å; F236-F269 HydrophobicContact CD1-CD1 4.29Å; F236-F269 HydrophobicContact CD1-CD2 4.41Å; F236-F269 HydrophobicContact CD1-CE1 4.01Å; F236-F269 HydrophobicContact CD1-CE2 4.13Å; F236-F269 HydrophobicContact CD1-CG 4.48Å; F236-F269 AromaticContact CD1-CZ 3.92Å; F236-F269 HydrophobicContact CD1-CZ 3.92Å; F236-F269 HydrophobicContact CD2-CD2 4.32Å; F236-F269 HydrophobicContact CD2-CE1 4.28Å; F236-F269 AromaticContact CD2-CE2 3.42Å; F236-F269 HydrophobicContact CD2-CE2 3.42Å; F236-F269 VanDerWaalsContact CD2-CE2 3.42Å; F236-F269 AromaticContact CD2-CZ 3.39Å; F236-F269 HydrophobicContact CD2-CZ 3.39Å; F236-F269 HydrophobicContact CE1-CD2 4.17Å; F236-F269 HydrophobicContact CE1-CE2 4.18Å; F236-F269 HydrophobicContact CE1-CG 4.4Å; F236-F269 HydrophobicContact CE1-CZ 4.43Å; F236-F269 HydrophobicContact CE2-CD2 4.07Å; F236-F269 AromaticContact CE2-CE2 3.48Å; F236-F269 HydrophobicContact CE2-CE2 3.48Å; F236-F269 VanDerWaalsContact CE2-CE2 3.48Å; F236-F269 AromaticContact CE2-CZ 3.97Å; F236-F269 HydrophobicContact CE2-CZ 3.97Å; F236-F269 HydrophobicContact CG-CD1 4.5Å; F236-F269 HydrophobicContact CG-CD2 4.48Å; F236-F269 AromaticContact CG-CE1 3.79Å; F236-F269 HydrophobicContact CG-CE1 3.79Å; F236-F269 AromaticContact CG-CE2 3.76Å; F236-F269 HydrophobicContact CG-CE2 3.76Å; F236-F269 AromaticContact CG-CZ 3.36Å; F236-F269 HydrophobicContact CG-CZ 3.36Å; F236-F269 AromaticContact CZ-CD2 3.99Å; F236-F269 HydrophobicContact CZ-CD2 3.99Å; F236-F269 AromaticContact CZ-CE2 3.87Å; F236-F269 HydrophobicContact CZ-CE2 3.87Å; F236-F269 HydrophobicContact CZ-CZ 4.45Å; F269-D271 HydrophobicContact CE2-CB 4.33Å; F269-E277 CarbonylContact O-C 3.56Å; F269-E277 WeakPolarHBondContact O-CA 3.37Å; F269-L278 HydrophobicContact CD1-CB 4.37Å; F269-L278 HydrophobicContact CE1-CB 3.81Å; F269-L278 HydrophobicContact CE2-CB 4.3Å; F269-L278 HydrophobicContact CE2-CD1 4.15Å; F269-L278 HydrophobicContact CZ-CB 3.78Å; F269-L278 HydrophobicContact CZ-CD1 3.87Å; F269-L278 HydrophobicContact CZ-CG 4.41Å; F269-L278 PolarHBondContact N-O 3.28Å; F269-L278 PolarHBondContact O-N 3.36Å; F269-Y282 HydrophobicContact CB-CD1 4.1Å; F269-Y282 HydrophobicContact CB-CE1 3.87Å; F269-Y282 HydrophobicContact CD1-CD1 4.48Å; F269-I289 HydrophobicContact CB-CD1 3.62Å; F269-I289 HydrophobicContact CD2-CD1 4.02Å; F269-I289 HydrophobicContact CG-CD1 4.09Å |
| 270 | V | 91.8 | Very high | 91.1 | Very high | 81 Ų | 81 | 49.5 Ų | 49.5 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.7 | 172.8 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | V272 K276 | V270-V272 PolarHBondContact O-N 2.87Å; V270-K276 WeakPolarHBondContact CA-O 3.46Å |
| 271 | D | 87.3 | Confident | 90.9 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | trans | -67.1 | 126.7 | 174.3 | 179.2 | -107.7 | 0 | 0 | 0 | 110.2 | F269 E273 T274 Q275 K276 L278 | F269-D271 HydrophobicContact CE2-CB 4.33Å; D271-E273 VanDerWaalsContact C-N 3.33Å; D271-E273 PolarHBondContact O-N 2.98Å; D271-E273 PolarHBondContact OD1-N 3.02Å; D271-T274 WeakPolarHBondContact CB-OG1 3.46Å; D271-T274 VanDerWaalsContact OD1-CB 3.27Å; D271-T274 WeakPolarHBondContact OD1-CB 3.45Å; D271-T274 WeakPolarHBondContact OD1-CG2 3.24Å; D271-T274 PolarHBondContact OD1-N 3.47Å; D271-T274 PolarHBondContact OD1-OG1 2.9Å; D271-Q275 WeakPolarHBondContact O-CA 3.26Å; D271-Q275 PolarHBondContact O-N 3.3Å; D271-K276 PolarHBondContact N-O 3.32Å; D271-L278 HydrophobicContact CB-CD1 3.71Å; D271-L278 HydrophobicContact CB-CG 4.21Å | ||
| 272 | V | 84.8 | Confident | 90.8 | Very high | 121 Ų | 121 | 52 Ų | 52 | 73% | 0.733 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -35.4 | -171.8 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | V270 Q275 | V270-V272 PolarHBondContact O-N 2.87Å; V272-Q275 PolarHBondContact O-NE2 3.49Å |
| 273 | E | 83 | Confident | 90.7 | Very high | 180 Ų | 180 | 53.7 Ų | 53.7 | 84% | 0.841 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -47.8 | -176.4 | -60.7 | -171.7 | 168.9 | 0 | 0 | 112 | D271 | D271-E273 VanDerWaalsContact C-N 3.33Å; D271-E273 PolarHBondContact O-N 2.98Å; D271-E273 PolarHBondContact OD1-N 3.02Å |
| 274 | T | 84.3 | Confident | 90.4 | Very high | 77 Ų | 77 | 58.7 Ų | 58.7 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -12.2 | -174 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | D271 K276 | D271-T274 WeakPolarHBondContact CB-OG1 3.46Å; D271-T274 VanDerWaalsContact OD1-CB 3.27Å; D271-T274 WeakPolarHBondContact OD1-CB 3.45Å; D271-T274 WeakPolarHBondContact OD1-CG2 3.24Å; D271-T274 PolarHBondContact OD1-N 3.47Å; D271-T274 PolarHBondContact OD1-OG1 2.9Å; T274-K276 PolarHBondContact O-N 2.97Å; T274-K276 VanDerWaalsContact O-N 3.15Å; T274-K276 WeakPolarHBondContact OG1-CB 3.41Å; T274-K276 PolarHBondContact OG1-N 2.74Å |
| 275 | Q | 89.7 | Confident | 90.3 | Very high | 139 Ų | 139 | 62.4 Ų | 62.4 | 65% | 0.65 | 31% | 0.311 | S | S | * | . | trans | 56.9 | 21.9 | -173.4 | -60.7 | -67.3 | -58.6 | 0 | 0 | 113.2 | D271 V272 | D271-Q275 WeakPolarHBondContact O-CA 3.26Å; D271-Q275 PolarHBondContact O-N 3.3Å; V272-Q275 PolarHBondContact O-NE2 3.49Å | ||
| 276 | K | 90.4 | Very high | 90.2 | Very high | 121 Ų | 121 | 65.1 Ų | 65.1 | 53% | 0.526 | 34% | 0.341 | S | S | . | . | trans | -91.9 | 141.9 | 178.7 | -68.5 | -178.6 | 177.6 | -178.9 | 0 | 110.5 | V270 D271 T274 L278 | V270-K276 WeakPolarHBondContact CA-O 3.46Å; D271-K276 PolarHBondContact N-O 3.32Å; T274-K276 PolarHBondContact O-N 2.97Å; T274-K276 VanDerWaalsContact O-N 3.15Å; T274-K276 WeakPolarHBondContact OG1-CB 3.41Å; T274-K276 PolarHBondContact OG1-N 2.74Å; K276-L278 HydrophobicContact CB-CD2 4.19Å | ||
| 277 | E | 94.6 | Very high | 89.9 | Confident | 98 Ų | 98 | 68.1 Ų | 68.1 | 46% | 0.458 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 124.9 | 166 | -173.5 | 178.2 | -168.7 | 0 | 0 | 109.4 | N141 L145 T268 F269 | N141-E277 PolarHBondContact ND2-O 3.4Å; L145-E277 HydrophobicContact CD1-CB 4.11Å; L145-E277 HydrophobicContact CD1-CG 3.94Å; L145-E277 WeakPolarHBondContact CD1-O 3.45Å; T268-E277 VanDerWaalsContact CB-OE1 3.29Å; T268-E277 WeakPolarHBondContact CB-OE1 3.5Å; T268-E277 HydrophobicContact CG2-CG 4.19Å; T268-E277 PolarHBondContact OG1-OE1 2.96Å; F269-E277 CarbonylContact O-C 3.56Å; F269-E277 WeakPolarHBondContact O-CA 3.37Å |
| 278 | L | 94.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.052 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 143.4 | -177.6 | -59.7 | -176.9 | 0 | 0 | 0 | 110.9 | N141 T268 F269 D271 K276 G280 | N141-L278 WeakPolarHBondContact ND2-CD2 3.4Å; N141-L278 WeakPolarHBondContact OD1-CA 3.32Å; T268-L278 CarbonylContact C-O 3.59Å; T268-L278 WeakPolarHBondContact CA-O 3.37Å; T268-L278 WeakPolarHBondContact CB-O 3.44Å; F269-L278 HydrophobicContact CD1-CB 4.37Å; F269-L278 HydrophobicContact CE1-CB 3.81Å; F269-L278 HydrophobicContact CE2-CB 4.3Å; F269-L278 HydrophobicContact CE2-CD1 4.15Å; F269-L278 HydrophobicContact CZ-CB 3.78Å; F269-L278 HydrophobicContact CZ-CD1 3.87Å; F269-L278 HydrophobicContact CZ-CG 4.41Å; F269-L278 PolarHBondContact N-O 3.28Å; F269-L278 PolarHBondContact O-N 3.36Å; D271-L278 HydrophobicContact CB-CD1 3.71Å; D271-L278 HydrophobicContact CB-CG 4.21Å; K276-L278 HydrophobicContact CB-CD2 4.19Å; L278-G280 PolarHBondContact O-N 3.38Å |
| 279 | L | 94.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 115.4 | 169.2 | -77.5 | 166.4 | 0 | 0 | 0 | 110.5 | N141 L144 L145 P180 Y237 A262 I267 T268 | N141-L279 PolarHBondContact OD1-N 2.97Å; L144-L279 HydrophobicContact CB-CD1 3.89Å; L144-L279 HydrophobicContact CD1-CD1 3.51Å; L144-L279 HydrophobicContact CG-CD1 4.35Å; L145-L279 HydrophobicContact CD2-CD2 4.25Å; L145-L279 HydrophobicContact CD2-CG 4.21Å; P180-L279 HydrophobicContact CG-CB 4.08Å; Y237-L279 VanDerWaalsContact CE1-O 3.23Å; Y237-L279 WeakPolarHBondContact CE1-O 3.34Å; Y237-L279 PolarHBondContact OH-O 3.34Å; A262-L279 HydrophobicContact CB-CB 4.23Å; A262-L279 HydrophobicContact CB-CD2 4.49Å; I267-L279 WeakPolarHBondContact O-CA 3.38Å; T268-L279 HydrophobicContact CG2-CD2 3.95Å |
| 280 | G | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | trans | -160.7 | 169.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I267 L278 | I267-G280 CarbonylContact C-O 3.53Å; I267-G280 VanDerWaalsContact CB-O 3.31Å; I267-G280 WeakPolarHBondContact CB-O 3.31Å; I267-G280 WeakPolarHBondContact CG2-O 3.41Å; I267-G280 PolarHBondContact O-N 2.99Å; L278-G280 PolarHBondContact O-N 3.38Å | ||
| 281 | S | 91.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -113.7 | 137.1 | 176.1 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | L292 | S281-L292 WeakPolarHBondContact O-CB 3.49Å; S281-L292 PolarHBondContact O-N 3.09Å | ||
| 282 | Y | 92.3 | Very high | 90 | Very high | 72 Ų | 72 | 69.6 Ų | 69.6 | 28% | 0.282 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 167 | -175.3 | 59.1 | -92.3 | 0 | 0 | 0 | 110.4 | I267 T268 F269 I289 V290 | I267-Y282 HydrophobicContact CG2-CD1 4.32Å; I267-Y282 HydrophobicContact CG2-CE1 3.85Å; T268-Y282 WeakPolarHBondContact O-CE1 3.36Å; T268-Y282 PolarHBondContact O-OH 2.85Å; F269-Y282 HydrophobicContact CB-CD1 4.1Å; F269-Y282 HydrophobicContact CB-CE1 3.87Å; F269-Y282 HydrophobicContact CD1-CD1 4.48Å; Y282-I289 HydrophobicContact CD2-CB 3.63Å; Y282-I289 HydrophobicContact CD2-CG2 3.5Å; Y282-I289 HydrophobicContact CE2-CB 4.12Å; Y282-I289 HydrophobicContact CE2-CG2 3.45Å; Y282-I289 VanDerWaalsContact CE2-CG2 3.45Å; Y282-I289 HydrophobicContact CG-CB 4.07Å; Y282-I289 HydrophobicContact CG-CG2 4.3Å; Y282-V290 CarbonylContact C-O 3.58Å; Y282-V290 VanDerWaalsContact CA-O 3.31Å; Y282-V290 WeakPolarHBondContact CA-O 3.3Å; Y282-V290 VanDerWaalsContact CB-O 3.3Å; Y282-V290 WeakPolarHBondContact CB-O 3.29Å |
| 283 | V | 91.2 | Very high | 90.4 | Very high | 36 Ų | 36 | 63.9 Ų | 63.9 | 22% | 0.218 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 132.3 | 171.4 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | Q285 V290 L292 A295 M302 | V283-Q285 HydrophobicContact CG1-CG 4.3Å; V283-Q285 PolarHBondContact O-N 3.21Å; V283-V290 PolarHBondContact N-O 3.47Å; V283-V290 PolarHBondContact O-N 3.47Å; V283-L292 HydrophobicContact CG2-CD1 4.13Å; V283-A295 HydrophobicContact CB-CB 3.96Å; V283-A295 HydrophobicContact CG2-CB 3.56Å; V283-M302 HydrophobicContact CG2-CE 3.86Å; V283-M302 HydrophobicContact CG2-SD 3.86Å |
| 284 | Q | 88.1 | Confident | 90.8 | Very high | 105 Ų | 105 | 58.3 Ų | 58.3 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 116.3 | 174 | -167.9 | 78.7 | 40.2 | 0 | 0 | 109.2 | G286 E288 | Q284-G286 PolarHBondContact NE2-O 2.86Å; Q284-G286 VanDerWaalsContact NE2-O 3.11Å; Q284-E288 PolarHBondContact NE2-O 3.3Å |
| 285 | Q | 86.8 | Confident | 91.3 | Very high | 94 Ų | 94 | 54.9 Ų | 54.9 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 94.9 | 173 | -64.3 | -163.5 | 20.5 | 0 | 0 | 109 | V283 S287 E288 V290 | V283-Q285 HydrophobicContact CG1-CG 4.3Å; V283-Q285 PolarHBondContact O-N 3.21Å; Q285-S287 PolarHBondContact O-N 3.42Å; Q285-E288 PolarHBondContact N-O 2.89Å; Q285-E288 PolarHBondContact O-N 2.92Å; Q285-E288 VanDerWaalsContact O-N 3.13Å; Q285-V290 HydrophobicContact CB-CG2 4.07Å; Q285-V290 HydrophobicContact CG-CB 4.49Å; Q285-V290 HydrophobicContact CG-CG2 3.78Å |
| 286 | G | 86.8 | Confident | 91.4 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 71% | 0.711 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | -122.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q284 | Q284-G286 PolarHBondContact NE2-O 2.86Å; Q284-G286 VanDerWaalsContact NE2-O 3.11Å |
| 287 | S | 85.3 | Confident | 91.5 | Very high | 116 Ų | 116 | 45.5 Ų | 45.5 | 81% | 0.811 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -11 | 177.2 | 51 | 0 | 0 | 0 | 0 | 114.1 | Q285 | Q285-S287 PolarHBondContact O-N 3.42Š|
| 288 | E | 89.3 | Confident | 91.4 | Very high | 139 Ų | 139 | 47 Ų | 47 | 65% | 0.65 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 154.2 | -175 | -65.2 | -177.3 | 169.1 | 0 | 0 | 111.3 | Q284 Q285 | Q284-E288 PolarHBondContact NE2-O 3.3Å; Q285-E288 PolarHBondContact N-O 2.89Å; Q285-E288 PolarHBondContact O-N 2.92Å; Q285-E288 VanDerWaalsContact O-N 3.13Å |
| 289 | I | 91.4 | Very high | 91.2 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132.2 | 170.7 | 63.2 | 174.9 | 0 | 0 | 0 | 108.2 | F236 F269 Y282 | F236-I289 HydrophobicContact CE1-CD1 3.83Å; F236-I289 HydrophobicContact CE1-CG1 4.12Å; F236-I289 HydrophobicContact CZ-CD1 3.82Å; F236-I289 HydrophobicContact CZ-CG1 4.1Å; F269-I289 HydrophobicContact CB-CD1 3.62Å; F269-I289 HydrophobicContact CD2-CD1 4.02Å; F269-I289 HydrophobicContact CG-CD1 4.09Å; Y282-I289 HydrophobicContact CD2-CB 3.63Å; Y282-I289 HydrophobicContact CD2-CG2 3.5Å; Y282-I289 HydrophobicContact CE2-CB 4.12Å; Y282-I289 HydrophobicContact CE2-CG2 3.45Å; Y282-I289 VanDerWaalsContact CE2-CG2 3.45Å; Y282-I289 HydrophobicContact CG-CB 4.07Å; Y282-I289 HydrophobicContact CG-CG2 4.3Å |
| 290 | V | 91.9 | Very high | 91 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.4 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | Y282 V283 Q285 L292 E294 A295 | Y282-V290 CarbonylContact C-O 3.58Å; Y282-V290 VanDerWaalsContact CA-O 3.31Å; Y282-V290 WeakPolarHBondContact CA-O 3.3Å; Y282-V290 VanDerWaalsContact CB-O 3.3Å; Y282-V290 WeakPolarHBondContact CB-O 3.29Å; V283-V290 PolarHBondContact N-O 3.47Å; V283-V290 PolarHBondContact O-N 3.47Å; Q285-V290 HydrophobicContact CB-CG2 4.07Å; Q285-V290 HydrophobicContact CG-CB 4.49Å; Q285-V290 HydrophobicContact CG-CG2 3.78Å; V290-L292 PolarHBondContact O-N 3.07Å; V290-E294 HydrophobicContact CG1-CB 3.99Å; V290-E294 HydrophobicContact CG1-CG 3.94Å; V290-A295 HydrophobicContact CG1-CB 4.26Å |
| 291 | P | 93.5 | Very high | 90.8 | Very high | 10 Ų | 10 | 63.2 Ų | 63.2 | 7% | 0.065 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.6 | 138.6 | 172.2 | -30.5 | 36.3 | 0 | 0 | 0 | 112.6 | D235 F236 G293 E294 A295 | D235-P291 HydrophobicContact CB-CG 4.01Å; F236-P291 HydrophobicContact CD1-CB 4.32Å; F236-P291 HydrophobicContact CD1-CG 4.14Å; F236-P291 HydrophobicContact CE1-CG 4.05Å; F236-P291 HydrophobicContact CE2-CG 4.49Å; F236-P291 HydrophobicContact CG-CG 4.4Å; F236-P291 HydrophobicContact CZ-CG 4.23Å; P291-G293 VanDerWaalsContact C-N 3.28Å; P291-G293 PolarHBondContact O-N 3Å; P291-E294 HydrophobicContact CB-CB 4.25Å; P291-E294 WeakPolarHBondContact CD-OE2 3.49Å; P291-E294 PolarHBondContact O-N 3.33Å; P291-E294 VanDerWaalsContact O-N 3.15Å; P291-A295 PolarHBondContact O-N 3.02Å |
| 292 | L | 93.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.5 | -38.9 | -175.1 | -178.1 | 63.5 | 0 | 0 | 0 | 112.9 | F254 V258 W261 S281 V283 V290 A295 L296 M302 L304 L325 | F254-L292 HydrophobicContact CZ-CD2 4.39Å; F254-L292 HydrophobicContact CZ-CG 4.34Å; V258-L292 HydrophobicContact CG2-CD2 4.27Å; W261-L292 HydrophobicContact CE3-CD2 4.09Å; W261-L292 HydrophobicContact CZ3-CD1 4.45Å; W261-L292 HydrophobicContact CZ3-CD2 3.8Å; S281-L292 WeakPolarHBondContact O-CB 3.49Å; S281-L292 PolarHBondContact O-N 3.09Å; V283-L292 HydrophobicContact CG2-CD1 4.13Å; V290-L292 PolarHBondContact O-N 3.07Å; L292-A295 PolarHBondContact O-N 2.87Å; L292-L296 HydrophobicContact CD1-CD1 4.31Å; L292-L296 HydrophobicContact CD1-CG 4.43Å; L292-L296 HydrophobicContact CG-CD1 4.01Å; L292-L296 WeakPolarHBondContact O-CB 3.37Å; L292-L296 WeakPolarHBondContact O-CG 3.24Å; L292-L296 PolarHBondContact O-N 2.95Å; L292-M302 HydrophobicContact CD1-CE 4.1Å; L292-L304 HydrophobicContact CD1-CD2 3.71Å; L292-L304 HydrophobicContact CD2-CD1 4.49Å; L292-L325 HydrophobicContact CD2-CD1 4.16Å; L292-L325 HydrophobicContact CD2-CD2 3.99Å |
| 293 | G | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M238 P240 P291 L296 L297 | M238-G293 WeakPolarHBondContact O-CA 3.35Å; P240-G293 WeakPolarHBondContact CG-O 3.31Å; P291-G293 VanDerWaalsContact C-N 3.28Å; P291-G293 PolarHBondContact O-N 3Å; G293-L296 PolarHBondContact O-N 3.07Å; G293-L297 PolarHBondContact O-N 3.36Å |
| 294 | E | 92.5 | Very high | 89.8 | Confident | 64 Ų | 64 | 68.8 Ų | 68.8 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.7 | -47 | 176.6 | -176.9 | 179 | 177.2 | 0 | 0 | 111.2 | V290 P291 L296 L297 E298 | V290-E294 HydrophobicContact CG1-CB 3.99Å; V290-E294 HydrophobicContact CG1-CG 3.94Å; P291-E294 HydrophobicContact CB-CB 4.25Å; P291-E294 WeakPolarHBondContact CD-OE2 3.49Å; P291-E294 PolarHBondContact O-N 3.33Å; P291-E294 VanDerWaalsContact O-N 3.15Å; E294-L296 VanDerWaalsContact C-N 3.26Å; E294-L296 PolarHBondContact O-N 2.85Å; E294-L297 VanDerWaalsContact O-CB 3.31Å; E294-L297 WeakPolarHBondContact O-CB 3.31Å; E294-L297 PolarHBondContact O-N 3.17Å; E294-E298 PolarHBondContact O-N 3.21Å |
| 295 | A | 92.9 | Very high | 89.3 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 3% | 0.033 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.8 | -34 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | V283 V290 P291 L292 N299 M302 | V283-A295 HydrophobicContact CB-CB 3.96Å; V283-A295 HydrophobicContact CG2-CB 3.56Å; V290-A295 HydrophobicContact CG1-CB 4.26Å; P291-A295 PolarHBondContact O-N 3.02Å; L292-A295 PolarHBondContact O-N 2.87Å; A295-N299 PolarHBondContact O-N 2.91Å; A295-M302 HydrophobicContact CB-CE 3.82Å; A295-M302 HydrophobicContact CB-SD 4.42Å |
| 296 | L | 93.4 | Very high | 88.6 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.8 | -27.9 | 174.5 | -77.6 | 170.4 | 0 | 0 | 0 | 112.9 | P240 F254 L292 G293 E294 N299 P300 M302 L304 A327 | P240-L296 HydrophobicContact CG-CB 3.71Å; P240-L296 HydrophobicContact CG-CD1 4.45Å; F254-L296 HydrophobicContact CE2-CD1 3.67Å; F254-L296 HydrophobicContact CZ-CD1 3.86Å; L292-L296 HydrophobicContact CD1-CD1 4.31Å; L292-L296 HydrophobicContact CD1-CG 4.43Å; L292-L296 HydrophobicContact CG-CD1 4.01Å; L292-L296 WeakPolarHBondContact O-CB 3.37Å; L292-L296 WeakPolarHBondContact O-CG 3.24Å; L292-L296 PolarHBondContact O-N 2.95Å; G293-L296 PolarHBondContact O-N 3.07Å; E294-L296 VanDerWaalsContact C-N 3.26Å; E294-L296 PolarHBondContact O-N 2.85Å; L296-N299 CarbonylContact O-C 3.56Å; L296-N299 VanDerWaalsContact O-C 3.25Å; L296-P300 WeakPolarHBondContact O-CA 3.22Å; L296-P300 VanDerWaalsContact O-N 3.09Å; L296-M302 HydrophobicContact CD2-CB 4.22Å; L296-M302 HydrophobicContact CD2-CE 3.63Å; L296-M302 HydrophobicContact CG-CE 3.69Å; L296-L304 HydrophobicContact CD1-CD1 4.49Å; L296-L304 HydrophobicContact CD2-CD2 4.27Å; L296-A327 HydrophobicContact CB-CB 4.45Å |
| 297 | L | 91.6 | Very high | 87.5 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 171.7 | -176.9 | 65.8 | 0 | 0 | 0 | 110.5 | P240 W243 E244 G293 E294 | P240-L297 HydrophobicContact CB-CB 4.11Å; P240-L297 HydrophobicContact CB-CD1 4.4Å; W243-L297 HydrophobicContact CB-CD2 3.77Å; W243-L297 HydrophobicContact CG-CD2 4.3Å; E244-L297 HydrophobicContact CG-CD1 3.94Å; E244-L297 WeakPolarHBondContact OE1-CD1 3.46Å; G293-L297 PolarHBondContact O-N 3.36Å; E294-L297 VanDerWaalsContact O-CB 3.31Å; E294-L297 WeakPolarHBondContact O-CB 3.31Å; E294-L297 PolarHBondContact O-N 3.17Å |
| 298 | E | 91.6 | Very high | 86 | Confident | 130 Ų | 130 | 63.7 Ų | 63.7 | 61% | 0.607 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.5 | -39.1 | 177.2 | -65.9 | -172.5 | 149.7 | 0 | 0 | 112.7 | E294 | E294-E298 PolarHBondContact O-N 3.21Å |
| 299 | N | 91.8 | Very high | 84.5 | Confident | 81 Ų | 81 | 65.5 Ų | 65.5 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | trans | -132.9 | 84.7 | 178.9 | -176 | 7.4 | 0 | 0 | 0 | 111.8 | A295 L296 K301 M302 | A295-N299 PolarHBondContact O-N 2.91Å; L296-N299 CarbonylContact O-C 3.56Å; L296-N299 VanDerWaalsContact O-C 3.25Å; N299-K301 PolarHBondContact O-N 3.09Å; N299-K301 PolarHBondContact OD1-N 3.3Å; N299-M302 HydrophobicContact CB-CB 4.21Å; N299-M302 WeakPolarHBondContact O-CB 3.29Å; N299-M302 PolarHBondContact O-N 3.46Å; N299-M302 PolarHBondContact OD1-N 3.22Å | ||
| 300 | P | 90 | Very high | 82.7 | Confident | 84 Ų | 84 | 72.8 Ų | 72.8 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.6 | -178.6 | -26.5 | 35.3 | 0 | 0 | 0 | 115 | L296 A327 | L296-P300 WeakPolarHBondContact O-CA 3.22Å; L296-P300 VanDerWaalsContact O-N 3.09Å; P300-A327 HydrophobicContact CB-CB 4.03Å |
| 301 | K | 88 | Confident | 81.3 | Confident | 187 Ų | 187 | 79.8 Ų | 79.8 | 81% | 0.813 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 7.7 | 178.1 | -64.1 | -176.2 | -179.4 | 178 | 0 | 112.9 | N299 E303 | N299-K301 PolarHBondContact O-N 3.09Å; N299-K301 PolarHBondContact OD1-N 3.3Å; K301-E303 PolarHBondContact O-N 3.42Å |
| 302 | M | 88.2 | Confident | 79.9 | Confident | 44 Ų | 44 | 80.7 Ų | 80.7 | 22% | 0.217 | 40% | 0.4 | C | S | . | . | trans | -57.8 | 122.1 | 178.2 | -179.7 | 173.6 | 57.4 | 0 | 0 | 110.4 | V283 L292 A295 L296 N299 L304 | V283-M302 HydrophobicContact CG2-CE 3.86Å; V283-M302 HydrophobicContact CG2-SD 3.86Å; L292-M302 HydrophobicContact CD1-CE 4.1Å; A295-M302 HydrophobicContact CB-CE 3.82Å; A295-M302 HydrophobicContact CB-SD 4.42Å; L296-M302 HydrophobicContact CD2-CB 4.22Å; L296-M302 HydrophobicContact CD2-CE 3.63Å; L296-M302 HydrophobicContact CG-CE 3.69Å; N299-M302 HydrophobicContact CB-CB 4.21Å; N299-M302 WeakPolarHBondContact O-CB 3.29Å; N299-M302 PolarHBondContact O-N 3.46Å; N299-M302 PolarHBondContact OD1-N 3.22Å; M302-L304 HydrophobicContact CE-CD2 3.85Å; M302-L304 PolarHBondContact O-N 3.29Å | ||
| 303 | E | 83.5 | Confident | 79 | Confident | 166 Ų | 166 | 82.4 Ų | 82.4 | 78% | 0.776 | 41% | 0.408 | S | S | * | . | trans | -77.1 | 112.7 | 175.8 | -71.8 | -168.3 | 177.7 | 0 | 0 | 110.7 | K301 L305 | K301-E303 PolarHBondContact O-N 3.42Å; E303-L305 PolarHBondContact O-N 3.48Å; E303-L305 VanDerWaalsContact O-N 3.1Å | ||
| 304 | L | 82.5 | Confident | 78.4 | Confident | 15 Ų | 15 | 84.2 Ų | 84.2 | 8% | 0.079 | 42% | 0.418 | C | S | . | . | trans | -72 | 106.7 | 173.5 | -56 | -176 | 0 | 0 | 0 | 110.1 | W261 L292 L296 M302 I306 R322 L325 | W261-L304 HydrophobicContact CH2-CB 4.32Å; W261-L304 HydrophobicContact CZ3-CB 4.46Å; W261-L304 HydrophobicContact CZ3-CD1 4.31Å; W261-L304 HydrophobicContact CZ3-CD2 4.48Å; L292-L304 HydrophobicContact CD1-CD2 3.71Å; L292-L304 HydrophobicContact CD2-CD1 4.49Å; L296-L304 HydrophobicContact CD1-CD1 4.49Å; L296-L304 HydrophobicContact CD2-CD2 4.27Å; M302-L304 HydrophobicContact CE-CD2 3.85Å; M302-L304 PolarHBondContact O-N 3.29Å; L304-I306 HydrophobicContact CB-CG1 4.48Å; L304-I306 PolarHBondContact O-N 2.98Å; L304-R322 PolarHBondContact O-NH2 3.32Å; L304-L325 HydrophobicContact CD1-CB 3.64Å; L304-L325 HydrophobicContact CD1-CD1 3.93Å; L304-L325 HydrophobicContact CD1-CG 4.42Å | ||
| 305 | L | 77.5 | Confident | 78.1 | Confident | 137 Ų | 137 | 85.5 Ų | 85.5 | 72% | 0.717 | 43% | 0.434 | S | S | * | . | trans | -79.7 | 72.9 | 173 | -65.6 | 178.4 | 0 | 0 | 0 | 110.1 | E303 P307 | E303-L305 PolarHBondContact O-N 3.48Å; E303-L305 VanDerWaalsContact O-N 3.1Å; L305-P307 WeakPolarHBondContact O-CD 3.27Å; L305-P307 VanDerWaalsContact O-N 3.1Å | ||
| 306 | I | 72.1 | Confident | 77.9 | Confident | 2 Ų | 2 | 89.6 Ų | 89.6 | 1% | 0.01 | 45% | 0.452 | C | S | . | . | trans | -64.5 | 109.4 | 171.2 | -60.2 | 166.2 | 0 | 0 | 0 | 107.8 | W261 L304 A308 M313 K318 I321 R322 | W261-I306 HydrophobicContact CD2-CG1 4.02Å; W261-I306 HydrophobicContact CE3-CG1 4.44Å; W261-I306 HydrophobicContact CH2-CG1 4.18Å; W261-I306 HydrophobicContact CZ2-CB 4.23Å; W261-I306 HydrophobicContact CZ2-CG1 3.73Å; L304-I306 HydrophobicContact CB-CG1 4.48Å; L304-I306 PolarHBondContact O-N 2.98Å; I306-A308 PolarHBondContact O-N 2.88Å; I306-M313 HydrophobicContact CG2-CE 3.63Å; I306-K318 HydrophobicContact CB-CG 4.48Å; I306-K318 HydrophobicContact CG2-CG 4.31Å; I306-K318 WeakPolarHBondContact O-CE 3.29Å; I306-K318 PolarHBondContact O-NZ 3.32Å; I306-I321 HydrophobicContact CD1-CB 4.4Å; I306-I321 HydrophobicContact CD1-CG2 3.85Å; I306-R322 HydrophobicContact CD1-CB 4.14Å | ||
| 307 | P | 63.5 | Low | 77.7 | Confident | 60 Ų | 60 | 89.8 Ų | 89.8 | 39% | 0.39 | 45% | 0.453 | S | S | . | . | trans | -58.6 | 131 | -174.2 | -21.8 | 32.9 | 0 | 0 | 0 | 110.1 | L305 R309 | L305-P307 WeakPolarHBondContact O-CD 3.27Å; L305-P307 VanDerWaalsContact O-N 3.1Å; P307-R309 VanDerWaalsContact C-N 3.25Å; P307-R309 PolarHBondContact O-N 3.29Å | ||
| 308 | A | 53 | Low | 77.6 | Confident | 78 Ų | 78 | 89.4 Ų | 89.4 | 65% | 0.645 | 45% | 0.448 | S | S | * | . | trans | -91.5 | 59.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I306 K310 | I306-A308 PolarHBondContact O-N 2.88Å; A308-K310 PolarHBondContact O-N 2.92Å | ||
| 309 | R | 58.8 | Low | 77.7 | Confident | 176 Ų | 176 | 87.2 Ų | 87.2 | 66% | 0.664 | 44% | 0.438 | S | S | * | . | trans | -54.5 | 118.3 | 172 | -81.3 | -176.7 | 173 | 170.9 | 1.1 | 106.8 | P307 K311 S312 | P307-R309 VanDerWaalsContact C-N 3.25Å; P307-R309 PolarHBondContact O-N 3.29Å; R309-K311 PolarHBondContact O-N 3.01Å; R309-S312 PolarHBondContact O-N 3.27Å; R309-S312 PolarHBondContact O-OG 2.9Å | ||
| 310 | K | 54.1 | Low | 77.8 | Confident | 209 Ų | 209 | 83.3 Ų | 83.3 | 91% | 0.909 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 116.9 | -173.3 | -85.1 | 179.8 | 176.4 | 176.8 | 0 | 108.5 | A308 | A308-K310 PolarHBondContact O-N 2.92Š|
| 311 | K | 61.8 | Low | 78.1 | Confident | 163 Ų | 163 | 79.3 Ų | 79.3 | 71% | 0.709 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 8.1 | -177.7 | -47.5 | 179.6 | 176 | -175.2 | 0 | 117.9 | R151 R309 | R151-K311 VanDerWaalsContact CD-O 3.23Å; R151-K311 WeakPolarHBondContact CD-O 3.41Å; R151-K311 PolarHBondContact NE-O 3.02Å; R151-K311 PolarHBondContact NH1-O 3.4Å; R151-K311 VanDerWaalsContact NH1-O 3.09Å; R151-K311 PolarHBondContact NH2-O 3.27Å; R309-K311 PolarHBondContact O-N 3.01Å |
| 312 | S | 64.2 | Low | 78.3 | Confident | 29 Ų | 29 | 75 Ų | 75 | 20% | 0.203 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -75.8 | -38.5 | 173.1 | 70.1 | 0 | 0 | 0 | 0 | 112.7 | E265 R309 | E265-S312 VanDerWaalsContact OE1-CB 3.27Å; E265-S312 WeakPolarHBondContact OE1-CB 3.07Å; E265-S312 PolarHBondContact OE1-OG 3.13Å; R309-S312 PolarHBondContact O-N 3.27Å; R309-S312 PolarHBondContact O-OG 2.9Å |
| 313 | M | 74.3 | Confident | 78.7 | Confident | 38 Ų | 38 | 75.2 Ų | 75.2 | 19% | 0.187 | 37% | 0.371 | C | S | . | . | trans | -157.1 | 145.2 | -169.3 | -176.7 | 169 | 54.3 | 0 | 0 | 112.7 | V264 I306 M317 K318 I321 | V264-M313 HydrophobicContact CG1-CB 3.92Å; V264-M313 HydrophobicContact CG1-CE 4.47Å; V264-M313 HydrophobicContact CG1-SD 4.18Å; I306-M313 HydrophobicContact CG2-CE 3.63Å; M313-M317 HydrophobicContact CG-CB 3.56Å; M313-M317 HydrophobicContact CG-CG 3.63Å; M313-M317 HydrophobicContact SD-CB 3.86Å; M313-M317 HydrophobicContact SD-CG 3.39Å; M313-M317 WeakPolarHBondContact SD-CG 3.15Å; M313-K318 HydrophobicContact CE-CB 3.85Å; M313-K318 HydrophobicContact CE-CG 4.15Å; M313-I321 HydrophobicContact CE-CD1 4.23Å; M313-I321 HydrophobicContact SD-CD1 3.51Å; M313-I321 VanDerWaalsContact SD-CD1 3.51Å | ||
| 314 | N | 81.4 | Confident | 79.4 | Confident | 38 Ų | 38 | 67.3 Ų | 67.3 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | trans | -79.1 | 163.9 | 176 | 77.5 | 54.2 | 0 | 0 | 0 | 112.8 | H316 M317 K318 I345 E349 | N314-H316 VanDerWaalsContact C-N 3.3Å; N314-H316 PolarHBondContact O-N 2.73Å; N314-H316 WeakPolarHBondContact OD1-CA 3.38Å; N314-H316 WeakPolarHBondContact OD1-CB 3.49Å; N314-H316 PolarHBondContact OD1-N 2.91Å; N314-M317 PolarHBondContact O-N 3.08Å; N314-M317 PolarHBondContact OD1-N 2.61Å; N314-K318 PolarHBondContact O-N 2.67Å; N314-I345 WeakPolarHBondContact ND2-CG2 3.31Å; N314-E349 VanDerWaalsContact ND2-CD 3.34Å; N314-E349 WeakPolarHBondContact ND2-CG 3.14Å; N314-E349 PolarHBondContact ND2-OE1 3.41Å | ||
| 315 | S | 85.8 | Confident | 80 | Confident | 90 Ų | 90 | 66.7 Ų | 66.7 | 63% | 0.629 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.6 | -32.7 | -177.2 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | Q319 | S315-Q319 WeakPolarHBondContact O-CB 3.41Å; S315-Q319 PolarHBondContact O-N 3.24Å |
| 316 | H | 89.7 | Confident | 80.8 | Confident | 91 Ų | 91 | 61 Ų | 61 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.8 | -41.5 | -179.6 | -61.2 | 83.2 | 0 | 0 | 0 | 111.6 | N314 Q319 L320 I345 R348 | N314-H316 VanDerWaalsContact C-N 3.3Å; N314-H316 PolarHBondContact O-N 2.73Å; N314-H316 WeakPolarHBondContact OD1-CA 3.38Å; N314-H316 WeakPolarHBondContact OD1-CB 3.49Å; N314-H316 PolarHBondContact OD1-N 2.91Å; H316-Q319 PolarHBondContact O-N 3.32Å; H316-L320 WeakPolarHBondContact O-CB 3.47Å; H316-L320 PolarHBondContact O-N 2.96Å; H316-I345 HydrophobicContact CB-CD1 4.05Å; H316-I345 HydrophobicContact CB-CG1 3.82Å; H316-I345 HydrophobicContact CB-CG2 4.48Å; H316-R348 PolarHBondContact NE2-NH1 3.21Å |
| 317 | M | 89.6 | Confident | 81.8 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 174.6 | -175.2 | 63.6 | 74.4 | 0 | 0 | 110.7 | M158 M313 N314 Q319 L320 I321 L342 I345 | M158-M317 HydrophobicContact SD-CE 3.46Å; M158-M317 WeakPolarHBondContact SD-CE 3.36Å; M158-M317 HydrophobicContact SD-CG 4.4Å; M158-M317 HydrophobicContact SD-SD 3.66Å; M158-M317 VanDerWaalsContact SD-SD 3.66Å; M313-M317 HydrophobicContact CG-CB 3.56Å; M313-M317 HydrophobicContact CG-CG 3.63Å; M313-M317 HydrophobicContact SD-CB 3.86Å; M313-M317 HydrophobicContact SD-CG 3.39Å; M313-M317 WeakPolarHBondContact SD-CG 3.15Å; N314-M317 PolarHBondContact O-N 3.08Å; N314-M317 PolarHBondContact OD1-N 2.61Å; M317-Q319 VanDerWaalsContact C-N 3.29Å; M317-Q319 PolarHBondContact O-N 3.45Å; M317-L320 PolarHBondContact O-N 3.33Å; M317-L320 HydrophobicContact SD-CD2 4.24Å; M317-I321 HydrophobicContact CG-CD1 4.22Å; M317-I321 WeakPolarHBondContact O-CG1 3.45Å; M317-I321 PolarHBondContact O-N 2.82Å; M317-I321 HydrophobicContact SD-CG1 4.46Å; M317-L342 HydrophobicContact CE-CD2 3.69Å; M317-L342 HydrophobicContact SD-CD2 4Å; M317-I345 HydrophobicContact CB-CG2 4.24Å; M317-I345 HydrophobicContact CE-CG2 4Å |
| 318 | K | 89.4 | Confident | 83.2 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 22% | 0.222 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.7 | -45.1 | 173.6 | -174.5 | 176.6 | -177.9 | 165.3 | 0 | 111.8 | I306 M313 N314 R322 | I306-K318 HydrophobicContact CB-CG 4.48Å; I306-K318 HydrophobicContact CG2-CG 4.31Å; I306-K318 WeakPolarHBondContact O-CE 3.29Å; I306-K318 PolarHBondContact O-NZ 3.32Å; M313-K318 HydrophobicContact CE-CB 3.85Å; M313-K318 HydrophobicContact CE-CG 4.15Å; N314-K318 PolarHBondContact O-N 2.67Å; K318-R322 WeakPolarHBondContact O-CB 3.47Å; K318-R322 PolarHBondContact O-N 3.13Å; K318-R322 VanDerWaalsContact O-N 3.08Å |
| 319 | Q | 92.3 | Very high | 85.1 | Confident | 84 Ų | 84 | 60 Ų | 60 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 178.5 | -177.1 | 57.4 | 34.2 | 0 | 0 | 111.5 | S315 H316 M317 R322 E323 | S315-Q319 WeakPolarHBondContact O-CB 3.41Å; S315-Q319 PolarHBondContact O-N 3.24Å; H316-Q319 PolarHBondContact O-N 3.32Å; M317-Q319 VanDerWaalsContact C-N 3.29Å; M317-Q319 PolarHBondContact O-N 3.45Å; Q319-R322 PolarHBondContact O-N 3.45Å; Q319-E323 VanDerWaalsContact CG-OE1 3.32Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.44Å; Q319-E323 PolarHBondContact NE2-OE1 3.09Å; Q319-E323 WeakPolarHBondContact O-CG 3.22Å; Q319-E323 PolarHBondContact O-N 3.4Å |
| 320 | L | 95 | Very high | 86.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 176.3 | 176.4 | 61.5 | 0 | 0 | 0 | 111.9 | H316 M317 R322 E323 M324 P333 L338 R341 L342 I345 | H316-L320 WeakPolarHBondContact O-CB 3.47Å; H316-L320 PolarHBondContact O-N 2.96Å; M317-L320 PolarHBondContact O-N 3.33Å; M317-L320 HydrophobicContact SD-CD2 4.24Å; L320-R322 VanDerWaalsContact C-N 3.26Å; L320-R322 PolarHBondContact O-N 3.42Å; L320-E323 PolarHBondContact O-N 3.26Å; L320-E323 VanDerWaalsContact O-N 3.16Å; L320-M324 HydrophobicContact CD1-CG 4.29Å; L320-M324 HydrophobicContact CD1-SD 4.36Å; L320-M324 HydrophobicContact CG-CG 4.47Å; L320-M324 HydrophobicContact CG-SD 4.02Å; L320-M324 VanDerWaalsContact O-CG 3.28Å; L320-M324 WeakPolarHBondContact O-CG 3.46Å; L320-M324 PolarHBondContact O-N 3.3Å; L320-P333 HydrophobicContact CD1-CG 4.2Å; L320-L338 HydrophobicContact CD1-CD1 3.89Å; L320-L338 HydrophobicContact CD2-CD1 3.85Å; L320-L338 HydrophobicContact CG-CD1 4.14Å; L320-R341 HydrophobicContact CD1-CB 4.47Å; L320-R341 HydrophobicContact CD2-CB 4.36Å; L320-L342 HydrophobicContact CD2-CD2 3.7Å; L320-L342 HydrophobicContact CD2-CG 3.99Å; L320-I345 HydrophobicContact CB-CD1 4.23Å; L320-I345 HydrophobicContact CD2-CD1 3.87Å |
| 321 | I | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 177.3 | -69.2 | 177.9 | 0 | 0 | 0 | 110.8 | F260 W261 I306 M313 M317 E323 M324 L325 | F260-I321 HydrophobicContact CB-CD1 3.94Å; F260-I321 HydrophobicContact CB-CG1 4.12Å; W261-I321 HydrophobicContact CB-CG2 3.94Å; W261-I321 HydrophobicContact CG-CG2 4.41Å; I306-I321 HydrophobicContact CD1-CB 4.4Å; I306-I321 HydrophobicContact CD1-CG2 3.85Å; M313-I321 HydrophobicContact CE-CD1 4.23Å; M313-I321 HydrophobicContact SD-CD1 3.51Å; M313-I321 VanDerWaalsContact SD-CD1 3.51Å; M317-I321 HydrophobicContact CG-CD1 4.22Å; M317-I321 WeakPolarHBondContact O-CG1 3.45Å; M317-I321 PolarHBondContact O-N 2.82Å; M317-I321 HydrophobicContact SD-CG1 4.46Å; I321-E323 VanDerWaalsContact C-N 3.33Å; I321-E323 PolarHBondContact O-N 2.9Å; I321-M324 PolarHBondContact O-N 3.49Å; I321-L325 HydrophobicContact CG2-CD1 3.77Å; I321-L325 HydrophobicContact CG2-CG 4.41Å; I321-L325 WeakPolarHBondContact O-CB 2.96Å; I321-L325 VanDerWaalsContact O-CG 3.31Å; I321-L325 WeakPolarHBondContact O-CG 3.29Å; I321-L325 PolarHBondContact O-N 2.64Å |
| 322 | R | 93.9 | Very high | 90.2 | Very high | 95 Ų | 95 | 47.1 Ų | 47.1 | 36% | 0.358 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64 | -38 | 178.7 | -169.6 | 176.8 | -90.8 | 158.1 | -18 | 112.3 | L304 I306 K318 Q319 L320 L325 S326 | L304-R322 PolarHBondContact O-NH2 3.32Å; I306-R322 HydrophobicContact CD1-CB 4.14Å; K318-R322 WeakPolarHBondContact O-CB 3.47Å; K318-R322 PolarHBondContact O-N 3.13Å; K318-R322 VanDerWaalsContact O-N 3.08Å; Q319-R322 PolarHBondContact O-N 3.45Å; L320-R322 VanDerWaalsContact C-N 3.26Å; L320-R322 PolarHBondContact O-N 3.42Å; R322-L325 PolarHBondContact O-N 3.3Å; R322-S326 PolarHBondContact O-N 3.01Å |
| 323 | E | 95.7 | Very high | 91.8 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 23% | 0.229 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.6 | -40.2 | 174.7 | -71.2 | 166 | -159.2 | 0 | 0 | 112.2 | Q319 L320 I321 L325 S326 R332 R341 | Q319-E323 VanDerWaalsContact CG-OE1 3.32Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.44Å; Q319-E323 PolarHBondContact NE2-OE1 3.09Å; Q319-E323 WeakPolarHBondContact O-CG 3.22Å; Q319-E323 PolarHBondContact O-N 3.4Å; L320-E323 PolarHBondContact O-N 3.26Å; L320-E323 VanDerWaalsContact O-N 3.16Å; I321-E323 VanDerWaalsContact C-N 3.33Å; I321-E323 PolarHBondContact O-N 2.9Å; E323-L325 PolarHBondContact O-N 2.81Å; E323-S326 WeakPolarHBondContact O-CB 3.11Å; E323-S326 PolarHBondContact O-N 3.29Å; E323-S326 VanDerWaalsContact O-N 3.15Å; E323-R332 WeakPolarHBondContact O-CG 3.43Å; E323-R341 IonicContact OE1-NH2 3.39Å; E323-R341 IonicContact OE2-CZ 3.37Å; E323-R341 IonicContact OE2-NH1 3.96Å; E323-R341 PolarHBondContact OE2-NH1 3.01Å; E323-R341 IonicContact OE2-NH2 2.83Å; E323-R341 PolarHBondContact OE2-NH2 3.3Å |
| 324 | M | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -34 | 173.5 | -66.8 | 169.2 | 74.9 | 0 | 0 | 112 | I253 F254 L256 G257 F260 L320 I321 R332 P333 L338 | I253-M324 HydrophobicContact CG2-CB 4.11Å; I253-M324 HydrophobicContact CG2-CE 4.41Å; I253-M324 HydrophobicContact CG2-CG 3.94Å; I253-M324 WeakPolarHBondContact O-CE 2.95Å; F254-M324 WeakPolarHBondContact CA-O 3.43Å; L256-M324 HydrophobicContact CB-CE 3.59Å; G257-M324 VanDerWaalsContact N-CE 3.35Å; F260-M324 HydrophobicContact CD2-CE 3.81Å; F260-M324 HydrophobicContact CD2-SD 3.94Å; F260-M324 HydrophobicContact CE2-CE 3.79Å; F260-M324 HydrophobicContact CE2-SD 4.16Å; L320-M324 HydrophobicContact CD1-CG 4.29Å; L320-M324 HydrophobicContact CD1-SD 4.36Å; L320-M324 HydrophobicContact CG-CG 4.47Å; L320-M324 HydrophobicContact CG-SD 4.02Å; L320-M324 VanDerWaalsContact O-CG 3.28Å; L320-M324 WeakPolarHBondContact O-CG 3.46Å; L320-M324 PolarHBondContact O-N 3.3Å; I321-M324 PolarHBondContact O-N 3.49Å; M324-R332 WeakPolarHBondContact O-CD 3.39Å; M324-P333 HydrophobicContact CG-CG 4.17Å; M324-L338 HydrophobicContact CE-CD1 3.88Å; M324-L338 HydrophobicContact CE-CD2 3.82Å; M324-L338 HydrophobicContact CG-CD1 4.27Å; M324-L338 HydrophobicContact SD-CD1 3.6Å |
| 325 | L | 96.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 13.2 | 179.7 | -65.6 | 175 | 0 | 0 | 0 | 113.8 | F254 V258 W261 L292 L304 I321 R322 E323 A327 | F254-L325 HydrophobicContact CD2-CD2 4.06Å; F254-L325 HydrophobicContact CE1-CD2 4.38Å; F254-L325 HydrophobicContact CE2-CB 4.41Å; F254-L325 HydrophobicContact CE2-CD2 3.86Å; F254-L325 HydrophobicContact CG-CD2 4.4Å; F254-L325 HydrophobicContact CZ-CD2 4.03Å; V258-L325 HydrophobicContact CG2-CD2 3.76Å; W261-L325 HydrophobicContact CD2-CD1 4.35Å; W261-L325 HydrophobicContact CE3-CD1 3.51Å; W261-L325 HydrophobicContact CZ3-CD1 4.1Å; L292-L325 HydrophobicContact CD2-CD1 4.16Å; L292-L325 HydrophobicContact CD2-CD2 3.99Å; L304-L325 HydrophobicContact CD1-CB 3.64Å; L304-L325 HydrophobicContact CD1-CD1 3.93Å; L304-L325 HydrophobicContact CD1-CG 4.42Å; I321-L325 HydrophobicContact CG2-CD1 3.77Å; I321-L325 HydrophobicContact CG2-CG 4.41Å; I321-L325 WeakPolarHBondContact O-CB 2.96Å; I321-L325 VanDerWaalsContact O-CG 3.31Å; I321-L325 WeakPolarHBondContact O-CG 3.29Å; I321-L325 PolarHBondContact O-N 2.64Å; R322-L325 PolarHBondContact O-N 3.3Å; E323-L325 PolarHBondContact O-N 2.81Å; L325-A327 PolarHBondContact O-N 2.62Å |
| 326 | S | 95.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | trans | -60.9 | 137.3 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | R322 E323 N328 E331 R332 | R322-S326 PolarHBondContact O-N 3.01Å; E323-S326 WeakPolarHBondContact O-CB 3.11Å; E323-S326 PolarHBondContact O-N 3.29Å; E323-S326 VanDerWaalsContact O-N 3.15Å; S326-N328 PolarHBondContact O-N 2.84Å; S326-N328 PolarHBondContact OG-N 2.85Å; S326-N328 PolarHBondContact OG-O 3.18Å; S326-E331 PolarHBondContact OG-OE2 3.49Å; S326-R332 VanDerWaalsContact O-CZ 3.29Å; S326-R332 PolarHBondContact O-NE 3.46Å; S326-R332 PolarHBondContact O-NH2 3.38Å | ||
| 327 | A | 92.9 | Very high | 94.4 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -62.3 | -33.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L296 P300 L325 P329 | L296-A327 HydrophobicContact CB-CB 4.45Å; P300-A327 HydrophobicContact CB-CB 4.03Å; L325-A327 PolarHBondContact O-N 2.62Å; A327-P329 WeakPolarHBondContact O-CD 3.44Å |
| 328 | N | 92.4 | Very high | 94.8 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -83.4 | 114.1 | 174.8 | -179.6 | 0.5 | 0 | 0 | 0 | 110.4 | S326 Q330 E331 | S326-N328 PolarHBondContact O-N 2.84Å; S326-N328 PolarHBondContact OG-N 2.85Å; S326-N328 PolarHBondContact OG-O 3.18Å; N328-Q330 PolarHBondContact O-N 3.32Å; N328-Q330 VanDerWaalsContact O-N 3.08Å; N328-Q330 PolarHBondContact OD1-N 3.47Å; N328-Q330 VanDerWaalsContact OD1-N 3.13Å; N328-E331 HydrophobicContact CB-CG 4.07Å; N328-E331 PolarHBondContact ND2-OE1 3.26Å; N328-E331 PolarHBondContact O-N 3.34Å |
| 329 | P | 92.8 | Very high | 95.2 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.6 | -176.7 | -22.4 | 35 | 0 | 0 | 0 | 114 | E241 K250 A327 E331 R332 | E241-P329 HydrophobicContact CB-CG 4.23Å; E241-P329 HydrophobicContact CG-CG 3.88Å; E241-P329 WeakPolarHBondContact OE1-CG 3.41Å; K250-P329 HydrophobicContact CB-CB 3.93Å; K250-P329 HydrophobicContact CG-CB 4.39Å; K250-P329 WeakPolarHBondContact CG-O 3.42Å; K250-P329 PolarHBondContact NZ-O 2.04Å; A327-P329 WeakPolarHBondContact O-CD 3.44Å; P329-E331 VanDerWaalsContact C-N 3.31Å; P329-R332 PolarHBondContact O-N 2.88Å |
| 330 | Q | 91.9 | Very high | 95.4 | Very high | 152 Ų | 152 | 46.3 Ų | 46.3 | 71% | 0.71 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -21.5 | 178.9 | -60 | -60.8 | -3.1 | 0 | 0 | 113.3 | N328 R332 | N328-Q330 PolarHBondContact O-N 3.32Å; N328-Q330 VanDerWaalsContact O-N 3.08Å; N328-Q330 PolarHBondContact OD1-N 3.47Å; N328-Q330 VanDerWaalsContact OD1-N 3.13Å; Q330-R332 VanDerWaalsContact C-N 3.34Å |
| 331 | E | 94 | Very high | 95.5 | Very high | 121 Ų | 121 | 48.6 Ų | 48.6 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -14.7 | 176.1 | -66.6 | 173.2 | -173.9 | 0 | 0 | 112.5 | S326 N328 P329 | S326-E331 PolarHBondContact OG-OE2 3.49Å; N328-E331 HydrophobicContact CB-CG 4.07Å; N328-E331 PolarHBondContact ND2-OE1 3.26Å; N328-E331 PolarHBondContact O-N 3.34Å; P329-E331 VanDerWaalsContact C-N 3.31Å |
| 332 | R | 96.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -73.4 | 141.5 | 175.4 | -55.8 | -178.2 | -164.7 | 143.7 | 12.8 | 109.7 | E241 K250 I253 E323 M324 S326 P329 Q330 | E241-R332 IonicContact OE1-CZ 3.88Å; E241-R332 IonicContact OE1-NH1 3.94Å; E241-R332 PolarHBondContact OE1-NH1 3.46Å; E241-R332 IonicContact OE1-NH2 2.68Å; E241-R332 IonicContact OE2-CZ 3.09Å; E241-R332 IonicContact OE2-NH1 3.71Å; E241-R332 PolarHBondContact OE2-NH1 3Å; E241-R332 IonicContact OE2-NH2 2.77Å; E241-R332 PolarHBondContact OE2-NH2 3.27Å; K250-R332 HydrophobicContact CD-CB 4.27Å; K250-R332 PolarHBondContact NZ-O 3.1Å; K250-R332 PolarHBondContact O-NH1 3.43Å; I253-R332 HydrophobicContact CG2-CB 4.14Å; E323-R332 WeakPolarHBondContact O-CG 3.43Å; M324-R332 WeakPolarHBondContact O-CD 3.39Å; S326-R332 VanDerWaalsContact O-CZ 3.29Å; S326-R332 PolarHBondContact O-NE 3.46Å; S326-R332 PolarHBondContact O-NH2 3.38Å; P329-R332 PolarHBondContact O-N 2.88Å; Q330-R332 VanDerWaalsContact C-N 3.34Å |
| 333 | P | 97.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 156.3 | 169.8 | 28.4 | -35.2 | 0 | 0 | 0 | 110.4 | I253 L320 M324 E337 L338 | I253-P333 HydrophobicContact CG2-CG 4.23Å; L320-P333 HydrophobicContact CD1-CG 4.2Å; M324-P333 HydrophobicContact CG-CG 4.17Å; P333-E337 HydrophobicContact CB-CB 4.06Å; P333-E337 HydrophobicContact CB-CG 4.25Å; P333-L338 HydrophobicContact CG-CB 4.5Å |
| 334 | D | 96.5 | Very high | 95.4 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 170.7 | 162.5 | 69.9 | 42.1 | 0 | 0 | 0 | 111.1 | F336 E337 L338 | D334-F336 VanDerWaalsContact C-N 3.27Å; D334-F336 PolarHBondContact O-N 3.04Å; D334-F336 WeakPolarHBondContact OD1-CA 3.36Å; D334-F336 WeakPolarHBondContact OD1-CB 3.18Å; D334-F336 PolarHBondContact OD1-N 3.33Å; D334-E337 PolarHBondContact O-N 2.98Å; D334-E337 PolarHBondContact OD1-N 3.37Å; D334-L338 WeakPolarHBondContact O-CB 3.45Å; D334-L338 PolarHBondContact O-N 2.91Å |
| 335 | A | 96.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -31 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L165 A166 H169 I253 E339 | L165-A335 HydrophobicContact CB-CB 4.45Å; L165-A335 HydrophobicContact CD2-CB 4.27Å; L165-A335 HydrophobicContact CG-CB 3.92Å; A166-A335 HydrophobicContact CB-CB 4.38Å; H169-A335 HydrophobicContact CB-CB 4.13Å; H169-A335 WeakPolarHBondContact ND1-CB 3.48Å; I253-A335 HydrophobicContact CD1-CB 4.06Å; A335-E339 PolarHBondContact O-N 3Å |
| 336 | F | 95.9 | Very high | 94.7 | Very high | 144 Ų | 144 | 52.9 Ų | 52.9 | 63% | 0.632 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -74.4 | -43.1 | 178.6 | -179.4 | -101 | 0 | 0 | 0 | 111.2 | D334 L338 E339 L340 | D334-F336 VanDerWaalsContact C-N 3.27Å; D334-F336 PolarHBondContact O-N 3.04Å; D334-F336 WeakPolarHBondContact OD1-CA 3.36Å; D334-F336 WeakPolarHBondContact OD1-CB 3.18Å; D334-F336 PolarHBondContact OD1-N 3.33Å; F336-L338 VanDerWaalsContact C-N 3.3Å; F336-L338 PolarHBondContact O-N 3.49Å; F336-E339 PolarHBondContact O-N 3.01Å; F336-L340 PolarHBondContact O-N 3.15Å; F336-L340 VanDerWaalsContact O-N 3.09Å |
| 337 | E | 97.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 172.8 | -165.9 | -161.7 | 148.1 | 0 | 0 | 110.9 | P333 D334 L340 R341 | P333-E337 HydrophobicContact CB-CB 4.06Å; P333-E337 HydrophobicContact CB-CG 4.25Å; D334-E337 PolarHBondContact O-N 2.98Å; D334-E337 PolarHBondContact OD1-N 3.37Å; E337-L340 PolarHBondContact O-N 3.29Å; E337-R341 HydrophobicContact CG-CG 4.4Å; E337-R341 WeakPolarHBondContact O-CB 3.33Å; E337-R341 VanDerWaalsContact O-CG 3.24Å; E337-R341 WeakPolarHBondContact O-CG 3.26Å; E337-R341 PolarHBondContact O-N 3.47Å; E337-R341 VanDerWaalsContact OE1-CD 3.32Å; E337-R341 WeakPolarHBondContact OE1-CD 3.41Å; E337-R341 IonicContact OE1-CZ 3.72Å; E337-R341 IonicContact OE1-NH1 3.29Å; E337-R341 PolarHBondContact OE1-NH1 3.31Å |
| 338 | L | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.3 | -52.6 | 175.8 | 174.7 | 62 | 0 | 0 | 0 | 111.5 | I253 L256 L320 M324 P333 D334 F336 L340 R341 L342 | I253-L338 HydrophobicContact CD1-CD2 3.87Å; L256-L338 HydrophobicContact CD1-CD2 3.97Å; L320-L338 HydrophobicContact CD1-CD1 3.89Å; L320-L338 HydrophobicContact CD2-CD1 3.85Å; L320-L338 HydrophobicContact CG-CD1 4.14Å; M324-L338 HydrophobicContact CE-CD1 3.88Å; M324-L338 HydrophobicContact CE-CD2 3.82Å; M324-L338 HydrophobicContact CG-CD1 4.27Å; M324-L338 HydrophobicContact SD-CD1 3.6Å; P333-L338 HydrophobicContact CG-CB 4.5Å; D334-L338 WeakPolarHBondContact O-CB 3.45Å; D334-L338 PolarHBondContact O-N 2.91Å; F336-L338 VanDerWaalsContact C-N 3.3Å; F336-L338 PolarHBondContact O-N 3.49Å; L338-L340 PolarHBondContact O-N 3.2Å; L338-R341 PolarHBondContact O-N 3.05Å; L338-L342 HydrophobicContact CD1-CD1 3.9Å; L338-L342 HydrophobicContact CD1-CG 4.04Å; L338-L342 HydrophobicContact CG-CD1 3.92Å; L338-L342 HydrophobicContact CG-CG 4.48Å; L338-L342 VanDerWaalsContact O-CG 3.29Å; L338-L342 WeakPolarHBondContact O-CG 3.31Å; L338-L342 PolarHBondContact O-N 3.34Å |
| 339 | E | 97.8 | Very high | 92.4 | Very high | 52 Ų | 52 | 60.8 Ų | 60.8 | 24% | 0.243 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.2 | -50.1 | 178.3 | -177.6 | -177.9 | -147.9 | 0 | 0 | 111.2 | S163 A166 A335 F336 R341 L342 V343 | S163-E339 VanDerWaalsContact CA-OE1 3.28Å; S163-E339 WeakPolarHBondContact CA-OE1 3.43Å; S163-E339 VanDerWaalsContact CB-OE1 3.26Å; S163-E339 WeakPolarHBondContact CB-OE1 3.36Å; S163-E339 PolarHBondContact OG-OE1 3.31Å; A166-E339 HydrophobicContact CB-CB 4.09Å; A166-E339 WeakPolarHBondContact CB-OE2 3.31Å; A335-E339 PolarHBondContact O-N 3Å; F336-E339 PolarHBondContact O-N 3.01Å; E339-R341 VanDerWaalsContact C-N 3.32Å; E339-R341 PolarHBondContact O-N 3.35Å; E339-L342 PolarHBondContact O-N 3.21Å; E339-V343 WeakPolarHBondContact O-CG2 3.43Å; E339-V343 PolarHBondContact O-N 2.94Å; E339-V343 VanDerWaalsContact O-N 3.08Å |
| 340 | L | 96.5 | Very high | 90.8 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 38% | 0.377 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | -179.2 | -175.3 | 66.1 | 0 | 0 | 0 | 112.3 | F336 E337 L338 R344 | F336-L340 PolarHBondContact O-N 3.15Å; F336-L340 VanDerWaalsContact O-N 3.09Å; E337-L340 PolarHBondContact O-N 3.29Å; L338-L340 PolarHBondContact O-N 3.2Å; L340-R344 WeakPolarHBondContact O-CG 3.2Å; L340-R344 PolarHBondContact O-N 3.28Å; L340-R344 VanDerWaalsContact O-N 3.11Å |
| 341 | R | 96.6 | Very high | 88.9 | Confident | 48 Ų | 48 | 64 Ų | 64 | 18% | 0.181 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70 | -40.2 | 179.1 | -73.3 | 176.3 | 65.8 | 176.4 | -4.4 | 111.8 | L320 E323 E337 L338 E339 V343 R344 I345 | L320-R341 HydrophobicContact CD1-CB 4.47Å; L320-R341 HydrophobicContact CD2-CB 4.36Å; E323-R341 IonicContact OE1-NH2 3.39Å; E323-R341 IonicContact OE2-CZ 3.37Å; E323-R341 IonicContact OE2-NH1 3.96Å; E323-R341 PolarHBondContact OE2-NH1 3.01Å; E323-R341 IonicContact OE2-NH2 2.83Å; E323-R341 PolarHBondContact OE2-NH2 3.3Å; E337-R341 HydrophobicContact CG-CG 4.4Å; E337-R341 WeakPolarHBondContact O-CB 3.33Å; E337-R341 VanDerWaalsContact O-CG 3.24Å; E337-R341 WeakPolarHBondContact O-CG 3.26Å; E337-R341 PolarHBondContact O-N 3.47Å; E337-R341 VanDerWaalsContact OE1-CD 3.32Å; E337-R341 WeakPolarHBondContact OE1-CD 3.41Å; E337-R341 IonicContact OE1-CZ 3.72Å; E337-R341 IonicContact OE1-NH1 3.29Å; E337-R341 PolarHBondContact OE1-NH1 3.31Å; L338-R341 PolarHBondContact O-N 3.05Å; E339-R341 VanDerWaalsContact C-N 3.32Å; E339-R341 PolarHBondContact O-N 3.35Å; R341-V343 PolarHBondContact O-N 3.44Å; R341-R344 PolarHBondContact O-N 3.02Å; R341-I345 WeakPolarHBondContact O-CB 3.38Å; R341-I345 WeakPolarHBondContact O-CD1 3.17Å; R341-I345 WeakPolarHBondContact O-CG1 3.27Å; R341-I345 PolarHBondContact O-N 3.46Å |
| 342 | L | 95.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 174.9 | -73.1 | 168.4 | 0 | 0 | 0 | 111.4 | M158 L159 F260 M317 L320 L338 E339 R344 I345 A346 | M158-L342 HydrophobicContact CB-CD2 4.09Å; M158-L342 WeakPolarHBondContact O-CD1 3.43Å; L159-L342 HydrophobicContact CD2-CB 3.92Å; F260-L342 HydrophobicContact CE2-CD1 4.07Å; F260-L342 HydrophobicContact CE2-CD2 4.04Å; F260-L342 HydrophobicContact CZ-CD1 4.22Å; M317-L342 HydrophobicContact CE-CD2 3.69Å; M317-L342 HydrophobicContact SD-CD2 4Å; L320-L342 HydrophobicContact CD2-CD2 3.7Å; L320-L342 HydrophobicContact CD2-CG 3.99Å; L338-L342 HydrophobicContact CD1-CD1 3.9Å; L338-L342 HydrophobicContact CD1-CG 4.04Å; L338-L342 HydrophobicContact CG-CD1 3.92Å; L338-L342 HydrophobicContact CG-CG 4.48Å; L338-L342 VanDerWaalsContact O-CG 3.29Å; L338-L342 WeakPolarHBondContact O-CG 3.31Å; L338-L342 PolarHBondContact O-N 3.34Å; E339-L342 PolarHBondContact O-N 3.21Å; L342-R344 PolarHBondContact O-N 3.13Å; L342-I345 PolarHBondContact O-N 3.48Å; L342-A346 WeakPolarHBondContact O-CB 3.45Å; L342-A346 PolarHBondContact O-N 3.19Å |
| 343 | V | 94.4 | Very high | 84 | Confident | 68 Ų | 68 | 75.3 Ų | 75.3 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L159 E339 R341 I345 A346 C347 | L159-V343 HydrophobicContact CD2-CB 4.48Å; L159-V343 HydrophobicContact CD2-CG2 3.94Å; E339-V343 WeakPolarHBondContact O-CG2 3.43Å; E339-V343 PolarHBondContact O-N 2.94Å; E339-V343 VanDerWaalsContact O-N 3.08Å; R341-V343 PolarHBondContact O-N 3.44Å; V343-I345 VanDerWaalsContact C-N 3.31Å; V343-I345 PolarHBondContact O-N 3.37Å; V343-A346 PolarHBondContact O-N 3.19Å; V343-C347 PolarHBondContact O-N 2.65Å; V343-C347 PolarHBondContact O-SG 2.91Å |
| 344 | R | 93.5 | Very high | 81.1 | Confident | 142 Ų | 142 | 83.2 Ų | 83.2 | 54% | 0.536 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 178.1 | -74.5 | 173.6 | -179.3 | 174.8 | 1.4 | 112.6 | L340 R341 L342 R348 | L340-R344 WeakPolarHBondContact O-CG 3.2Å; L340-R344 PolarHBondContact O-N 3.28Å; L340-R344 VanDerWaalsContact O-N 3.11Å; R341-R344 PolarHBondContact O-N 3.02Å; L342-R344 PolarHBondContact O-N 3.13Å; R344-R348 WeakPolarHBondContact O-CG 3.34Å; R344-R348 PolarHBondContact O-N 3.5Å |
| 345 | I | 91.1 | Very high | 80.4 | Confident | 10 Ų | 10 | 84.6 Ų | 84.6 | 5% | 0.051 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.8 | -46.4 | 178.8 | -67.5 | 165.2 | 0 | 0 | 0 | 109.9 | N314 H316 M317 L320 R341 L342 V343 C347 R348 E349 | N314-I345 WeakPolarHBondContact ND2-CG2 3.31Å; H316-I345 HydrophobicContact CB-CD1 4.05Å; H316-I345 HydrophobicContact CB-CG1 3.82Å; H316-I345 HydrophobicContact CB-CG2 4.48Å; M317-I345 HydrophobicContact CB-CG2 4.24Å; M317-I345 HydrophobicContact CE-CG2 4Å; L320-I345 HydrophobicContact CB-CD1 4.23Å; L320-I345 HydrophobicContact CD2-CD1 3.87Å; R341-I345 WeakPolarHBondContact O-CB 3.38Å; R341-I345 WeakPolarHBondContact O-CD1 3.17Å; R341-I345 WeakPolarHBondContact O-CG1 3.27Å; R341-I345 PolarHBondContact O-N 3.46Å; L342-I345 PolarHBondContact O-N 3.48Å; V343-I345 VanDerWaalsContact C-N 3.31Å; V343-I345 PolarHBondContact O-N 3.37Å; I345-C347 PolarHBondContact O-N 2.95Å; I345-R348 PolarHBondContact O-N 2.89Å; I345-E349 PolarHBondContact O-N 3.46Å |
| 346 | A | 87.6 | Confident | 79.5 | Confident | 13 Ų | 13 | 88.8 Ų | 88.8 | 11% | 0.107 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T155 L159 L342 V343 R348 E349 L350 | T155-A346 HydrophobicContact CG2-CB 3.86Å; L159-A346 HydrophobicContact CD1-CB 3.88Å; L159-A346 HydrophobicContact CD2-CB 4.12Å; L159-A346 HydrophobicContact CG-CB 4.38Å; L342-A346 WeakPolarHBondContact O-CB 3.45Å; L342-A346 PolarHBondContact O-N 3.19Å; V343-A346 PolarHBondContact O-N 3.19Å; A346-R348 VanDerWaalsContact C-N 3.28Å; A346-R348 PolarHBondContact O-N 2.82Å; A346-E349 PolarHBondContact O-N 2.77Å; A346-E349 VanDerWaalsContact O-N 3.15Å; A346-L350 PolarHBondContact O-N 3.33Å |
| 347 | C | 84.3 | Confident | 78.6 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 48% | 0.48 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 175.4 | -68.9 | 0 | 0 | 0 | 0 | 112.3 | V343 I345 E349 L350 | V343-C347 PolarHBondContact O-N 2.65Å; V343-C347 PolarHBondContact O-SG 2.91Å; I345-C347 PolarHBondContact O-N 2.95Å; C347-E349 VanDerWaalsContact C-N 3.31Å; C347-E349 PolarHBondContact O-N 2.99Å; C347-L350 PolarHBondContact O-N 3.38Å |
| 348 | R | 78.6 | Confident | 77.5 | Confident | 145 Ų | 145 | 86.1 Ų | 86.1 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.2 | -24.3 | 177.8 | -70 | 173.6 | 179.9 | -167.9 | -0.7 | 113.4 | H316 R344 I345 A346 | H316-R348 PolarHBondContact NE2-NH1 3.21Å; R344-R348 WeakPolarHBondContact O-CG 3.34Å; R344-R348 PolarHBondContact O-N 3.5Å; I345-R348 PolarHBondContact O-N 2.89Å; A346-R348 VanDerWaalsContact C-N 3.28Å; A346-R348 PolarHBondContact O-N 2.82Å |
| 349 | E | 68.9 | Low | 76.2 | Confident | 60 Ų | 60 | 91.5 Ų | 91.5 | 28% | 0.28 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -73.5 | -33.5 | 175.1 | -70.6 | -167.5 | 149.1 | 0 | 0 | 112 | T155 N314 I345 A346 C347 D351 W352 | T155-E349 PolarHBondContact OG1-OE2 3.1Å; N314-E349 VanDerWaalsContact ND2-CD 3.34Å; N314-E349 WeakPolarHBondContact ND2-CG 3.14Å; N314-E349 PolarHBondContact ND2-OE1 3.41Å; I345-E349 PolarHBondContact O-N 3.46Å; A346-E349 PolarHBondContact O-N 2.77Å; A346-E349 VanDerWaalsContact O-N 3.15Å; C347-E349 VanDerWaalsContact C-N 3.31Å; C347-E349 PolarHBondContact O-N 2.99Å; E349-D351 PolarHBondContact O-N 3.5Å; E349-W352 PolarHBondContact O-N 3.04Å; E349-W352 VanDerWaalsContact O-N 3.11Å |
| 350 | L | 59.4 | Low | 74.8 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 67% | 0.665 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.5 | -30 | 175.6 | -71 | 163.4 | 0 | 0 | 0 | 112.2 | A346 C347 W352 | A346-L350 PolarHBondContact O-N 3.33Å; C347-L350 PolarHBondContact O-N 3.38Å; L350-W352 VanDerWaalsContact C-N 3.3Å; L350-W352 PolarHBondContact O-N 2.85Å |
| 351 | D | 50.6 | Low | 73.3 | Confident | 120 Ų | 120 | 95.7 Ų | 95.7 | 64% | 0.642 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -11.3 | 177 | -65.2 | -26.9 | 0 | 0 | 0 | 113.6 | E349 T354 | E349-D351 PolarHBondContact O-N 3.5Å; D351-T354 PolarHBondContact O-OG1 2.63Å |
| 352 | W | 44.2 | Very low | 71.5 | Confident | 217 Ų | 217 | 99.4 Ų | 99.4 | 82% | 0.822 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -22 | -178.9 | -174.9 | -90.5 | 0 | 0 | 0 | 113.6 | E349 L350 T354 | E349-W352 PolarHBondContact O-N 3.04Å; E349-W352 VanDerWaalsContact O-N 3.11Å; L350-W352 VanDerWaalsContact C-N 3.3Å; L350-W352 PolarHBondContact O-N 2.85Å; W352-T354 VanDerWaalsContact C-N 3.32Å |
| 353 | D | 43.7 | Very low | 69.4 | Low | 147 Ų | 147 | 107.4 Ų | 107.4 | 79% | 0.786 | 53% | 0.53 | S | S | * | . | trans | -90.2 | 6.5 | 178.3 | -78.9 | -21 | 0 | 0 | 0 | 112.9 | ||||
| 354 | T | 36.9 | Very low | 67.2 | Low | 169 Ų | 169 | 111 Ų | 111 | 100% | 1.037 | 54% | 0.541 | S | S | * | . | trans | -105.8 | 0 | 165.1 | 54.2 | 0 | 0 | 0 | 0 | 110.8 | D351 W352 | D351-T354 PolarHBondContact O-OG1 2.63Å; W352-T354 VanDerWaalsContact C-N 3.32Å |
Retrieved 354 of 354 residues in 377.3 ms
(Link to these results)