| 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 | 39.9 | Very low | 35 | Very low | 233 Ų | 233 | 172.9 Ų | 172.9 | 100% | 1.148 | 87% | 0.868 | S | S | * | * | 0 | 87.9 | 0 | -164.4 | 138.5 | -175.1 | 0 | 0 | 104.3 | |||||
| 2 | E | 31.9 | Very low | 35 | Very low | 185 Ų | 185 | 168.1 Ų | 168.1 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | trans | -107.6 | 116 | -177.2 | -75.2 | -177.6 | 157.8 | 0 | 0 | 106.6 | ||||
| 3 | D | 30.9 | Very low | 35 | Very low | 158 Ų | 158 | 162.9 Ų | 162.9 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 127.6 | 177.6 | -81.6 | -41.1 | 0 | 0 | 0 | 109.9 | ||
| 4 | F | 36 | Very low | 34.9 | Very low | 197 Ų | 197 | 162.9 Ų | 162.9 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 135 | 167.3 | -76.5 | -94.7 | 0 | 0 | 0 | 109.3 | ||
| 5 | P | 36.3 | Very low | 35.1 | Very low | 114 Ų | 114 | 157.9 Ų | 157.9 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 129.2 | 171.7 | 20.6 | -12.9 | 0 | 0 | 0 | 111.1 | M7 | P5-M7 PolarHBondContact O-N 2.96Š|
| 6 | D | 37.8 | Very low | 35.3 | Very low | 160 Ų | 160 | 156 Ų | 156 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -51.4 | 114.9 | 170.7 | -81.7 | -42.7 | 0 | 0 | 0 | 112.3 | ||||
| 7 | M | 32.2 | Very low | 35.3 | Very low | 173 Ų | 173 | 156.1 Ų | 156.1 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -110 | 51.7 | 172.2 | -76.9 | -86.3 | -82.4 | 0 | 0 | 111 | P5 | P5-M7 PolarHBondContact O-N 2.96Š| ||
| 8 | Y | 39.4 | Very low | 35.9 | Very low | 226 Ų | 226 | 151.7 Ų | 151.7 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | trans | -130.7 | 76.3 | 164.4 | -71.7 | -75.5 | 0 | 0 | 0 | 109.8 | ||||
| 9 | Q | 35.8 | Very low | 36.3 | Very low | 198 Ų | 198 | 147.5 Ų | 147.5 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -129.7 | 126.1 | 160.1 | -78.9 | -172.2 | -6.1 | 0 | 0 | 109.6 | ||||
| 10 | G | 31.1 | Very low | 36.4 | Very low | 75 Ų | 75 | 146.2 Ų | 146.2 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | 110.5 | 69.6 | 164 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 11 | K | 34 | Very low | 37 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | trans | -95.9 | 122.7 | 141.9 | -87.1 | -170.8 | 174.9 | -178.8 | 0 | 106.6 | ||||
| 12 | D | 34.3 | Very low | 37.9 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | trans | -59.1 | 140.8 | 179 | -74 | -51.6 | 0 | 0 | 0 | 110.7 | E14 D15 | D12-E14 PolarHBondContact O-N 3.06Å; D12-E14 VanDerWaalsContact O-N 3.12Å; D12-D15 PolarHBondContact O-N 3.37Å | ||
| 13 | P | 35.2 | Very low | 39.7 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -12.2 | 178.7 | 23.3 | -31 | 0 | 0 | 0 | 113.8 | I16 | P13-I16 PolarHBondContact O-N 2.8Š|
| 14 | E | 33.7 | Very low | 41.9 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.4 | -26.2 | 175.5 | -66.3 | -171.7 | 167.8 | 0 | 0 | 113.1 | D12 I16 | D12-E14 PolarHBondContact O-N 3.06Å; D12-E14 VanDerWaalsContact O-N 3.12Å; E14-I16 VanDerWaalsContact C-N 3.3Å; E14-I16 PolarHBondContact O-N 2.92Å |
| 15 | D | 38.5 | Very low | 44.3 | Very low | 88 Ų | 88 | 123 Ų | 123 | 47% | 0.471 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.6 | -30.5 | 177 | -87.8 | -19.5 | 0 | 0 | 0 | 111.8 | D12 S18 F19 | D12-D15 PolarHBondContact O-N 3.37Å; D15-S18 PolarHBondContact O-N 3.4Å; D15-F19 WeakPolarHBondContact O-CD2 3.41Å; D15-F19 WeakPolarHBondContact O-CE2 3.36Å |
| 16 | I | 37.8 | Very low | 46.6 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 65% | 0.651 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.5 | -27.5 | -173.3 | -59 | 175.4 | 0 | 0 | 0 | 111.4 | P13 E14 | P13-I16 PolarHBondContact O-N 2.8Å; E14-I16 VanDerWaalsContact C-N 3.3Å; E14-I16 PolarHBondContact O-N 2.92Å |
| 17 | E | 36 | Very low | 49.1 | Very low | 158 Ų | 158 | 114.6 Ų | 114.6 | 74% | 0.738 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -77.9 | -24.9 | 176.8 | -70 | -168.8 | 158.7 | 0 | 0 | 112.9 | F19 | E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 3.35Å |
| 18 | S | 45.3 | Very low | 51.7 | Low | 77 Ų | 77 | 107.3 Ų | 107.3 | 54% | 0.538 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -16.7 | -178.8 | -176.7 | 0 | 0 | 0 | 0 | 114.7 | D15 | D15-S18 PolarHBondContact O-N 3.4Š|
| 19 | F | 43.9 | Very low | 54 | Low | 72 Ų | 72 | 101.2 Ų | 101.2 | 32% | 0.316 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -7 | -176.9 | -67.1 | -81.4 | 0 | 0 | 0 | 113.9 | D15 E17 G21 E22 R24 V164 | D15-F19 WeakPolarHBondContact O-CD2 3.41Å; D15-F19 WeakPolarHBondContact O-CE2 3.36Å; E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 3.35Å; F19-G21 PolarHBondContact O-N 3.43Å; F19-E22 PolarHBondContact O-N 2.86Å; F19-E22 VanDerWaalsContact O-N 3.09Å; F19-R24 VanDerWaalsContact CE1-NH2 3.27Å; F19-V164 HydrophobicContact CB-CB 4.36Å; F19-V164 HydrophobicContact CB-CG1 4.23Å; F19-V164 HydrophobicContact CB-CG2 4.27Å; F19-V164 WeakPolarHBondContact O-CB 3.3Å |
| 20 | Q | 38.4 | Very low | 56.3 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 111.3 | -177 | -78 | -170.3 | 8.2 | 0 | 0 | 111.2 | ||
| 21 | G | 49.5 | Very low | 59 | Low | 54 Ų | 54 | 93.4 Ų | 93.4 | 56% | 0.557 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | 1.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | F19 R23 V164 | F19-G21 PolarHBondContact O-N 3.43Å; G21-R23 PolarHBondContact O-N 3.17Å; G21-V164 PolarHBondContact N-O 2.83Å; G21-V164 VanDerWaalsContact N-O 3.09Å |
| 22 | E | 57.4 | Low | 61.5 | Low | 37 Ų | 37 | 87.9 Ų | 87.9 | 17% | 0.173 | 46% | 0.458 | C | S | . | . | trans | -73.1 | 116.8 | 173.4 | -73.6 | -156.6 | 142.9 | 0 | 0 | 110.6 | F19 R24 K124 | F19-E22 PolarHBondContact O-N 2.86Å; F19-E22 VanDerWaalsContact O-N 3.09Å; E22-R24 IonicContact OE2-CZ 2.93Å; E22-R24 IonicContact OE2-NE 3.52Å; E22-R24 PolarHBondContact OE2-NE 2.8Å; E22-R24 IonicContact OE2-NH2 3.65Å; E22-R24 PolarHBondContact OE2-NH2 3.44Å; E22-K124 IonicContact OE1-NZ 2.88Å; E22-K124 PolarHBondContact OE1-NZ 3Å | ||
| 23 | R | 69.3 | Low | 64.1 | Low | 174 Ų | 174 | 90.8 Ų | 90.8 | 66% | 0.657 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.8 | 166.9 | -71.1 | -178.7 | 179.5 | 178.2 | -1.7 | 108.6 | G21 L161 L162 E163 | G21-R23 PolarHBondContact O-N 3.17Å; R23-L161 HydrophobicContact CB-CD1 4.21Å; R23-L162 WeakPolarHBondContact CA-O 3.25Å; R23-E163 HydrophobicContact CG-CB 4.26Å; R23-E163 HydrophobicContact CG-CG 4.02Å; R23-E163 IonicContact CZ-OE1 2.82Å; R23-E163 IonicContact NE-OE1 3.84Å; R23-E163 PolarHBondContact NE-OE1 3.17Å; R23-E163 IonicContact NH2-OE1 2.61Å; R23-E163 PolarHBondContact NH2-OE1 3.36Å |
| 24 | R | 78.1 | Confident | 66.7 | Low | 115 Ų | 115 | 88.3 Ų | 88.3 | 43% | 0.434 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.4 | 177.5 | -64.6 | -175.3 | -177.7 | -162.2 | -1.2 | 110.1 | F19 E22 I26 L161 L162 | F19-R24 VanDerWaalsContact CE1-NH2 3.27Å; E22-R24 IonicContact OE2-CZ 2.93Å; E22-R24 IonicContact OE2-NE 3.52Å; E22-R24 PolarHBondContact OE2-NE 2.8Å; E22-R24 IonicContact OE2-NH2 3.65Å; E22-R24 PolarHBondContact OE2-NH2 3.44Å; R24-I26 HydrophobicContact CB-CG1 4.47Å; R24-L161 CarbonylContact O-C 3.59Å; R24-L161 WeakPolarHBondContact O-CA 3.48Å; R24-L162 PolarHBondContact N-O 3.34Å; R24-L162 PolarHBondContact O-N 3.48Å |
| 25 | K | 85.9 | Confident | 69.6 | Low | 53 Ų | 53 | 85.4 Ų | 85.4 | 23% | 0.23 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 112.9 | 177.4 | -168.2 | 167.1 | -176.1 | 158.8 | 0 | 108.1 | L132 V159 E174 E176 | K25-L132 HydrophobicContact CD-CD2 3.96Å; K25-L132 HydrophobicContact CG-CD2 3.89Å; K25-V159 HydrophobicContact CD-CG2 4.18Å; K25-V159 HydrophobicContact CG-CB 3.93Å; K25-V159 HydrophobicContact CG-CG1 4.43Å; K25-V159 HydrophobicContact CG-CG2 3.91Å; K25-E174 IonicContact NZ-OE1 2.81Å; K25-E174 IonicContact NZ-OE2 3.24Å; K25-E174 PolarHBondContact NZ-OE2 3.39Å; K25-E176 VanDerWaalsContact CE-OE2 3.27Å; K25-E176 WeakPolarHBondContact CE-OE2 3.4Å; K25-E176 IonicContact NZ-OE2 2.63Å; K25-E176 PolarHBondContact NZ-OE2 3.25Å |
| 26 | I | 85.4 | Confident | 72.1 | Confident | 83 Ų | 83 | 85.8 Ų | 85.8 | 43% | 0.426 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 133.5 | -172.6 | -58.8 | 174 | 0 | 0 | 0 | 109.4 | R24 Q28 V159 V160 L162 | R24-I26 HydrophobicContact CB-CG1 4.47Å; I26-Q28 PolarHBondContact O-N 3.3Å; I26-V159 CarbonylContact O-C 3.59Å; I26-V159 VanDerWaalsContact O-CA 3.23Å; I26-V159 WeakPolarHBondContact O-CA 3.44Å; I26-V160 PolarHBondContact N-O 2.95Å; I26-V160 PolarHBondContact O-N 3.04Å; I26-L162 HydrophobicContact CD1-CD1 3.69Å |
| 27 | I | 89.3 | Confident | 74.8 | Confident | 15 Ų | 15 | 79.7 Ų | 79.7 | 8% | 0.077 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 132.7 | 174.8 | -57.3 | 174.4 | 0 | 0 | 0 | 109.6 | L32 L131 L132 V157 V159 | I27-L32 HydrophobicContact CB-CD2 4.17Å; I27-L32 HydrophobicContact CB-CG 4.42Å; I27-L32 HydrophobicContact CD1-CD2 4.36Å; I27-L32 HydrophobicContact CG2-CD2 3.84Å; I27-L32 HydrophobicContact CG2-CG 3.92Å; I27-L131 HydrophobicContact CD1-CB 4.41Å; I27-L131 HydrophobicContact CD1-CD2 4.22Å; I27-L131 HydrophobicContact CD1-CG 4.27Å; I27-L132 HydrophobicContact CD1-CB 4.01Å; I27-L132 HydrophobicContact CD1-CD1 4Å; I27-L132 HydrophobicContact CG1-CB 4.06Å; I27-L132 HydrophobicContact CG1-CD1 4Å; I27-V157 HydrophobicContact CG1-CG2 4.42Å; I27-V157 HydrophobicContact CG2-CB 4.18Å; I27-V159 HydrophobicContact CG1-CG1 4.35Å |
| 28 | Q | 87.3 | Confident | 77.6 | Confident | 19 Ų | 19 | 76.2 Ų | 76.2 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | trans | -65.4 | 141.2 | 176.6 | -75.3 | -167 | 38 | 0 | 0 | 111.6 | I26 T30 S31 L32 E158 V160 | I26-Q28 PolarHBondContact O-N 3.3Å; Q28-T30 PolarHBondContact O-N 3.18Å; Q28-S31 WeakPolarHBondContact O-CB 3.36Å; Q28-S31 PolarHBondContact O-N 3.03Å; Q28-L32 PolarHBondContact O-N 3.15Å; Q28-L32 VanDerWaalsContact O-N 3.13Å; Q28-E158 HydrophobicContact CB-CB 4.36Å; Q28-E158 WeakPolarHBondContact CB-O 3.45Å; Q28-E158 VanDerWaalsContact CD-OE1 3.32Å; Q28-E158 HydrophobicContact CG-CB 4.39Å; Q28-E158 HydrophobicContact CG-CG 4.33Å; Q28-E158 PolarHBondContact N-O 3.16Å; Q28-E158 VanDerWaalsContact NE2-CG 3.3Å; Q28-E158 PolarHBondContact NE2-OE1 3.14Å; Q28-E158 PolarHBondContact OE1-OE1 3.4Å; Q28-E158 PolarHBondContact OE1-OE2 3.37Å; Q28-V160 HydrophobicContact CG-CG2 3.48Å; Q28-V160 VanDerWaalsContact CG-CG2 3.48Å; Q28-V160 VanDerWaalsContact NE2-CG2 3.34Å | ||
| 29 | P | 87.9 | Confident | 80 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -26.4 | 178.4 | -27.6 | 34.9 | 0 | 0 | 0 | 114.7 | ||
| 30 | T | 84.8 | Confident | 82.5 | Confident | 95 Ų | 95 | 74.7 Ų | 74.7 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -42.8 | 174.1 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | Q28 L32 K33 | Q28-T30 PolarHBondContact O-N 3.18Å; T30-L32 VanDerWaalsContact C-N 3.34Å; T30-K33 PolarHBondContact O-N 3.44Å |
| 31 | S | 86.9 | Confident | 85.3 | Confident | 14 Ų | 14 | 70.9 Ų | 70.9 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -71.1 | -28.7 | 178.2 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | Q28 K33 D34 L37 E158 | Q28-S31 WeakPolarHBondContact O-CB 3.36Å; Q28-S31 PolarHBondContact O-N 3.03Å; S31-K33 PolarHBondContact O-N 3.41Å; S31-K33 VanDerWaalsContact O-N 3.17Å; S31-D34 WeakPolarHBondContact O-CB 3.29Å; S31-D34 PolarHBondContact O-N 2.98Å; S31-L37 WeakPolarHBondContact O-CD2 3.41Å; S31-E158 WeakPolarHBondContact OG-CB 3.47Å; S31-E158 PolarHBondContact OG-N 2.77Å |
| 32 | L | 87.2 | Confident | 87.5 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -61.8 | -20.3 | 172.7 | -71.1 | 176.3 | 0 | 0 | 0 | 113.4 | I27 Q28 T30 L37 L131 | I27-L32 HydrophobicContact CB-CD2 4.17Å; I27-L32 HydrophobicContact CB-CG 4.42Å; I27-L32 HydrophobicContact CD1-CD2 4.36Å; I27-L32 HydrophobicContact CG2-CD2 3.84Å; I27-L32 HydrophobicContact CG2-CG 3.92Å; Q28-L32 PolarHBondContact O-N 3.15Å; Q28-L32 VanDerWaalsContact O-N 3.13Å; T30-L32 VanDerWaalsContact C-N 3.34Å; L32-L37 HydrophobicContact CD2-CD2 4.33Å; L32-L131 HydrophobicContact CD2-CD2 3.82Å |
| 33 | K | 88 | Confident | 89.4 | Confident | 176 Ų | 176 | 70.1 Ų | 70.1 | 77% | 0.765 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -96.4 | 4.2 | 176.7 | -61.6 | 179.7 | -178.5 | -179.9 | 0 | 112.8 | T30 S31 | T30-K33 PolarHBondContact O-N 3.44Å; S31-K33 PolarHBondContact O-N 3.41Å; S31-K33 VanDerWaalsContact O-N 3.17Å |
| 34 | D | 91.2 | Very high | 90.8 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | trans | -67.2 | 125 | 179.6 | -170.9 | -43.5 | 0 | 0 | 0 | 110.1 | S31 K36 L37 E38 | S31-D34 WeakPolarHBondContact O-CB 3.29Å; S31-D34 PolarHBondContact O-N 2.98Å; D34-K36 PolarHBondContact O-N 3.14Å; D34-K36 VanDerWaalsContact OD1-CB 3.29Å; D34-K36 WeakPolarHBondContact OD1-CB 3.38Å; D34-K36 PolarHBondContact OD1-N 2.92Å; D34-L37 HydrophobicContact CB-CB 4.12Å; D34-L37 PolarHBondContact O-N 2.92Å; D34-L37 VanDerWaalsContact O-N 3.15Å; D34-E38 PolarHBondContact O-N 3.29Å | ||
| 35 | P | 93 | Very high | 91.7 | Very high | 102 Ų | 102 | 57.3 Ų | 57.3 | 66% | 0.662 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.1 | -29 | 179.7 | 25.6 | -35.4 | 0 | 0 | 0 | 113.6 | K39 | P35-K39 WeakPolarHBondContact O-CB 3.34Å; P35-K39 PolarHBondContact O-N 3.12Å |
| 36 | K | 92.1 | Very high | 92.2 | Very high | 96 Ų | 96 | 59.4 Ų | 59.4 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.7 | -40.8 | 175.6 | -67.3 | -172.1 | 174.5 | -169.7 | 0 | 111.6 | D34 K39 L40 V155 | D34-K36 PolarHBondContact O-N 3.14Å; D34-K36 VanDerWaalsContact OD1-CB 3.29Å; D34-K36 WeakPolarHBondContact OD1-CB 3.38Å; D34-K36 PolarHBondContact OD1-N 2.92Å; K36-K39 PolarHBondContact O-N 2.99Å; K36-L40 PolarHBondContact O-N 3.42Å; K36-V155 HydrophobicContact CB-CG2 4.25Å |
| 37 | L | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 176.1 | -179.8 | 64 | 0 | 0 | 0 | 110.9 | S31 L32 D34 K39 L40 K41 L135 V155 V157 L178 | S31-L37 WeakPolarHBondContact O-CD2 3.41Å; L32-L37 HydrophobicContact CD2-CD2 4.33Å; D34-L37 HydrophobicContact CB-CB 4.12Å; D34-L37 PolarHBondContact O-N 2.92Å; D34-L37 VanDerWaalsContact O-N 3.15Å; L37-K39 VanDerWaalsContact C-N 3.3Å; L37-K39 PolarHBondContact O-N 3.49Å; L37-L40 WeakPolarHBondContact O-CB 3.42Å; L37-L40 PolarHBondContact O-N 2.99Å; L37-K41 HydrophobicContact CG-CD 4.35Å; L37-K41 WeakPolarHBondContact O-CG 3.48Å; L37-K41 PolarHBondContact O-N 3.22Å; L37-L135 HydrophobicContact CD1-CD1 3.72Å; L37-V155 HydrophobicContact CB-CG1 4.44Å; L37-V155 HydrophobicContact CD1-CG1 4.29Å; L37-V157 HydrophobicContact CB-CG1 4.47Å; L37-V157 HydrophobicContact CD1-CG1 3.91Å; L37-V157 HydrophobicContact CD2-CG1 3.81Å; L37-V157 HydrophobicContact CG-CG1 4.28Å; L37-L178 HydrophobicContact CD1-CD1 3.5Å; L37-L178 VanDerWaalsContact CD1-CD1 3.5Å |
| 38 | E | 94.9 | Very high | 93.2 | Very high | 85 Ų | 85 | 54.9 Ų | 54.9 | 40% | 0.397 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.3 | -77.3 | -60.2 | 134 | 0 | 0 | 111.9 | D34 K41 S42 | D34-E38 PolarHBondContact O-N 3.29Å; E38-K41 PolarHBondContact O-N 2.87Å; E38-K41 IonicContact OE1-NZ 2.75Å; E38-K41 PolarHBondContact OE1-NZ 2.7Å; E38-K41 IonicContact OE2-NZ 3.65Å; E38-S42 WeakPolarHBondContact O-CB 3.46Å; E38-S42 PolarHBondContact O-N 3.43Å |
| 39 | K | 95.3 | Very high | 93.6 | Very high | 117 Ų | 117 | 55.6 Ų | 55.6 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 173.2 | -176.7 | 61 | 179.8 | 177.7 | 0 | 111.9 | P35 K36 L37 S42 V43 P152 | P35-K39 WeakPolarHBondContact O-CB 3.34Å; P35-K39 PolarHBondContact O-N 3.12Å; K36-K39 PolarHBondContact O-N 2.99Å; L37-K39 VanDerWaalsContact C-N 3.3Å; L37-K39 PolarHBondContact O-N 3.49Å; K39-S42 PolarHBondContact O-N 3.43Å; K39-V43 HydrophobicContact CD-CG2 4.42Å; K39-V43 WeakPolarHBondContact O-CG2 3.26Å; K39-V43 PolarHBondContact O-N 3.03Å; K39-P152 HydrophobicContact CB-CG 4.28Å; K39-P152 HydrophobicContact CG-CB 4.46Å; K39-P152 HydrophobicContact CG-CG 3.72Å |
| 40 | L | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 176.3 | 175.3 | 62.7 | 0 | 0 | 0 | 110.8 | K36 L37 S42 V43 L44 L135 V139 L151 P152 V155 L178 T179 | K36-L40 PolarHBondContact O-N 3.42Å; L37-L40 WeakPolarHBondContact O-CB 3.42Å; L37-L40 PolarHBondContact O-N 2.99Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 2.98Å; L40-V43 PolarHBondContact O-N 3.43Å; L40-L44 HydrophobicContact CD1-CD1 4.1Å; L40-L44 HydrophobicContact CD1-CG 4.15Å; L40-L44 HydrophobicContact CG-CD1 4.09Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 2.9Å; L40-L135 HydrophobicContact CD2-CD2 4.46Å; L40-V139 HydrophobicContact CD1-CG2 4.18Å; L40-V139 HydrophobicContact CD2-CG2 4.38Å; L40-L151 HydrophobicContact CD1-CD2 4.01Å; L40-P152 HydrophobicContact CB-CG 4.29Å; L40-V155 HydrophobicContact CB-CG1 4.48Å; L40-V155 HydrophobicContact CB-CG2 4.23Å; L40-V155 HydrophobicContact CD2-CB 4.23Å; L40-V155 HydrophobicContact CD2-CG1 3.94Å; L40-V155 HydrophobicContact CD2-CG2 4.31Å; L40-L178 HydrophobicContact CD2-CB 3.95Å; L40-L178 HydrophobicContact CD2-CD1 4.01Å; L40-T179 HydrophobicContact CD1-CG2 4.04Å; L40-T179 HydrophobicContact CD2-CG2 4.25Å |
| 41 | K | 96.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 17% | 0.17 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.5 | -47.1 | 175.8 | -72 | 168.8 | 63.1 | -171.9 | 0 | 111.2 | L37 E38 V43 L44 V45 L62 L135 | L37-K41 HydrophobicContact CG-CD 4.35Å; L37-K41 WeakPolarHBondContact O-CG 3.48Å; L37-K41 PolarHBondContact O-N 3.22Å; E38-K41 PolarHBondContact O-N 2.87Å; E38-K41 IonicContact OE1-NZ 2.75Å; E38-K41 PolarHBondContact OE1-NZ 2.7Å; E38-K41 IonicContact OE2-NZ 3.65Å; K41-V43 PolarHBondContact O-N 3.41Å; K41-L44 PolarHBondContact O-N 3.04Å; K41-V45 WeakPolarHBondContact O-CG2 3.43Å; K41-V45 PolarHBondContact O-N 2.88Å; K41-L62 HydrophobicContact CB-CD1 4.3Å; K41-L62 HydrophobicContact CG-CD1 4.2Å; K41-L135 HydrophobicContact CG-CD2 4.07Å |
| 42 | S | 97.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 112.9 | E38 K39 L40 V45 N46 | E38-S42 WeakPolarHBondContact O-CB 3.46Å; E38-S42 PolarHBondContact O-N 3.43Å; K39-S42 PolarHBondContact O-N 3.43Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 2.98Å; S42-V45 PolarHBondContact O-N 3.24Å; S42-N46 WeakPolarHBondContact O-CB 3.36Å; S42-N46 PolarHBondContact O-N 3.35Å; S42-N46 PolarHBondContact O-ND2 3.06Å; S42-N46 VanDerWaalsContact O-ND2 3.1Å |
| 43 | V | 97.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 12% | 0.121 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 176.7 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | K39 L40 K41 N46 W47 L149 L151 P152 | K39-V43 HydrophobicContact CD-CG2 4.42Å; K39-V43 WeakPolarHBondContact O-CG2 3.26Å; K39-V43 PolarHBondContact O-N 3.03Å; L40-V43 PolarHBondContact O-N 3.43Å; K41-V43 PolarHBondContact O-N 3.41Å; V43-N46 PolarHBondContact O-N 3.34Å; V43-W47 WeakPolarHBondContact O-CB 3.37Å; V43-W47 PolarHBondContact O-N 3.48Å; V43-L149 HydrophobicContact CG1-CD1 4.43Å; V43-L149 HydrophobicContact CG1-CD2 4.21Å; V43-L149 HydrophobicContact CG1-CG 4.36Å; V43-L151 HydrophobicContact CG1-CD2 4.02Å; V43-P152 HydrophobicContact CG2-CG 4.37Å |
| 44 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 178.3 | -66.7 | 175.1 | 0 | 0 | 0 | 112.1 | L40 K41 N46 W47 I48 L62 L135 L138 V139 V142 L151 | L40-L44 HydrophobicContact CD1-CD1 4.1Å; L40-L44 HydrophobicContact CD1-CG 4.15Å; L40-L44 HydrophobicContact CG-CD1 4.09Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 2.9Å; K41-L44 PolarHBondContact O-N 3.04Å; L44-N46 PolarHBondContact O-N 2.96Å; L44-W47 HydrophobicContact CD2-CE3 4.46Å; L44-W47 WeakPolarHBondContact O-CB 3.42Å; L44-W47 PolarHBondContact O-N 3.09Å; L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.32Å; L44-I48 PolarHBondContact O-N 3.48Å; L44-L62 HydrophobicContact CB-CD1 4.06Å; L44-L62 HydrophobicContact CB-CD2 4.36Å; L44-L62 HydrophobicContact CD1-CD1 4.05Å; L44-L135 HydrophobicContact CD1-CD2 3.68Å; L44-L138 HydrophobicContact CB-CD1 4.43Å; L44-L138 HydrophobicContact CD1-CB 4Å; L44-L138 HydrophobicContact CD1-CD1 4.14Å; L44-L138 HydrophobicContact CD2-CB 4.09Å; L44-V139 HydrophobicContact CD1-CG2 4.44Å; L44-V142 HydrophobicContact CD2-CG2 3.75Å; L44-L151 HydrophobicContact CD2-CD2 4.09Å |
| 45 | V | 97.9 | Very high | 95.2 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 13% | 0.127 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 175.3 | 169.2 | 0 | 0 | 0 | 0 | 111 | K41 S42 W47 I48 N49 V59 L62 | K41-V45 WeakPolarHBondContact O-CG2 3.43Å; K41-V45 PolarHBondContact O-N 2.88Å; S42-V45 PolarHBondContact O-N 3.24Å; V45-W47 VanDerWaalsContact C-N 3.3Å; V45-W47 PolarHBondContact O-N 3.36Å; V45-I48 PolarHBondContact O-N 3.45Å; V45-N49 WeakPolarHBondContact CG1-ND2 3.36Å; V45-N49 WeakPolarHBondContact O-CB 3.44Å; V45-N49 VanDerWaalsContact O-CG 3.26Å; V45-N49 PolarHBondContact O-N 2.8Å; V45-N49 PolarHBondContact O-ND2 3.39Å; V45-V59 WeakPolarHBondContact CG1-O 3.45Å; V45-V59 HydrophobicContact CG2-CG1 4.33Å; V45-L62 HydrophobicContact CG2-CD2 3.57Å; V45-L62 HydrophobicContact CG2-CG 3.91Å |
| 46 | N | 97 | Very high | 95.2 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 178.3 | -71.8 | -29.3 | 0 | 0 | 0 | 112 | S42 V43 L44 S50 | S42-N46 WeakPolarHBondContact O-CB 3.36Å; S42-N46 PolarHBondContact O-N 3.35Å; S42-N46 PolarHBondContact O-ND2 3.06Å; S42-N46 VanDerWaalsContact O-ND2 3.1Å; V43-N46 PolarHBondContact O-N 3.34Å; L44-N46 PolarHBondContact O-N 2.96Å; N46-S50 VanDerWaalsContact O-CB 3.3Å; N46-S50 WeakPolarHBondContact O-CB 3.25Å; N46-S50 PolarHBondContact O-N 3.02Å; N46-S50 PolarHBondContact O-OG 3.36Å |
| 47 | W | 97.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.011 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -49.8 | 175.9 | 168.4 | 60.3 | 0 | 0 | 0 | 111.9 | V43 L44 V45 N49 S50 T51 L79 L138 M141 V142 Q146 L149 | V43-W47 WeakPolarHBondContact O-CB 3.37Å; V43-W47 PolarHBondContact O-N 3.48Å; L44-W47 HydrophobicContact CD2-CE3 4.46Å; L44-W47 WeakPolarHBondContact O-CB 3.42Å; L44-W47 PolarHBondContact O-N 3.09Å; V45-W47 VanDerWaalsContact C-N 3.3Å; V45-W47 PolarHBondContact O-N 3.36Å; W47-N49 PolarHBondContact O-N 2.96Å; W47-S50 PolarHBondContact O-N 3.12Å; W47-S50 PolarHBondContact O-OG 3.14Å; W47-T51 PolarHBondContact NE1-OG1 2.81Å; W47-T51 WeakPolarHBondContact O-CB 3.5Å; W47-T51 PolarHBondContact O-N 3.2Å; W47-T51 PolarHBondContact O-OG1 3.44Å; W47-L79 HydrophobicContact CH2-CD1 4.08Å; W47-L79 HydrophobicContact CZ2-CD1 3.58Å; W47-L138 HydrophobicContact CZ3-CD2 4.16Å; W47-M141 HydrophobicContact CH2-CB 3.92Å; W47-V142 HydrophobicContact CD2-CG2 3.6Å; W47-V142 HydrophobicContact CE3-CG2 3.45Å; W47-V142 VanDerWaalsContact CE3-CG2 3.45Å; W47-V142 HydrophobicContact CG-CG2 4.31Å; W47-V142 HydrophobicContact CH2-CG2 3.85Å; W47-V142 HydrophobicContact CZ2-CG2 3.98Å; W47-V142 HydrophobicContact CZ3-CG2 3.59Å; W47-Q146 VanDerWaalsContact CD1-CD 3.5Å; W47-L149 HydrophobicContact CB-CD2 3.62Å; W47-L149 HydrophobicContact CD2-CD2 4.37Å; W47-L149 HydrophobicContact CG-CD2 3.6Å |
| 48 | I | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 177.8 | -63.2 | 167.2 | 0 | 0 | 0 | 110.3 | L44 V45 S50 T51 L52 V59 L62 I66 I71 L75 L138 | L44-I48 VanDerWaalsContact O-CG1 3.29Å; L44-I48 WeakPolarHBondContact O-CG1 3.32Å; L44-I48 PolarHBondContact O-N 3.48Å; V45-I48 PolarHBondContact O-N 3.45Å; I48-S50 VanDerWaalsContact C-N 3.31Å; I48-S50 PolarHBondContact O-N 3.02Å; I48-T51 PolarHBondContact O-N 2.86Å; I48-L52 HydrophobicContact CG2-CD1 3.95Å; I48-L52 HydrophobicContact CG2-CG 4.42Å; I48-L52 PolarHBondContact O-N 2.68Å; I48-V59 HydrophobicContact CG2-CB 4.35Å; I48-V59 HydrophobicContact CG2-CG2 3.66Å; I48-L62 HydrophobicContact CD1-CD2 3.83Å; I48-I66 HydrophobicContact CD1-CD1 4.11Å; I48-I71 HydrophobicContact CG2-CG2 3.63Å; I48-L75 HydrophobicContact CG1-CD1 4.14Å; I48-L75 HydrophobicContact CG2-CD1 4.42Å; I48-L75 HydrophobicContact CG2-CD2 4.39Å; I48-L138 HydrophobicContact CD1-CD1 4.2Å; I48-L138 HydrophobicContact CD1-CD2 3.94Å |
| 49 | N | 97 | Very high | 95.3 | Very high | 35 Ų | 35 | 54.4 Ų | 54.4 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -35 | -178.4 | -72.9 | -16 | 0 | 0 | 0 | 113.2 | V45 W47 K53 V59 | V45-N49 WeakPolarHBondContact CG1-ND2 3.36Å; V45-N49 WeakPolarHBondContact O-CB 3.44Å; V45-N49 VanDerWaalsContact O-CG 3.26Å; V45-N49 PolarHBondContact O-N 2.8Å; V45-N49 PolarHBondContact O-ND2 3.39Å; W47-N49 PolarHBondContact O-N 2.96Å; N49-K53 WeakPolarHBondContact O-CA 3.12Å; N49-K53 WeakPolarHBondContact O-CB 3.49Å; N49-K53 PolarHBondContact O-N 2.98Å; N49-V59 PolarHBondContact ND2-O 3.01Å; N49-V59 WeakPolarHBondContact OD1-CB 3.38Å; N49-V59 PolarHBondContact OD1-N 3.39Å |
| 50 | S | 95.4 | Very high | 95.3 | Very high | 74 Ų | 74 | 56.9 Ų | 56.9 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.3 | -37.8 | 175.1 | 59 | 0 | 0 | 0 | 0 | 112.1 | N46 W47 I48 | N46-S50 VanDerWaalsContact O-CB 3.3Å; N46-S50 WeakPolarHBondContact O-CB 3.25Å; N46-S50 PolarHBondContact O-N 3.02Å; N46-S50 PolarHBondContact O-OG 3.36Å; W47-S50 PolarHBondContact O-N 3.12Å; W47-S50 PolarHBondContact O-OG 3.14Å; I48-S50 VanDerWaalsContact C-N 3.31Å; I48-S50 PolarHBondContact O-N 3.02Å |
| 51 | T | 94.8 | Very high | 95.2 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -42.2 | 178.5 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | W47 I48 L75 R78 L79 | W47-T51 PolarHBondContact NE1-OG1 2.81Å; W47-T51 WeakPolarHBondContact O-CB 3.5Å; W47-T51 PolarHBondContact O-N 3.2Å; W47-T51 PolarHBondContact O-OG1 3.44Å; I48-T51 PolarHBondContact O-N 2.86Å; T51-L75 HydrophobicContact CG2-CD2 3.83Å; T51-R78 HydrophobicContact CG2-CB 4.28Å; T51-L79 HydrophobicContact CG2-CD2 3.86Å; T51-L79 HydrophobicContact CG2-CG 4.14Å |
| 52 | L | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 13.7 | -176.2 | -55.4 | -175.7 | 0 | 0 | 0 | 113.7 | I48 E54 E55 H56 I57 I71 H74 L75 R78 | I48-L52 HydrophobicContact CG2-CD1 3.95Å; I48-L52 HydrophobicContact CG2-CG 4.42Å; I48-L52 PolarHBondContact O-N 2.68Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.19Å; L52-E55 PolarHBondContact O-N 3.36Å; L52-H56 PolarHBondContact O-N 3.47Å; L52-I57 HydrophobicContact CB-CB 3.95Å; L52-I57 HydrophobicContact CB-CD1 4.46Å; L52-I57 HydrophobicContact CB-CG2 4.39Å; L52-I57 HydrophobicContact CD1-CB 4.24Å; L52-I57 HydrophobicContact CD1-CD1 4.09Å; L52-I57 HydrophobicContact CD1-CG2 3.89Å; L52-I71 HydrophobicContact CD1-CG2 4.17Å; L52-H74 HydrophobicContact CD1-CB 3.98Å; L52-H74 HydrophobicContact CD2-CB 3.8Å; L52-L75 HydrophobicContact CD1-CD2 4.17Å; L52-L75 HydrophobicContact CD1-CG 4.16Å; L52-L75 HydrophobicContact CD2-CD2 3.97Å; L52-L75 HydrophobicContact CD2-CG 4.38Å; L52-L75 HydrophobicContact CG-CD2 3.93Å; L52-L75 HydrophobicContact CG-CG 4.42Å; L52-R78 HydrophobicContact CD2-CB 4.48Å; L52-R78 HydrophobicContact CD2-CG 3.92Å |
| 53 | K | 93.6 | Very high | 94.9 | Very high | 154 Ų | 154 | 56.7 Ų | 56.7 | 67% | 0.67 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -58.2 | -38.1 | -176.5 | -172.7 | 179.5 | 178.3 | -176.9 | 0 | 113.1 | N49 E55 H56 | N49-K53 WeakPolarHBondContact O-CA 3.12Å; N49-K53 WeakPolarHBondContact O-CB 3.49Å; N49-K53 PolarHBondContact O-N 2.98Å; K53-E55 PolarHBondContact O-N 3.07Å; K53-H56 PolarHBondContact O-N 2.93Å |
| 54 | E | 90.9 | Very high | 94.8 | Very high | 138 Ų | 138 | 60.2 Ų | 60.2 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -68.2 | -21.7 | 179.6 | -68.1 | -177.9 | 176.1 | 0 | 0 | 112.8 | L52 H56 R78 | L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 PolarHBondContact O-N 3.19Å; E54-H56 VanDerWaalsContact C-N 3.34Å; E54-R78 VanDerWaalsContact CD-NH2 3.27Å; E54-R78 IonicContact OE1-NH2 3.32Å; E54-R78 IonicContact OE2-CZ 2.79Å; E54-R78 IonicContact OE2-NH1 3.81Å; E54-R78 PolarHBondContact OE2-NH1 3.48Å; E54-R78 IonicContact OE2-NH2 3.94Å; E54-R78 PolarHBondContact OE2-NH2 3.13Å |
| 55 | E | 89.3 | Confident | 94.7 | Very high | 65 Ų | 65 | 62.8 Ų | 62.8 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -94.7 | 3.7 | 178.6 | -66 | 167.9 | -114.1 | 0 | 0 | 111.8 | L52 K53 I57 H74 R78 | L52-E55 PolarHBondContact O-N 3.36Å; K53-E55 PolarHBondContact O-N 3.07Å; E55-I57 HydrophobicContact CB-CD1 3.95Å; E55-I57 HydrophobicContact CB-CG1 4.12Å; E55-I57 PolarHBondContact O-N 3.1Å; E55-H74 IonicContact OE2-CE1 3.95Å; E55-H74 IonicContact OE2-CG 2.76Å; E55-H74 IonicContact OE2-ND1 2.59Å; E55-H74 PolarHBondContact OE2-ND1 3.2Å; E55-R78 WeakPolarHBondContact OE1-CD 3.36Å; E55-R78 WeakPolarHBondContact OE1-CG 3.5Å; E55-R78 IonicContact OE1-NE 3.17Å |
| 56 | H | 92.3 | Very high | 94.6 | Very high | 170 Ų | 170 | 61.8 Ų | 61.8 | 79% | 0.787 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 26.8 | -178.9 | -58.8 | -74.3 | 0 | 0 | 0 | 114.2 | L52 K53 E54 | L52-H56 PolarHBondContact O-N 3.47Å; K53-H56 PolarHBondContact O-N 2.93Å; E54-H56 VanDerWaalsContact C-N 3.34Å |
| 57 | I | 92.7 | Very high | 94.5 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | trans | -87.5 | 133.3 | 176.9 | -64.7 | 170.8 | 0 | 0 | 0 | 109.3 | L52 E55 I71 H74 | L52-I57 HydrophobicContact CB-CB 3.95Å; L52-I57 HydrophobicContact CB-CD1 4.46Å; L52-I57 HydrophobicContact CB-CG2 4.39Å; L52-I57 HydrophobicContact CD1-CB 4.24Å; L52-I57 HydrophobicContact CD1-CD1 4.09Å; L52-I57 HydrophobicContact CD1-CG2 3.89Å; E55-I57 HydrophobicContact CB-CD1 3.95Å; E55-I57 HydrophobicContact CB-CG1 4.12Å; E55-I57 PolarHBondContact O-N 3.1Å; I57-I71 HydrophobicContact CG2-CD1 3.24Å; I57-H74 HydrophobicContact CD1-CB 3.92Å; I57-H74 VanDerWaalsContact CD1-CD2 3.42Å; I57-H74 WeakPolarHBondContact CD1-CD2 3.35Å; I57-H74 VanDerWaalsContact CD1-CG 3.5Å | ||
| 58 | V | 95 | Very high | 94.2 | Very high | 104 Ų | 104 | 60.8 Ų | 60.8 | 63% | 0.63 | 31% | 0.306 | S | S | * | . | trans | -131 | 117.1 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 59 | V | 95.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | trans | -93 | 136.7 | 172.2 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | V45 I48 N49 L62 D65 I71 | V45-V59 WeakPolarHBondContact CG1-O 3.45Å; V45-V59 HydrophobicContact CG2-CG1 4.33Å; I48-V59 HydrophobicContact CG2-CB 4.35Å; I48-V59 HydrophobicContact CG2-CG2 3.66Å; N49-V59 PolarHBondContact ND2-O 3.01Å; N49-V59 WeakPolarHBondContact OD1-CB 3.38Å; N49-V59 PolarHBondContact OD1-N 3.39Å; V59-L62 HydrophobicContact CG1-CD2 4.27Å; V59-D65 WeakPolarHBondContact CA-OD2 3.33Å; V59-D65 HydrophobicContact CG1-CB 4.04Å; V59-D65 HydrophobicContact CG2-CB 4.26Å; V59-I71 HydrophobicContact CG2-CD1 3.59Å; V59-I71 HydrophobicContact CG2-CG1 3.88Å; V59-I71 HydrophobicContact CG2-CG2 4.11Å | ||
| 60 | Q | 94.3 | Very high | 93.7 | Very high | 169 Ų | 169 | 61.5 Ų | 61.5 | 79% | 0.79 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -116.9 | -37 | 174.4 | -61.1 | -175.8 | 10.5 | 0 | 0 | 111.3 | D65 | Q60-D65 PolarHBondContact N-OD2 3.37Š|
| 61 | S | 95.6 | Very high | 93.7 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | trans | -133.5 | 122.3 | -177.8 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | E63 E64 D65 | S61-E63 VanDerWaalsContact C-N 3.29Å; S61-E63 PolarHBondContact O-N 3.14Å; S61-E64 PolarHBondContact O-N 2.96Å; S61-E64 PolarHBondContact OG-N 2.97Å; S61-D65 PolarHBondContact N-OD2 3.34Å; S61-D65 VanDerWaalsContact O-CB 3.25Å; S61-D65 WeakPolarHBondContact O-CB 3.4Å; S61-D65 VanDerWaalsContact O-CG 3.31Å; S61-D65 PolarHBondContact O-N 2.91Å; S61-D65 VanDerWaalsContact O-OD2 3.09Å | ||
| 62 | L | 95.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -40.7 | -178.2 | -60.2 | 179.3 | 0 | 0 | 0 | 111.6 | K41 L44 V45 I48 V59 I66 L131 T134 L135 L138 | K41-L62 HydrophobicContact CB-CD1 4.3Å; K41-L62 HydrophobicContact CG-CD1 4.2Å; L44-L62 HydrophobicContact CB-CD1 4.06Å; L44-L62 HydrophobicContact CB-CD2 4.36Å; L44-L62 HydrophobicContact CD1-CD1 4.05Å; V45-L62 HydrophobicContact CG2-CD2 3.57Å; V45-L62 HydrophobicContact CG2-CG 3.91Å; I48-L62 HydrophobicContact CD1-CD2 3.83Å; V59-L62 HydrophobicContact CG1-CD2 4.27Å; L62-I66 HydrophobicContact CB-CD1 4.1Å; L62-I66 HydrophobicContact CD2-CD1 3.97Å; L62-I66 WeakPolarHBondContact O-CB 3.24Å; L62-I66 WeakPolarHBondContact O-CD1 3.31Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 3.07Å; L62-L131 HydrophobicContact CB-CD1 4.48Å; L62-T134 HydrophobicContact CB-CG2 4.1Å; L62-L135 HydrophobicContact CD1-CD2 3.79Å; L62-L138 HydrophobicContact CB-CD1 4.43Å; L62-L138 HydrophobicContact CD1-CD1 3.94Å; L62-L138 HydrophobicContact CD2-CD1 3.73Å; L62-L138 HydrophobicContact CG-CD1 4.25Å |
| 63 | E | 90.9 | Very high | 93.6 | Very high | 55 Ų | 55 | 58.7 Ų | 58.7 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -78 | -31.4 | -177.9 | 64.4 | -145.2 | 138.1 | 0 | 0 | 113.3 | S61 K129 L131 | S61-E63 VanDerWaalsContact C-N 3.29Å; S61-E63 PolarHBondContact O-N 3.14Å; E63-K129 HydrophobicContact CB-CB 4.26Å; E63-K129 WeakPolarHBondContact O-CG 3.31Å; E63-L131 HydrophobicContact CB-CD1 4.45Å; E63-L131 WeakPolarHBondContact OE2-CB 3.28Å |
| 64 | E | 94.8 | Very high | 93.6 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -87.3 | -25.1 | -178 | -62.6 | -65.4 | 146.3 | 0 | 0 | 113.5 | S61 F67 K129 | S61-E64 PolarHBondContact O-N 2.96Å; S61-E64 PolarHBondContact OG-N 2.97Å; E64-F67 WeakPolarHBondContact O-CD1 3.39Å; E64-F67 WeakPolarHBondContact O-CE1 3.34Å; E64-K129 IonicContact OE1-NZ 2.92Å; E64-K129 IonicContact OE2-NZ 2.67Å; E64-K129 PolarHBondContact OE2-NZ 3.27Å |
| 65 | D | 95.9 | Very high | 93.8 | Very high | 53 Ų | 53 | 46 Ų | 46 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -102.6 | -18.1 | -175.4 | -59.1 | -40.8 | 0 | 0 | 0 | 113.1 | V59 Q60 S61 I71 | V59-D65 WeakPolarHBondContact CA-OD2 3.33Å; V59-D65 HydrophobicContact CG1-CB 4.04Å; V59-D65 HydrophobicContact CG2-CB 4.26Å; Q60-D65 PolarHBondContact N-OD2 3.37Å; S61-D65 PolarHBondContact N-OD2 3.34Å; S61-D65 VanDerWaalsContact O-CB 3.25Å; S61-D65 WeakPolarHBondContact O-CB 3.4Å; S61-D65 VanDerWaalsContact O-CG 3.31Å; S61-D65 PolarHBondContact O-N 2.91Å; S61-D65 VanDerWaalsContact O-OD2 3.09Å; D65-I71 HydrophobicContact CB-CG1 4.49Å; D65-I71 WeakPolarHBondContact O-CG1 3.4Å |
| 66 | I | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -96.3 | -24 | -174.6 | -63 | 176.7 | 0 | 0 | 0 | 112.8 | I48 L62 D68 G69 I71 L72 I126 T134 L138 | I48-I66 HydrophobicContact CD1-CD1 4.11Å; L62-I66 HydrophobicContact CB-CD1 4.1Å; L62-I66 HydrophobicContact CD2-CD1 3.97Å; L62-I66 WeakPolarHBondContact O-CB 3.24Å; L62-I66 WeakPolarHBondContact O-CD1 3.31Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 3.07Å; I66-D68 PolarHBondContact O-N 3.2Å; I66-G69 PolarHBondContact O-N 2.88Å; I66-I71 HydrophobicContact CG1-CB 4.36Å; I66-I71 HydrophobicContact CG1-CG2 4.36Å; I66-L72 HydrophobicContact CG2-CD1 3.91Å; I66-L72 HydrophobicContact CG2-CD2 3.99Å; I66-L72 HydrophobicContact CG2-CG 3.79Å; I66-I126 HydrophobicContact CG2-CG2 4.42Å; I66-T134 HydrophobicContact CB-CG2 4.25Å; I66-T134 HydrophobicContact CD1-CG2 3.69Å; I66-T134 HydrophobicContact CG2-CG2 4.19Å; I66-L138 HydrophobicContact CD1-CD1 3.56Å; I66-L138 HydrophobicContact CD1-CD2 3.99Å; I66-L138 HydrophobicContact CD1-CG 4.13Å |
| 67 | F | 94.9 | Very high | 93.8 | Very high | 43 Ų | 43 | 36 Ų | 36 | 19% | 0.189 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.1 | -166.7 | 82.4 | -78 | 0 | 0 | 0 | 115.4 | E64 L100 I126 K129 | E64-F67 WeakPolarHBondContact O-CD1 3.39Å; E64-F67 WeakPolarHBondContact O-CE1 3.34Å; F67-L100 VanDerWaalsContact O-CD1 3.27Å; F67-L100 WeakPolarHBondContact O-CD1 3.37Å; F67-I126 WeakPolarHBondContact CA-O 3.43Å; F67-I126 VanDerWaalsContact CB-O 3.3Å; F67-I126 WeakPolarHBondContact CB-O 3.43Å; F67-K129 HydrophobicContact CB-CG 3.75Å; F67-K129 HydrophobicContact CD2-CG 4.44Å; F67-K129 HydrophobicContact CG-CD 4.42Å; F67-K129 HydrophobicContact CG-CG 3.98Å |
| 68 | D | 91 | Very high | 93.7 | Very high | 36 Ų | 36 | 40 Ų | 40 | 19% | 0.193 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -3.5 | -179.7 | 71.9 | -0.6 | 0 | 0 | 0 | 113.2 | I66 L70 Q96 | I66-D68 PolarHBondContact O-N 3.2Å; D68-L70 VanDerWaalsContact C-N 3.3Å; D68-L70 PolarHBondContact O-N 3.03Å; D68-L70 VanDerWaalsContact OD1-CB 3.28Å; D68-L70 WeakPolarHBondContact OD1-CB 3.29Å; D68-L70 PolarHBondContact OD1-N 3.16Å; D68-Q96 HydrophobicContact CB-CG 4.11Å |
| 69 | G | 92.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 77.2 | 2.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I66 H73 I103 | I66-G69 PolarHBondContact O-N 2.88Å; G69-H73 WeakPolarHBondContact O-CB 3.24Å; G69-H73 PolarHBondContact O-N 3.32Å; G69-I103 WeakPolarHBondContact O-CD1 3.01Å |
| 70 | L | 92.6 | Very high | 93 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.9 | -54 | 178.6 | -178.8 | 63.3 | 0 | 0 | 0 | 111.3 | D68 L72 H73 H74 E88 | D68-L70 VanDerWaalsContact C-N 3.3Å; D68-L70 PolarHBondContact O-N 3.03Å; D68-L70 VanDerWaalsContact OD1-CB 3.28Å; D68-L70 WeakPolarHBondContact OD1-CB 3.29Å; D68-L70 PolarHBondContact OD1-N 3.16Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 3.37Å; L70-H73 WeakPolarHBondContact O-CB 3.22Å; L70-H73 PolarHBondContact O-N 3.09Å; L70-H73 VanDerWaalsContact O-N 3.16Å; L70-H74 VanDerWaalsContact CD1-NE2 3.34Å; L70-H74 WeakPolarHBondContact CD1-NE2 3.2Å; L70-H74 PolarHBondContact O-CD2 3.47Å; L70-H74 PolarHBondContact O-N 3.41Å; L70-E88 HydrophobicContact CD1-CG 4.27Å; L70-E88 WeakPolarHBondContact CD1-O 3.37Å |
| 71 | I | 95.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.7 | -43.7 | -179.8 | -59 | -59 | 0 | 0 | 0 | 111.5 | I48 L52 I57 V59 D65 I66 H73 H74 L75 | I48-I71 HydrophobicContact CG2-CG2 3.63Å; L52-I71 HydrophobicContact CD1-CG2 4.17Å; I57-I71 HydrophobicContact CG2-CD1 3.24Å; V59-I71 HydrophobicContact CG2-CD1 3.59Å; V59-I71 HydrophobicContact CG2-CG1 3.88Å; V59-I71 HydrophobicContact CG2-CG2 4.11Å; D65-I71 HydrophobicContact CB-CG1 4.49Å; D65-I71 WeakPolarHBondContact O-CG1 3.4Å; I66-I71 HydrophobicContact CG1-CB 4.36Å; I66-I71 HydrophobicContact CG1-CG2 4.36Å; I71-H73 VanDerWaalsContact C-N 3.33Å; I71-H73 PolarHBondContact O-N 3.45Å; I71-H74 PolarHBondContact O-N 3.17Å; I71-L75 HydrophobicContact CG2-CD1 3.92Å; I71-L75 HydrophobicContact CG2-CG 4.34Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 3.45Å |
| 72 | L | 95 | Very high | 92 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -37 | 179.3 | -63.5 | 177 | 0 | 0 | 0 | 112.4 | I66 L70 L75 L76 L100 I103 L104 L107 L137 L138 M141 | I66-L72 HydrophobicContact CG2-CD1 3.91Å; I66-L72 HydrophobicContact CG2-CD2 3.99Å; I66-L72 HydrophobicContact CG2-CG 3.79Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 3.37Å; L72-L75 PolarHBondContact O-N 3.39Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.06Å; L72-L100 HydrophobicContact CD1-CD2 4.14Å; L72-I103 HydrophobicContact CB-CG2 3.62Å; L72-I103 HydrophobicContact CD1-CG2 4.34Å; L72-L104 HydrophobicContact CD1-CD2 4.29Å; L72-L107 HydrophobicContact CB-CD1 4.32Å; L72-L107 HydrophobicContact CD1-CD1 4.49Å; L72-L107 HydrophobicContact CD2-CD1 4.38Å; L72-L137 HydrophobicContact CD1-CD2 3.76Å; L72-L137 HydrophobicContact CD2-CD2 4.01Å; L72-L138 HydrophobicContact CD2-CD2 4.49Å; L72-M141 HydrophobicContact CD2-CE 4.39Å; L72-M141 HydrophobicContact CD2-SD 3.83Å |
| 73 | H | 93.2 | Very high | 91.3 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 11% | 0.111 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | 174.8 | -176.8 | -168.1 | 0 | 0 | 0 | 111.1 | G69 L70 I71 L75 L76 G77 I103 | G69-H73 WeakPolarHBondContact O-CB 3.24Å; G69-H73 PolarHBondContact O-N 3.32Å; L70-H73 WeakPolarHBondContact O-CB 3.22Å; L70-H73 PolarHBondContact O-N 3.09Å; L70-H73 VanDerWaalsContact O-N 3.16Å; I71-H73 VanDerWaalsContact C-N 3.33Å; I71-H73 PolarHBondContact O-N 3.45Å; H73-L75 PolarHBondContact O-N 3.35Å; H73-L76 WeakPolarHBondContact O-CB 3.29Å; H73-L76 PolarHBondContact O-N 2.96Å; H73-G77 PolarHBondContact O-N 3.38Å; H73-I103 HydrophobicContact CB-CD1 3.79Å; H73-I103 HydrophobicContact CB-CG1 4.41Å |
| 74 | H | 93.6 | Very high | 90.8 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 12% | 0.12 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 179.7 | -70.1 | -76.5 | 0 | 0 | 0 | 112.1 | L52 E55 I57 L70 I71 L76 G77 R78 E88 | L52-H74 HydrophobicContact CD1-CB 3.98Å; L52-H74 HydrophobicContact CD2-CB 3.8Å; E55-H74 IonicContact OE2-CE1 3.95Å; E55-H74 IonicContact OE2-CG 2.76Å; E55-H74 IonicContact OE2-ND1 2.59Å; E55-H74 PolarHBondContact OE2-ND1 3.2Å; I57-H74 HydrophobicContact CD1-CB 3.92Å; I57-H74 VanDerWaalsContact CD1-CD2 3.42Å; I57-H74 WeakPolarHBondContact CD1-CD2 3.35Å; I57-H74 VanDerWaalsContact CD1-CG 3.5Å; L70-H74 VanDerWaalsContact CD1-NE2 3.34Å; L70-H74 WeakPolarHBondContact CD1-NE2 3.2Å; L70-H74 PolarHBondContact O-CD2 3.47Å; L70-H74 PolarHBondContact O-N 3.41Å; I71-H74 PolarHBondContact O-N 3.17Å; H74-L76 PolarHBondContact O-N 3.17Å; H74-G77 PolarHBondContact O-N 3.26Å; H74-R78 WeakPolarHBondContact O-CG 3.5Å; H74-R78 PolarHBondContact O-N 3.31Å; H74-E88 IonicContact CE1-OE1 2.75Å; H74-E88 PolarHBondContact CE1-OE1 3.1Å; H74-E88 IonicContact NE2-OE1 3.21Å |
| 75 | L | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 174.4 | -72.4 | 172.2 | 0 | 0 | 0 | 112.1 | I48 T51 L52 I71 L72 H73 G77 R78 L79 M141 | I48-L75 HydrophobicContact CG1-CD1 4.14Å; I48-L75 HydrophobicContact CG2-CD1 4.42Å; I48-L75 HydrophobicContact CG2-CD2 4.39Å; T51-L75 HydrophobicContact CG2-CD2 3.83Å; L52-L75 HydrophobicContact CD1-CD2 4.17Å; L52-L75 HydrophobicContact CD1-CG 4.16Å; L52-L75 HydrophobicContact CD2-CD2 3.97Å; L52-L75 HydrophobicContact CD2-CG 4.38Å; L52-L75 HydrophobicContact CG-CD2 3.93Å; L52-L75 HydrophobicContact CG-CG 4.42Å; I71-L75 HydrophobicContact CG2-CD1 3.92Å; I71-L75 HydrophobicContact CG2-CG 4.34Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 3.45Å; L72-L75 PolarHBondContact O-N 3.39Å; H73-L75 PolarHBondContact O-N 3.35Å; L75-G77 VanDerWaalsContact C-N 3.34Å; L75-G77 PolarHBondContact O-N 3.47Å; L75-R78 PolarHBondContact O-N 3.1Å; L75-L79 HydrophobicContact CB-CD1 4.28Å; L75-L79 HydrophobicContact CD2-CD1 4.24Å; L75-L79 VanDerWaalsContact O-CB 3.22Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.21Å; L75-L79 PolarHBondContact O-N 3.43Å; L75-M141 HydrophobicContact CB-CE 3.82Å; L75-M141 HydrophobicContact CD1-CE 3.98Å |
| 76 | L | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -44.7 | 174.5 | -91.7 | 179.7 | 0 | 0 | 0 | 112.2 | L72 H73 H74 R78 A80 G81 V82 L84 I103 A106 L107 | L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.06Å; H73-L76 WeakPolarHBondContact O-CB 3.29Å; H73-L76 PolarHBondContact O-N 2.96Å; H74-L76 PolarHBondContact O-N 3.17Å; L76-R78 PolarHBondContact O-N 3.45Å; L76-A80 HydrophobicContact CD2-CB 4.3Å; L76-A80 WeakPolarHBondContact O-CA 3.27Å; L76-A80 WeakPolarHBondContact O-CB 3.43Å; L76-A80 PolarHBondContact O-N 2.9Å; L76-G81 PolarHBondContact O-N 3.41Å; L76-V82 PolarHBondContact O-N 3.2Å; L76-L84 HydrophobicContact CD1-CD1 3.71Å; L76-I103 HydrophobicContact CD1-CG2 4.02Å; L76-A106 HydrophobicContact CD1-CB 4.1Å; L76-L107 HydrophobicContact CD1-CD1 4.44Å; L76-L107 HydrophobicContact CD1-CD2 4.42Å; L76-L107 HydrophobicContact CD1-CG 3.87Å; L76-L107 HydrophobicContact CD2-CD2 3.37Å; L76-L107 HydrophobicContact CD2-CG 3.69Å; L76-L107 HydrophobicContact CG-CD1 4.37Å; L76-L107 HydrophobicContact CG-CD2 3.71Å; L76-L107 HydrophobicContact CG-CG 3.72Å |
| 77 | G | 89.9 | Confident | 88 | Confident | 25 Ų | 25 | 48 Ų | 48 | 26% | 0.258 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | H73 H74 L75 G81 V82 | H73-G77 PolarHBondContact O-N 3.38Å; H74-G77 PolarHBondContact O-N 3.26Å; L75-G77 VanDerWaalsContact C-N 3.34Å; L75-G77 PolarHBondContact O-N 3.47Å; G77-G81 VanDerWaalsContact O-CA 3.26Å; G77-G81 WeakPolarHBondContact O-CA 3.24Å; G77-G81 PolarHBondContact O-N 3.45Å; G77-V82 VanDerWaalsContact CA-O 3.31Å; G77-V82 WeakPolarHBondContact CA-O 3.47Å |
| 78 | R | 90.7 | Very high | 86.6 | Confident | 114 Ų | 114 | 51.6 Ų | 51.6 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.1 | -41.6 | -177.4 | -69.8 | -69.1 | -72.9 | -170.8 | -3.3 | 114.2 | T51 L52 E54 E55 H74 L75 L76 | T51-R78 HydrophobicContact CG2-CB 4.28Å; L52-R78 HydrophobicContact CD2-CB 4.48Å; L52-R78 HydrophobicContact CD2-CG 3.92Å; E54-R78 VanDerWaalsContact CD-NH2 3.27Å; E54-R78 IonicContact OE1-NH2 3.32Å; E54-R78 IonicContact OE2-CZ 2.79Å; E54-R78 IonicContact OE2-NH1 3.81Å; E54-R78 PolarHBondContact OE2-NH1 3.48Å; E54-R78 IonicContact OE2-NH2 3.94Å; E54-R78 PolarHBondContact OE2-NH2 3.13Å; E55-R78 WeakPolarHBondContact OE1-CD 3.36Å; E55-R78 WeakPolarHBondContact OE1-CG 3.5Å; E55-R78 IonicContact OE1-NE 3.17Å; H74-R78 WeakPolarHBondContact O-CG 3.5Å; H74-R78 PolarHBondContact O-N 3.31Å; L75-R78 PolarHBondContact O-N 3.1Å; L76-R78 PolarHBondContact O-N 3.45Å |
| 79 | L | 89.2 | Confident | 85.8 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -90.5 | -36.3 | -171.7 | -63.1 | 171.9 | 0 | 0 | 0 | 112.7 | W47 T51 L75 F145 | W47-L79 HydrophobicContact CH2-CD1 4.08Å; W47-L79 HydrophobicContact CZ2-CD1 3.58Å; T51-L79 HydrophobicContact CG2-CD2 3.86Å; T51-L79 HydrophobicContact CG2-CG 4.14Å; L75-L79 HydrophobicContact CB-CD1 4.28Å; L75-L79 HydrophobicContact CD2-CD1 4.24Å; L75-L79 VanDerWaalsContact O-CB 3.22Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 VanDerWaalsContact O-CG 3.3Å; L75-L79 WeakPolarHBondContact O-CG 3.21Å; L75-L79 PolarHBondContact O-N 3.43Å; L79-F145 HydrophobicContact CB-CB 3.94Å; L79-F145 HydrophobicContact CB-CD1 4.02Å; L79-F145 HydrophobicContact CB-CD2 4.28Å; L79-F145 HydrophobicContact CB-CG 3.82Å; L79-F145 HydrophobicContact CD1-CB 3.9Å; L79-F145 HydrophobicContact CD1-CD2 4.05Å; L79-F145 HydrophobicContact CD1-CG 4.13Å; L79-F145 HydrophobicContact CD2-CB 4.21Å; L79-F145 HydrophobicContact CG-CB 4.24Å |
| 80 | A | 86.9 | Confident | 85.1 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 26% | 0.256 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -110 | -5.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L76 V82 K110 F145 | L76-A80 HydrophobicContact CD2-CB 4.3Å; L76-A80 WeakPolarHBondContact O-CA 3.27Å; L76-A80 WeakPolarHBondContact O-CB 3.43Å; L76-A80 PolarHBondContact O-N 2.9Å; A80-V82 HydrophobicContact CB-CG2 3.86Å; A80-V82 PolarHBondContact O-N 3.08Å; A80-K110 HydrophobicContact CB-CG 4.4Å; A80-F145 HydrophobicContact CB-CE1 3.86Å; A80-F145 HydrophobicContact CB-CZ 4.17Å |
| 81 | G | 85.4 | Confident | 84.4 | Confident | 63 Ų | 63 | 60 Ų | 60 | 65% | 0.649 | 34% | 0.343 | S | S | * | . | trans | 64.8 | 20.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L76 G77 | L76-G81 PolarHBondContact O-N 3.41Å; G77-G81 VanDerWaalsContact O-CA 3.26Å; G77-G81 WeakPolarHBondContact O-CA 3.24Å; G77-G81 PolarHBondContact O-N 3.45Å | ||
| 82 | V | 83.4 | Confident | 84.1 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 20% | 0.2 | 37% | 0.366 | C | S | . | . | trans | -93.5 | 117 | -176.8 | 178 | 0 | 0 | 0 | 0 | 109.5 | L76 G77 A80 L84 | L76-V82 PolarHBondContact O-N 3.2Å; G77-V82 VanDerWaalsContact CA-O 3.31Å; G77-V82 WeakPolarHBondContact CA-O 3.47Å; A80-V82 HydrophobicContact CB-CG2 3.86Å; A80-V82 PolarHBondContact O-N 3.08Å; V82-L84 HydrophobicContact CG1-CD2 3.68Å; V82-L84 HydrophobicContact CG1-CG 4.08Å | ||
| 83 | L | 80.4 | Confident | 83.8 | Confident | 160 Ų | 160 | 67.1 Ų | 67.1 | 84% | 0.838 | 39% | 0.39 | S | S | * | . | trans | -97.4 | 111 | 172.3 | -69.8 | 166.6 | 0 | 0 | 0 | 109 | ||||
| 84 | L | 81.9 | Confident | 83.5 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 16% | 0.157 | 41% | 0.406 | C | S | . | . | trans | -87.8 | 134.9 | 178 | -62 | 175.7 | 0 | 0 | 0 | 109.8 | L76 V82 V86 V102 I103 A106 | L76-L84 HydrophobicContact CD1-CD1 3.71Å; V82-L84 HydrophobicContact CG1-CD2 3.68Å; V82-L84 HydrophobicContact CG1-CG 4.08Å; L84-V86 HydrophobicContact CB-CG2 4.05Å; L84-V86 PolarHBondContact O-N 3.33Å; L84-V102 HydrophobicContact CD1-CG1 4.37Å; L84-V102 HydrophobicContact CD2-CG1 4.16Å; L84-I103 HydrophobicContact CD1-CB 4.26Å; L84-I103 HydrophobicContact CD1-CG1 3.57Å; L84-A106 HydrophobicContact CD1-CB 4.45Å; L84-A106 HydrophobicContact CD2-CB 4.01Å | ||
| 85 | S | 74.9 | Confident | 83.3 | Confident | 136 Ų | 136 | 68.3 Ų | 68.3 | 95% | 0.951 | 41% | 0.408 | S | S | * | . | trans | -80.9 | 59.6 | 175.2 | -64.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 86 | V | 78.2 | Confident | 83.1 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -121.3 | 145.8 | -179.4 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | L84 E88 K99 V102 | L84-V86 HydrophobicContact CB-CG2 4.05Å; L84-V86 PolarHBondContact O-N 3.33Å; V86-E88 PolarHBondContact O-N 3.43Å; V86-K99 HydrophobicContact CG1-CB 3.71Å; V86-K99 HydrophobicContact CG1-CD 4.15Å; V86-K99 HydrophobicContact CG1-CG 3.66Å; V86-V102 HydrophobicContact CG2-CB 3.96Å; V86-V102 HydrophobicContact CG2-CG1 3.71Å; V86-V102 HydrophobicContact CG2-CG2 4.31Å |
| 87 | E | 73.9 | Confident | 83.1 | Confident | 144 Ų | 144 | 71.4 Ų | 71.4 | 67% | 0.673 | 43% | 0.426 | S | S | * | . | trans | -55.3 | 127.9 | 174.7 | -71.3 | -179.8 | 176.8 | 0 | 0 | 110.7 | I89 | E87-I89 VanDerWaalsContact C-N 3.33Å; E87-I89 PolarHBondContact O-N 3.38Å | ||
| 88 | E | 65.2 | Low | 83.1 | Confident | 119 Ų | 119 | 78.4 Ų | 78.4 | 56% | 0.556 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -63.4 | -42.8 | -176.8 | -163.6 | 172.2 | -167.9 | 0 | 0 | 110.5 | L70 H74 V86 K99 | L70-E88 HydrophobicContact CD1-CG 4.27Å; L70-E88 WeakPolarHBondContact CD1-O 3.37Å; H74-E88 IonicContact CE1-OE1 2.75Å; H74-E88 PolarHBondContact CE1-OE1 3.1Å; H74-E88 IonicContact NE2-OE1 3.21Å; V86-E88 PolarHBondContact O-N 3.43Å; E88-K99 PolarHBondContact O-NZ 2.91Å |
| 89 | I | 73.3 | Confident | 83.1 | Confident | 130 Ų | 130 | 73.1 Ų | 73.1 | 67% | 0.667 | 43% | 0.425 | S | S | * | . | trans | -110.1 | 110.2 | 178.3 | -55.7 | 176.3 | 0 | 0 | 0 | 109.7 | E87 V91 | E87-I89 VanDerWaalsContact C-N 3.33Å; E87-I89 PolarHBondContact O-N 3.38Å; I89-V91 HydrophobicContact CG2-CG2 3.92Å | ||
| 90 | A | 78.2 | Confident | 83.4 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 7% | 0.066 | 41% | 0.413 | C | S | . | . | trans | -104.6 | 103.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A95 Q96 K99 | A90-A95 HydrophobicContact CB-CB 3.9Å; A90-Q96 HydrophobicContact CB-CG 3.92Å; A90-Q96 VanDerWaalsContact O-CG 3.22Å; A90-Q96 WeakPolarHBondContact O-CG 3.49Å; A90-Q96 PolarHBondContact O-NE2 3.33Å; A90-Q96 VanDerWaalsContact O-NE2 3.1Å; A90-K99 HydrophobicContact CB-CD 4.04Å | ||
| 91 | V | 79.3 | Confident | 83.6 | Confident | 124 Ų | 124 | 74.2 Ų | 74.2 | 75% | 0.752 | 42% | 0.423 | S | S | * | . | trans | -84.5 | -29.7 | -173.8 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | I89 | I89-V91 HydrophobicContact CG2-CG2 3.92Š| ||
| 92 | T | 88.1 | Confident | 84 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -94.3 | 147.4 | -177.4 | 69.5 | 0 | 0 | 0 | 0 | 111.3 | A94 A95 Q96 | T92-A94 VanDerWaalsContact C-N 3.27Å; T92-A94 PolarHBondContact O-N 3.11Å; T92-A95 PolarHBondContact O-N 2.78Å; T92-A95 VanDerWaalsContact OG1-CB 3.25Å; T92-A95 WeakPolarHBondContact OG1-CB 3.47Å; T92-A95 PolarHBondContact OG1-N 2.86Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.7Å |
| 93 | S | 88.2 | Confident | 84.4 | Confident | 73 Ų | 73 | 72.6 Ų | 72.6 | 51% | 0.51 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -50.9 | -46 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | A95 Q96 T97 H127 | S93-A95 PolarHBondContact O-N 2.9Å; S93-Q96 WeakPolarHBondContact O-CB 3.36Å; S93-Q96 PolarHBondContact O-N 3.15Å; S93-T97 PolarHBondContact O-N 3.49Å; S93-T97 PolarHBondContact O-OG1 3.4Å; S93-H127 PolarHBondContact OG-CE1 3.44Å; S93-H127 VanDerWaalsContact OG-CE1 3.22Å |
| 94 | A | 88.1 | Confident | 85 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 45% | 0.446 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -36.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T92 R98 | T92-A94 VanDerWaalsContact C-N 3.27Å; T92-A94 PolarHBondContact O-N 3.11Å; A94-R98 WeakPolarHBondContact O-CG 3.24Å; A94-R98 PolarHBondContact O-N 3.1Å |
| 95 | A | 87.9 | Confident | 85.4 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70.4 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A90 T92 S93 R98 K99 | A90-A95 HydrophobicContact CB-CB 3.9Å; T92-A95 PolarHBondContact O-N 2.78Å; T92-A95 VanDerWaalsContact OG1-CB 3.25Å; T92-A95 WeakPolarHBondContact OG1-CB 3.47Å; T92-A95 PolarHBondContact OG1-N 2.86Å; S93-A95 PolarHBondContact O-N 2.9Å; A95-R98 PolarHBondContact O-N 2.72Å; A95-K99 WeakPolarHBondContact O-CB 3.26Å; A95-K99 PolarHBondContact O-N 3.14Å |
| 96 | Q | 90.1 | Very high | 86.2 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 12% | 0.117 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 175.8 | -67.7 | 168.3 | -11.8 | 0 | 0 | 111.4 | D68 A90 T92 S93 K99 L100 H127 | D68-Q96 HydrophobicContact CB-CG 4.11Å; A90-Q96 HydrophobicContact CB-CG 3.92Å; A90-Q96 VanDerWaalsContact O-CG 3.22Å; A90-Q96 WeakPolarHBondContact O-CG 3.49Å; A90-Q96 PolarHBondContact O-NE2 3.33Å; A90-Q96 VanDerWaalsContact O-NE2 3.1Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.7Å; S93-Q96 WeakPolarHBondContact O-CB 3.36Å; S93-Q96 PolarHBondContact O-N 3.15Å; Q96-K99 PolarHBondContact O-N 3.01Å; Q96-L100 WeakPolarHBondContact O-CB 3.4Å; Q96-L100 PolarHBondContact O-N 2.97Å; Q96-H127 PolarHBondContact OE1-NE2 3.03Å |
| 97 | T | 91.9 | Very high | 86.7 | Confident | 41 Ų | 41 | 63 Ų | 63 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.2 | -50.3 | 175.2 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | S93 K99 L100 E101 V123 | S93-T97 PolarHBondContact O-N 3.49Å; S93-T97 PolarHBondContact O-OG1 3.4Å; T97-K99 VanDerWaalsContact C-N 3.32Å; T97-K99 PolarHBondContact O-N 2.76Å; T97-L100 PolarHBondContact O-N 2.75Å; T97-E101 WeakPolarHBondContact O-CG 3.24Å; T97-E101 PolarHBondContact O-N 3.3Å; T97-V123 HydrophobicContact CG2-CG1 3.64Å |
| 98 | R | 90.2 | Very high | 87.4 | Confident | 172 Ų | 172 | 56.6 Ų | 56.6 | 65% | 0.649 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.7 | -39.4 | 177.6 | -71.2 | 174.1 | -174.2 | 161.7 | 2.3 | 112.6 | A94 A95 E101 V102 | A94-R98 WeakPolarHBondContact O-CG 3.24Å; A94-R98 PolarHBondContact O-N 3.1Å; A95-R98 PolarHBondContact O-N 2.72Å; R98-E101 WeakPolarHBondContact O-CB 3.35Å; R98-E101 PolarHBondContact O-N 2.82Å; R98-V102 PolarHBondContact O-N 3.32Å |
| 99 | K | 91.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 175.8 | 171.8 | 170.9 | -176.8 | -169.4 | 0 | 111 | V86 E88 A90 A95 Q96 T97 E101 V102 I103 | V86-K99 HydrophobicContact CG1-CB 3.71Å; V86-K99 HydrophobicContact CG1-CD 4.15Å; V86-K99 HydrophobicContact CG1-CG 3.66Å; E88-K99 PolarHBondContact O-NZ 2.91Å; A90-K99 HydrophobicContact CB-CD 4.04Å; A95-K99 WeakPolarHBondContact O-CB 3.26Å; A95-K99 PolarHBondContact O-N 3.14Å; Q96-K99 PolarHBondContact O-N 3.01Å; T97-K99 VanDerWaalsContact C-N 3.32Å; T97-K99 PolarHBondContact O-N 2.76Å; K99-E101 VanDerWaalsContact C-N 3.35Å; K99-E101 PolarHBondContact O-N 2.8Å; K99-V102 PolarHBondContact O-N 3.28Å; K99-I103 HydrophobicContact CD-CD1 4.34Å; K99-I103 HydrophobicContact CG-CD1 3.52Å; K99-I103 HydrophobicContact CG-CG1 4.47Å; K99-I103 WeakPolarHBondContact O-CB 3.43Å; K99-I103 WeakPolarHBondContact O-CD1 3.4Å; K99-I103 VanDerWaalsContact O-CG1 3.22Å; K99-I103 WeakPolarHBondContact O-CG1 2.89Å; K99-I103 PolarHBondContact O-N 2.91Å |
| 100 | L | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 175.8 | -81 | 174.9 | 0 | 0 | 0 | 113.1 | F67 L72 Q96 T97 I103 L104 V123 I126 H127 | F67-L100 VanDerWaalsContact O-CD1 3.27Å; F67-L100 WeakPolarHBondContact O-CD1 3.37Å; L72-L100 HydrophobicContact CD1-CD2 4.14Å; Q96-L100 WeakPolarHBondContact O-CB 3.4Å; Q96-L100 PolarHBondContact O-N 2.97Å; T97-L100 PolarHBondContact O-N 2.75Å; L100-I103 PolarHBondContact O-N 2.86Å; L100-L104 VanDerWaalsContact O-CB 3.24Å; L100-L104 WeakPolarHBondContact O-CB 3.49Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 3.36Å; L100-V123 HydrophobicContact CB-CG1 3.86Å; L100-V123 HydrophobicContact CB-CG2 4.37Å; L100-V123 HydrophobicContact CD1-CG1 4.35Å; L100-I126 HydrophobicContact CD1-CB 4.45Å; L100-I126 HydrophobicContact CD1-CG2 4.18Å; L100-I126 HydrophobicContact CD2-CG2 3.91Å; L100-H127 HydrophobicContact CD1-CB 3.77Å |
| 101 | E | 92.2 | Very high | 89.3 | Confident | 101 Ų | 101 | 57.1 Ų | 57.1 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.6 | -53 | 175.1 | -76.1 | 166.6 | 177 | 0 | 0 | 110.7 | T97 R98 K99 I103 E105 V123 | T97-E101 WeakPolarHBondContact O-CG 3.24Å; T97-E101 PolarHBondContact O-N 3.3Å; R98-E101 WeakPolarHBondContact O-CB 3.35Å; R98-E101 PolarHBondContact O-N 2.82Å; K99-E101 VanDerWaalsContact C-N 3.35Å; K99-E101 PolarHBondContact O-N 2.8Å; E101-I103 PolarHBondContact O-N 2.79Å; E101-E105 VanDerWaalsContact O-CB 3.28Å; E101-E105 WeakPolarHBondContact O-CB 3.3Å; E101-E105 PolarHBondContact O-N 3.27Å; E101-V123 HydrophobicContact CB-CG2 4.38Å; E101-V123 HydrophobicContact CG-CG1 4.28Å; E101-V123 HydrophobicContact CG-CG2 3.78Å |
| 102 | V | 92.6 | Very high | 89.3 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | -179.9 | 179 | 0 | 0 | 0 | 0 | 111.6 | L84 V86 R98 K99 A106 | L84-V102 HydrophobicContact CD1-CG1 4.37Å; L84-V102 HydrophobicContact CD2-CG1 4.16Å; V86-V102 HydrophobicContact CG2-CB 3.96Å; V86-V102 HydrophobicContact CG2-CG1 3.71Å; V86-V102 HydrophobicContact CG2-CG2 4.31Å; R98-V102 PolarHBondContact O-N 3.32Å; K99-V102 PolarHBondContact O-N 3.28Å; V102-A106 PolarHBondContact O-N 3.1Å; V102-A106 VanDerWaalsContact O-N 3.12Å |
| 103 | I | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -47.2 | -179.6 | -71.2 | 167.5 | 0 | 0 | 0 | 111.6 | G69 L72 H73 L76 L84 K99 L100 E101 A106 L107 | G69-I103 WeakPolarHBondContact O-CD1 3.01Å; L72-I103 HydrophobicContact CB-CG2 3.62Å; L72-I103 HydrophobicContact CD1-CG2 4.34Å; H73-I103 HydrophobicContact CB-CD1 3.79Å; H73-I103 HydrophobicContact CB-CG1 4.41Å; L76-I103 HydrophobicContact CD1-CG2 4.02Å; L84-I103 HydrophobicContact CD1-CB 4.26Å; L84-I103 HydrophobicContact CD1-CG1 3.57Å; K99-I103 HydrophobicContact CD-CD1 4.34Å; K99-I103 HydrophobicContact CG-CD1 3.52Å; K99-I103 HydrophobicContact CG-CG1 4.47Å; K99-I103 WeakPolarHBondContact O-CB 3.43Å; K99-I103 WeakPolarHBondContact O-CD1 3.4Å; K99-I103 VanDerWaalsContact O-CG1 3.22Å; K99-I103 WeakPolarHBondContact O-CG1 2.89Å; K99-I103 PolarHBondContact O-N 2.91Å; L100-I103 PolarHBondContact O-N 2.86Å; E101-I103 PolarHBondContact O-N 2.79Å; I103-A106 PolarHBondContact O-N 3.01Å; I103-L107 HydrophobicContact CG2-CD1 3.84Å; I103-L107 WeakPolarHBondContact O-CB 3.5Å; I103-L107 PolarHBondContact O-N 3.46Å |
| 104 | L | 93 | Very high | 86.8 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.3 | -32.3 | -178.1 | -69.3 | -177.5 | 0 | 0 | 0 | 111.6 | L72 L100 L107 N108 V123 I126 L137 | L72-L104 HydrophobicContact CD1-CD2 4.29Å; L100-L104 VanDerWaalsContact O-CB 3.24Å; L100-L104 WeakPolarHBondContact O-CB 3.49Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 3.36Å; L104-L107 HydrophobicContact CD2-CD1 4.22Å; L104-L107 PolarHBondContact O-N 3.19Å; L104-N108 WeakPolarHBondContact O-CB 3.34Å; L104-N108 PolarHBondContact O-N 2.8Å; L104-N108 PolarHBondContact O-ND2 3.49Å; L104-N108 PolarHBondContact O-OD1 3.45Å; L104-V123 HydrophobicContact CD1-CB 4.42Å; L104-V123 HydrophobicContact CD1-CG2 3.83Å; L104-I126 HydrophobicContact CD1-CG1 4.29Å; L104-L137 HydrophobicContact CD2-CD1 4.36Å; L104-L137 HydrophobicContact CD2-CD2 3.75Å |
| 105 | E | 90.3 | Very high | 85.2 | Confident | 140 Ų | 140 | 60 Ų | 60 | 65% | 0.654 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.1 | -51.1 | 170.6 | -175.7 | 172.7 | -162 | 0 | 0 | 110.9 | E101 L107 N108 E109 | E101-E105 VanDerWaalsContact O-CB 3.28Å; E101-E105 WeakPolarHBondContact O-CB 3.3Å; E101-E105 PolarHBondContact O-N 3.27Å; E105-L107 PolarHBondContact O-N 2.82Å; E105-N108 PolarHBondContact O-N 3.26Å; E105-E109 PolarHBondContact O-N 2.94Å |
| 106 | A | 90.4 | Very high | 83.6 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L76 L84 V102 I103 K110 | L76-A106 HydrophobicContact CD1-CB 4.1Å; L84-A106 HydrophobicContact CD1-CB 4.45Å; L84-A106 HydrophobicContact CD2-CB 4.01Å; V102-A106 PolarHBondContact O-N 3.1Å; V102-A106 VanDerWaalsContact O-N 3.12Å; I103-A106 PolarHBondContact O-N 3.01Å; A106-K110 WeakPolarHBondContact O-CG 3.22Å; A106-K110 PolarHBondContact O-N 2.95Å |
| 107 | L | 89.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 175.6 | -84.5 | 166.4 | 0 | 0 | 0 | 111.6 | L72 L76 I103 L104 E105 E109 K110 L111 L137 M141 F145 | L72-L107 HydrophobicContact CB-CD1 4.32Å; L72-L107 HydrophobicContact CD1-CD1 4.49Å; L72-L107 HydrophobicContact CD2-CD1 4.38Å; L76-L107 HydrophobicContact CD1-CD1 4.44Å; L76-L107 HydrophobicContact CD1-CD2 4.42Å; L76-L107 HydrophobicContact CD1-CG 3.87Å; L76-L107 HydrophobicContact CD2-CD2 3.37Å; L76-L107 HydrophobicContact CD2-CG 3.69Å; L76-L107 HydrophobicContact CG-CD1 4.37Å; L76-L107 HydrophobicContact CG-CD2 3.71Å; L76-L107 HydrophobicContact CG-CG 3.72Å; I103-L107 HydrophobicContact CG2-CD1 3.84Å; I103-L107 WeakPolarHBondContact O-CB 3.5Å; I103-L107 PolarHBondContact O-N 3.46Å; L104-L107 HydrophobicContact CD2-CD1 4.22Å; L104-L107 PolarHBondContact O-N 3.19Å; E105-L107 PolarHBondContact O-N 2.82Å; L107-E109 VanDerWaalsContact C-N 3.27Å; L107-E109 PolarHBondContact O-N 3.27Å; L107-K110 PolarHBondContact O-N 3.47Å; L107-K110 VanDerWaalsContact O-N 3.09Å; L107-L111 WeakPolarHBondContact O-CB 3.28Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.43Å; L107-L111 PolarHBondContact O-N 2.97Å; L107-L137 HydrophobicContact CD1-CD1 4.38Å; L107-M141 HydrophobicContact CD1-CE 4.46Å; L107-M141 HydrophobicContact CD1-SD 4.06Å; L107-M141 HydrophobicContact CD2-CE 3.69Å; L107-M141 HydrophobicContact CD2-CG 4.01Å; L107-M141 HydrophobicContact CD2-SD 3.85Å; L107-F145 HydrophobicContact CD2-CE2 4.2Å |
| 108 | N | 89.3 | Confident | 80 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 6% | 0.059 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.5 | -39.1 | -179.4 | -74.3 | -12.3 | 0 | 0 | 0 | 111.3 | L104 E105 L111 G112 L113 W121 | L104-N108 WeakPolarHBondContact O-CB 3.34Å; L104-N108 PolarHBondContact O-N 2.8Å; L104-N108 PolarHBondContact O-ND2 3.49Å; L104-N108 PolarHBondContact O-OD1 3.45Å; E105-N108 PolarHBondContact O-N 3.26Å; N108-L111 PolarHBondContact O-N 3.49Å; N108-G112 PolarHBondContact O-N 3.32Å; N108-L113 HydrophobicContact CB-CB 4.21Å; N108-L113 PolarHBondContact O-N 2.87Å; N108-W121 PolarHBondContact OD1-NE1 2.83Å |
| 109 | E | 87 | Confident | 78.9 | Confident | 138 Ų | 138 | 63.9 Ų | 63.9 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59 | -47.5 | 173 | -168.5 | -167.5 | 154.5 | 0 | 0 | 111.6 | E105 L107 L111 G112 | E105-E109 PolarHBondContact O-N 2.94Å; L107-E109 VanDerWaalsContact C-N 3.27Å; L107-E109 PolarHBondContact O-N 3.27Å; E109-L111 PolarHBondContact O-N 3.36Å; E109-G112 PolarHBondContact O-N 3.01Å; E109-G112 VanDerWaalsContact O-N 3.14Å |
| 110 | K | 83.7 | Confident | 78.7 | Confident | 96 Ų | 96 | 70.3 Ų | 70.3 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68 | -32.9 | 178.9 | -65.2 | -56.6 | 179.5 | -165 | 0 | 113.6 | A80 A106 L107 G112 F145 | A80-K110 HydrophobicContact CB-CG 4.4Å; A106-K110 WeakPolarHBondContact O-CG 3.22Å; A106-K110 PolarHBondContact O-N 2.95Å; L107-K110 PolarHBondContact O-N 3.47Å; L107-K110 VanDerWaalsContact O-N 3.09Å; K110-G112 PolarHBondContact O-N 3.22Å; K110-F145 HydrophobicContact CB-CE1 4.35Å; K110-F145 HydrophobicContact CB-CZ 3.81Å; K110-F145 HydrophobicContact CG-CZ 4.42Å |
| 111 | L | 84.5 | Confident | 78.6 | Confident | 33 Ų | 33 | 71.1 Ų | 71.1 | 17% | 0.173 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -2.8 | 175.2 | -64.1 | 175.7 | 0 | 0 | 0 | 112.7 | L107 N108 E109 L113 W121 L137 A140 C144 | L107-L111 WeakPolarHBondContact O-CB 3.28Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.43Å; L107-L111 PolarHBondContact O-N 2.97Å; N108-L111 PolarHBondContact O-N 3.49Å; E109-L111 PolarHBondContact O-N 3.36Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 HydrophobicContact CB-CD1 4.1Å; L111-L113 HydrophobicContact CB-CG 4.11Å; L111-L113 HydrophobicContact CD1-CD1 4.38Å; L111-L113 PolarHBondContact O-N 2.77Å; L111-W121 HydrophobicContact CD1-CH2 4.13Å; L111-W121 HydrophobicContact CD1-CZ2 3.68Å; L111-L137 HydrophobicContact CD1-CD1 4.36Å; L111-A140 HydrophobicContact CD1-CB 4.1Å; L111-A140 HydrophobicContact CD2-CB 4.35Å; L111-A140 WeakPolarHBondContact CD2-O 3.32Å; L111-C144 HydrophobicContact CD2-CB 3.44Å; L111-C144 VanDerWaalsContact CD2-CB 3.44Å |
| 112 | G | 79.1 | Confident | 78.6 | Confident | 56 Ų | 56 | 68.7 Ų | 68.7 | 58% | 0.577 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 18.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N108 E109 K110 Q114 | N108-G112 PolarHBondContact O-N 3.32Å; E109-G112 PolarHBondContact O-N 3.01Å; E109-G112 VanDerWaalsContact O-N 3.14Å; K110-G112 PolarHBondContact O-N 3.22Å; G112-Q114 PolarHBondContact O-N 3.12Å |
| 113 | L | 73.1 | Confident | 78.6 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 28% | 0.277 | 36% | 0.363 | S | S | . | . | trans | -90.6 | 84.4 | 179.8 | -61.6 | 173.6 | 0 | 0 | 0 | 109.6 | N108 L111 D115 W121 | N108-L113 HydrophobicContact CB-CB 4.21Å; N108-L113 PolarHBondContact O-N 2.87Å; L111-L113 VanDerWaalsContact C-N 3.28Å; L111-L113 HydrophobicContact CB-CD1 4.1Å; L111-L113 HydrophobicContact CB-CG 4.11Å; L111-L113 HydrophobicContact CD1-CD1 4.38Å; L111-L113 PolarHBondContact O-N 2.77Å; L113-D115 VanDerWaalsContact C-N 3.26Å; L113-D115 PolarHBondContact O-N 2.85Å; L113-W121 HydrophobicContact CD1-CH2 3.57Å; L113-W121 HydrophobicContact CD1-CZ2 3.27Å | ||
| 114 | Q | 50.8 | Low | 78.5 | Confident | 182 Ų | 182 | 73.7 Ų | 73.7 | 85% | 0.85 | 39% | 0.392 | S | S | * | . | trans | -70.1 | -22.7 | 176.2 | -67 | -91.3 | -11.5 | 0 | 0 | 112.5 | G112 | G112-Q114 PolarHBondContact O-N 3.12Š| ||
| 115 | D | 55.7 | Low | 78.5 | Confident | 105 Ų | 105 | 76.2 Ų | 76.2 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | trans | -113.1 | 101.7 | 177 | -84.6 | -41.9 | 0 | 0 | 0 | 111.2 | L113 S117 L118 | L113-D115 VanDerWaalsContact C-N 3.26Å; L113-D115 PolarHBondContact O-N 2.85Å; D115-S117 PolarHBondContact O-N 3.25Å; D115-L118 HydrophobicContact CB-CD1 4.28Å; D115-L118 HydrophobicContact CB-CG 4.44Å; D115-L118 PolarHBondContact O-N 3.36Å; D115-L118 VanDerWaalsContact O-N 3.14Å | ||
| 116 | S | 53.2 | Low | 78.7 | Confident | 80 Ų | 80 | 69.6 Ų | 69.6 | 56% | 0.559 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -6.9 | 176.2 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | L118 S119 | S116-L118 VanDerWaalsContact C-N 3.33Å; S116-S119 PolarHBondContact O-OG 2.92Å |
| 117 | S | 51.2 | Low | 78.9 | Confident | 106 Ų | 106 | 70.8 Ų | 70.8 | 74% | 0.741 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.2 | 175.8 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | D115 | D115-S117 PolarHBondContact O-N 3.25Š|
| 118 | L | 55.8 | Low | 79.1 | Confident | 135 Ų | 135 | 74.3 Ų | 74.3 | 71% | 0.707 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -99.1 | -10.4 | 177.9 | -63.8 | 174.9 | 0 | 0 | 0 | 112.8 | D115 S116 | D115-L118 HydrophobicContact CB-CD1 4.28Å; D115-L118 HydrophobicContact CB-CG 4.44Å; D115-L118 PolarHBondContact O-N 3.36Å; D115-L118 VanDerWaalsContact O-N 3.14Å; S116-L118 VanDerWaalsContact C-N 3.33Å |
| 119 | S | 67.9 | Low | 79.4 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | trans | -73.2 | 135.4 | 178 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | S116 W121 | S116-S119 PolarHBondContact O-OG 2.92Å; S119-W121 PolarHBondContact O-N 2.98Å; S119-W121 PolarHBondContact OG-O 2.95Å; S119-W121 VanDerWaalsContact OG-O 3.06Å | ||
| 120 | R | 86.2 | Confident | 79.7 | Confident | 137 Ų | 137 | 72.2 Ų | 72.2 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -77 | 6.8 | 176.1 | -64 | -176.7 | 172.6 | 125.4 | -1.5 | 113.3 | H136 E176 | R120-H136 HydrophobicContact CB-CB 3.96Å; R120-H136 WeakPolarHBondContact CD-CE1 3.31Å; R120-H136 WeakPolarHBondContact CD-ND1 3.26Å; R120-H136 WeakPolarHBondContact CD-NE2 3.13Å; R120-E176 VanDerWaalsContact CD-OE1 3.26Å; R120-E176 WeakPolarHBondContact CD-OE1 3.13Å; R120-E176 IonicContact CZ-OE1 3.57Å; R120-E176 IonicContact NE-OE1 3.79Å; R120-E176 PolarHBondContact NE-OE1 3.48Å; R120-E176 IonicContact NH2-OE1 3.08Å |
| 121 | W | 92.1 | Very high | 80.2 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 7% | 0.068 | 38% | 0.375 | C | S | . | . | trans | -131.8 | 157.2 | 178 | 57.3 | 88.9 | 0 | 0 | 0 | 110.2 | N108 L111 L113 S119 I126 A133 H136 L137 A140 | N108-W121 PolarHBondContact OD1-NE1 2.83Å; L111-W121 HydrophobicContact CD1-CH2 4.13Å; L111-W121 HydrophobicContact CD1-CZ2 3.68Å; L113-W121 HydrophobicContact CD1-CH2 3.57Å; L113-W121 HydrophobicContact CD1-CZ2 3.27Å; S119-W121 PolarHBondContact O-N 2.98Å; S119-W121 PolarHBondContact OG-O 2.95Å; S119-W121 VanDerWaalsContact OG-O 3.06Å; W121-I126 HydrophobicContact CB-CD1 4.19Å; W121-I126 HydrophobicContact CB-CG1 4.37Å; W121-A133 HydrophobicContact CB-CB 4.06Å; W121-H136 HydrophobicContact CE3-CB 3.94Å; W121-H136 HydrophobicContact CZ3-CB 4.16Å; W121-L137 HydrophobicContact CB-CB 4.41Å; W121-L137 HydrophobicContact CD2-CB 3.99Å; W121-L137 HydrophobicContact CD2-CD1 4.05Å; W121-L137 HydrophobicContact CE3-CB 4.16Å; W121-L137 HydrophobicContact CG-CB 4.11Å; W121-L137 HydrophobicContact CG-CD1 4.29Å; W121-L137 HydrophobicContact CZ2-CD1 4.01Å; W121-A140 HydrophobicContact CH2-CB 3.71Å; W121-A140 HydrophobicContact CZ3-CB 4.15Å | ||
| 122 | S | 91.1 | Very high | 80.6 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | trans | -150.5 | 166.2 | 171.9 | 65.9 | 0 | 0 | 0 | 0 | 109.4 | K124 L125 I126 | S122-K124 PolarHBondContact O-N 3.2Å; S122-L125 PolarHBondContact O-N 3.49Å; S122-L125 VanDerWaalsContact O-N 3.1Å; S122-L125 WeakPolarHBondContact OG-CG 3.44Å; S122-L125 PolarHBondContact OG-N 3.44Å; S122-I126 WeakPolarHBondContact O-CG1 3.44Å; S122-I126 PolarHBondContact O-N 2.86Å | ||
| 123 | V | 93.3 | Very high | 81.3 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 18% | 0.176 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -52.2 | -45.9 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 111 | T97 L100 E101 L104 L125 H127 | T97-V123 HydrophobicContact CG2-CG1 3.64Å; L100-V123 HydrophobicContact CB-CG1 3.86Å; L100-V123 HydrophobicContact CB-CG2 4.37Å; L100-V123 HydrophobicContact CD1-CG1 4.35Å; E101-V123 HydrophobicContact CB-CG2 4.38Å; E101-V123 HydrophobicContact CG-CG1 4.28Å; E101-V123 HydrophobicContact CG-CG2 3.78Å; L104-V123 HydrophobicContact CD1-CB 4.42Å; L104-V123 HydrophobicContact CD1-CG2 3.83Å; V123-L125 PolarHBondContact O-N 3.49Å; V123-H127 WeakPolarHBondContact O-CB 3.3Å; V123-H127 PolarHBondContact O-N 3.39Å |
| 124 | K | 91.8 | Very high | 82.4 | Confident | 137 Ų | 137 | 62.1 Ų | 62.1 | 60% | 0.596 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.9 | -46.8 | 178.7 | -176.6 | 178 | 177.1 | 179.2 | 0 | 111.4 | E22 S122 S128 | E22-K124 IonicContact OE1-NZ 2.88Å; E22-K124 PolarHBondContact OE1-NZ 3Å; S122-K124 PolarHBondContact O-N 3.2Å; K124-S128 VanDerWaalsContact O-CB 3.23Å; K124-S128 WeakPolarHBondContact O-CB 3.42Å; K124-S128 PolarHBondContact O-N 2.96Å; K124-S128 PolarHBondContact O-OG 3.05Å |
| 125 | L | 92.8 | Very high | 84.6 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.7 | -45.8 | -177 | -68.6 | 170.5 | 0 | 0 | 0 | 112.1 | S122 V123 S128 K129 D130 A133 | S122-L125 PolarHBondContact O-N 3.49Å; S122-L125 VanDerWaalsContact O-N 3.1Å; S122-L125 WeakPolarHBondContact OG-CG 3.44Å; S122-L125 PolarHBondContact OG-N 3.44Å; V123-L125 PolarHBondContact O-N 3.49Å; L125-S128 WeakPolarHBondContact CA-OG 3.49Å; L125-S128 PolarHBondContact O-N 3.5Å; L125-S128 PolarHBondContact O-OG 3.48Å; L125-K129 PolarHBondContact O-N 3.19Å; L125-D130 HydrophobicContact CB-CB 4.05Å; L125-D130 HydrophobicContact CD2-CB 4.26Å; L125-D130 WeakPolarHBondContact O-CB 3.31Å; L125-D130 PolarHBondContact O-N 3.5Å; L125-A133 HydrophobicContact CB-CB 3.67Å; L125-A133 HydrophobicContact CD1-CB 4.14Å; L125-A133 HydrophobicContact CG-CB 4.46Å |
| 126 | I | 95.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 178.9 | -61.2 | -58 | 0 | 0 | 0 | 110.3 | I66 F67 L100 L104 W121 S122 S128 K129 A133 L137 | I66-I126 HydrophobicContact CG2-CG2 4.42Å; F67-I126 WeakPolarHBondContact CA-O 3.43Å; F67-I126 VanDerWaalsContact CB-O 3.3Å; F67-I126 WeakPolarHBondContact CB-O 3.43Å; L100-I126 HydrophobicContact CD1-CB 4.45Å; L100-I126 HydrophobicContact CD1-CG2 4.18Å; L100-I126 HydrophobicContact CD2-CG2 3.91Å; L104-I126 HydrophobicContact CD1-CG1 4.29Å; W121-I126 HydrophobicContact CB-CD1 4.19Å; W121-I126 HydrophobicContact CB-CG1 4.37Å; S122-I126 WeakPolarHBondContact O-CG1 3.44Å; S122-I126 PolarHBondContact O-N 2.86Å; I126-S128 VanDerWaalsContact C-N 3.27Å; I126-S128 PolarHBondContact O-N 3.06Å; I126-K129 PolarHBondContact O-N 2.75Å; I126-A133 HydrophobicContact CD1-CB 4.06Å; I126-L137 HydrophobicContact CD1-CD2 4.06Å; I126-L137 HydrophobicContact CG1-CD2 4.36Å |
| 127 | H | 94.8 | Very high | 88.4 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -33.1 | 178.5 | -169.4 | -108 | 0 | 0 | 0 | 112.6 | S93 Q96 L100 V123 K129 | S93-H127 PolarHBondContact OG-CE1 3.44Å; S93-H127 VanDerWaalsContact OG-CE1 3.22Å; Q96-H127 PolarHBondContact OE1-NE2 3.03Å; L100-H127 HydrophobicContact CD1-CB 3.77Å; V123-H127 WeakPolarHBondContact O-CB 3.3Å; V123-H127 PolarHBondContact O-N 3.39Å; H127-K129 PolarHBondContact O-N 2.76Å |
| 128 | S | 92.9 | Very high | 90.6 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 51% | 0.51 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 11.7 | 174.2 | 69.6 | 0 | 0 | 0 | 0 | 114.6 | K124 L125 I126 D130 | K124-S128 VanDerWaalsContact O-CB 3.23Å; K124-S128 WeakPolarHBondContact O-CB 3.42Å; K124-S128 PolarHBondContact O-N 2.96Å; K124-S128 PolarHBondContact O-OG 3.05Å; L125-S128 WeakPolarHBondContact CA-OG 3.49Å; L125-S128 PolarHBondContact O-N 3.5Å; L125-S128 PolarHBondContact O-OG 3.48Å; I126-S128 VanDerWaalsContact C-N 3.27Å; I126-S128 PolarHBondContact O-N 3.06Å; S128-D130 VanDerWaalsContact C-N 3.27Å; S128-D130 PolarHBondContact O-N 2.95Å |
| 129 | K | 94.6 | Very high | 92.4 | Very high | 71 Ų | 71 | 33.9 Ų | 33.9 | 31% | 0.309 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 36.2 | -179.9 | -50.6 | -172.3 | 178.2 | 179 | 0 | 113.3 | E63 E64 F67 L125 I126 H127 L131 | E63-K129 HydrophobicContact CB-CB 4.26Å; E63-K129 WeakPolarHBondContact O-CG 3.31Å; E64-K129 IonicContact OE1-NZ 2.92Å; E64-K129 IonicContact OE2-NZ 2.67Å; E64-K129 PolarHBondContact OE2-NZ 3.27Å; F67-K129 HydrophobicContact CB-CG 3.75Å; F67-K129 HydrophobicContact CD2-CG 4.44Å; F67-K129 HydrophobicContact CG-CD 4.42Å; F67-K129 HydrophobicContact CG-CG 3.98Å; L125-K129 PolarHBondContact O-N 3.19Å; I126-K129 PolarHBondContact O-N 2.75Å; H127-K129 PolarHBondContact O-N 2.76Å; K129-L131 PolarHBondContact O-N 3.36Å; K129-L131 VanDerWaalsContact O-N 3.09Å |
| 130 | D | 93.4 | Very high | 93.6 | Very high | 34 Ų | 34 | 34.1 Ų | 34.1 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | trans | -71.2 | 107.2 | 176.3 | -170.8 | -63.1 | 0 | 0 | 0 | 109.7 | L125 S128 L132 A133 T134 | L125-D130 HydrophobicContact CB-CB 4.05Å; L125-D130 HydrophobicContact CD2-CB 4.26Å; L125-D130 WeakPolarHBondContact O-CB 3.31Å; L125-D130 PolarHBondContact O-N 3.5Å; S128-D130 VanDerWaalsContact C-N 3.27Å; S128-D130 PolarHBondContact O-N 2.95Å; D130-L132 VanDerWaalsContact C-N 3.27Å; D130-L132 PolarHBondContact O-N 3.35Å; D130-L132 WeakPolarHBondContact OD1-CA 3.38Å; D130-L132 WeakPolarHBondContact OD1-CB 3.49Å; D130-L132 PolarHBondContact OD1-N 2.85Å; D130-A133 HydrophobicContact CB-CB 4.03Å; D130-A133 PolarHBondContact O-N 2.95Å; D130-A133 PolarHBondContact OD1-N 3.49Å; D130-T134 WeakPolarHBondContact O-CB 3.3Å; D130-T134 PolarHBondContact O-N 2.8Å; D130-T134 PolarHBondContact O-OG1 3.25Å | ||
| 131 | L | 94.5 | Very high | 93.9 | Very high | 15 Ų | 15 | 27.6 Ų | 27.6 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.5 | -37.8 | -179.4 | -178.3 | 58.9 | 0 | 0 | 0 | 112.2 | I27 L32 L62 E63 K129 T134 L135 | I27-L131 HydrophobicContact CD1-CB 4.41Å; I27-L131 HydrophobicContact CD1-CD2 4.22Å; I27-L131 HydrophobicContact CD1-CG 4.27Å; L32-L131 HydrophobicContact CD2-CD2 3.82Å; L62-L131 HydrophobicContact CB-CD1 4.48Å; E63-L131 HydrophobicContact CB-CD1 4.45Å; E63-L131 WeakPolarHBondContact OE2-CB 3.28Å; K129-L131 PolarHBondContact O-N 3.36Å; K129-L131 VanDerWaalsContact O-N 3.09Å; L131-T134 PolarHBondContact O-N 3.33Å; L131-L135 HydrophobicContact CD1-CD1 4.07Å; L131-L135 HydrophobicContact CD1-CG 4.01Å; L131-L135 HydrophobicContact CG-CD1 3.85Å; L131-L135 HydrophobicContact CG-CG 4.25Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 WeakPolarHBondContact O-CG 3.3Å; L131-L135 PolarHBondContact O-N 3.18Å |
| 132 | L | 94 | Very high | 93.9 | Very high | 9 Ų | 9 | 26.8 Ų | 26.8 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.6 | -48.4 | -177.3 | -172.9 | 70.5 | 0 | 0 | 0 | 110.6 | K25 I27 D130 T134 L135 H136 V157 V159 E176 L178 | K25-L132 HydrophobicContact CD-CD2 3.96Å; K25-L132 HydrophobicContact CG-CD2 3.89Å; I27-L132 HydrophobicContact CD1-CB 4.01Å; I27-L132 HydrophobicContact CD1-CD1 4Å; I27-L132 HydrophobicContact CG1-CB 4.06Å; I27-L132 HydrophobicContact CG1-CD1 4Å; D130-L132 VanDerWaalsContact C-N 3.27Å; D130-L132 PolarHBondContact O-N 3.35Å; D130-L132 WeakPolarHBondContact OD1-CA 3.38Å; D130-L132 WeakPolarHBondContact OD1-CB 3.49Å; D130-L132 PolarHBondContact OD1-N 2.85Å; L132-T134 VanDerWaalsContact C-N 3.3Å; L132-T134 PolarHBondContact O-N 3.02Å; L132-L135 PolarHBondContact O-N 3.19Å; L132-H136 PolarHBondContact O-CD2 2.87Å; L132-H136 PolarHBondContact O-N 3.09Å; L132-V157 HydrophobicContact CD1-CG2 3.78Å; L132-V159 HydrophobicContact CD1-CG1 4.38Å; L132-V159 HydrophobicContact CD2-CG1 3.97Å; L132-E176 HydrophobicContact CD1-CB 4.31Å; L132-E176 HydrophobicContact CD1-CG 4.04Å; L132-E176 HydrophobicContact CD2-CG 4.32Å; L132-L178 HydrophobicContact CD1-CD2 3.95Å |
| 133 | A | 93.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W121 L125 I126 D130 H136 L137 | W121-A133 HydrophobicContact CB-CB 4.06Å; L125-A133 HydrophobicContact CB-CB 3.67Å; L125-A133 HydrophobicContact CD1-CB 4.14Å; L125-A133 HydrophobicContact CG-CB 4.46Å; I126-A133 HydrophobicContact CD1-CB 4.06Å; D130-A133 HydrophobicContact CB-CB 4.03Å; D130-A133 PolarHBondContact O-N 2.95Å; D130-A133 PolarHBondContact OD1-N 3.49Å; A133-H136 PolarHBondContact O-N 3.05Å; A133-L137 WeakPolarHBondContact O-CB 3.37Å; A133-L137 PolarHBondContact O-N 3.35Å |
| 134 | T | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 177.9 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | L62 I66 D130 L131 L132 L137 L138 | L62-T134 HydrophobicContact CB-CG2 4.1Å; I66-T134 HydrophobicContact CB-CG2 4.25Å; I66-T134 HydrophobicContact CD1-CG2 3.69Å; I66-T134 HydrophobicContact CG2-CG2 4.19Å; D130-T134 WeakPolarHBondContact O-CB 3.3Å; D130-T134 PolarHBondContact O-N 2.8Å; D130-T134 PolarHBondContact O-OG1 3.25Å; L131-T134 PolarHBondContact O-N 3.33Å; L132-T134 VanDerWaalsContact C-N 3.3Å; L132-T134 PolarHBondContact O-N 3.02Å; T134-L137 PolarHBondContact O-N 3.35Å; T134-L138 HydrophobicContact CG2-CD1 4.03Å; T134-L138 HydrophobicContact CG2-CG 4.49Å; T134-L138 VanDerWaalsContact O-CG 3.28Å; T134-L138 WeakPolarHBondContact O-CG 3.44Å; T134-L138 PolarHBondContact O-N 3.18Å |
| 135 | L | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 177.2 | -72.5 | 168.9 | 0 | 0 | 0 | 111.8 | L37 L40 K41 L44 L62 L131 L132 L137 L138 V139 L178 | L37-L135 HydrophobicContact CD1-CD1 3.72Å; L40-L135 HydrophobicContact CD2-CD2 4.46Å; K41-L135 HydrophobicContact CG-CD2 4.07Å; L44-L135 HydrophobicContact CD1-CD2 3.68Å; L62-L135 HydrophobicContact CD1-CD2 3.79Å; L131-L135 HydrophobicContact CD1-CD1 4.07Å; L131-L135 HydrophobicContact CD1-CG 4.01Å; L131-L135 HydrophobicContact CG-CD1 3.85Å; L131-L135 HydrophobicContact CG-CG 4.25Å; L131-L135 WeakPolarHBondContact O-CB 3.38Å; L131-L135 WeakPolarHBondContact O-CG 3.3Å; L131-L135 PolarHBondContact O-N 3.18Å; L132-L135 PolarHBondContact O-N 3.19Å; L135-L137 PolarHBondContact O-N 3.14Å; L135-L138 PolarHBondContact O-N 3.48Å; L135-V139 WeakPolarHBondContact O-CB 3.3Å; L135-V139 VanDerWaalsContact O-CG2 3.28Å; L135-V139 WeakPolarHBondContact O-CG2 3.22Å; L135-V139 PolarHBondContact O-N 2.86Å; L135-L178 HydrophobicContact CB-CD2 3.96Å; L135-L178 HydrophobicContact CD1-CD1 3.92Å |
| 136 | H | 94.4 | Very high | 93 | Very high | 11 Ų | 11 | 25.8 Ų | 25.8 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.1 | -79.4 | -59.4 | 0 | 0 | 0 | 112.8 | R120 W121 L132 A133 A140 E176 I177 | R120-H136 HydrophobicContact CB-CB 3.96Å; R120-H136 WeakPolarHBondContact CD-CE1 3.31Å; R120-H136 WeakPolarHBondContact CD-ND1 3.26Å; R120-H136 WeakPolarHBondContact CD-NE2 3.13Å; W121-H136 HydrophobicContact CE3-CB 3.94Å; W121-H136 HydrophobicContact CZ3-CB 4.16Å; L132-H136 PolarHBondContact O-CD2 2.87Å; L132-H136 PolarHBondContact O-N 3.09Å; A133-H136 PolarHBondContact O-N 3.05Å; H136-A140 WeakPolarHBondContact O-CB 3.25Å; H136-A140 PolarHBondContact O-N 3.46Å; H136-E176 IonicContact CE1-OE1 3.35Å; H136-E176 VanDerWaalsContact NE2-CG 3.28Å; H136-E176 WeakPolarHBondContact NE2-CG 3.46Å; H136-E176 IonicContact NE2-OE1 2.81Å; H136-E176 PolarHBondContact NE2-OE1 3.38Å; H136-I177 PolarHBondContact CE1-O 3.48Å |
| 137 | L | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -50.2 | 177.2 | 174.5 | 61 | 0 | 0 | 0 | 110.9 | L72 L104 L107 L111 W121 I126 A133 T134 L135 A140 M141 | L72-L137 HydrophobicContact CD1-CD2 3.76Å; L72-L137 HydrophobicContact CD2-CD2 4.01Å; L104-L137 HydrophobicContact CD2-CD1 4.36Å; L104-L137 HydrophobicContact CD2-CD2 3.75Å; L107-L137 HydrophobicContact CD1-CD1 4.38Å; L111-L137 HydrophobicContact CD1-CD1 4.36Å; W121-L137 HydrophobicContact CB-CB 4.41Å; W121-L137 HydrophobicContact CD2-CB 3.99Å; W121-L137 HydrophobicContact CD2-CD1 4.05Å; W121-L137 HydrophobicContact CE3-CB 4.16Å; W121-L137 HydrophobicContact CG-CB 4.11Å; W121-L137 HydrophobicContact CG-CD1 4.29Å; W121-L137 HydrophobicContact CZ2-CD1 4.01Å; I126-L137 HydrophobicContact CD1-CD2 4.06Å; I126-L137 HydrophobicContact CG1-CD2 4.36Å; A133-L137 WeakPolarHBondContact O-CB 3.37Å; A133-L137 PolarHBondContact O-N 3.35Å; T134-L137 PolarHBondContact O-N 3.35Å; L135-L137 PolarHBondContact O-N 3.14Å; L137-A140 WeakPolarHBondContact O-CB 3.46Å; L137-A140 PolarHBondContact O-N 2.91Å; L137-M141 HydrophobicContact CD1-CG 4.3Å; L137-M141 HydrophobicContact CD1-SD 4.24Å; L137-M141 HydrophobicContact CG-SD 4.15Å; L137-M141 WeakPolarHBondContact O-CG 3.42Å; L137-M141 PolarHBondContact O-N 3.29Å |
| 138 | L | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | -178.2 | -68.4 | 173.1 | 0 | 0 | 0 | 112.8 | L44 W47 I48 L62 I66 L72 T134 L135 A140 M141 V142 | L44-L138 HydrophobicContact CB-CD1 4.43Å; L44-L138 HydrophobicContact CD1-CB 4Å; L44-L138 HydrophobicContact CD1-CD1 4.14Å; L44-L138 HydrophobicContact CD2-CB 4.09Å; W47-L138 HydrophobicContact CZ3-CD2 4.16Å; I48-L138 HydrophobicContact CD1-CD1 4.2Å; I48-L138 HydrophobicContact CD1-CD2 3.94Å; L62-L138 HydrophobicContact CB-CD1 4.43Å; L62-L138 HydrophobicContact CD1-CD1 3.94Å; L62-L138 HydrophobicContact CD2-CD1 3.73Å; L62-L138 HydrophobicContact CG-CD1 4.25Å; I66-L138 HydrophobicContact CD1-CD1 3.56Å; I66-L138 HydrophobicContact CD1-CD2 3.99Å; I66-L138 HydrophobicContact CD1-CG 4.13Å; L72-L138 HydrophobicContact CD2-CD2 4.49Å; T134-L138 HydrophobicContact CG2-CD1 4.03Å; T134-L138 HydrophobicContact CG2-CG 4.49Å; T134-L138 VanDerWaalsContact O-CG 3.28Å; T134-L138 WeakPolarHBondContact O-CG 3.44Å; T134-L138 PolarHBondContact O-N 3.18Å; L135-L138 PolarHBondContact O-N 3.48Å; L138-A140 VanDerWaalsContact C-N 3.32Å; L138-A140 PolarHBondContact O-N 3.36Å; L138-M141 HydrophobicContact CD2-SD 4.47Å; L138-M141 PolarHBondContact O-N 2.85Å; L138-V142 WeakPolarHBondContact O-CG2 3.42Å; L138-V142 PolarHBondContact O-N 3Å |
| 139 | V | 94.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 174.2 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | L40 L44 L135 M141 V142 R143 L151 L178 T179 | L40-V139 HydrophobicContact CD1-CG2 4.18Å; L40-V139 HydrophobicContact CD2-CG2 4.38Å; L44-V139 HydrophobicContact CD1-CG2 4.44Å; L135-V139 WeakPolarHBondContact O-CB 3.3Å; L135-V139 VanDerWaalsContact O-CG2 3.28Å; L135-V139 WeakPolarHBondContact O-CG2 3.22Å; L135-V139 PolarHBondContact O-N 2.86Å; V139-M141 VanDerWaalsContact C-N 3.34Å; V139-M141 PolarHBondContact O-N 3.47Å; V139-V142 PolarHBondContact O-N 2.74Å; V139-R143 WeakPolarHBondContact O-CB 3.5Å; V139-R143 VanDerWaalsContact O-CG 3.31Å; V139-R143 WeakPolarHBondContact O-CG 3.45Å; V139-R143 PolarHBondContact O-N 2.98Å; V139-L151 HydrophobicContact CB-CD1 4.43Å; V139-L151 HydrophobicContact CG1-CD1 3.86Å; V139-L151 HydrophobicContact CG2-CD1 4.29Å; V139-L178 WeakPolarHBondContact CG1-O 3.43Å; V139-T179 HydrophobicContact CG1-CG2 4.46Å; V139-T179 HydrophobicContact CG2-CG2 4.34Å |
| 140 | A | 91.3 | Very high | 91.6 | Very high | 26 Ų | 26 | 36.6 Ų | 36.6 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L111 W121 H136 L137 L138 R143 C144 | L111-A140 HydrophobicContact CD1-CB 4.1Å; L111-A140 HydrophobicContact CD2-CB 4.35Å; L111-A140 WeakPolarHBondContact CD2-O 3.32Å; W121-A140 HydrophobicContact CH2-CB 3.71Å; W121-A140 HydrophobicContact CZ3-CB 4.15Å; H136-A140 WeakPolarHBondContact O-CB 3.25Å; H136-A140 PolarHBondContact O-N 3.46Å; L137-A140 WeakPolarHBondContact O-CB 3.46Å; L137-A140 PolarHBondContact O-N 2.91Å; L138-A140 VanDerWaalsContact C-N 3.32Å; L138-A140 PolarHBondContact O-N 3.36Å; A140-R143 PolarHBondContact O-N 2.74Å; A140-C144 WeakPolarHBondContact O-CB 3.4Å; A140-C144 PolarHBondContact O-N 2.96Å |
| 141 | M | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 175.5 | -70.7 | 178.7 | 67.4 | 0 | 0 | 112.3 | W47 L72 L75 L107 L137 L138 V139 R143 C144 F145 | W47-M141 HydrophobicContact CH2-CB 3.92Å; L72-M141 HydrophobicContact CD2-CE 4.39Å; L72-M141 HydrophobicContact CD2-SD 3.83Å; L75-M141 HydrophobicContact CB-CE 3.82Å; L75-M141 HydrophobicContact CD1-CE 3.98Å; L107-M141 HydrophobicContact CD1-CE 4.46Å; L107-M141 HydrophobicContact CD1-SD 4.06Å; L107-M141 HydrophobicContact CD2-CE 3.69Å; L107-M141 HydrophobicContact CD2-CG 4.01Å; L107-M141 HydrophobicContact CD2-SD 3.85Å; L137-M141 HydrophobicContact CD1-CG 4.3Å; L137-M141 HydrophobicContact CD1-SD 4.24Å; L137-M141 HydrophobicContact CG-SD 4.15Å; L137-M141 WeakPolarHBondContact O-CG 3.42Å; L137-M141 PolarHBondContact O-N 3.29Å; L138-M141 HydrophobicContact CD2-SD 4.47Å; L138-M141 PolarHBondContact O-N 2.85Å; V139-M141 VanDerWaalsContact C-N 3.34Å; V139-M141 PolarHBondContact O-N 3.47Å; M141-R143 VanDerWaalsContact C-N 3.32Å; M141-R143 PolarHBondContact O-N 2.94Å; M141-C144 PolarHBondContact O-N 3.37Å; M141-F145 HydrophobicContact CB-CD2 4.17Å; M141-F145 HydrophobicContact CB-CE2 4.48Å; M141-F145 HydrophobicContact CG-CE2 4.42Å; M141-F145 WeakPolarHBondContact O-CB 3.37Å; M141-F145 VanDerWaalsContact O-CD2 3.25Å; M141-F145 WeakPolarHBondContact O-CD2 3.34Å; M141-F145 PolarHBondContact O-N 3.07Å |
| 142 | V | 92.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.3 | -47.7 | 175.4 | 167.4 | 0 | 0 | 0 | 0 | 110.4 | L44 W47 L138 V139 C144 F145 Q146 L149 L151 | L44-V142 HydrophobicContact CD2-CG2 3.75Å; W47-V142 HydrophobicContact CD2-CG2 3.6Å; W47-V142 HydrophobicContact CE3-CG2 3.45Å; W47-V142 VanDerWaalsContact CE3-CG2 3.45Å; W47-V142 HydrophobicContact CG-CG2 4.31Å; W47-V142 HydrophobicContact CH2-CG2 3.85Å; W47-V142 HydrophobicContact CZ2-CG2 3.98Å; W47-V142 HydrophobicContact CZ3-CG2 3.59Å; L138-V142 WeakPolarHBondContact O-CG2 3.42Å; L138-V142 PolarHBondContact O-N 3Å; V139-V142 PolarHBondContact O-N 2.74Å; V142-C144 VanDerWaalsContact C-N 3.28Å; V142-C144 PolarHBondContact O-N 3.02Å; V142-F145 PolarHBondContact O-N 2.89Å; V142-Q146 CarbonylContact O-C 3.47Å; V142-Q146 VanDerWaalsContact O-CA 3.3Å; V142-Q146 WeakPolarHBondContact O-CA 3.42Å; V142-Q146 PolarHBondContact O-N 2.87Å; V142-L149 HydrophobicContact CG1-CB 3.96Å; V142-L149 HydrophobicContact CG1-CD2 3.78Å; V142-L149 HydrophobicContact CG1-CG 4.27Å; V142-L149 HydrophobicContact CG2-CD2 4.05Å; V142-L151 HydrophobicContact CB-CD1 4.31Å; V142-L151 HydrophobicContact CG1-CD1 3.93Å; V142-L151 HydrophobicContact CG1-CD2 4.04Å; V142-L151 HydrophobicContact CG1-CG 3.99Å |
| 143 | R | 87.6 | Confident | 91 | Very high | 91 Ų | 91 | 38.3 Ų | 38.3 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62 | -36.1 | -179.5 | -73.4 | 172.5 | 172.9 | -172.4 | -9.7 | 112.8 | V139 A140 M141 D180 D183 | V139-R143 WeakPolarHBondContact O-CB 3.5Å; V139-R143 VanDerWaalsContact O-CG 3.31Å; V139-R143 WeakPolarHBondContact O-CG 3.45Å; V139-R143 PolarHBondContact O-N 2.98Å; A140-R143 PolarHBondContact O-N 2.74Å; M141-R143 VanDerWaalsContact C-N 3.32Å; M141-R143 PolarHBondContact O-N 2.94Å; R143-D180 IonicContact CZ-OD2 2.76Å; R143-D180 VanDerWaalsContact CZ-OD2 3.24Å; R143-D180 IonicContact NH1-OD2 2.74Å; R143-D180 PolarHBondContact NH1-OD2 3.15Å; R143-D180 IonicContact NH2-OD2 3.77Å; R143-D180 PolarHBondContact NH2-OD2 2.93Å; R143-D183 IonicContact NH2-OD1 2.79Å; R143-D183 IonicContact NH2-OD2 3.88Å; R143-D183 PolarHBondContact NH2-OD2 3.24Å; R143-D183 VanDerWaalsContact NH2-OD2 3.08Å |
| 144 | C | 87.6 | Confident | 90.7 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 37% | 0.372 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -77.7 | -45.8 | 179.6 | -175.7 | 0 | 0 | 0 | 0 | 112.8 | L111 A140 M141 V142 | L111-C144 HydrophobicContact CD2-CB 3.44Å; L111-C144 VanDerWaalsContact CD2-CB 3.44Å; A140-C144 WeakPolarHBondContact O-CB 3.4Å; A140-C144 PolarHBondContact O-N 2.96Å; M141-C144 PolarHBondContact O-N 3.37Å; V142-C144 VanDerWaalsContact C-N 3.28Å; V142-C144 PolarHBondContact O-N 3.02Å |
| 145 | F | 86.9 | Confident | 90.5 | Very high | 47 Ų | 47 | 40.2 Ų | 40.2 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -103.8 | -21.2 | -167.8 | -60.8 | -62.5 | 0 | 0 | 0 | 114.3 | L79 A80 L107 K110 M141 V142 | L79-F145 HydrophobicContact CB-CB 3.94Å; L79-F145 HydrophobicContact CB-CD1 4.02Å; L79-F145 HydrophobicContact CB-CD2 4.28Å; L79-F145 HydrophobicContact CB-CG 3.82Å; L79-F145 HydrophobicContact CD1-CB 3.9Å; L79-F145 HydrophobicContact CD1-CD2 4.05Å; L79-F145 HydrophobicContact CD1-CG 4.13Å; L79-F145 HydrophobicContact CD2-CB 4.21Å; L79-F145 HydrophobicContact CG-CB 4.24Å; A80-F145 HydrophobicContact CB-CE1 3.86Å; A80-F145 HydrophobicContact CB-CZ 4.17Å; L107-F145 HydrophobicContact CD2-CE2 4.2Å; K110-F145 HydrophobicContact CB-CE1 4.35Å; K110-F145 HydrophobicContact CB-CZ 3.81Å; K110-F145 HydrophobicContact CG-CZ 4.42Å; M141-F145 HydrophobicContact CB-CD2 4.17Å; M141-F145 HydrophobicContact CB-CE2 4.48Å; M141-F145 HydrophobicContact CG-CE2 4.42Å; M141-F145 WeakPolarHBondContact O-CB 3.37Å; M141-F145 VanDerWaalsContact O-CD2 3.25Å; M141-F145 WeakPolarHBondContact O-CD2 3.34Å; M141-F145 PolarHBondContact O-N 3.07Å; V142-F145 PolarHBondContact O-N 2.89Å |
| 146 | Q | 88.1 | Confident | 90.3 | Very high | 62 Ų | 62 | 45.3 Ų | 45.3 | 29% | 0.29 | 24% | 0.235 | S | C | . | . | trans | -142.1 | 63.4 | -179.6 | -162 | 170.9 | -51.9 | 0 | 0 | 111.7 | W47 V142 N148 L149 | W47-Q146 VanDerWaalsContact CD1-CD 3.5Å; V142-Q146 CarbonylContact O-C 3.47Å; V142-Q146 VanDerWaalsContact O-CA 3.3Å; V142-Q146 WeakPolarHBondContact O-CA 3.42Å; V142-Q146 PolarHBondContact O-N 2.87Å; Q146-N148 PolarHBondContact O-N 3.25Å; Q146-L149 HydrophobicContact CB-CB 4.47Å; Q146-L149 HydrophobicContact CG-CB 3.99Å; Q146-L149 WeakPolarHBondContact O-CB 3.17Å; Q146-L149 PolarHBondContact O-N 3.03Å | ||
| 147 | P | 84.5 | Confident | 90.1 | Very high | 88 Ų | 88 | 44.9 Ų | 44.9 | 57% | 0.571 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.7 | -176.1 | 25.9 | -36 | 0 | 0 | 0 | 114.1 | L149 | P147-L149 VanDerWaalsContact C-N 3.28Å; P147-L149 PolarHBondContact O-N 3.26Å |
| 148 | N | 84 | Confident | 89.8 | Confident | 142 Ų | 142 | 47.6 Ų | 47.6 | 76% | 0.759 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -6.9 | 176 | -61.1 | -28.5 | 0 | 0 | 0 | 113.4 | Q146 E150 | Q146-N148 PolarHBondContact O-N 3.25Å; N148-E150 PolarHBondContact O-N 2.74Å |
| 149 | L | 89.8 | Confident | 89.6 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -79.3 | 116 | 174.9 | -177.7 | 66.9 | 0 | 0 | 0 | 109.6 | V43 W47 V142 Q146 P147 L151 | V43-L149 HydrophobicContact CG1-CD1 4.43Å; V43-L149 HydrophobicContact CG1-CD2 4.21Å; V43-L149 HydrophobicContact CG1-CG 4.36Å; W47-L149 HydrophobicContact CB-CD2 3.62Å; W47-L149 HydrophobicContact CD2-CD2 4.37Å; W47-L149 HydrophobicContact CG-CD2 3.6Å; V142-L149 HydrophobicContact CG1-CB 3.96Å; V142-L149 HydrophobicContact CG1-CD2 3.78Å; V142-L149 HydrophobicContact CG1-CG 4.27Å; V142-L149 HydrophobicContact CG2-CD2 4.05Å; Q146-L149 HydrophobicContact CB-CB 4.47Å; Q146-L149 HydrophobicContact CG-CB 3.99Å; Q146-L149 WeakPolarHBondContact O-CB 3.17Å; Q146-L149 PolarHBondContact O-N 3.03Å; P147-L149 VanDerWaalsContact C-N 3.28Å; P147-L149 PolarHBondContact O-N 3.26Å; L149-L151 PolarHBondContact O-N 2.92Å |
| 150 | E | 89.1 | Confident | 89.1 | Confident | 137 Ų | 137 | 48.8 Ų | 48.8 | 64% | 0.64 | 25% | 0.253 | S | S | * | . | trans | -70.5 | 111.3 | 176.2 | -64.9 | -178.6 | 175.7 | 0 | 0 | 110.9 | N148 | N148-E150 PolarHBondContact O-N 2.74Š| ||
| 151 | L | 92.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 146.1 | 168.5 | -64.7 | 177.5 | 0 | 0 | 0 | 109.4 | L40 V43 L44 V139 V142 L149 T179 | L40-L151 HydrophobicContact CD1-CD2 4.01Å; V43-L151 HydrophobicContact CG1-CD2 4.02Å; L44-L151 HydrophobicContact CD2-CD2 4.09Å; V139-L151 HydrophobicContact CB-CD1 4.43Å; V139-L151 HydrophobicContact CG1-CD1 3.86Å; V139-L151 HydrophobicContact CG2-CD1 4.29Å; V142-L151 HydrophobicContact CB-CD1 4.31Å; V142-L151 HydrophobicContact CG1-CD1 3.93Å; V142-L151 HydrophobicContact CG1-CD2 4.04Å; V142-L151 HydrophobicContact CG1-CG 3.99Å; L149-L151 PolarHBondContact O-N 2.92Å; L151-T179 HydrophobicContact CB-CG2 4.08Å; L151-T179 HydrophobicContact CD1-CG2 4.31Å |
| 152 | P | 90.3 | Very high | 88.3 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 13% | 0.13 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 126.9 | 174.1 | -23.7 | 34.4 | 0 | 0 | 0 | 109.9 | K39 L40 V43 V155 T179 | K39-P152 HydrophobicContact CB-CG 4.28Å; K39-P152 HydrophobicContact CG-CB 4.46Å; K39-P152 HydrophobicContact CG-CG 3.72Å; L40-P152 HydrophobicContact CB-CG 4.29Å; V43-P152 HydrophobicContact CG2-CG 4.37Å; P152-V155 HydrophobicContact CB-CG2 3.83Å; P152-V155 VanDerWaalsContact O-CG2 3.32Å; P152-V155 WeakPolarHBondContact O-CG2 3.32Å; P152-T179 VanDerWaalsContact O-CB 3.29Å; P152-T179 WeakPolarHBondContact O-CB 3.32Å; P152-T179 PolarHBondContact O-OG1 3.4Å |
| 153 | P | 88.2 | Confident | 87.6 | Confident | 67 Ų | 67 | 53.8 Ų | 53.8 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -74.5 | 150.8 | -176.8 | 29 | -34.8 | 0 | 0 | 0 | 111 | V155 D180 | P153-V155 PolarHBondContact O-N 2.88Å; P153-D180 WeakPolarHBondContact CA-O 3.44Å |
| 154 | N | 87 | Confident | 86.9 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 55.7 | 46.1 | 170.9 | -156.3 | 9.7 | 0 | 0 | 0 | 114 | R156 T179 D180 E181 | N154-R156 PolarHBondContact O-N 3.18Å; N154-R156 PolarHBondContact OD1-NE 2.91Å; N154-R156 PolarHBondContact OD1-NH2 2.64Å; N154-T179 PolarHBondContact N-OG1 2.93Å; N154-D180 PolarHBondContact N-O 2.9Å; N154-E181 HydrophobicContact CB-CG 4.06Å; N154-E181 PolarHBondContact ND2-OE1 2.93Å |
| 155 | V | 91.6 | Very high | 86.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | trans | -81.5 | 115 | 172.5 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | K36 L37 L40 P152 P153 L178 T179 | K36-V155 HydrophobicContact CB-CG2 4.25Å; L37-V155 HydrophobicContact CB-CG1 4.44Å; L37-V155 HydrophobicContact CD1-CG1 4.29Å; L40-V155 HydrophobicContact CB-CG1 4.48Å; L40-V155 HydrophobicContact CB-CG2 4.23Å; L40-V155 HydrophobicContact CD2-CB 4.23Å; L40-V155 HydrophobicContact CD2-CG1 3.94Å; L40-V155 HydrophobicContact CD2-CG2 4.31Å; P152-V155 HydrophobicContact CB-CG2 3.83Å; P152-V155 VanDerWaalsContact O-CG2 3.32Å; P152-V155 WeakPolarHBondContact O-CG2 3.32Å; P153-V155 PolarHBondContact O-N 2.88Å; V155-L178 HydrophobicContact CB-CB 4.19Å; V155-L178 HydrophobicContact CG1-CB 4.17Å; V155-L178 HydrophobicContact CG1-CD1 3.93Å; V155-L178 WeakPolarHBondContact O-CB 3.31Å; V155-L178 PolarHBondContact O-N 3.08Å; V155-T179 HydrophobicContact CB-CG2 4.49Å; V155-T179 VanDerWaalsContact CB-OG1 3.29Å; V155-T179 WeakPolarHBondContact CB-OG1 3.38Å; V155-T179 HydrophobicContact CG2-CG2 4.41Å; V155-T179 VanDerWaalsContact CG2-OG1 3.26Å; V155-T179 WeakPolarHBondContact CG2-OG1 3.49Å; V155-T179 PolarHBondContact N-OG1 3.47Å; V155-T179 PolarHBondContact O-N 2.97Å | ||
| 156 | R | 91.3 | Very high | 85.3 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 40% | 0.404 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 142.2 | 179.2 | -57 | -173.9 | -175.3 | 170.1 | 7.6 | 109.1 | N154 I175 E176 I177 E181 | N154-R156 PolarHBondContact O-N 3.18Å; N154-R156 PolarHBondContact OD1-NE 2.91Å; N154-R156 PolarHBondContact OD1-NH2 2.64Å; R156-I175 HydrophobicContact CB-CG2 3.86Å; R156-I175 HydrophobicContact CG-CG2 4.43Å; R156-E176 CarbonylContact C-O 3.6Å; R156-E176 VanDerWaalsContact CA-O 3.31Å; R156-E176 WeakPolarHBondContact CA-O 3.47Å; R156-I177 HydrophobicContact CG-CG1 4.18Å; R156-E181 IonicContact NH2-OE1 2.64Å; R156-E181 PolarHBondContact NH2-OE1 3.42Å |
| 157 | V | 91.6 | Very high | 84.3 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136.3 | 178.1 | -65.5 | 0 | 0 | 0 | 0 | 110.1 | I27 L37 L132 V159 E176 L178 | I27-V157 HydrophobicContact CG1-CG2 4.42Å; I27-V157 HydrophobicContact CG2-CB 4.18Å; L37-V157 HydrophobicContact CB-CG1 4.47Å; L37-V157 HydrophobicContact CD1-CG1 3.91Å; L37-V157 HydrophobicContact CD2-CG1 3.81Å; L37-V157 HydrophobicContact CG-CG1 4.28Å; L132-V157 HydrophobicContact CD1-CG2 3.78Å; V157-V159 HydrophobicContact CG2-CG1 4.04Å; V157-E176 HydrophobicContact CG2-CB 3.98Å; V157-E176 PolarHBondContact N-O 2.85Å; V157-E176 PolarHBondContact O-N 3Å; V157-L178 HydrophobicContact CG1-CD1 3.84Å; V157-L178 HydrophobicContact CG2-CD1 4.11Å; V157-L178 HydrophobicContact CG2-CG 4.3Å |
| 158 | E | 88.9 | Confident | 83.6 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 129.2 | 170.9 | -161.5 | -173.3 | 166.6 | 0 | 0 | 108.6 | Q28 S31 K173 E174 | Q28-E158 HydrophobicContact CB-CB 4.36Å; Q28-E158 WeakPolarHBondContact CB-O 3.45Å; Q28-E158 VanDerWaalsContact CD-OE1 3.32Å; Q28-E158 HydrophobicContact CG-CB 4.39Å; Q28-E158 HydrophobicContact CG-CG 4.33Å; Q28-E158 PolarHBondContact N-O 3.16Å; Q28-E158 VanDerWaalsContact NE2-CG 3.3Å; Q28-E158 PolarHBondContact NE2-OE1 3.14Å; Q28-E158 PolarHBondContact OE1-OE1 3.4Å; Q28-E158 PolarHBondContact OE1-OE2 3.37Å; S31-E158 WeakPolarHBondContact OG-CB 3.47Å; S31-E158 PolarHBondContact OG-N 2.77Å; E158-K173 VanDerWaalsContact OE1-CD 3.24Å; E158-K173 WeakPolarHBondContact OE1-CD 3.42Å; E158-K173 WeakPolarHBondContact OE1-CE 2.94Å; E158-K173 IonicContact OE1-NZ 3.48Å; E158-K173 PolarHBondContact OE1-NZ 3.43Å; E158-E174 WeakPolarHBondContact CA-O 3.42Å |
| 159 | V | 90.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 149.6 | -178.5 | -59.7 | 0 | 0 | 0 | 0 | 109.8 | K25 I26 I27 L132 V157 K173 E174 E176 | K25-V159 HydrophobicContact CD-CG2 4.18Å; K25-V159 HydrophobicContact CG-CB 3.93Å; K25-V159 HydrophobicContact CG-CG1 4.43Å; K25-V159 HydrophobicContact CG-CG2 3.91Å; I26-V159 CarbonylContact O-C 3.59Å; I26-V159 VanDerWaalsContact O-CA 3.23Å; I26-V159 WeakPolarHBondContact O-CA 3.44Å; I27-V159 HydrophobicContact CG1-CG1 4.35Å; L132-V159 HydrophobicContact CD1-CG1 4.38Å; L132-V159 HydrophobicContact CD2-CG1 3.97Å; V157-V159 HydrophobicContact CG2-CG1 4.04Å; V159-K173 WeakPolarHBondContact O-CA 3.26Å; V159-E174 HydrophobicContact CG2-CB 3.79Å; V159-E174 HydrophobicContact CG2-CG 4.47Å; V159-E174 WeakPolarHBondContact CG2-O 3.36Å; V159-E174 PolarHBondContact N-O 3.38Å; V159-E174 PolarHBondContact O-N 3.17Å; V159-E176 HydrophobicContact CG1-CB 3.92Å; V159-E176 HydrophobicContact CG2-CB 4.4Å |
| 160 | V | 86.1 | Confident | 82.7 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.2 | 172.8 | -175 | 0 | 0 | 0 | 0 | 108.1 | I26 Q28 L162 E172 | I26-V160 PolarHBondContact N-O 2.95Å; I26-V160 PolarHBondContact O-N 3.04Å; Q28-V160 HydrophobicContact CG-CG2 3.48Å; Q28-V160 VanDerWaalsContact CG-CG2 3.48Å; Q28-V160 VanDerWaalsContact NE2-CG2 3.34Å; V160-L162 HydrophobicContact CG1-CD2 3.68Å; V160-L162 HydrophobicContact CG1-CG 4.17Å; V160-E172 CarbonylContact C-O 3.57Å; V160-E172 WeakPolarHBondContact CA-O 3.06Å |
| 161 | L | 85.1 | Confident | 82.3 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 112.2 | 166.6 | -176.8 | 63.8 | 0 | 0 | 0 | 108.3 | R23 R24 S171 E172 | R23-L161 HydrophobicContact CB-CD1 4.21Å; R24-L161 CarbonylContact O-C 3.59Å; R24-L161 WeakPolarHBondContact O-CA 3.48Å; L161-S171 WeakPolarHBondContact O-CA 3.38Å; L161-E172 HydrophobicContact CB-CB 4.49Å; L161-E172 PolarHBondContact N-O 3.23Å; L161-E172 PolarHBondContact O-N 3.04Å |
| 162 | L | 80.8 | Confident | 81.8 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.9 | 172.1 | -60.9 | 177.8 | 0 | 0 | 0 | 108.5 | R23 R24 I26 V160 I169 | R23-L162 WeakPolarHBondContact CA-O 3.25Å; R24-L162 PolarHBondContact N-O 3.34Å; R24-L162 PolarHBondContact O-N 3.48Å; I26-L162 HydrophobicContact CD1-CD1 3.69Å; V160-L162 HydrophobicContact CG1-CD2 3.68Å; V160-L162 HydrophobicContact CG1-CG 4.17Å; L162-I169 HydrophobicContact CD2-CG2 4.04Å |
| 163 | E | 77.8 | Confident | 81.6 | Confident | 30 Ų | 30 | 70.3 Ų | 70.3 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 113.8 | 171.4 | -176.6 | 177.2 | -140.5 | 0 | 0 | 108.5 | R23 N165 K170 | R23-E163 HydrophobicContact CG-CB 4.26Å; R23-E163 HydrophobicContact CG-CG 4.02Å; R23-E163 IonicContact CZ-OE1 2.82Å; R23-E163 IonicContact NE-OE1 3.84Å; R23-E163 PolarHBondContact NE-OE1 3.17Å; R23-E163 IonicContact NH2-OE1 2.61Å; R23-E163 PolarHBondContact NH2-OE1 3.36Å; E163-N165 PolarHBondContact O-N 3.46Å; E163-K170 HydrophobicContact CB-CB 4.37Å; E163-K170 PolarHBondContact N-O 2.94Å; E163-K170 PolarHBondContact O-N 3.49Å |
| 164 | V | 72.3 | Confident | 81.5 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 107.7 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | F19 G21 I169 | F19-V164 HydrophobicContact CB-CB 4.36Å; F19-V164 HydrophobicContact CB-CG1 4.23Å; F19-V164 HydrophobicContact CB-CG2 4.27Å; F19-V164 WeakPolarHBondContact O-CB 3.3Å; G21-V164 PolarHBondContact N-O 2.83Å; G21-V164 VanDerWaalsContact N-O 3.09Å; V164-I169 HydrophobicContact CG2-CG1 4.36Å |
| 165 | N | 71.4 | Confident | 81.5 | Confident | 62 Ų | 62 | 74.8 Ų | 74.8 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 163.2 | 175.8 | -69.1 | -27.5 | 0 | 0 | 0 | 110 | E163 S167 G168 | E163-N165 PolarHBondContact O-N 3.46Å; N165-S167 PolarHBondContact O-N 3.31Å; N165-G168 PolarHBondContact N-O 2.96Å; N165-G168 PolarHBondContact O-N 3.5Å; N165-G168 VanDerWaalsContact O-O 3.11Å |
| 166 | R | 69.6 | Low | 81.4 | Confident | 230 Ų | 230 | 75.5 Ų | 75.5 | 87% | 0.868 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -18.6 | 176 | -64.4 | -179.1 | -179.3 | 169.6 | 0.7 | 113.6 | ||
| 167 | S | 68.8 | Low | 81.3 | Confident | 121 Ų | 121 | 73.7 Ų | 73.7 | 85% | 0.846 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -0.9 | 179.3 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | N165 | N165-S167 PolarHBondContact O-N 3.31Š|
| 168 | G | 69.6 | Low | 81.2 | Confident | 38 Ų | 38 | 73.9 Ų | 73.9 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -174.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N165 | N165-G168 PolarHBondContact N-O 2.96Å; N165-G168 PolarHBondContact O-N 3.5Å; N165-G168 VanDerWaalsContact O-O 3.11Å |
| 169 | I | 77.6 | Confident | 81.1 | Confident | 121 Ų | 121 | 71.1 Ų | 71.1 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.7 | 179 | -53.9 | 176 | 0 | 0 | 0 | 108.5 | L162 V164 | L162-I169 HydrophobicContact CD2-CG2 4.04Å; V164-I169 HydrophobicContact CG2-CG1 4.36Å |
| 170 | K | 77.6 | Confident | 80.7 | Confident | 108 Ų | 108 | 75 Ų | 75 | 47% | 0.47 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.2 | 166.8 | -174.2 | -177.7 | 172.9 | -163 | 0 | 107.9 | E163 E172 | E163-K170 HydrophobicContact CB-CB 4.37Å; E163-K170 PolarHBondContact N-O 2.94Å; E163-K170 PolarHBondContact O-N 3.49Å; K170-E172 IonicContact NZ-OE2 3.2Å |
| 171 | S | 79.8 | Confident | 79.4 | Confident | 84 Ų | 84 | 80 Ų | 80 | 59% | 0.587 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.3 | 173.6 | 61 | 0 | 0 | 0 | 0 | 109.8 | L161 | L161-S171 WeakPolarHBondContact O-CA 3.38Å |
| 172 | E | 81.9 | Confident | 77.8 | Confident | 106 Ų | 106 | 82.1 Ų | 82.1 | 50% | 0.495 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.5 | 177 | -174.2 | 167.1 | -180 | 0 | 0 | 109.1 | V160 L161 K170 | V160-E172 CarbonylContact C-O 3.57Å; V160-E172 WeakPolarHBondContact CA-O 3.06Å; L161-E172 HydrophobicContact CB-CB 4.49Å; L161-E172 PolarHBondContact N-O 3.23Å; L161-E172 PolarHBondContact O-N 3.04Å; K170-E172 IonicContact NZ-OE2 3.2Å |
| 173 | K | 85.3 | Confident | 76.2 | Confident | 133 Ų | 133 | 81.8 Ų | 81.8 | 58% | 0.578 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.6 | -179.4 | -66 | 178 | 150.6 | -132.2 | 0 | 109.2 | E158 V159 | E158-K173 VanDerWaalsContact OE1-CD 3.24Å; E158-K173 WeakPolarHBondContact OE1-CD 3.42Å; E158-K173 WeakPolarHBondContact OE1-CE 2.94Å; E158-K173 IonicContact OE1-NZ 3.48Å; E158-K173 PolarHBondContact OE1-NZ 3.43Å; V159-K173 WeakPolarHBondContact O-CA 3.26Å |
| 174 | E | 87.6 | Confident | 74.3 | Confident | 94 Ų | 94 | 84.3 Ų | 84.3 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 161.2 | 177.4 | -174.9 | 178 | -159.8 | 0 | 0 | 109.1 | K25 E158 V159 | K25-E174 IonicContact NZ-OE1 2.81Å; K25-E174 IonicContact NZ-OE2 3.24Å; K25-E174 PolarHBondContact NZ-OE2 3.39Å; E158-E174 WeakPolarHBondContact CA-O 3.42Å; V159-E174 HydrophobicContact CG2-CB 3.79Å; V159-E174 HydrophobicContact CG2-CG 4.47Å; V159-E174 WeakPolarHBondContact CG2-O 3.36Å; V159-E174 PolarHBondContact N-O 3.38Å; V159-E174 PolarHBondContact O-N 3.17Å |
| 175 | I | 86.6 | Confident | 73 | Confident | 109 Ų | 109 | 85.6 Ų | 85.6 | 56% | 0.559 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.4 | 170.1 | -61.6 | 176 | 0 | 0 | 0 | 107.5 | R156 | R156-I175 HydrophobicContact CB-CG2 3.86Å; R156-I175 HydrophobicContact CG-CG2 4.43Å |
| 176 | E | 89.7 | Confident | 71.5 | Confident | 15 Ų | 15 | 87.9 Ų | 87.9 | 7% | 0.07 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 133.8 | 172.7 | -164 | 68.4 | -172.8 | 0 | 0 | 110.2 | K25 R120 L132 H136 R156 V157 V159 | K25-E176 VanDerWaalsContact CE-OE2 3.27Å; K25-E176 WeakPolarHBondContact CE-OE2 3.4Å; K25-E176 IonicContact NZ-OE2 2.63Å; K25-E176 PolarHBondContact NZ-OE2 3.25Å; R120-E176 VanDerWaalsContact CD-OE1 3.26Å; R120-E176 WeakPolarHBondContact CD-OE1 3.13Å; R120-E176 IonicContact CZ-OE1 3.57Å; R120-E176 IonicContact NE-OE1 3.79Å; R120-E176 PolarHBondContact NE-OE1 3.48Å; R120-E176 IonicContact NH2-OE1 3.08Å; L132-E176 HydrophobicContact CD1-CB 4.31Å; L132-E176 HydrophobicContact CD1-CG 4.04Å; L132-E176 HydrophobicContact CD2-CG 4.32Å; H136-E176 IonicContact CE1-OE1 3.35Å; H136-E176 VanDerWaalsContact NE2-CG 3.28Å; H136-E176 WeakPolarHBondContact NE2-CG 3.46Å; H136-E176 IonicContact NE2-OE1 2.81Å; H136-E176 PolarHBondContact NE2-OE1 3.38Å; R156-E176 CarbonylContact C-O 3.6Å; R156-E176 VanDerWaalsContact CA-O 3.31Å; R156-E176 WeakPolarHBondContact CA-O 3.47Å; V157-E176 HydrophobicContact CG2-CB 3.98Å; V157-E176 PolarHBondContact N-O 2.85Å; V157-E176 PolarHBondContact O-N 3Å; V159-E176 HydrophobicContact CG1-CB 3.92Å; V159-E176 HydrophobicContact CG2-CB 4.4Å |
| 177 | I | 88.8 | Confident | 69.7 | Low | 70 Ų | 70 | 84.1 Ų | 84.1 | 36% | 0.359 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119.2 | 178.6 | -58.4 | 166.9 | 0 | 0 | 0 | 108.5 | H136 R156 T179 | H136-I177 PolarHBondContact CE1-O 3.48Å; R156-I177 HydrophobicContact CG-CG1 4.18Å; I177-T179 VanDerWaalsContact CG2-O 3.28Å; I177-T179 WeakPolarHBondContact CG2-O 3.47Å |
| 178 | L | 89.6 | Confident | 68.4 | Low | 4 Ų | 4 | 82.5 Ų | 82.5 | 2% | 0.021 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -92.5 | -35.8 | 179.3 | -67.7 | 173.4 | 0 | 0 | 0 | 112.5 | L37 L40 L132 L135 V139 V155 V157 | L37-L178 HydrophobicContact CD1-CD1 3.5Å; L37-L178 VanDerWaalsContact CD1-CD1 3.5Å; L40-L178 HydrophobicContact CD2-CB 3.95Å; L40-L178 HydrophobicContact CD2-CD1 4.01Å; L132-L178 HydrophobicContact CD1-CD2 3.95Å; L135-L178 HydrophobicContact CB-CD2 3.96Å; L135-L178 HydrophobicContact CD1-CD1 3.92Å; V139-L178 WeakPolarHBondContact CG1-O 3.43Å; V155-L178 HydrophobicContact CB-CB 4.19Å; V155-L178 HydrophobicContact CG1-CB 4.17Å; V155-L178 HydrophobicContact CG1-CD1 3.93Å; V155-L178 WeakPolarHBondContact O-CB 3.31Å; V155-L178 PolarHBondContact O-N 3.08Å; V157-L178 HydrophobicContact CG1-CD1 3.84Å; V157-L178 HydrophobicContact CG2-CD1 4.11Å; V157-L178 HydrophobicContact CG2-CG 4.3Å |
| 179 | T | 87.2 | Confident | 67.2 | Low | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -139.1 | 152.7 | 177.8 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | L40 V139 L151 P152 N154 V155 I177 | L40-T179 HydrophobicContact CD1-CG2 4.04Å; L40-T179 HydrophobicContact CD2-CG2 4.25Å; V139-T179 HydrophobicContact CG1-CG2 4.46Å; V139-T179 HydrophobicContact CG2-CG2 4.34Å; L151-T179 HydrophobicContact CB-CG2 4.08Å; L151-T179 HydrophobicContact CD1-CG2 4.31Å; P152-T179 VanDerWaalsContact O-CB 3.29Å; P152-T179 WeakPolarHBondContact O-CB 3.32Å; P152-T179 PolarHBondContact O-OG1 3.4Å; N154-T179 PolarHBondContact N-OG1 2.93Å; V155-T179 HydrophobicContact CB-CG2 4.49Å; V155-T179 VanDerWaalsContact CB-OG1 3.29Å; V155-T179 WeakPolarHBondContact CB-OG1 3.38Å; V155-T179 HydrophobicContact CG2-CG2 4.41Å; V155-T179 VanDerWaalsContact CG2-OG1 3.26Å; V155-T179 WeakPolarHBondContact CG2-OG1 3.49Å; V155-T179 PolarHBondContact N-OG1 3.47Å; V155-T179 PolarHBondContact O-N 2.97Å; I177-T179 VanDerWaalsContact CG2-O 3.28Å; I177-T179 WeakPolarHBondContact CG2-O 3.47Å |
| 180 | D | 80.8 | Confident | 65.5 | Low | 80 Ų | 80 | 87.9 Ų | 87.9 | 43% | 0.428 | 50% | 0.499 | S | S | . | . | trans | -90 | 170.8 | -173.3 | -61.7 | -61.7 | 0 | 0 | 0 | 111.6 | R143 P153 N154 S182 | R143-D180 IonicContact CZ-OD2 2.76Å; R143-D180 VanDerWaalsContact CZ-OD2 3.24Å; R143-D180 IonicContact NH1-OD2 2.74Å; R143-D180 PolarHBondContact NH1-OD2 3.15Å; R143-D180 IonicContact NH2-OD2 3.77Å; R143-D180 PolarHBondContact NH2-OD2 2.93Å; P153-D180 WeakPolarHBondContact CA-O 3.44Å; N154-D180 PolarHBondContact N-O 2.9Å; D180-S182 VanDerWaalsContact C-N 3.32Å; D180-S182 PolarHBondContact O-N 3.01Å | ||
| 181 | E | 60.3 | Low | 63.3 | Low | 135 Ų | 135 | 88 Ų | 88 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -15.1 | -171.3 | -68.7 | -164.3 | 153.1 | 0 | 0 | 114.8 | N154 R156 | N154-E181 HydrophobicContact CB-CG 4.06Å; N154-E181 PolarHBondContact ND2-OE1 2.93Å; R156-E181 IonicContact NH2-OE1 2.64Å; R156-E181 PolarHBondContact NH2-OE1 3.42Å |
| 182 | S | 51.8 | Low | 61.7 | Low | 94 Ų | 94 | 87.8 Ų | 87.8 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | 39 | -169.5 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | D180 S184 | D180-S182 VanDerWaalsContact C-N 3.32Å; D180-S182 PolarHBondContact O-N 3.01Å; S182-S184 PolarHBondContact O-N 2.81Å |
| 183 | D | 47.1 | Very low | 59.7 | Low | 46 Ų | 46 | 89.8 Ų | 89.8 | 25% | 0.246 | 53% | 0.526 | C | S | . | . | trans | -79.2 | 28.4 | 176.3 | -75.3 | -24 | 0 | 0 | 0 | 113.3 | R143 | R143-D183 IonicContact NH2-OD1 2.79Å; R143-D183 IonicContact NH2-OD2 3.88Å; R143-D183 PolarHBondContact NH2-OD2 3.24Å; R143-D183 VanDerWaalsContact NH2-OD2 3.08Å | ||
| 184 | S | 38.1 | Very low | 57.7 | Low | 84 Ų | 84 | 88.2 Ų | 88.2 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -91 | 115.4 | 164.1 | 59.3 | 0 | 0 | 0 | 0 | 109.5 | S182 T186 | S182-S184 PolarHBondContact O-N 2.81Å; S184-T186 PolarHBondContact O-N 2.88Å |
| 185 | A | 44.1 | Very low | 55.8 | Low | 63 Ų | 63 | 88.1 Ų | 88.1 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -69.5 | 73.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 186 | T | 40.1 | Very low | 54.4 | Low | 111 Ų | 111 | 84.4 Ų | 84.4 | 68% | 0.681 | 51% | 0.513 | S | S | * | . | trans | -174.2 | 101.2 | 151.8 | 42.7 | 0 | 0 | 0 | 0 | 107.1 | S184 | S184-T186 PolarHBondContact O-N 2.88Š| ||
| 187 | D | 31.8 | Very low | 52.9 | Low | 151 Ų | 151 | 87 Ų | 87 | 81% | 0.807 | 53% | 0.531 | S | S | * | . | trans | -170 | 78.4 | 132.5 | -93.2 | -15.5 | 0 | 0 | 0 | 108.2 | L189 | D187-L189 PolarHBondContact O-N 3.12Š| ||
| 188 | A | 41.8 | Very low | 51.5 | Low | 87 Ų | 87 | 83.7 Ų | 83.7 | 72% | 0.719 | 51% | 0.514 | S | S | * | . | trans | -61.2 | 124.4 | 143 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 189 | L | 43.6 | Very low | 50.3 | Low | 153 Ų | 153 | 87 Ų | 87 | 80% | 0.801 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 94.5 | 110.9 | 166.4 | -50.3 | 142.5 | 0 | 0 | 0 | 114.9 | D187 | D187-L189 PolarHBondContact O-N 3.12Š|
| 190 | S | 42.2 | Very low | 49.3 | Very low | 118 Ų | 118 | 92.1 Ų | 92.1 | 83% | 0.825 | 55% | 0.553 | S | S | * | * | trans | 74.8 | 78.4 | 158.5 | 62.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 191 | S | 32.6 | Very low | 48.3 | Very low | 110 Ų | 110 | 89.3 Ų | 89.3 | 77% | 0.769 | 54% | 0.538 | S | S | * | . | -162.9 | 117.7 | 126.7 | 54.4 | 0 | 0 | 0 | 0 | 110.2 | D193 | S191-D193 PolarHBondContact O-N 3.33Å; S191-D193 VanDerWaalsContact O-N 3.1Å | |||
| 192 | S | 45.1 | Very low | 48.2 | Very low | 81 Ų | 81 | 85.9 Ų | 85.9 | 57% | 0.566 | 52% | 0.524 | S | S | * | . | trans | -47.8 | 105.3 | 159.1 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 193 | D | 40 | Very low | 48.8 | Very low | 147 Ų | 147 | 87.7 Ų | 87.7 | 79% | 0.786 | 52% | 0.52 | S | S | * | . | trans | -168.7 | 42.7 | 156.6 | -97.2 | -15.7 | 0 | 0 | 0 | 110.8 | S191 E195 | S191-D193 PolarHBondContact O-N 3.33Å; S191-D193 VanDerWaalsContact O-N 3.1Å; D193-E195 VanDerWaalsContact C-N 3.33Å; D193-E195 PolarHBondContact O-N 2.84Å | ||
| 194 | S | 43.7 | Very low | 49.4 | Very low | 101 Ų | 101 | 89.2 Ų | 89.2 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | trans | -71.5 | 99.7 | 149.1 | 59.2 | 0 | 0 | 0 | 0 | 105.8 | D196 | S194-D196 PolarHBondContact O-N 3.44Š| ||
| 195 | E | 47.1 | Very low | 50.5 | Low | 92 Ų | 92 | 91.4 Ų | 91.4 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | trans | -49 | 115.6 | 171.5 | -83.4 | -162.1 | 162.3 | 0 | 0 | 108.2 | D193 Q200 K203 | D193-E195 VanDerWaalsContact C-N 3.33Å; D193-E195 PolarHBondContact O-N 2.84Å; E195-Q200 HydrophobicContact CB-CG 4.41Å; E195-K203 IonicContact OE1-NZ 3.8Å; E195-K203 PolarHBondContact OE1-NZ 3.48Å; E195-K203 IonicContact OE2-NZ 2.72Å; E195-K203 PolarHBondContact OE2-NZ 2.87Å | ||
| 196 | D | 57.3 | Low | 51.5 | Low | 31 Ų | 31 | 93.2 Ų | 93.2 | 17% | 0.166 | 54% | 0.535 | C | S | . | . | trans | -57.6 | 134.4 | -171.5 | -169.7 | -47 | 0 | 0 | 0 | 108.6 | S194 I198 E199 Q200 K307 | S194-D196 PolarHBondContact O-N 3.44Å; D196-I198 CarbonylContact O-C 3.45Å; D196-I198 PolarHBondContact O-N 3.38Å; D196-I198 WeakPolarHBondContact OD1-CB 3.28Å; D196-I198 PolarHBondContact OD1-N 3.49Å; D196-E199 HydrophobicContact CB-CB 4.09Å; D196-E199 HydrophobicContact CB-CG 3.94Å; D196-E199 WeakPolarHBondContact O-CA 3.22Å; D196-E199 WeakPolarHBondContact O-CB 3.24Å; D196-E199 PolarHBondContact O-N 2.97Å; D196-Q200 PolarHBondContact O-N 3.37Å; D196-K307 WeakPolarHBondContact OD2-CD 3.34Å; D196-K307 WeakPolarHBondContact OD2-CE 3.29Å; D196-K307 WeakPolarHBondContact OD2-CG 3.28Å; D196-K307 IonicContact OD2-NZ 3.1Å; D196-K307 PolarHBondContact OD2-NZ 3.03Å | ||
| 197 | P | 58.2 | Low | 52.5 | Low | 69 Ų | 69 | 94.8 Ų | 94.8 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -49.7 | -26.9 | 174.5 | -28.2 | 34.5 | 0 | 0 | 0 | 113.2 | L201 Y310 | P197-L201 WeakPolarHBondContact O-CB 3.46Å; P197-L201 PolarHBondContact O-N 2.95Å; P197-Y310 HydrophobicContact CB-CE1 4.28Å |
| 198 | I | 60.1 | Low | 54.1 | Low | 1 Ų | 1 | 92.7 Ų | 92.7 | 1% | 0.005 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -77 | -35.7 | 171.3 | -63.3 | -56.2 | 0 | 0 | 0 | 113.2 | D196 Q200 L201 L202 T303 L306 K307 Y310 | D196-I198 CarbonylContact O-C 3.45Å; D196-I198 PolarHBondContact O-N 3.38Å; D196-I198 WeakPolarHBondContact OD1-CB 3.28Å; D196-I198 PolarHBondContact OD1-N 3.49Å; I198-Q200 VanDerWaalsContact C-N 3.28Å; I198-Q200 PolarHBondContact O-N 3.45Å; I198-L201 HydrophobicContact CD1-CB 4.47Å; I198-L201 HydrophobicContact CD1-CD2 3.7Å; I198-L201 CarbonylContact O-C 3.43Å; I198-L201 WeakPolarHBondContact O-CB 3.34Å; I198-L201 PolarHBondContact O-N 2.82Å; I198-L201 VanDerWaalsContact O-N 3.15Å; I198-L202 HydrophobicContact CG2-CD1 3.85Å; I198-L202 HydrophobicContact CG2-CG 4.04Å; I198-L202 WeakPolarHBondContact O-CB 3.41Å; I198-L202 WeakPolarHBondContact O-CG 3.39Å; I198-L202 PolarHBondContact O-N 2.61Å; I198-T303 HydrophobicContact CG2-CG2 4.41Å; I198-L306 HydrophobicContact CD1-CD2 4.39Å; I198-L306 HydrophobicContact CD1-CG 4.2Å; I198-L306 HydrophobicContact CG2-CD2 4.12Å; I198-L306 HydrophobicContact CG2-CG 4.41Å; I198-K307 HydrophobicContact CB-CG 3.59Å; I198-K307 HydrophobicContact CG1-CB 4.35Å; I198-K307 HydrophobicContact CG1-CG 3.76Å; I198-K307 HydrophobicContact CG2-CG 3.78Å; I198-Y310 HydrophobicContact CD1-CD1 3.76Å; I198-Y310 HydrophobicContact CD1-CD2 4.27Å; I198-Y310 HydrophobicContact CD1-CE1 4.46Å; I198-Y310 HydrophobicContact CD1-CG 3.65Å; I198-Y310 HydrophobicContact CG1-CD1 4.19Å; I198-Y310 HydrophobicContact CG1-CG 4.4Å |
| 199 | E | 63.3 | Low | 55.4 | Low | 73 Ų | 73 | 89.7 Ų | 89.7 | 34% | 0.341 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 172.2 | -76.1 | 170.7 | -155.3 | 0 | 0 | 111.3 | D196 L202 K203 K307 | D196-E199 HydrophobicContact CB-CB 4.09Å; D196-E199 HydrophobicContact CB-CG 3.94Å; D196-E199 WeakPolarHBondContact O-CA 3.22Å; D196-E199 WeakPolarHBondContact O-CB 3.24Å; D196-E199 PolarHBondContact O-N 2.97Å; E199-L202 PolarHBondContact O-N 3.14Å; E199-K203 VanDerWaalsContact O-CG 3.28Å; E199-K203 WeakPolarHBondContact O-CG 3.34Å; E199-K203 PolarHBondContact O-N 3.28Å; E199-K203 VanDerWaalsContact O-N 3.13Å; E199-K307 IonicContact OE1-NZ 2.86Å; E199-K307 PolarHBondContact OE1-NZ 2.81Å |
| 200 | Q | 65.7 | Low | 57 | Low | 107 Ų | 107 | 86.7 Ų | 86.7 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 169.8 | -65.2 | -175.5 | -0.6 | 0 | 0 | 112.3 | E195 D196 I198 L202 K203 | E195-Q200 HydrophobicContact CB-CG 4.41Å; D196-Q200 PolarHBondContact O-N 3.37Å; I198-Q200 VanDerWaalsContact C-N 3.28Å; I198-Q200 PolarHBondContact O-N 3.45Å; Q200-L202 VanDerWaalsContact C-N 3.33Å; Q200-L202 PolarHBondContact O-N 3.49Å; Q200-K203 PolarHBondContact O-N 3.13Å |
| 201 | L | 60.2 | Low | 58.7 | Low | 21 Ų | 21 | 85 Ų | 85 | 11% | 0.11 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 174.2 | -179.6 | 62.8 | 0 | 0 | 0 | 112.2 | P197 I198 K203 L204 I209 V212 L306 | P197-L201 WeakPolarHBondContact O-CB 3.46Å; P197-L201 PolarHBondContact O-N 2.95Å; I198-L201 HydrophobicContact CD1-CB 4.47Å; I198-L201 HydrophobicContact CD1-CD2 3.7Å; I198-L201 CarbonylContact O-C 3.43Å; I198-L201 WeakPolarHBondContact O-CB 3.34Å; I198-L201 PolarHBondContact O-N 2.82Å; I198-L201 VanDerWaalsContact O-N 3.15Å; L201-K203 VanDerWaalsContact C-N 3.28Å; L201-K203 PolarHBondContact O-N 3.5Å; L201-L204 HydrophobicContact CD1-CD1 3.85Å; L201-L204 VanDerWaalsContact O-CB 3.29Å; L201-L204 WeakPolarHBondContact O-CB 3.48Å; L201-L204 PolarHBondContact O-N 3Å; L201-L204 VanDerWaalsContact O-N 3.13Å; L201-I209 WeakPolarHBondContact O-CG1 3.34Å; L201-V212 HydrophobicContact CD1-CB 4.43Å; L201-V212 HydrophobicContact CD1-CG2 3.8Å; L201-V212 HydrophobicContact CD2-CB 3.97Å; L201-V212 HydrophobicContact CD2-CG1 3.67Å; L201-V212 HydrophobicContact CD2-CG2 4.11Å; L201-L306 HydrophobicContact CD2-CD2 4.39Å |
| 202 | L | 58.7 | Low | 60.8 | Low | 63 Ų | 63 | 81.5 Ų | 81.5 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -72.5 | -21.3 | 178.3 | -72 | 171.1 | 0 | 0 | 0 | 112.4 | I198 E199 Q200 L204 I209 T303 | I198-L202 HydrophobicContact CG2-CD1 3.85Å; I198-L202 HydrophobicContact CG2-CG 4.04Å; I198-L202 WeakPolarHBondContact O-CB 3.41Å; I198-L202 WeakPolarHBondContact O-CG 3.39Å; I198-L202 PolarHBondContact O-N 2.61Å; E199-L202 PolarHBondContact O-N 3.14Å; Q200-L202 VanDerWaalsContact C-N 3.33Å; Q200-L202 PolarHBondContact O-N 3.49Å; L202-L204 VanDerWaalsContact C-N 3.3Å; L202-I209 HydrophobicContact CD2-CD1 4.34Å; L202-T303 HydrophobicContact CD1-CG2 3.43Å; L202-T303 VanDerWaalsContact CD1-CG2 3.43Å; L202-T303 WeakPolarHBondContact CD1-OG1 3.35Å |
| 203 | K | 63.2 | Low | 62.6 | Low | 133 Ų | 133 | 79.9 Ų | 79.9 | 58% | 0.578 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -11.1 | 168.9 | -68.9 | 170.1 | -171.5 | -177.8 | 0 | 113.2 | E195 E199 Q200 L201 | E195-K203 IonicContact OE1-NZ 3.8Å; E195-K203 PolarHBondContact OE1-NZ 3.48Å; E195-K203 IonicContact OE2-NZ 2.72Å; E195-K203 PolarHBondContact OE2-NZ 2.87Å; E199-K203 VanDerWaalsContact O-CG 3.28Å; E199-K203 WeakPolarHBondContact O-CG 3.34Å; E199-K203 PolarHBondContact O-N 3.28Å; E199-K203 VanDerWaalsContact O-N 3.13Å; Q200-K203 PolarHBondContact O-N 3.13Å; L201-K203 VanDerWaalsContact C-N 3.28Å; L201-K203 PolarHBondContact O-N 3.5Å |
| 204 | L | 60 | Low | 64.6 | Low | 77 Ų | 77 | 81.9 Ų | 81.9 | 40% | 0.403 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -78.6 | 164.2 | 176.7 | -59.8 | -177 | 0 | 0 | 0 | 112.5 | L201 L202 K208 | L201-L204 HydrophobicContact CD1-CD1 3.85Å; L201-L204 VanDerWaalsContact O-CB 3.29Å; L201-L204 WeakPolarHBondContact O-CB 3.48Å; L201-L204 PolarHBondContact O-N 3Å; L201-L204 VanDerWaalsContact O-N 3.13Å; L202-L204 VanDerWaalsContact C-N 3.3Å; L204-K208 HydrophobicContact CB-CB 4.27Å; L204-K208 HydrophobicContact CB-CD 4.27Å; L204-K208 HydrophobicContact CD1-CB 4.38Å; L204-K208 HydrophobicContact CD1-CD 4.09Å |
| 205 | E | 60.9 | Low | 66.6 | Low | 131 Ų | 131 | 79.2 Ų | 79.2 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | trans | -54.1 | 141.5 | 175.9 | -64.3 | 176 | 159.5 | 0 | 0 | 112.5 | H207 K208 | E205-H207 PolarHBondContact O-N 3.42Å; E205-K208 PolarHBondContact O-N 3.13Å | ||
| 206 | P | 65.3 | Low | 68.4 | Low | 100 Ų | 100 | 74.9 Ų | 74.9 | 65% | 0.649 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -52.5 | -30.3 | -175.4 | -27.6 | 32.8 | 0 | 0 | 0 | 114.9 | N210 | P206-N210 PolarHBondContact O-N 3.12Å; P206-N210 PolarHBondContact O-ND2 3.2Å |
| 207 | H | 62 | Low | 69.9 | Low | 144 Ų | 144 | 75.3 Ų | 75.3 | 67% | 0.667 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66 | -37.3 | 177.5 | -171.2 | -66.7 | 0 | 0 | 0 | 112.5 | E205 N210 T211 | E205-H207 PolarHBondContact O-N 3.42Å; H207-N210 PolarHBondContact O-N 3.37Å; H207-T211 PolarHBondContact O-N 3.21Å; H207-T211 PolarHBondContact O-OG1 3.44Å |
| 208 | K | 64.9 | Low | 71.3 | Confident | 107 Ų | 107 | 78.4 Ų | 78.4 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.7 | -38.4 | 179.7 | -66.7 | -177.8 | -178.9 | 175.3 | 0 | 111.5 | L204 E205 N210 T211 V212 | L204-K208 HydrophobicContact CB-CB 4.27Å; L204-K208 HydrophobicContact CB-CD 4.27Å; L204-K208 HydrophobicContact CD1-CB 4.38Å; L204-K208 HydrophobicContact CD1-CD 4.09Å; E205-K208 PolarHBondContact O-N 3.13Å; K208-N210 VanDerWaalsContact C-N 3.32Å; K208-N210 PolarHBondContact O-N 3.21Å; K208-T211 WeakPolarHBondContact O-CB 3.29Å; K208-T211 PolarHBondContact O-N 3.1Å; K208-V212 PolarHBondContact O-N 3.2Å; K208-V212 VanDerWaalsContact O-N 3.12Å |
| 209 | I | 69.1 | Low | 72.7 | Confident | 24 Ų | 24 | 79.1 Ų | 79.1 | 12% | 0.123 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 174.4 | -62.2 | 168.3 | 0 | 0 | 0 | 110.3 | L201 L202 T211 V212 K213 | L201-I209 WeakPolarHBondContact O-CG1 3.34Å; L202-I209 HydrophobicContact CD2-CD1 4.34Å; I209-T211 VanDerWaalsContact C-N 3.31Å; I209-T211 PolarHBondContact O-N 3.45Å; I209-V212 PolarHBondContact O-N 3.36Å; I209-K213 HydrophobicContact CG2-CD 4.33Å; I209-K213 HydrophobicContact CG2-CG 4.37Å; I209-K213 WeakPolarHBondContact O-CG 3.36Å; I209-K213 PolarHBondContact O-N 3.43Å |
| 210 | N | 77.1 | Confident | 74 | Confident | 91 Ų | 91 | 75.7 Ų | 75.7 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -32.9 | 177.9 | -74.4 | -25.2 | 0 | 0 | 0 | 113.2 | P206 H207 K208 R214 | P206-N210 PolarHBondContact O-N 3.12Å; P206-N210 PolarHBondContact O-ND2 3.2Å; H207-N210 PolarHBondContact O-N 3.37Å; K208-N210 VanDerWaalsContact C-N 3.32Å; K208-N210 PolarHBondContact O-N 3.21Å; N210-R214 WeakPolarHBondContact O-CB 3.42Å; N210-R214 PolarHBondContact O-N 3.38Å; N210-R214 VanDerWaalsContact O-N 3.1Å |
| 211 | T | 77.6 | Confident | 75.1 | Confident | 81 Ų | 81 | 72.3 Ų | 72.3 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 173.4 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | H207 K208 I209 R214 A215 | H207-T211 PolarHBondContact O-N 3.21Å; H207-T211 PolarHBondContact O-OG1 3.44Å; K208-T211 WeakPolarHBondContact O-CB 3.29Å; K208-T211 PolarHBondContact O-N 3.1Å; I209-T211 VanDerWaalsContact C-N 3.31Å; I209-T211 PolarHBondContact O-N 3.45Å; T211-R214 PolarHBondContact O-N 3.23Å; T211-A215 PolarHBondContact O-N 3.34Å |
| 212 | V | 77.7 | Confident | 76.5 | Confident | 38 Ų | 38 | 77.9 Ų | 77.9 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.9 | -46 | 178.3 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | L201 K208 I209 R214 A215 I216 | L201-V212 HydrophobicContact CD1-CB 4.43Å; L201-V212 HydrophobicContact CD1-CG2 3.8Å; L201-V212 HydrophobicContact CD2-CB 3.97Å; L201-V212 HydrophobicContact CD2-CG1 3.67Å; L201-V212 HydrophobicContact CD2-CG2 4.11Å; K208-V212 PolarHBondContact O-N 3.2Å; K208-V212 VanDerWaalsContact O-N 3.12Å; I209-V212 PolarHBondContact O-N 3.36Å; V212-R214 PolarHBondContact O-N 3.2Å; V212-A215 PolarHBondContact O-N 3.35Å; V212-I216 HydrophobicContact CG1-CD1 3.73Å; V212-I216 HydrophobicContact CG1-CG1 4.26Å; V212-I216 WeakPolarHBondContact O-CG1 3.37Å; V212-I216 PolarHBondContact O-N 3.41Å |
| 213 | K | 82.5 | Confident | 77.9 | Confident | 46 Ų | 46 | 77 Ų | 77 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -52.6 | -43.6 | 173.5 | -77.1 | -172.5 | 172.7 | -171.6 | 0 | 111.3 | I209 M217 E235 L306 | I209-K213 HydrophobicContact CG2-CD 4.33Å; I209-K213 HydrophobicContact CG2-CG 4.37Å; I209-K213 WeakPolarHBondContact O-CG 3.36Å; I209-K213 PolarHBondContact O-N 3.43Å; K213-M217 VanDerWaalsContact O-CB 3.26Å; K213-M217 WeakPolarHBondContact O-CB 3.49Å; K213-M217 PolarHBondContact O-N 3.21Å; K213-E235 IonicContact NZ-OE1 2.75Å; K213-E235 PolarHBondContact NZ-OE1 2.91Å; K213-L306 HydrophobicContact CG-CD1 4.25Å |
| 214 | R | 83.1 | Confident | 79 | Confident | 190 Ų | 190 | 70.7 Ų | 70.7 | 72% | 0.717 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.8 | -40.6 | 177.7 | -167.2 | 178.9 | -53.1 | -154.9 | 1 | 112.9 | N210 T211 V212 M217 H218 | N210-R214 WeakPolarHBondContact O-CB 3.42Å; N210-R214 PolarHBondContact O-N 3.38Å; N210-R214 VanDerWaalsContact O-N 3.1Å; T211-R214 PolarHBondContact O-N 3.23Å; V212-R214 PolarHBondContact O-N 3.2Å; R214-M217 PolarHBondContact O-N 2.96Å; R214-H218 WeakPolarHBondContact O-CB 3.31Å; R214-H218 PolarHBondContact O-N 3.42Å |
| 215 | A | 83.8 | Confident | 80.3 | Confident | 45 Ų | 45 | 70.6 Ų | 70.6 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T211 V212 H218 F219 | T211-A215 PolarHBondContact O-N 3.34Å; V212-A215 PolarHBondContact O-N 3.35Å; A215-H218 PolarHBondContact O-N 2.94Å; A215-F219 PolarHBondContact O-N 3.46Å |
| 216 | I | 86.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 176 | -65 | 170.2 | 0 | 0 | 0 | 110.1 | V212 H218 F219 V220 M234 L306 L309 Y310 F313 | V212-I216 HydrophobicContact CG1-CD1 3.73Å; V212-I216 HydrophobicContact CG1-CG1 4.26Å; V212-I216 WeakPolarHBondContact O-CG1 3.37Å; V212-I216 PolarHBondContact O-N 3.41Å; I216-H218 VanDerWaalsContact C-N 3.31Å; I216-H218 PolarHBondContact O-N 3.26Å; I216-F219 WeakPolarHBondContact O-CB 3.28Å; I216-F219 PolarHBondContact O-N 2.89Å; I216-F219 VanDerWaalsContact O-N 3.12Å; I216-V220 HydrophobicContact CG2-CG2 4.29Å; I216-V220 WeakPolarHBondContact O-CG2 3.28Å; I216-V220 PolarHBondContact O-N 3.48Å; I216-M234 HydrophobicContact CB-CE 4.02Å; I216-M234 HydrophobicContact CG2-CE 3.6Å; I216-L306 HydrophobicContact CD1-CD1 3.54Å; I216-L309 HydrophobicContact CG2-CB 3.7Å; I216-L309 HydrophobicContact CG2-CD1 4.41Å; I216-Y310 HydrophobicContact CD1-CD2 4.1Å; I216-F313 HydrophobicContact CG1-CB 4.39Å; I216-F313 HydrophobicContact CG1-CG 4.35Å |
| 217 | M | 87.9 | Confident | 82.2 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 20% | 0.197 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 176.8 | -170.6 | 72 | 83.6 | 0 | 0 | 112 | K213 R214 N221 V231 M234 | K213-M217 VanDerWaalsContact O-CB 3.26Å; K213-M217 WeakPolarHBondContact O-CB 3.49Å; K213-M217 PolarHBondContact O-N 3.21Å; R214-M217 PolarHBondContact O-N 2.96Å; M217-N221 WeakPolarHBondContact O-CB 3.41Å; M217-N221 PolarHBondContact O-N 3.48Å; M217-N221 PolarHBondContact O-ND2 3.37Å; M217-V231 HydrophobicContact SD-CB 4.06Å; M217-V231 HydrophobicContact SD-CG1 3.76Å; M217-M234 HydrophobicContact CB-CE 4.02Å; M217-M234 HydrophobicContact CE-CB 3.41Å; M217-M234 VanDerWaalsContact CE-CB 3.41Å; M217-M234 HydrophobicContact CE-CE 4.12Å; M217-M234 HydrophobicContact SD-CB 4.22Å; M217-M234 HydrophobicContact SD-CE 4.13Å |
| 218 | H | 86.8 | Confident | 83.3 | Confident | 134 Ų | 134 | 64.2 Ų | 64.2 | 62% | 0.62 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 175.9 | 179.8 | -85.9 | 0 | 0 | 0 | 111.7 | R214 A215 I216 K222 | R214-H218 WeakPolarHBondContact O-CB 3.31Å; R214-H218 PolarHBondContact O-N 3.42Å; A215-H218 PolarHBondContact O-N 2.94Å; I216-H218 VanDerWaalsContact C-N 3.31Å; I216-H218 PolarHBondContact O-N 3.26Å; H218-K222 VanDerWaalsContact O-CB 3.31Å; H218-K222 WeakPolarHBondContact O-CB 3.26Å; H218-K222 PolarHBondContact O-N 2.96Å |
| 219 | F | 90.4 | Very high | 84.4 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 175.5 | 165.1 | -97.1 | 0 | 0 | 0 | 112.4 | A215 I216 N221 K222 K223 L251 F313 H316 | A215-F219 PolarHBondContact O-N 3.46Å; I216-F219 WeakPolarHBondContact O-CB 3.28Å; I216-F219 PolarHBondContact O-N 2.89Å; I216-F219 VanDerWaalsContact O-N 3.12Å; F219-N221 PolarHBondContact O-N 2.95Å; F219-K222 WeakPolarHBondContact O-CB 3.29Å; F219-K222 PolarHBondContact O-N 3.14Å; F219-K223 HydrophobicContact CD2-CG 4.33Å; F219-K223 HydrophobicContact CE2-CG 4.01Å; F219-K223 HydrophobicContact CZ-CG 4.16Å; F219-K223 WeakPolarHBondContact O-CG 3.29Å; F219-K223 PolarHBondContact O-N 3.18Å; F219-L251 HydrophobicContact CE1-CD1 4.3Å; F219-L251 HydrophobicContact CE1-CD2 4.34Å; F219-L251 HydrophobicContact CE2-CD2 4.34Å; F219-L251 HydrophobicContact CZ-CD1 4.2Å; F219-L251 HydrophobicContact CZ-CD2 3.6Å; F219-F313 HydrophobicContact CB-CD2 3.62Å; F219-F313 HydrophobicContact CB-CE2 3.92Å; F219-F313 HydrophobicContact CD1-CB 4.22Å; F219-F313 AromaticContact CD1-CD2 3.9Å; F219-F313 HydrophobicContact CD1-CD2 3.9Å; F219-F313 AromaticContact CD2-CD2 3.85Å; F219-F313 HydrophobicContact CD2-CD2 3.85Å; F219-F313 HydrophobicContact CD2-CE2 4.31Å; F219-F313 HydrophobicContact CE1-CB 4.31Å; F219-F313 HydrophobicContact CE2-CD2 4.46Å; F219-F313 AromaticContact CG-CD2 3.52Å; F219-F313 HydrophobicContact CG-CD2 3.52Å; F219-F313 HydrophobicContact CG-CE2 4.18Å; F219-H316 HydrophobicContact CE2-CB 4.16Å; F219-H316 HydrophobicContact CZ-CB 3.89Å |
| 220 | V | 89.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.8 | -52.6 | 177.5 | 169.9 | 0 | 0 | 0 | 0 | 109.6 | I216 K222 K223 M224 V231 F238 L247 L309 | I216-V220 HydrophobicContact CG2-CG2 4.29Å; I216-V220 WeakPolarHBondContact O-CG2 3.28Å; I216-V220 PolarHBondContact O-N 3.48Å; V220-K222 VanDerWaalsContact C-N 3.31Å; V220-K222 PolarHBondContact O-N 3.36Å; V220-K223 PolarHBondContact O-N 3.32Å; V220-K223 VanDerWaalsContact O-N 3.1Å; V220-M224 HydrophobicContact CG1-CG 3.97Å; V220-M224 WeakPolarHBondContact O-CB 3.32Å; V220-M224 VanDerWaalsContact O-CG 3.24Å; V220-M224 WeakPolarHBondContact O-CG 3.14Å; V220-M224 PolarHBondContact O-N 3.44Å; V220-V231 HydrophobicContact CG1-CB 4.37Å; V220-V231 HydrophobicContact CG1-CG2 3.82Å; V220-F238 HydrophobicContact CG1-CZ 3.94Å; V220-F238 HydrophobicContact CG2-CZ 4.32Å; V220-L247 HydrophobicContact CG1-CD2 4.43Å; V220-L247 HydrophobicContact CG2-CD2 4.01Å; V220-L309 HydrophobicContact CG2-CD2 4.4Å |
| 221 | N | 90.3 | Very high | 85.8 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 19% | 0.187 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -37.1 | -179.5 | -81 | -42.7 | 0 | 0 | 0 | 112.9 | M217 F219 K223 S225 Q230 V231 | M217-N221 WeakPolarHBondContact O-CB 3.41Å; M217-N221 PolarHBondContact O-N 3.48Å; M217-N221 PolarHBondContact O-ND2 3.37Å; F219-N221 PolarHBondContact O-N 2.95Å; N221-K223 PolarHBondContact O-N 3.16Å; N221-S225 WeakPolarHBondContact O-CB 3.43Å; N221-S225 PolarHBondContact O-N 3.34Å; N221-Q230 WeakPolarHBondContact OD1-CA 3.22Å; N221-Q230 WeakPolarHBondContact OD1-CG 3.46Å; N221-V231 PolarHBondContact ND2-O 3.46Å; N221-V231 PolarHBondContact OD1-N 3Å; N221-V231 PolarHBondContact OD1-O 3.33Å |
| 222 | K | 88.8 | Confident | 86.2 | Confident | 138 Ų | 138 | 64.9 Ų | 64.9 | 60% | 0.6 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.4 | -45.5 | 174.1 | -177.9 | 179.9 | 177.9 | -175.6 | 0 | 111.2 | H218 F219 V220 S225 | H218-K222 VanDerWaalsContact O-CB 3.31Å; H218-K222 WeakPolarHBondContact O-CB 3.26Å; H218-K222 PolarHBondContact O-N 2.96Å; F219-K222 WeakPolarHBondContact O-CB 3.29Å; F219-K222 PolarHBondContact O-N 3.14Å; V220-K222 VanDerWaalsContact C-N 3.31Å; V220-K222 PolarHBondContact O-N 3.36Å; K222-S225 PolarHBondContact O-OG 2.91Å |
| 223 | K | 87 | Confident | 86.5 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.1 | -34 | -178.1 | -63.9 | -69.7 | -175.4 | 177 | 0 | 112.4 | F219 V220 N221 T226 L247 Q250 L251 R319 | F219-K223 HydrophobicContact CD2-CG 4.33Å; F219-K223 HydrophobicContact CE2-CG 4.01Å; F219-K223 HydrophobicContact CZ-CG 4.16Å; F219-K223 WeakPolarHBondContact O-CG 3.29Å; F219-K223 PolarHBondContact O-N 3.18Å; V220-K223 PolarHBondContact O-N 3.32Å; V220-K223 VanDerWaalsContact O-N 3.1Å; N221-K223 PolarHBondContact O-N 3.16Å; K223-T226 PolarHBondContact O-OG1 3.03Å; K223-L247 HydrophobicContact CB-CD1 4.21Å; K223-Q250 WeakPolarHBondContact O-CG 3.43Å; K223-L251 HydrophobicContact CB-CD2 4.34Å; K223-L251 HydrophobicContact CD-CD2 3.9Å; K223-L251 HydrophobicContact CG-CD2 3.81Å; K223-R319 PolarHBondContact NZ-OXT 3.27Å |
| 224 | M | 87.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -81.6 | -14.6 | 179.4 | -64.8 | -58.3 | -80.3 | 0 | 0 | 113.9 | V220 T226 L227 G228 L229 I243 L246 L247 | V220-M224 HydrophobicContact CG1-CG 3.97Å; V220-M224 WeakPolarHBondContact O-CB 3.32Å; V220-M224 VanDerWaalsContact O-CG 3.24Å; V220-M224 WeakPolarHBondContact O-CG 3.14Å; V220-M224 PolarHBondContact O-N 3.44Å; M224-T226 PolarHBondContact O-N 3.34Å; M224-T226 VanDerWaalsContact O-N 3.16Å; M224-L227 HydrophobicContact CE-CD1 4.05Å; M224-L227 PolarHBondContact O-N 2.6Å; M224-L227 HydrophobicContact SD-CD1 4.16Å; M224-G228 PolarHBondContact O-N 2.92Å; M224-L229 CarbonylContact C-O 3.53Å; M224-L229 HydrophobicContact CB-CB 4.26Å; M224-L229 HydrophobicContact CE-CB 4.23Å; M224-L229 HydrophobicContact CE-CD1 3.55Å; M224-L229 PolarHBondContact O-N 2.9Å; M224-I243 HydrophobicContact CE-CG2 4.09Å; M224-L246 HydrophobicContact CE-CB 3.8Å; M224-L247 HydrophobicContact CG-CD1 4.12Å; M224-L247 HydrophobicContact SD-CB 3.91Å; M224-L247 HydrophobicContact SD-CD1 3.95Å |
| 225 | S | 87.1 | Confident | 86.2 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 52% | 0.524 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -56.1 | -31 | 177.4 | 67.7 | 0 | 0 | 0 | 0 | 113.7 | N221 K222 L227 G228 | N221-S225 WeakPolarHBondContact O-CB 3.43Å; N221-S225 PolarHBondContact O-N 3.34Å; K222-S225 PolarHBondContact O-OG 2.91Å; S225-L227 PolarHBondContact O-N 3.36Å; S225-G228 PolarHBondContact O-N 3.29Å; S225-G228 VanDerWaalsContact O-N 3.09Å |
| 226 | T | 82.3 | Confident | 86.3 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -65.7 | -25.8 | 176.8 | 52.1 | 0 | 0 | 0 | 0 | 113 | K223 M224 Q250 | K223-T226 PolarHBondContact O-OG1 3.03Å; M224-T226 PolarHBondContact O-N 3.34Å; M224-T226 VanDerWaalsContact O-N 3.16Å; T226-Q250 VanDerWaalsContact OG1-CD 3.27Å; T226-Q250 PolarHBondContact OG1-NE2 3.46Å |
| 227 | L | 83.8 | Confident | 86.5 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 41% | 0.414 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -93.9 | 1.6 | 176.4 | -59.9 | 176.4 | 0 | 0 | 0 | 112.3 | M224 S225 L229 L246 Q250 | M224-L227 HydrophobicContact CE-CD1 4.05Å; M224-L227 PolarHBondContact O-N 2.6Å; M224-L227 HydrophobicContact SD-CD1 4.16Å; S225-L227 PolarHBondContact O-N 3.36Å; L227-L229 HydrophobicContact CB-CD1 4.18Å; L227-L229 HydrophobicContact CB-CG 4.26Å; L227-L229 PolarHBondContact O-N 3.37Å; L227-L246 HydrophobicContact CD1-CB 4.13Å; L227-Q250 HydrophobicContact CD1-CB 4.49Å |
| 228 | G | 85.4 | Confident | 86.7 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 71% | 0.711 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 18.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | M224 S225 | M224-G228 PolarHBondContact O-N 2.92Å; S225-G228 PolarHBondContact O-N 3.29Å; S225-G228 VanDerWaalsContact O-N 3.09Å |
| 229 | L | 87.1 | Confident | 87 | Confident | 65 Ų | 65 | 57 Ų | 57 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | trans | -101.2 | 142.1 | -178.5 | -67.1 | 173.9 | 0 | 0 | 0 | 111.1 | M224 L227 L246 | M224-L229 CarbonylContact C-O 3.53Å; M224-L229 HydrophobicContact CB-CB 4.26Å; M224-L229 HydrophobicContact CE-CB 4.23Å; M224-L229 HydrophobicContact CE-CD1 3.55Å; M224-L229 PolarHBondContact O-N 2.9Å; L227-L229 HydrophobicContact CB-CD1 4.18Å; L227-L229 HydrophobicContact CB-CG 4.26Å; L227-L229 PolarHBondContact O-N 3.37Å; L229-L246 HydrophobicContact CD1-CD1 3.69Å | ||
| 230 | Q | 87.2 | Confident | 87 | Confident | 144 Ų | 144 | 58.6 Ų | 58.6 | 67% | 0.673 | 32% | 0.32 | S | S | * | . | trans | -132 | 127 | 174.4 | -170.8 | 178.4 | 5.4 | 0 | 0 | 110.2 | N221 | N221-Q230 WeakPolarHBondContact OD1-CA 3.22Å; N221-Q230 WeakPolarHBondContact OD1-CG 3.46Å | ||
| 231 | V | 88.7 | Confident | 87.2 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | trans | -94.5 | 120.1 | 173.2 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | M217 V220 N221 Q237 F238 I243 | M217-V231 HydrophobicContact SD-CB 4.06Å; M217-V231 HydrophobicContact SD-CG1 3.76Å; V220-V231 HydrophobicContact CG1-CB 4.37Å; V220-V231 HydrophobicContact CG1-CG2 3.82Å; N221-V231 PolarHBondContact ND2-O 3.46Å; N221-V231 PolarHBondContact OD1-N 3Å; N221-V231 PolarHBondContact OD1-O 3.33Å; V231-Q237 HydrophobicContact CG1-CB 4.3Å; V231-F238 HydrophobicContact CG1-CE2 3.91Å; V231-F238 HydrophobicContact CG2-CZ 4.43Å; V231-I243 HydrophobicContact CG2-CD1 4.12Å; V231-I243 HydrophobicContact CG2-CG2 3.88Å | ||
| 232 | T | 85.6 | Confident | 87.4 | Confident | 107 Ų | 107 | 57.6 Ų | 57.6 | 66% | 0.656 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -106.3 | -28.2 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 112 | Q237 | T232-Q237 PolarHBondContact OG1-OE1 2.83Š|
| 233 | D | 83.6 | Confident | 87.6 | Confident | 50 Ų | 50 | 52 Ų | 52 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | trans | -131.5 | 99.9 | 179.5 | -172.5 | -10.2 | 0 | 0 | 0 | 110.6 | E235 K236 Q237 | D233-E235 PolarHBondContact O-N 3.4Å; D233-E235 PolarHBondContact OD1-N 3.01Å; D233-K236 PolarHBondContact O-N 2.99Å; D233-K236 VanDerWaalsContact OD2-CD 3.3Å; D233-K236 WeakPolarHBondContact OD2-CD 3.45Å; D233-K236 WeakPolarHBondContact OD2-CG 3.42Å; D233-K236 IonicContact OD2-NZ 2.84Å; D233-Q237 HydrophobicContact CB-CG 4.45Å; D233-Q237 VanDerWaalsContact O-CB 3.26Å; D233-Q237 WeakPolarHBondContact O-CB 3.5Å; D233-Q237 VanDerWaalsContact O-CG 3.24Å; D233-Q237 WeakPolarHBondContact O-CG 3.28Å; D233-Q237 PolarHBondContact O-N 3.43Å; D233-Q237 PolarHBondContact O-OE1 3.4Å | ||
| 234 | M | 82.1 | Confident | 87.9 | Confident | 13 Ų | 13 | 50 Ų | 50 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23.1 | -179.6 | 173.9 | -174.5 | -63.6 | 0 | 0 | 112.2 | I216 M217 K236 F238 T305 L306 L309 | I216-M234 HydrophobicContact CB-CE 4.02Å; I216-M234 HydrophobicContact CG2-CE 3.6Å; M217-M234 HydrophobicContact CB-CE 4.02Å; M217-M234 HydrophobicContact CE-CB 3.41Å; M217-M234 VanDerWaalsContact CE-CB 3.41Å; M217-M234 HydrophobicContact CE-CE 4.12Å; M217-M234 HydrophobicContact SD-CB 4.22Å; M217-M234 HydrophobicContact SD-CE 4.13Å; M234-K236 VanDerWaalsContact C-N 3.31Å; M234-F238 HydrophobicContact CB-CD2 4.5Å; M234-F238 HydrophobicContact CB-CE2 4.28Å; M234-F238 HydrophobicContact CG-CD2 4.12Å; M234-F238 HydrophobicContact CG-CE2 3.95Å; M234-F238 WeakPolarHBondContact O-CD2 3.49Å; M234-T305 HydrophobicContact CG-CG2 4.41Å; M234-L306 HydrophobicContact SD-CD1 4.23Å; M234-L309 HydrophobicContact CE-CD1 4Å; M234-L309 HydrophobicContact CG-CD1 3.55Å; M234-L309 HydrophobicContact SD-CD1 3.69Å |
| 235 | E | 77.7 | Confident | 88.2 | Confident | 81 Ų | 81 | 50 Ų | 50 | 38% | 0.379 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -21.9 | -175.1 | -58.6 | -178.2 | 174.7 | 0 | 0 | 110.9 | K213 D233 Q300 V302 | K213-E235 IonicContact NZ-OE1 2.75Å; K213-E235 PolarHBondContact NZ-OE1 2.91Å; D233-E235 PolarHBondContact O-N 3.4Å; D233-E235 PolarHBondContact OD1-N 3.01Å; E235-Q300 WeakPolarHBondContact O-CB 3.32Å; E235-V302 HydrophobicContact CB-CG2 4.23Å; E235-V302 HydrophobicContact CG-CG1 4.29Å; E235-V302 HydrophobicContact CG-CG2 3.85Å |
| 236 | K | 85.6 | Confident | 88.4 | Confident | 117 Ų | 117 | 48.4 Ų | 48.4 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -41.9 | -177.9 | -61.8 | -175.8 | -171.8 | 167.4 | 0 | 114 | D233 M234 F238 S239 | D233-K236 PolarHBondContact O-N 2.99Å; D233-K236 VanDerWaalsContact OD2-CD 3.3Å; D233-K236 WeakPolarHBondContact OD2-CD 3.45Å; D233-K236 WeakPolarHBondContact OD2-CG 3.42Å; D233-K236 IonicContact OD2-NZ 2.84Å; M234-K236 VanDerWaalsContact C-N 3.31Å; K236-F238 PolarHBondContact O-N 3.37Å; K236-F238 VanDerWaalsContact O-N 3.14Å; K236-S239 WeakPolarHBondContact O-CB 3.3Å; K236-S239 PolarHBondContact O-N 2.93Å; K236-S239 VanDerWaalsContact O-N 3.15Å; K236-S239 PolarHBondContact O-OG 2.67Å |
| 237 | Q | 91.4 | Very high | 88.9 | Confident | 53 Ų | 53 | 44 Ų | 44 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4.5 | -167.2 | -63.2 | -176.6 | -91 | 0 | 0 | 114.4 | V231 T232 D233 I243 | V231-Q237 HydrophobicContact CG1-CB 4.3Å; T232-Q237 PolarHBondContact OG1-OE1 2.83Å; D233-Q237 HydrophobicContact CB-CG 4.45Å; D233-Q237 VanDerWaalsContact O-CB 3.26Å; D233-Q237 WeakPolarHBondContact O-CB 3.5Å; D233-Q237 VanDerWaalsContact O-CG 3.24Å; D233-Q237 WeakPolarHBondContact O-CG 3.28Å; D233-Q237 PolarHBondContact O-N 3.43Å; D233-Q237 PolarHBondContact O-OE1 3.4Å; Q237-I243 HydrophobicContact CB-CD1 3.8Å; Q237-I243 VanDerWaalsContact O-CD1 3.27Å; Q237-I243 WeakPolarHBondContact O-CD1 3.44Å; Q237-I243 WeakPolarHBondContact O-CG1 3.28Å |
| 238 | F | 92.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -12.8 | 172.7 | -71.9 | -84.2 | 0 | 0 | 0 | 113.7 | V220 V231 M234 K236 D240 G241 I243 L244 L247 T305 L309 | V220-F238 HydrophobicContact CG1-CZ 3.94Å; V220-F238 HydrophobicContact CG2-CZ 4.32Å; V231-F238 HydrophobicContact CG1-CE2 3.91Å; V231-F238 HydrophobicContact CG2-CZ 4.43Å; M234-F238 HydrophobicContact CB-CD2 4.5Å; M234-F238 HydrophobicContact CB-CE2 4.28Å; M234-F238 HydrophobicContact CG-CD2 4.12Å; M234-F238 HydrophobicContact CG-CE2 3.95Å; M234-F238 WeakPolarHBondContact O-CD2 3.49Å; K236-F238 PolarHBondContact O-N 3.37Å; K236-F238 VanDerWaalsContact O-N 3.14Å; F238-D240 PolarHBondContact O-N 2.91Å; F238-G241 PolarHBondContact O-N 3.3Å; F238-I243 HydrophobicContact CD1-CB 4.28Å; F238-I243 HydrophobicContact CD1-CG2 4.08Å; F238-I243 HydrophobicContact CE1-CB 4.29Å; F238-I243 HydrophobicContact CE1-CG2 3.6Å; F238-I243 HydrophobicContact CZ-CG2 4.01Å; F238-L244 HydrophobicContact CD1-CB 4.1Å; F238-L244 HydrophobicContact CD1-CD1 4.46Å; F238-L247 HydrophobicContact CE1-CD2 4.25Å; F238-T305 HydrophobicContact CB-CG2 3.93Å; F238-T305 HydrophobicContact CD2-CG2 4.22Å; F238-T305 HydrophobicContact CG-CG2 4.21Å; F238-L309 HydrophobicContact CD1-CD2 4.07Å; F238-L309 HydrophobicContact CD2-CD1 3.97Å; F238-L309 HydrophobicContact CE1-CD1 4.26Å; F238-L309 HydrophobicContact CE1-CD2 3.5Å; F238-L309 VanDerWaalsContact CE1-CD2 3.5Å; F238-L309 HydrophobicContact CE1-CG 4.45Å; F238-L309 HydrophobicContact CE2-CD1 3.58Å; F238-L309 HydrophobicContact CE2-CD2 4.32Å; F238-L309 HydrophobicContact CG-CD1 4.44Å; F238-L309 HydrophobicContact CZ-CD1 3.72Å; F238-L309 HydrophobicContact CZ-CD2 3.62Å; F238-L309 HydrophobicContact CZ-CG 4.32Å |
| 239 | S | 92.2 | Very high | 89.5 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 8% | 0.077 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22.3 | -172.4 | 61 | 0 | 0 | 0 | 0 | 114 | K236 M271 I297 | K236-S239 WeakPolarHBondContact O-CB 3.3Å; K236-S239 PolarHBondContact O-N 2.93Å; K236-S239 VanDerWaalsContact O-N 3.15Å; K236-S239 PolarHBondContact O-OG 2.67Å; S239-M271 WeakPolarHBondContact O-CE 3.24Å; S239-I297 WeakPolarHBondContact CA-O 3.49Å; S239-I297 WeakPolarHBondContact CB-O 3.12Å |
| 240 | D | 91.9 | Very high | 89.6 | Confident | 50 Ų | 50 | 37.5 Ų | 37.5 | 27% | 0.267 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -3.4 | 178 | 70.5 | 8.6 | 0 | 0 | 0 | 114 | F238 V242 P265 M271 N274 | F238-D240 PolarHBondContact O-N 2.91Å; D240-V242 PolarHBondContact O-N 3.03Å; D240-V242 VanDerWaalsContact O-N 3.12Å; D240-V242 PolarHBondContact OD1-N 3.49Å; D240-P265 HydrophobicContact CB-CG 3.7Å; D240-M271 HydrophobicContact CB-CE 4.1Å; D240-M271 HydrophobicContact CB-CG 4.2Å; D240-N274 WeakPolarHBondContact O-CB 3.43Å; D240-N274 PolarHBondContact O-ND2 3.38Å |
| 241 | G | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 73 | -12.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | F238 L244 L245 | F238-G241 PolarHBondContact O-N 3.3Å; G241-L244 PolarHBondContact O-N 3.37Å; G241-L245 WeakPolarHBondContact O-CG 3.26Å; G241-L245 PolarHBondContact O-N 3.4Å |
| 242 | V | 94.2 | Very high | 89.8 | Confident | 15 Ų | 15 | 33.8 Ų | 33.8 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.8 | -50.4 | -173 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | D240 L244 L245 L246 F261 N262 P265 | D240-V242 PolarHBondContact O-N 3.03Å; D240-V242 VanDerWaalsContact O-N 3.12Å; D240-V242 PolarHBondContact OD1-N 3.49Å; V242-L244 PolarHBondContact O-N 3.41Å; V242-L245 PolarHBondContact O-N 3.48Å; V242-L246 HydrophobicContact CG1-CD1 4.08Å; V242-L246 VanDerWaalsContact O-CG 3.31Å; V242-L246 WeakPolarHBondContact O-CG 3.5Å; V242-L246 PolarHBondContact O-N 3.19Å; V242-L246 VanDerWaalsContact O-N 3.09Å; V242-F261 HydrophobicContact CG1-CE2 4.26Å; V242-N262 WeakPolarHBondContact CG2-O 3.15Å; V242-P265 HydrophobicContact CG2-CG 4.18Å |
| 243 | I | 92.9 | Very high | 89.9 | Confident | 20 Ų | 20 | 32.1 Ų | 32.1 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -35.6 | 179.2 | -60.7 | -167 | 0 | 0 | 0 | 110.8 | M224 V231 Q237 F238 L247 | M224-I243 HydrophobicContact CE-CG2 4.09Å; V231-I243 HydrophobicContact CG2-CD1 4.12Å; V231-I243 HydrophobicContact CG2-CG2 3.88Å; Q237-I243 HydrophobicContact CB-CD1 3.8Å; Q237-I243 VanDerWaalsContact O-CD1 3.27Å; Q237-I243 WeakPolarHBondContact O-CD1 3.44Å; Q237-I243 WeakPolarHBondContact O-CG1 3.28Å; F238-I243 HydrophobicContact CD1-CB 4.28Å; F238-I243 HydrophobicContact CD1-CG2 4.08Å; F238-I243 HydrophobicContact CE1-CB 4.29Å; F238-I243 HydrophobicContact CE1-CG2 3.6Å; F238-I243 HydrophobicContact CZ-CG2 4.01Å; I243-L247 VanDerWaalsContact O-CB 3.22Å; I243-L247 WeakPolarHBondContact O-CB 3.34Å; I243-L247 PolarHBondContact O-N 3.06Å |
| 244 | L | 93.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -47.6 | 179.3 | -174.1 | 57.5 | 0 | 0 | 0 | 111.6 | F238 G241 V242 L246 L247 I248 A278 I297 V308 L309 L312 | F238-L244 HydrophobicContact CD1-CB 4.1Å; F238-L244 HydrophobicContact CD1-CD1 4.46Å; G241-L244 PolarHBondContact O-N 3.37Å; V242-L244 PolarHBondContact O-N 3.41Å; L244-L246 PolarHBondContact O-N 2.84Å; L244-L247 PolarHBondContact O-N 2.9Å; L244-I248 HydrophobicContact CD1-CD1 4.32Å; L244-I248 HydrophobicContact CG-CD1 4.09Å; L244-I248 VanDerWaalsContact O-CG1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.47Å; L244-I248 PolarHBondContact O-N 2.95Å; L244-A278 HydrophobicContact CB-CB 4.37Å; L244-A278 HydrophobicContact CD2-CB 3.65Å; L244-A278 HydrophobicContact CG-CB 3.83Å; L244-I297 HydrophobicContact CD2-CD1 4.43Å; L244-V308 HydrophobicContact CD1-CG1 3.69Å; L244-V308 HydrophobicContact CD2-CG1 4.11Å; L244-L309 HydrophobicContact CD1-CD2 4.3Å; L244-L312 HydrophobicContact CD1-CD1 4.04Å |
| 245 | L | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 176.3 | -74.5 | 167.5 | 0 | 0 | 0 | 112.1 | G241 V242 L247 I248 G249 F261 N274 V277 A278 L281 | G241-L245 WeakPolarHBondContact O-CG 3.26Å; G241-L245 PolarHBondContact O-N 3.4Å; V242-L245 PolarHBondContact O-N 3.48Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-L247 PolarHBondContact O-N 2.88Å; L245-I248 PolarHBondContact O-N 2.81Å; L245-G249 PolarHBondContact O-N 2.88Å; L245-F261 HydrophobicContact CD1-CB 3.42Å; L245-F261 VanDerWaalsContact CD1-CB 3.42Å; L245-F261 HydrophobicContact CD1-CD1 4.15Å; L245-F261 HydrophobicContact CD1-CD2 3.68Å; L245-F261 HydrophobicContact CD1-CE2 4.46Å; L245-F261 HydrophobicContact CD1-CG 3.49Å; L245-F261 VanDerWaalsContact CD1-CG 3.49Å; L245-N274 HydrophobicContact CD1-CB 4.05Å; L245-V277 HydrophobicContact CD2-CB 4.15Å; L245-V277 HydrophobicContact CD2-CG1 3.74Å; L245-A278 HydrophobicContact CD2-CB 3.75Å; L245-A278 HydrophobicContact CG-CB 3.97Å; L245-L281 HydrophobicContact CD2-CD1 3.78Å |
| 246 | L | 91.9 | Very high | 90.8 | Very high | 42 Ų | 42 | 36.1 Ų | 36.1 | 22% | 0.22 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -40 | 178.4 | -66.8 | 176.4 | 0 | 0 | 0 | 111.8 | M224 L227 L229 V242 L244 Q250 F261 | M224-L246 HydrophobicContact CE-CB 3.8Å; L227-L246 HydrophobicContact CD1-CB 4.13Å; L229-L246 HydrophobicContact CD1-CD1 3.69Å; V242-L246 HydrophobicContact CG1-CD1 4.08Å; V242-L246 VanDerWaalsContact O-CG 3.31Å; V242-L246 WeakPolarHBondContact O-CG 3.5Å; V242-L246 PolarHBondContact O-N 3.19Å; V242-L246 VanDerWaalsContact O-N 3.09Å; L244-L246 PolarHBondContact O-N 2.84Å; L246-Q250 VanDerWaalsContact O-CB 3.29Å; L246-Q250 WeakPolarHBondContact O-CB 3.35Å; L246-Q250 PolarHBondContact O-N 2.73Å; L246-F261 HydrophobicContact CD2-CZ 4.33Å |
| 247 | L | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 176.5 | 177.6 | 63.8 | 0 | 0 | 0 | 111.6 | V220 K223 M224 F238 I243 L244 L245 Q250 L251 L309 L312 | V220-L247 HydrophobicContact CG1-CD2 4.43Å; V220-L247 HydrophobicContact CG2-CD2 4.01Å; K223-L247 HydrophobicContact CB-CD1 4.21Å; M224-L247 HydrophobicContact CG-CD1 4.12Å; M224-L247 HydrophobicContact SD-CB 3.91Å; M224-L247 HydrophobicContact SD-CD1 3.95Å; F238-L247 HydrophobicContact CE1-CD2 4.25Å; I243-L247 VanDerWaalsContact O-CB 3.22Å; I243-L247 WeakPolarHBondContact O-CB 3.34Å; I243-L247 PolarHBondContact O-N 3.06Å; L244-L247 PolarHBondContact O-N 2.9Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-L247 PolarHBondContact O-N 2.88Å; L247-Q250 PolarHBondContact O-N 2.91Å; L247-L251 HydrophobicContact CD1-CD1 3.9Å; L247-L251 HydrophobicContact CD1-CG 4.09Å; L247-L251 HydrophobicContact CG-CD1 3.88Å; L247-L251 HydrophobicContact CG-CG 4.45Å; L247-L251 WeakPolarHBondContact O-CB 3.49Å; L247-L251 VanDerWaalsContact O-CG 3.24Å; L247-L251 WeakPolarHBondContact O-CG 3.32Å; L247-L251 PolarHBondContact O-N 2.91Å; L247-L309 HydrophobicContact CD2-CD2 3.82Å; L247-L312 HydrophobicContact CD2-CD1 4.03Å; L247-L312 HydrophobicContact CG-CD1 4.46Å |
| 248 | I | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -50.6 | 177.9 | -66.9 | 162.5 | 0 | 0 | 0 | 110.2 | L244 L245 Q250 L251 E252 F254 A278 L281 L282 I285 L312 | L244-I248 HydrophobicContact CD1-CD1 4.32Å; L244-I248 HydrophobicContact CG-CD1 4.09Å; L244-I248 VanDerWaalsContact O-CG1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.47Å; L244-I248 PolarHBondContact O-N 2.95Å; L245-I248 PolarHBondContact O-N 2.81Å; I248-Q250 VanDerWaalsContact C-N 3.31Å; I248-Q250 PolarHBondContact O-N 3.1Å; I248-L251 PolarHBondContact O-N 3.49Å; I248-L251 VanDerWaalsContact O-N 3.14Å; I248-E252 PolarHBondContact O-N 3.17Å; I248-F254 HydrophobicContact CG2-CE1 4.49Å; I248-F254 HydrophobicContact CG2-CZ 3.92Å; I248-A278 HydrophobicContact CD1-CB 4Å; I248-A278 WeakPolarHBondContact CD1-O 3.27Å; I248-L281 HydrophobicContact CG2-CB 4.24Å; I248-L282 HydrophobicContact CD1-CD1 4.34Å; I248-L282 HydrophobicContact CD1-CD2 3.83Å; I248-L282 HydrophobicContact CD1-CG 3.77Å; I248-L282 HydrophobicContact CG1-CD2 3.91Å; I248-L282 HydrophobicContact CG1-CG 4.41Å; I248-I285 HydrophobicContact CG2-CD1 4.2Å; I248-L312 HydrophobicContact CG1-CD1 4.23Å; I248-L312 HydrophobicContact CG1-CD2 4.37Å |
| 249 | G | 89.8 | Confident | 89.8 | Confident | 4 Ų | 4 | 43 Ų | 43 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L245 L251 E252 G253 F254 | L245-G249 PolarHBondContact O-N 2.88Å; G249-L251 VanDerWaalsContact C-N 3.32Å; G249-L251 PolarHBondContact O-N 3.15Å; G249-E252 PolarHBondContact O-N 3.34Å; G249-G253 WeakPolarHBondContact O-CA 3.37Å; G249-G253 PolarHBondContact O-N 3.34Å; G249-F254 CarbonylContact C-O 3.15Å; G249-F254 WeakPolarHBondContact CA-O 3.46Å; G249-F254 PolarHBondContact O-N 3.32Å |
| 250 | Q | 89.6 | Confident | 89.3 | Confident | 72 Ų | 72 | 45.7 Ų | 45.7 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.3 | -32.8 | 178.4 | -171.6 | 60.4 | 24.4 | 0 | 0 | 113.4 | K223 T226 L227 L246 L247 I248 | K223-Q250 WeakPolarHBondContact O-CG 3.43Å; T226-Q250 VanDerWaalsContact OG1-CD 3.27Å; T226-Q250 PolarHBondContact OG1-NE2 3.46Å; L227-Q250 HydrophobicContact CD1-CB 4.49Å; L246-Q250 VanDerWaalsContact O-CB 3.29Å; L246-Q250 WeakPolarHBondContact O-CB 3.35Å; L246-Q250 PolarHBondContact O-N 2.73Å; L247-Q250 PolarHBondContact O-N 2.91Å; I248-Q250 VanDerWaalsContact C-N 3.31Å; I248-Q250 PolarHBondContact O-N 3.1Å |
| 251 | L | 90.1 | Very high | 89.3 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -78.1 | -35.4 | 179.8 | -75.1 | 173.5 | 0 | 0 | 0 | 113.1 | F219 K223 L247 I248 G249 L312 H316 | F219-L251 HydrophobicContact CE1-CD1 4.3Å; F219-L251 HydrophobicContact CE1-CD2 4.34Å; F219-L251 HydrophobicContact CE2-CD2 4.34Å; F219-L251 HydrophobicContact CZ-CD1 4.2Å; F219-L251 HydrophobicContact CZ-CD2 3.6Å; K223-L251 HydrophobicContact CB-CD2 4.34Å; K223-L251 HydrophobicContact CD-CD2 3.9Å; K223-L251 HydrophobicContact CG-CD2 3.81Å; L247-L251 HydrophobicContact CD1-CD1 3.9Å; L247-L251 HydrophobicContact CD1-CG 4.09Å; L247-L251 HydrophobicContact CG-CD1 3.88Å; L247-L251 HydrophobicContact CG-CG 4.45Å; L247-L251 WeakPolarHBondContact O-CB 3.49Å; L247-L251 VanDerWaalsContact O-CG 3.24Å; L247-L251 WeakPolarHBondContact O-CG 3.32Å; L247-L251 PolarHBondContact O-N 2.91Å; I248-L251 PolarHBondContact O-N 3.49Å; I248-L251 VanDerWaalsContact O-N 3.14Å; G249-L251 VanDerWaalsContact C-N 3.32Å; G249-L251 PolarHBondContact O-N 3.15Å; L251-L312 HydrophobicContact CD1-CB 4.02Å; L251-L312 HydrophobicContact CD1-CD1 4.4Å; L251-L312 HydrophobicContact CD1-CD2 3.85Å; L251-L312 HydrophobicContact CD1-CG 4.33Å; L251-H316 HydrophobicContact CD2-CB 3.91Å; L251-H316 PolarHBondContact O-CE1 3.23Å |
| 252 | E | 89.8 | Confident | 89.3 | Confident | 53 Ų | 53 | 46 Ų | 46 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -93.8 | -7.4 | -178.7 | -66.4 | -65.3 | 159.3 | 0 | 0 | 112.9 | I248 G249 F254 I285 K315 H316 | I248-E252 PolarHBondContact O-N 3.17Å; G249-E252 PolarHBondContact O-N 3.34Å; E252-F254 HydrophobicContact CB-CD1 3.37Å; E252-F254 HydrophobicContact CB-CE1 3.26Å; E252-F254 HydrophobicContact CB-CZ 4.39Å; E252-F254 HydrophobicContact CG-CD1 4.46Å; E252-F254 HydrophobicContact CG-CE1 3.89Å; E252-I285 HydrophobicContact CG-CD1 3.85Å; E252-I285 HydrophobicContact CG-CG2 4.09Å; E252-K315 WeakPolarHBondContact OE1-CE 3.1Å; E252-K315 IonicContact OE1-NZ 2.68Å; E252-K315 PolarHBondContact OE1-NZ 3.36Å; E252-K315 IonicContact OE2-NZ 3.99Å; E252-H316 IonicContact OE1-CE1 3.19Å; E252-H316 PolarHBondContact OE1-CE1 3.41Å; E252-H316 IonicContact OE1-NE2 3.84Å; E252-H316 PolarHBondContact OE1-NE2 2.94Å; E252-H316 VanDerWaalsContact OE1-NE2 3.1Å |
| 253 | G | 88.1 | Confident | 89 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 74% | 0.742 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 26.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G249 | G249-G253 WeakPolarHBondContact O-CA 3.37Å; G249-G253 PolarHBondContact O-N 3.34Å |
| 254 | F | 88.1 | Confident | 88.8 | Confident | 78 Ų | 78 | 53.7 Ų | 53.7 | 34% | 0.342 | 28% | 0.282 | S | S | . | . | trans | -121.6 | 159.4 | 174 | 67.9 | -102.6 | 0 | 0 | 0 | 111.8 | I248 G249 E252 V256 L281 | I248-F254 HydrophobicContact CG2-CE1 4.49Å; I248-F254 HydrophobicContact CG2-CZ 3.92Å; G249-F254 CarbonylContact C-O 3.15Å; G249-F254 WeakPolarHBondContact CA-O 3.46Å; G249-F254 PolarHBondContact O-N 3.32Å; E252-F254 HydrophobicContact CB-CD1 3.37Å; E252-F254 HydrophobicContact CB-CE1 3.26Å; E252-F254 HydrophobicContact CB-CZ 4.39Å; E252-F254 HydrophobicContact CG-CD1 4.46Å; E252-F254 HydrophobicContact CG-CE1 3.89Å; F254-V256 HydrophobicContact CD2-CG2 4.34Å; F254-V256 HydrophobicContact CE2-CG2 3.78Å; F254-L281 HydrophobicContact CE2-CD1 4.39Å; F254-L281 HydrophobicContact CE2-CD2 4.39Å; F254-L281 HydrophobicContact CZ-CD1 4.44Å; F254-L281 HydrophobicContact CZ-CD2 4.21Å | ||
| 255 | F | 85.9 | Confident | 88.6 | Confident | 141 Ų | 141 | 54.8 Ų | 54.8 | 62% | 0.618 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -97.5 | 127 | 174.7 | -178 | -104.6 | 0 | 0 | 0 | 109.8 | P257 L258 | F255-P257 WeakPolarHBondContact O-CD 3.43Å; F255-L258 HydrophobicContact CE1-CG 4.34Å; F255-L258 HydrophobicContact CZ-CD1 4.47Å; F255-L258 HydrophobicContact CZ-CD2 3.94Å; F255-L258 HydrophobicContact CZ-CG 3.8Å |
| 256 | V | 86.8 | Confident | 88.4 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 6% | 0.055 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 117.4 | 168.5 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | F254 L258 F261 L281 | F254-V256 HydrophobicContact CD2-CG2 4.34Å; F254-V256 HydrophobicContact CE2-CG2 3.78Å; V256-L258 PolarHBondContact O-N 2.95Å; V256-F261 HydrophobicContact CB-CD1 4.41Å; V256-F261 HydrophobicContact CB-CE1 4.01Å; V256-F261 HydrophobicContact CG1-CD1 3.55Å; V256-F261 HydrophobicContact CG1-CE1 3.65Å; V256-L281 HydrophobicContact CG2-CD1 4.05Å |
| 257 | P | 83.6 | Confident | 88.2 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 24% | 0.24 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 134.9 | -179.9 | -22.6 | 33.6 | 0 | 0 | 0 | 112 | F255 Y259 D260 F261 | F255-P257 WeakPolarHBondContact O-CD 3.43Å; P257-Y259 HydrophobicContact CB-CD1 3.78Å; P257-Y259 HydrophobicContact CB-CE1 3.32Å; P257-Y259 HydrophobicContact CB-CE2 4.13Å; P257-Y259 HydrophobicContact CB-CG 4.35Å; P257-Y259 VanDerWaalsContact CB-CZ 3.48Å; P257-Y259 HydrophobicContact CG-CE1 4.22Å; P257-Y259 PolarHBondContact O-N 3.42Å; P257-D260 WeakPolarHBondContact CB-OD2 3.29Å; P257-D260 WeakPolarHBondContact CD-OD2 3.28Å; P257-D260 VanDerWaalsContact CG-OD2 3.25Å; P257-D260 WeakPolarHBondContact CG-OD2 3.35Å; P257-D260 WeakPolarHBondContact O-CB 3.33Å; P257-D260 PolarHBondContact O-N 2.92Å; P257-F261 WeakPolarHBondContact O-CD1 3.18Å |
| 258 | L | 82.6 | Confident | 88.1 | Confident | 92 Ų | 92 | 64.6 Ų | 64.6 | 48% | 0.482 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.2 | -176.1 | -64.8 | -175.1 | 0 | 0 | 0 | 114.5 | F255 V256 F261 I263 | F255-L258 HydrophobicContact CE1-CG 4.34Å; F255-L258 HydrophobicContact CZ-CD1 4.47Å; F255-L258 HydrophobicContact CZ-CD2 3.94Å; F255-L258 HydrophobicContact CZ-CG 3.8Å; V256-L258 PolarHBondContact O-N 2.95Å; L258-F261 HydrophobicContact CD2-CE1 4.09Å; L258-F261 HydrophobicContact CD2-CZ 3.82Å; L258-F261 VanDerWaalsContact O-O 3.11Å; L258-I263 HydrophobicContact CB-CD1 4.01Å; L258-I263 HydrophobicContact CD1-CD1 3.99Å; L258-I263 HydrophobicContact CD2-CD1 3.85Å; L258-I263 HydrophobicContact CD2-CG1 4.22Å; L258-I263 HydrophobicContact CG-CD1 4.14Å |
| 259 | Y | 82.9 | Confident | 88 | Confident | 188 Ų | 188 | 69.6 Ų | 69.6 | 74% | 0.737 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -13.1 | 175.2 | 63.2 | -102.1 | 0 | 0 | 0 | 112.7 | P257 F261 | P257-Y259 HydrophobicContact CB-CD1 3.78Å; P257-Y259 HydrophobicContact CB-CE1 3.32Å; P257-Y259 HydrophobicContact CB-CE2 4.13Å; P257-Y259 HydrophobicContact CB-CG 4.35Å; P257-Y259 VanDerWaalsContact CB-CZ 3.48Å; P257-Y259 HydrophobicContact CG-CE1 4.22Å; P257-Y259 PolarHBondContact O-N 3.42Å; Y259-F261 VanDerWaalsContact C-N 3.35Å |
| 260 | D | 82.8 | Confident | 88.2 | Confident | 69 Ų | 69 | 71.5 Ų | 71.5 | 37% | 0.369 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -85.8 | -8.7 | -178.4 | -73.4 | -34.6 | 0 | 0 | 0 | 112.7 | P257 | P257-D260 WeakPolarHBondContact CB-OD2 3.29Å; P257-D260 WeakPolarHBondContact CD-OD2 3.28Å; P257-D260 VanDerWaalsContact CG-OD2 3.25Å; P257-D260 WeakPolarHBondContact CG-OD2 3.35Å; P257-D260 WeakPolarHBondContact O-CB 3.33Å; P257-D260 PolarHBondContact O-N 2.92Å |
| 261 | F | 91.4 | Very high | 88.4 | Confident | 9 Ų | 9 | 70 Ų | 70 | 4% | 0.039 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -150.8 | 160.3 | 177.8 | 70.6 | -82 | 0 | 0 | 0 | 112.4 | V242 L245 L246 V256 P257 L258 Y259 I263 N274 | V242-F261 HydrophobicContact CG1-CE2 4.26Å; L245-F261 HydrophobicContact CD1-CB 3.42Å; L245-F261 VanDerWaalsContact CD1-CB 3.42Å; L245-F261 HydrophobicContact CD1-CD1 4.15Å; L245-F261 HydrophobicContact CD1-CD2 3.68Å; L245-F261 HydrophobicContact CD1-CE2 4.46Å; L245-F261 HydrophobicContact CD1-CG 3.49Å; L245-F261 VanDerWaalsContact CD1-CG 3.49Å; L246-F261 HydrophobicContact CD2-CZ 4.33Å; V256-F261 HydrophobicContact CB-CD1 4.41Å; V256-F261 HydrophobicContact CB-CE1 4.01Å; V256-F261 HydrophobicContact CG1-CD1 3.55Å; V256-F261 HydrophobicContact CG1-CE1 3.65Å; P257-F261 WeakPolarHBondContact O-CD1 3.18Å; L258-F261 HydrophobicContact CD2-CE1 4.09Å; L258-F261 HydrophobicContact CD2-CZ 3.82Å; L258-F261 VanDerWaalsContact O-O 3.11Å; Y259-F261 VanDerWaalsContact C-N 3.35Å; F261-I263 HydrophobicContact CE2-CG1 4.09Å; F261-I263 HydrophobicContact CZ-CG1 4.43Å; F261-I263 PolarHBondContact O-N 3.17Å; F261-N274 WeakPolarHBondContact CB-OD1 3.38Å |
| 262 | N | 91.4 | Very high | 88.6 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 25% | 0.246 | 40% | 0.396 | C | S | . | . | trans | -84.4 | 109 | 178.8 | -60.1 | -70.1 | 0 | 0 | 0 | 109.8 | V242 T264 P265 E270 N274 | V242-N262 WeakPolarHBondContact CG2-O 3.15Å; N262-T264 VanDerWaalsContact C-N 3.26Å; N262-T264 PolarHBondContact O-N 2.91Å; N262-P265 HydrophobicContact CB-CB 4.21Å; N262-P265 WeakPolarHBondContact O-CD 3.11Å; N262-E270 HydrophobicContact CB-CB 4.15Å; N262-E270 HydrophobicContact CB-CG 4.47Å; N262-N274 PolarHBondContact N-OD1 3.17Å; N262-N274 PolarHBondContact O-ND2 2.97Å | ||
| 263 | I | 88.6 | Confident | 88.7 | Confident | 87 Ų | 87 | 73.9 Ų | 73.9 | 45% | 0.446 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -64.5 | -32.9 | -179.7 | -53.9 | 173.1 | 0 | 0 | 0 | 112 | L258 F261 | L258-I263 HydrophobicContact CB-CD1 4.01Å; L258-I263 HydrophobicContact CD1-CD1 3.99Å; L258-I263 HydrophobicContact CD2-CD1 3.85Å; L258-I263 HydrophobicContact CD2-CG1 4.22Å; L258-I263 HydrophobicContact CG-CD1 4.14Å; F261-I263 HydrophobicContact CE2-CG1 4.09Å; F261-I263 HydrophobicContact CZ-CG1 4.43Å; F261-I263 PolarHBondContact O-N 3.17Å |
| 264 | T | 89.1 | Confident | 89.1 | Confident | 110 Ų | 110 | 70.4 Ų | 70.4 | 68% | 0.675 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -128.9 | 73.9 | 179.6 | 55.8 | 0 | 0 | 0 | 0 | 108.8 | N262 V266 | N262-T264 VanDerWaalsContact C-N 3.26Å; N262-T264 PolarHBondContact O-N 2.91Å; T264-V266 PolarHBondContact O-N 3.43Å |
| 265 | P | 89.3 | Confident | 89.4 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 17% | 0.169 | 36% | 0.355 | C | S | . | . | trans | -65.3 | 127.9 | -176.8 | 27.9 | -32.2 | 0 | 0 | 0 | 109.7 | D240 V242 N262 E270 M271 | D240-P265 HydrophobicContact CB-CG 3.7Å; V242-P265 HydrophobicContact CG2-CG 4.18Å; N262-P265 HydrophobicContact CB-CB 4.21Å; N262-P265 WeakPolarHBondContact O-CD 3.11Å; P265-E270 VanDerWaalsContact CA-OE2 3.26Å; P265-E270 WeakPolarHBondContact CA-OE2 3.39Å; P265-E270 HydrophobicContact CB-CB 3.72Å; P265-M271 HydrophobicContact CB-CG 3.86Å; P265-M271 HydrophobicContact CG-CG 4.07Å | ||
| 266 | V | 89.2 | Confident | 89.7 | Confident | 122 Ų | 122 | 62.3 Ų | 62.3 | 74% | 0.739 | 34% | 0.34 | S | S | * | . | trans | -104.7 | -10.1 | -175.9 | -61.8 | 0 | 0 | 0 | 0 | 113.5 | T264 E270 | T264-V266 PolarHBondContact O-N 3.43Å; V266-E270 WeakPolarHBondContact CG2-OE2 3.44Å; V266-E270 PolarHBondContact N-OE2 3.49Å | ||
| 267 | N | 89.3 | Confident | 90 | Very high | 63 Ų | 63 | 63.7 Ų | 63.7 | 34% | 0.337 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -141.3 | 161.6 | 179.8 | 60.6 | 63.1 | 0 | 0 | 0 | 111.4 | T269 E270 M271 | N267-T269 PolarHBondContact O-N 3.35Å; N267-T269 WeakPolarHBondContact OD1-CA 3.33Å; N267-T269 VanDerWaalsContact OD1-CB 3.29Å; N267-T269 WeakPolarHBondContact OD1-CB 3.18Å; N267-T269 PolarHBondContact OD1-N 2.94Å; N267-T269 VanDerWaalsContact OD1-N 3.17Å; N267-E270 VanDerWaalsContact ND2-CD 3.3Å; N267-E270 PolarHBondContact ND2-OE1 3.36Å; N267-E270 PolarHBondContact O-N 2.84Å; N267-E270 VanDerWaalsContact O-N 3.17Å; N267-E270 WeakPolarHBondContact OD1-CG 3.37Å; N267-E270 PolarHBondContact OD1-N 3.43Å; N267-M271 WeakPolarHBondContact O-CG 3.31Å; N267-M271 PolarHBondContact O-N 3.01Å; N267-M271 VanDerWaalsContact O-N 3.14Å |
| 268 | A | 88.8 | Confident | 90.5 | Very high | 64 Ų | 64 | 61.9 Ų | 61.9 | 53% | 0.529 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.6 | -28.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L272 | A268-L272 VanDerWaalsContact O-CB 3.25Å; A268-L272 WeakPolarHBondContact O-CB 3.32Å; A268-L272 PolarHBondContact O-N 3.06Å |
| 269 | T | 91.8 | Very high | 91 | Very high | 104 Ų | 104 | 57.9 Ų | 57.9 | 64% | 0.638 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.6 | -44.1 | 177 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | N267 L272 Q273 | N267-T269 PolarHBondContact O-N 3.35Å; N267-T269 WeakPolarHBondContact OD1-CA 3.33Å; N267-T269 VanDerWaalsContact OD1-CB 3.29Å; N267-T269 WeakPolarHBondContact OD1-CB 3.18Å; N267-T269 PolarHBondContact OD1-N 2.94Å; N267-T269 VanDerWaalsContact OD1-N 3.17Å; T269-L272 PolarHBondContact O-N 3.45Å; T269-Q273 WeakPolarHBondContact O-CB 3.25Å; T269-Q273 PolarHBondContact O-N 2.71Å |
| 270 | E | 92.9 | Very high | 91.3 | Very high | 45 Ų | 45 | 53 Ų | 53 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 176.7 | -73 | 169.3 | -156.2 | 0 | 0 | 111.8 | N262 P265 V266 N267 Q273 N274 | N262-E270 HydrophobicContact CB-CB 4.15Å; N262-E270 HydrophobicContact CB-CG 4.47Å; P265-E270 VanDerWaalsContact CA-OE2 3.26Å; P265-E270 WeakPolarHBondContact CA-OE2 3.39Å; P265-E270 HydrophobicContact CB-CB 3.72Å; V266-E270 WeakPolarHBondContact CG2-OE2 3.44Å; V266-E270 PolarHBondContact N-OE2 3.49Å; N267-E270 VanDerWaalsContact ND2-CD 3.3Å; N267-E270 PolarHBondContact ND2-OE1 3.36Å; N267-E270 PolarHBondContact O-N 2.84Å; N267-E270 VanDerWaalsContact O-N 3.17Å; N267-E270 WeakPolarHBondContact OD1-CG 3.37Å; N267-E270 PolarHBondContact OD1-N 3.43Å; E270-Q273 PolarHBondContact O-N 2.76Å; E270-N274 VanDerWaalsContact O-CG 3.28Å; E270-N274 PolarHBondContact O-N 2.86Å; E270-N274 PolarHBondContact O-OD1 2.87Å |
| 271 | M | 94.4 | Very high | 91.7 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 20% | 0.197 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -47 | 173.1 | -63 | 172.3 | 66.4 | 0 | 0 | 110.9 | S239 D240 P265 N267 Q273 N274 V275 V298 | S239-M271 WeakPolarHBondContact O-CE 3.24Å; D240-M271 HydrophobicContact CB-CE 4.1Å; D240-M271 HydrophobicContact CB-CG 4.2Å; P265-M271 HydrophobicContact CB-CG 3.86Å; P265-M271 HydrophobicContact CG-CG 4.07Å; N267-M271 WeakPolarHBondContact O-CG 3.31Å; N267-M271 PolarHBondContact O-N 3.01Å; N267-M271 VanDerWaalsContact O-N 3.14Å; M271-Q273 VanDerWaalsContact C-N 3.32Å; M271-Q273 PolarHBondContact O-N 3.34Å; M271-N274 PolarHBondContact O-N 3.45Å; M271-V275 WeakPolarHBondContact O-CG2 3.49Å; M271-V275 PolarHBondContact O-N 2.89Å; M271-V298 HydrophobicContact CB-CG1 4.27Å; M271-V298 HydrophobicContact CB-CG2 4.18Å; M271-V298 HydrophobicContact CE-CG1 4.24Å |
| 272 | L | 93.3 | Very high | 91.6 | Very high | 50 Ų | 50 | 51 Ų | 51 | 26% | 0.262 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 178.5 | -169.4 | 72.9 | 0 | 0 | 0 | 111.7 | A268 T269 V275 T276 P294 Q295 V298 | A268-L272 VanDerWaalsContact O-CB 3.25Å; A268-L272 WeakPolarHBondContact O-CB 3.32Å; A268-L272 PolarHBondContact O-N 3.06Å; T269-L272 PolarHBondContact O-N 3.45Å; L272-V275 PolarHBondContact O-N 3.4Å; L272-T276 WeakPolarHBondContact O-CB 3.16Å; L272-T276 PolarHBondContact O-N 3.22Å; L272-T276 PolarHBondContact O-OG1 3.23Å; L272-P294 HydrophobicContact CD1-CB 3.59Å; L272-P294 HydrophobicContact CG-CB 4.36Å; L272-Q295 HydrophobicContact CD1-CG 3.93Å; L272-V298 HydrophobicContact CB-CG2 4.32Å; L272-V298 HydrophobicContact CD1-CG2 4.04Å |
| 273 | Q | 93.3 | Very high | 91.4 | Very high | 99 Ų | 99 | 52.2 Ų | 52.2 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 175.2 | -176.3 | -178.9 | -10 | 0 | 0 | 111.1 | T269 E270 M271 V275 T276 V277 | T269-Q273 WeakPolarHBondContact O-CB 3.25Å; T269-Q273 PolarHBondContact O-N 2.71Å; E270-Q273 PolarHBondContact O-N 2.76Å; M271-Q273 VanDerWaalsContact C-N 3.32Å; M271-Q273 PolarHBondContact O-N 3.34Å; Q273-V275 VanDerWaalsContact C-N 3.35Å; Q273-V275 PolarHBondContact O-N 3.29Å; Q273-T276 PolarHBondContact O-N 2.92Å; Q273-V277 WeakPolarHBondContact O-CG2 3.45Å; Q273-V277 PolarHBondContact O-N 2.87Å |
| 274 | N | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 178.1 | -70.5 | -4.2 | 0 | 0 | 0 | 112.2 | D240 L245 F261 N262 E270 M271 T276 V277 A278 | D240-N274 WeakPolarHBondContact O-CB 3.43Å; D240-N274 PolarHBondContact O-ND2 3.38Å; L245-N274 HydrophobicContact CD1-CB 4.05Å; F261-N274 WeakPolarHBondContact CB-OD1 3.38Å; N262-N274 PolarHBondContact N-OD1 3.17Å; N262-N274 PolarHBondContact O-ND2 2.97Å; E270-N274 VanDerWaalsContact O-CG 3.28Å; E270-N274 PolarHBondContact O-N 2.86Å; E270-N274 PolarHBondContact O-OD1 2.87Å; M271-N274 PolarHBondContact O-N 3.45Å; N274-T276 VanDerWaalsContact C-N 3.34Å; N274-V277 PolarHBondContact O-N 2.91Å; N274-A278 PolarHBondContact O-N 3.44Å |
| 275 | V | 95 | Very high | 91 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 178.1 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | M271 L272 Q273 V277 A278 L279 P294 I297 V298 | M271-V275 WeakPolarHBondContact O-CG2 3.49Å; M271-V275 PolarHBondContact O-N 2.89Å; L272-V275 PolarHBondContact O-N 3.4Å; Q273-V275 VanDerWaalsContact C-N 3.35Å; Q273-V275 PolarHBondContact O-N 3.29Å; V275-V277 PolarHBondContact O-N 2.92Å; V275-A278 WeakPolarHBondContact O-CB 3.28Å; V275-A278 PolarHBondContact O-N 2.96Å; V275-A278 VanDerWaalsContact O-N 3.12Å; V275-L279 HydrophobicContact CG1-CD1 4.5Å; V275-L279 HydrophobicContact CG1-CG 4.37Å; V275-L279 WeakPolarHBondContact O-CG 3.37Å; V275-L279 PolarHBondContact O-N 3.1Å; V275-P294 HydrophobicContact CB-CB 4.37Å; V275-P294 HydrophobicContact CG1-CB 3.87Å; V275-I297 HydrophobicContact CG1-CB 3.87Å; V275-I297 HydrophobicContact CG1-CD1 3.76Å; V275-I297 HydrophobicContact CG1-CG1 4.33Å; V275-I297 HydrophobicContact CG1-CG2 4.17Å; V275-I297 HydrophobicContact CG2-CB 4.38Å; V275-I297 HydrophobicContact CG2-CG2 3.97Å; V275-V298 HydrophobicContact CB-CG2 4.37Å; V275-V298 HydrophobicContact CG2-CG2 3.91Å |
| 276 | T | 93.2 | Very high | 90.6 | Very high | 49 Ų | 49 | 52.5 Ų | 52.5 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 177 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | L272 Q273 N274 A278 L279 D280 | L272-T276 WeakPolarHBondContact O-CB 3.16Å; L272-T276 PolarHBondContact O-N 3.22Å; L272-T276 PolarHBondContact O-OG1 3.23Å; Q273-T276 PolarHBondContact O-N 2.92Å; N274-T276 VanDerWaalsContact C-N 3.34Å; T276-A278 PolarHBondContact O-N 3.38Å; T276-L279 PolarHBondContact O-N 3.29Å; T276-L279 VanDerWaalsContact O-N 3.14Å; T276-D280 PolarHBondContact O-N 2.87Å |
| 277 | V | 93.1 | Very high | 90.3 | Very high | 37 Ų | 37 | 48 Ų | 48 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | L245 Q273 N274 V275 D280 L281 | L245-V277 HydrophobicContact CD2-CB 4.15Å; L245-V277 HydrophobicContact CD2-CG1 3.74Å; Q273-V277 WeakPolarHBondContact O-CG2 3.45Å; Q273-V277 PolarHBondContact O-N 2.87Å; N274-V277 PolarHBondContact O-N 2.91Å; V275-V277 PolarHBondContact O-N 2.92Å; V277-D280 PolarHBondContact O-N 3.32Å; V277-L281 HydrophobicContact CG1-CD1 4.32Å; V277-L281 VanDerWaalsContact O-CG 3.32Å; V277-L281 WeakPolarHBondContact O-CG 3.25Å; V277-L281 PolarHBondContact O-N 2.82Å |
| 278 | A | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L244 L245 I248 N274 V275 T276 L281 L282 | L244-A278 HydrophobicContact CB-CB 4.37Å; L244-A278 HydrophobicContact CD2-CB 3.65Å; L244-A278 HydrophobicContact CG-CB 3.83Å; L245-A278 HydrophobicContact CD2-CB 3.75Å; L245-A278 HydrophobicContact CG-CB 3.97Å; I248-A278 HydrophobicContact CD1-CB 4Å; I248-A278 WeakPolarHBondContact CD1-O 3.27Å; N274-A278 PolarHBondContact O-N 3.44Å; V275-A278 WeakPolarHBondContact O-CB 3.28Å; V275-A278 PolarHBondContact O-N 2.96Å; V275-A278 VanDerWaalsContact O-N 3.12Å; T276-A278 PolarHBondContact O-N 3.38Å; A278-L281 PolarHBondContact O-N 3.19Å; A278-L282 VanDerWaalsContact O-CG 3.31Å; A278-L282 WeakPolarHBondContact O-CG 3.32Å; A278-L282 PolarHBondContact O-N 3.3Å |
| 279 | L | 91.9 | Very high | 88.8 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -38.2 | 177.5 | -63.2 | -170.7 | 0 | 0 | 0 | 111.9 | V275 T276 L282 N283 T289 I292 P294 I297 V308 | V275-L279 HydrophobicContact CG1-CD1 4.5Å; V275-L279 HydrophobicContact CG1-CG 4.37Å; V275-L279 WeakPolarHBondContact O-CG 3.37Å; V275-L279 PolarHBondContact O-N 3.1Å; T276-L279 PolarHBondContact O-N 3.29Å; T276-L279 VanDerWaalsContact O-N 3.14Å; L279-L282 HydrophobicContact CD2-CD1 3.93Å; L279-L282 WeakPolarHBondContact O-CB 3.09Å; L279-L282 PolarHBondContact O-N 2.76Å; L279-N283 PolarHBondContact O-N 2.84Å; L279-N283 PolarHBondContact O-ND2 3.25Å; L279-N283 VanDerWaalsContact O-ND2 3.16Å; L279-T289 HydrophobicContact CD2-CG2 4.06Å; L279-I292 HydrophobicContact CD1-CG2 4.31Å; L279-P294 HydrophobicContact CD1-CB 4.48Å; L279-P294 HydrophobicContact CD1-CG 3.91Å; L279-I297 HydrophobicContact CD2-CD1 4Å; L279-V308 HydrophobicContact CD2-CG2 4.17Å |
| 280 | D | 90.1 | Very high | 87.4 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 174 | -70.2 | -22.2 | 0 | 0 | 0 | 111.1 | T276 V277 L282 N283 D284 | T276-D280 PolarHBondContact O-N 2.87Å; V277-D280 PolarHBondContact O-N 3.32Å; D280-L282 VanDerWaalsContact C-N 3.3Å; D280-L282 PolarHBondContact O-N 2.75Å; D280-N283 WeakPolarHBondContact O-CB 3.18Å; D280-N283 PolarHBondContact O-N 2.59Å; D280-N283 VanDerWaalsContact O-N 3.15Å; D280-D284 PolarHBondContact O-N 2.76Å |
| 281 | L | 90.8 | Very high | 86.4 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 174.3 | -72.5 | 174.7 | 0 | 0 | 0 | 112.4 | L245 I248 F254 V256 V277 A278 N283 D284 I285 | L245-L281 HydrophobicContact CD2-CD1 3.78Å; I248-L281 HydrophobicContact CG2-CB 4.24Å; F254-L281 HydrophobicContact CE2-CD1 4.39Å; F254-L281 HydrophobicContact CE2-CD2 4.39Å; F254-L281 HydrophobicContact CZ-CD1 4.44Å; F254-L281 HydrophobicContact CZ-CD2 4.21Å; V256-L281 HydrophobicContact CG2-CD1 4.05Å; V277-L281 HydrophobicContact CG1-CD1 4.32Å; V277-L281 VanDerWaalsContact O-CG 3.32Å; V277-L281 WeakPolarHBondContact O-CG 3.25Å; V277-L281 PolarHBondContact O-N 2.82Å; A278-L281 PolarHBondContact O-N 3.19Å; L281-N283 VanDerWaalsContact C-N 3.35Å; L281-D284 PolarHBondContact O-N 3.15Å; L281-I285 WeakPolarHBondContact O-CG1 3.36Å; L281-I285 WeakPolarHBondContact O-CG2 3.37Å; L281-I285 PolarHBondContact O-N 3.48Å; L281-I285 VanDerWaalsContact O-N 3.14Å |
| 282 | L | 89.6 | Confident | 85.8 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.1 | -70.4 | 171.9 | 0 | 0 | 0 | 111.6 | I248 A278 L279 D280 I285 G286 L287 T289 V308 L312 | I248-L282 HydrophobicContact CD1-CD1 4.34Å; I248-L282 HydrophobicContact CD1-CD2 3.83Å; I248-L282 HydrophobicContact CD1-CG 3.77Å; I248-L282 HydrophobicContact CG1-CD2 3.91Å; I248-L282 HydrophobicContact CG1-CG 4.41Å; A278-L282 VanDerWaalsContact O-CG 3.31Å; A278-L282 WeakPolarHBondContact O-CG 3.32Å; A278-L282 PolarHBondContact O-N 3.3Å; L279-L282 HydrophobicContact CD2-CD1 3.93Å; L279-L282 WeakPolarHBondContact O-CB 3.09Å; L279-L282 PolarHBondContact O-N 2.76Å; D280-L282 VanDerWaalsContact C-N 3.3Å; D280-L282 PolarHBondContact O-N 2.75Å; L282-I285 HydrophobicContact CD2-CD1 4.07Å; L282-I285 VanDerWaalsContact O-CG1 3.24Å; L282-I285 WeakPolarHBondContact O-CG1 3.22Å; L282-I285 PolarHBondContact O-N 3.36Å; L282-G286 PolarHBondContact O-N 3.34Å; L282-L287 CarbonylContact C-O 3.53Å; L282-L287 HydrophobicContact CB-CB 4.42Å; L282-L287 HydrophobicContact CD2-CB 4.5Å; L282-L287 HydrophobicContact CD2-CD1 4.2Å; L282-L287 CarbonylContact O-C 3.01Å; L282-L287 WeakPolarHBondContact O-CA 3.3Å; L282-L287 WeakPolarHBondContact O-CB 3.14Å; L282-L287 PolarHBondContact O-N 3.02Å; L282-T289 HydrophobicContact CB-CG2 4.25Å; L282-T289 HydrophobicContact CD1-CG2 3.72Å; L282-V308 HydrophobicContact CD1-CG1 3.62Å; L282-L312 HydrophobicContact CD2-CD1 4.3Å; L282-L312 HydrophobicContact CD2-CD2 3.61Å; L282-L312 HydrophobicContact CD2-CG 4.01Å |
| 283 | N | 87 | Confident | 85.6 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 175.1 | -69.1 | -41.1 | 0 | 0 | 0 | 111.2 | L279 D280 L281 I285 G286 P288 | L279-N283 PolarHBondContact O-N 2.84Å; L279-N283 PolarHBondContact O-ND2 3.25Å; L279-N283 VanDerWaalsContact O-ND2 3.16Å; D280-N283 WeakPolarHBondContact O-CB 3.18Å; D280-N283 PolarHBondContact O-N 2.59Å; D280-N283 VanDerWaalsContact O-N 3.15Å; L281-N283 VanDerWaalsContact C-N 3.35Å; N283-I285 VanDerWaalsContact C-N 3.27Å; N283-I285 PolarHBondContact O-N 2.79Å; N283-G286 PolarHBondContact O-N 3.06Å; N283-P288 WeakPolarHBondContact OD1-CA 3.44Å |
| 284 | D | 85.3 | Confident | 85.4 | Confident | 134 Ų | 134 | 48.9 Ų | 48.9 | 72% | 0.717 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.4 | -33.4 | 179.9 | -75.1 | -15.7 | 0 | 0 | 0 | 112.9 | D280 L281 G286 | D280-D284 PolarHBondContact O-N 2.76Å; L281-D284 PolarHBondContact O-N 3.15Å; D284-G286 VanDerWaalsContact C-N 3.27Å; D284-G286 PolarHBondContact O-N 2.93Å |
| 285 | I | 84.1 | Confident | 85.2 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 12.4 | 177.9 | 70 | 178.4 | 0 | 0 | 0 | 113.4 | I248 E252 L281 L282 N283 L287 K315 | I248-I285 HydrophobicContact CG2-CD1 4.2Å; E252-I285 HydrophobicContact CG-CD1 3.85Å; E252-I285 HydrophobicContact CG-CG2 4.09Å; L281-I285 WeakPolarHBondContact O-CG1 3.36Å; L281-I285 WeakPolarHBondContact O-CG2 3.37Å; L281-I285 PolarHBondContact O-N 3.48Å; L281-I285 VanDerWaalsContact O-N 3.14Å; L282-I285 HydrophobicContact CD2-CD1 4.07Å; L282-I285 VanDerWaalsContact O-CG1 3.24Å; L282-I285 WeakPolarHBondContact O-CG1 3.22Å; L282-I285 PolarHBondContact O-N 3.36Å; N283-I285 VanDerWaalsContact C-N 3.27Å; N283-I285 PolarHBondContact O-N 2.79Å; I285-L287 HydrophobicContact CD1-CD1 4.09Å; I285-L287 HydrophobicContact CG1-CB 4.47Å; I285-L287 HydrophobicContact CG1-CD1 4.41Å; I285-L287 HydrophobicContact CG1-CG 4.48Å; I285-K315 PolarHBondContact O-NZ 2.84Å |
| 286 | G | 81.1 | Confident | 84.9 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 60% | 0.598 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 25.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L282 N283 D284 P288 | L282-G286 PolarHBondContact O-N 3.34Å; N283-G286 PolarHBondContact O-N 3.06Å; D284-G286 VanDerWaalsContact C-N 3.27Å; D284-G286 PolarHBondContact O-N 2.93Å; G286-P288 VanDerWaalsContact C-CD 3.43Å; G286-P288 VanDerWaalsContact O-CD 3.28Å; G286-P288 WeakPolarHBondContact O-CD 3.27Å |
| 287 | L | 83.2 | Confident | 84.8 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | trans | -110.9 | 76.7 | 170.4 | -72.2 | 174.9 | 0 | 0 | 0 | 109.8 | L282 I285 T289 A311 L312 K315 | L282-L287 CarbonylContact C-O 3.53Å; L282-L287 HydrophobicContact CB-CB 4.42Å; L282-L287 HydrophobicContact CD2-CB 4.5Å; L282-L287 HydrophobicContact CD2-CD1 4.2Å; L282-L287 CarbonylContact O-C 3.01Å; L282-L287 WeakPolarHBondContact O-CA 3.3Å; L282-L287 WeakPolarHBondContact O-CB 3.14Å; L282-L287 PolarHBondContact O-N 3.02Å; I285-L287 HydrophobicContact CD1-CD1 4.09Å; I285-L287 HydrophobicContact CG1-CB 4.47Å; I285-L287 HydrophobicContact CG1-CD1 4.41Å; I285-L287 HydrophobicContact CG1-CG 4.48Å; L287-T289 PolarHBondContact O-N 3.17Å; L287-A311 HydrophobicContact CD2-CB 4.44Å; L287-L312 HydrophobicContact CD1-CD2 3.88Å; L287-K315 HydrophobicContact CD1-CB 4.28Å; L287-K315 HydrophobicContact CD1-CD 3.53Å; L287-K315 HydrophobicContact CD2-CB 4.22Å; L287-K315 HydrophobicContact CD2-CD 3.97Å; L287-K315 HydrophobicContact CG-CD 3.74Å | ||
| 288 | P | 75 | Confident | 84.7 | Confident | 89 Ų | 89 | 52.7 Ų | 52.7 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | trans | -64 | 120.7 | -178.3 | 27.1 | -33.8 | 0 | 0 | 0 | 110.3 | N283 G286 T290 | N283-P288 WeakPolarHBondContact OD1-CA 3.44Å; G286-P288 VanDerWaalsContact C-CD 3.43Å; G286-P288 VanDerWaalsContact O-CD 3.28Å; G286-P288 WeakPolarHBondContact O-CD 3.27Å; P288-T290 VanDerWaalsContact C-N 3.26Å; P288-T290 HydrophobicContact CB-CG2 4.42Å; P288-T290 PolarHBondContact O-N 3.1Å; P288-T290 VanDerWaalsContact O-N 3.17Å | ||
| 289 | T | 69.9 | Low | 84.5 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | trans | -89.2 | 65.1 | 174.7 | 56 | 0 | 0 | 0 | 0 | 109.6 | L279 L282 L287 N291 I292 V308 | L279-T289 HydrophobicContact CD2-CG2 4.06Å; L282-T289 HydrophobicContact CB-CG2 4.25Å; L282-T289 HydrophobicContact CD1-CG2 3.72Å; L287-T289 PolarHBondContact O-N 3.17Å; T289-N291 PolarHBondContact O-N 2.89Å; T289-I292 HydrophobicContact CG2-CD1 4.24Å; T289-I292 PolarHBondContact O-N 3.43Å; T289-V308 HydrophobicContact CG2-CG2 4.23Å | ||
| 290 | T | 63.4 | Low | 84.4 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 57% | 0.571 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 131.8 | 175.3 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | P288 | P288-T290 VanDerWaalsContact C-N 3.26Å; P288-T290 HydrophobicContact CB-CG2 4.42Å; P288-T290 PolarHBondContact O-N 3.1Å; P288-T290 VanDerWaalsContact O-N 3.17Å |
| 291 | N | 70.9 | Confident | 84.2 | Confident | 114 Ų | 114 | 59.5 Ų | 59.5 | 61% | 0.61 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 26.1 | -179.5 | -53.3 | -12.3 | 0 | 0 | 0 | 116 | T289 | T289-N291 PolarHBondContact O-N 2.89Š|
| 292 | I | 83 | Confident | 83.9 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | trans | -119.9 | 116.1 | 167.6 | -63.1 | 159.1 | 0 | 0 | 0 | 108.1 | L279 T289 I297 A304 K307 V308 | L279-I292 HydrophobicContact CD1-CG2 4.31Å; T289-I292 HydrophobicContact CG2-CD1 4.24Å; T289-I292 PolarHBondContact O-N 3.43Å; I292-I297 HydrophobicContact CG2-CD1 4.04Å; I292-I297 HydrophobicContact CG2-CG1 4.23Å; I292-A304 HydrophobicContact CG2-CB 4.15Å; I292-K307 HydrophobicContact CD1-CB 3.72Å; I292-K307 HydrophobicContact CD1-CD 4.39Å; I292-K307 HydrophobicContact CG1-CB 4.48Å; I292-K307 HydrophobicContact CG1-CD 4.33Å; I292-V308 HydrophobicContact CD1-CG2 3.66Å; I292-V308 HydrophobicContact CG2-CG2 4.41Å | ||
| 293 | E | 87.9 | Confident | 83.5 | Confident | 122 Ų | 122 | 61.7 Ų | 61.7 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | trans | -88.4 | 145.7 | 171.8 | -60 | -165.6 | 165.3 | 0 | 0 | 109.9 | Q295 D296 | E293-Q295 PolarHBondContact O-N 2.96Å; E293-D296 PolarHBondContact N-OD2 3.26Å; E293-D296 WeakPolarHBondContact O-CB 3.4Å; E293-D296 PolarHBondContact O-N 3.35Å | ||
| 294 | P | 89.5 | Confident | 83.6 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -52.4 | -31.8 | 175.2 | -26.5 | 32.4 | 0 | 0 | 0 | 113.4 | L272 V275 L279 D296 I297 V298 | L272-P294 HydrophobicContact CD1-CB 3.59Å; L272-P294 HydrophobicContact CG-CB 4.36Å; V275-P294 HydrophobicContact CB-CB 4.37Å; V275-P294 HydrophobicContact CG1-CB 3.87Å; L279-P294 HydrophobicContact CD1-CB 4.48Å; L279-P294 HydrophobicContact CD1-CG 3.91Å; P294-D296 VanDerWaalsContact C-N 3.26Å; P294-D296 PolarHBondContact O-N 2.9Å; P294-I297 PolarHBondContact O-N 3.09Å; P294-V298 WeakPolarHBondContact O-CG2 3.48Å; P294-V298 PolarHBondContact O-N 3.35Å |
| 295 | Q | 90.8 | Very high | 83.7 | Confident | 91 Ų | 91 | 52.3 Ų | 52.3 | 43% | 0.425 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62 | -32 | 177.1 | -66.1 | 81.1 | -6.2 | 0 | 0 | 112.5 | L272 E293 V298 S299 | L272-Q295 HydrophobicContact CD1-CG 3.93Å; E293-Q295 PolarHBondContact O-N 2.96Å; Q295-V298 PolarHBondContact O-N 2.95Å; Q295-S299 VanDerWaalsContact O-CB 3.24Å; Q295-S299 WeakPolarHBondContact O-CB 3.23Å; Q295-S299 PolarHBondContact O-N 3.37Å; Q295-S299 PolarHBondContact O-OG 3.25Å |
| 296 | D | 89.3 | Confident | 83.8 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.6 | -40.1 | -178.4 | -57.8 | -35.6 | 0 | 0 | 0 | 110.6 | E293 P294 S299 Q300 D301 A304 | E293-D296 PolarHBondContact N-OD2 3.26Å; E293-D296 WeakPolarHBondContact O-CB 3.4Å; E293-D296 PolarHBondContact O-N 3.35Å; P294-D296 VanDerWaalsContact C-N 3.26Å; P294-D296 PolarHBondContact O-N 2.9Å; D296-S299 WeakPolarHBondContact CA-OG 3.35Å; D296-S299 PolarHBondContact O-OG 3.21Å; D296-S299 VanDerWaalsContact O-OG 3.11Å; D296-Q300 PolarHBondContact O-N 3.38Å; D296-D301 HydrophobicContact CB-CB 4.15Å; D296-D301 WeakPolarHBondContact O-CB 3.49Å; D296-D301 PolarHBondContact O-N 3.01Å; D296-A304 HydrophobicContact CB-CB 3.54Å |
| 297 | I | 90.6 | Very high | 84 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.3 | -42.8 | 177.7 | -61 | 171.1 | 0 | 0 | 0 | 110.7 | S239 L244 V275 L279 I292 P294 S299 Q300 A304 V308 | S239-I297 WeakPolarHBondContact CA-O 3.49Å; S239-I297 WeakPolarHBondContact CB-O 3.12Å; L244-I297 HydrophobicContact CD2-CD1 4.43Å; V275-I297 HydrophobicContact CG1-CB 3.87Å; V275-I297 HydrophobicContact CG1-CD1 3.76Å; V275-I297 HydrophobicContact CG1-CG1 4.33Å; V275-I297 HydrophobicContact CG1-CG2 4.17Å; V275-I297 HydrophobicContact CG2-CB 4.38Å; V275-I297 HydrophobicContact CG2-CG2 3.97Å; L279-I297 HydrophobicContact CD2-CD1 4Å; I292-I297 HydrophobicContact CG2-CD1 4.04Å; I292-I297 HydrophobicContact CG2-CG1 4.23Å; P294-I297 PolarHBondContact O-N 3.09Å; I297-S299 VanDerWaalsContact C-N 3.27Å; I297-S299 PolarHBondContact O-N 2.99Å; I297-Q300 PolarHBondContact O-N 3.22Å; I297-Q300 VanDerWaalsContact O-N 3.1Å; I297-A304 HydrophobicContact CG1-CB 4.37Å; I297-V308 HydrophobicContact CD1-CG2 3.97Å |
| 298 | V | 91.7 | Very high | 84.3 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 17% | 0.17 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -36 | 177.4 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | M271 L272 V275 P294 Q295 Q300 | M271-V298 HydrophobicContact CB-CG1 4.27Å; M271-V298 HydrophobicContact CB-CG2 4.18Å; M271-V298 HydrophobicContact CE-CG1 4.24Å; L272-V298 HydrophobicContact CB-CG2 4.32Å; L272-V298 HydrophobicContact CD1-CG2 4.04Å; V275-V298 HydrophobicContact CB-CG2 4.37Å; V275-V298 HydrophobicContact CG2-CG2 3.91Å; P294-V298 WeakPolarHBondContact O-CG2 3.48Å; P294-V298 PolarHBondContact O-N 3.35Å; Q295-V298 PolarHBondContact O-N 2.95Å; V298-Q300 PolarHBondContact O-N 3.03Å |
| 299 | S | 89.9 | Confident | 85 | Confident | 83 Ų | 83 | 43.5 Ų | 43.5 | 58% | 0.58 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | 6.8 | 177.5 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | Q295 D296 I297 D301 | Q295-S299 VanDerWaalsContact O-CB 3.24Å; Q295-S299 WeakPolarHBondContact O-CB 3.23Å; Q295-S299 PolarHBondContact O-N 3.37Å; Q295-S299 PolarHBondContact O-OG 3.25Å; D296-S299 WeakPolarHBondContact CA-OG 3.35Å; D296-S299 PolarHBondContact O-OG 3.21Å; D296-S299 VanDerWaalsContact O-OG 3.11Å; I297-S299 VanDerWaalsContact C-N 3.27Å; I297-S299 PolarHBondContact O-N 2.99Å; S299-D301 VanDerWaalsContact C-N 3.33Å |
| 300 | Q | 89.3 | Confident | 85.8 | Confident | 90 Ų | 90 | 45.8 Ų | 45.8 | 42% | 0.421 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 34 | 178.7 | -57.6 | 173.8 | 1.8 | 0 | 0 | 113.2 | E235 D296 I297 V298 V302 | E235-Q300 WeakPolarHBondContact O-CB 3.32Å; D296-Q300 PolarHBondContact O-N 3.38Å; I297-Q300 PolarHBondContact O-N 3.22Å; I297-Q300 VanDerWaalsContact O-N 3.1Å; V298-Q300 PolarHBondContact O-N 3.03Å; Q300-V302 PolarHBondContact O-N 2.93Å |
| 301 | D | 86.7 | Confident | 86.9 | Confident | 62 Ų | 62 | 42.9 Ų | 42.9 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | trans | -64.4 | 109.5 | 167.5 | -173.2 | -12.8 | 0 | 0 | 0 | 109.3 | D296 S299 T303 A304 T305 | D296-D301 HydrophobicContact CB-CB 4.15Å; D296-D301 WeakPolarHBondContact O-CB 3.49Å; D296-D301 PolarHBondContact O-N 3.01Å; S299-D301 VanDerWaalsContact C-N 3.33Å; D301-T303 PolarHBondContact O-N 3.35Å; D301-T303 WeakPolarHBondContact OD1-CA 3.47Å; D301-T303 WeakPolarHBondContact OD1-CB 3.44Å; D301-T303 PolarHBondContact OD1-N 3.43Å; D301-A304 HydrophobicContact CB-CB 3.95Å; D301-A304 PolarHBondContact O-N 3.01Å; D301-A304 PolarHBondContact OD1-N 2.96Å; D301-T305 WeakPolarHBondContact O-CB 3.4Å; D301-T305 PolarHBondContact O-N 2.72Å; D301-T305 PolarHBondContact O-OG1 2.81Å | ||
| 302 | V | 83.2 | Confident | 87.7 | Confident | 42 Ų | 42 | 37.5 Ų | 37.5 | 26% | 0.255 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59 | -36 | 178.7 | 180 | 0 | 0 | 0 | 0 | 110.9 | E235 Q300 L306 | E235-V302 HydrophobicContact CB-CG2 4.23Å; E235-V302 HydrophobicContact CG-CG1 4.29Å; E235-V302 HydrophobicContact CG-CG2 3.85Å; Q300-V302 PolarHBondContact O-N 2.93Å; V302-L306 WeakPolarHBondContact O-CB 3.45Å; V302-L306 PolarHBondContact O-N 2.63Å |
| 303 | T | 82.8 | Confident | 87.9 | Confident | 41 Ų | 41 | 38.1 Ų | 38.1 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.1 | -51 | 179.8 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | I198 L202 D301 T305 L306 K307 | I198-T303 HydrophobicContact CG2-CG2 4.41Å; L202-T303 HydrophobicContact CD1-CG2 3.43Å; L202-T303 VanDerWaalsContact CD1-CG2 3.43Å; L202-T303 WeakPolarHBondContact CD1-OG1 3.35Å; D301-T303 PolarHBondContact O-N 3.35Å; D301-T303 WeakPolarHBondContact OD1-CA 3.47Å; D301-T303 WeakPolarHBondContact OD1-CB 3.44Å; D301-T303 PolarHBondContact OD1-N 3.43Å; T303-T305 PolarHBondContact O-N 2.75Å; T303-L306 PolarHBondContact O-N 3.25Å; T303-K307 HydrophobicContact CG2-CD 4.19Å; T303-K307 VanDerWaalsContact O-CG 3.3Å; T303-K307 WeakPolarHBondContact O-CG 3.4Å; T303-K307 PolarHBondContact O-N 3.13Å |
| 304 | A | 87.3 | Confident | 87.7 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I292 D296 I297 D301 L306 K307 V308 | I292-A304 HydrophobicContact CG2-CB 4.15Å; D296-A304 HydrophobicContact CB-CB 3.54Å; I297-A304 HydrophobicContact CG1-CB 4.37Å; D301-A304 HydrophobicContact CB-CB 3.95Å; D301-A304 PolarHBondContact O-N 3.01Å; D301-A304 PolarHBondContact OD1-N 2.96Å; A304-L306 VanDerWaalsContact C-N 3.35Å; A304-L306 PolarHBondContact O-N 2.84Å; A304-K307 WeakPolarHBondContact O-CB 3.49Å; A304-K307 PolarHBondContact O-N 2.92Å; A304-V308 PolarHBondContact O-N 3.5Å |
| 305 | T | 89 | Confident | 87.5 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.7 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | M234 F238 D301 T303 V308 L309 | M234-T305 HydrophobicContact CG-CG2 4.41Å; F238-T305 HydrophobicContact CB-CG2 3.93Å; F238-T305 HydrophobicContact CD2-CG2 4.22Å; F238-T305 HydrophobicContact CG-CG2 4.21Å; D301-T305 WeakPolarHBondContact O-CB 3.4Å; D301-T305 PolarHBondContact O-N 2.72Å; D301-T305 PolarHBondContact O-OG1 2.81Å; T303-T305 PolarHBondContact O-N 2.75Å; T305-V308 PolarHBondContact O-N 2.78Å; T305-L309 HydrophobicContact CG2-CD1 3.96Å; T305-L309 HydrophobicContact CG2-CG 4.48Å; T305-L309 VanDerWaalsContact O-CG 3.3Å; T305-L309 WeakPolarHBondContact O-CG 3.23Å; T305-L309 PolarHBondContact O-N 3.27Å; T305-L309 VanDerWaalsContact O-N 3.08Å |
| 306 | L | 86.3 | Confident | 87.2 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -38 | 179.7 | -170.6 | 66.1 | 0 | 0 | 0 | 112.3 | I198 L201 K213 I216 M234 V302 T303 A304 L309 Y310 | I198-L306 HydrophobicContact CD1-CD2 4.39Å; I198-L306 HydrophobicContact CD1-CG 4.2Å; I198-L306 HydrophobicContact CG2-CD2 4.12Å; I198-L306 HydrophobicContact CG2-CG 4.41Å; L201-L306 HydrophobicContact CD2-CD2 4.39Å; K213-L306 HydrophobicContact CG-CD1 4.25Å; I216-L306 HydrophobicContact CD1-CD1 3.54Å; M234-L306 HydrophobicContact SD-CD1 4.23Å; V302-L306 WeakPolarHBondContact O-CB 3.45Å; V302-L306 PolarHBondContact O-N 2.63Å; T303-L306 PolarHBondContact O-N 3.25Å; A304-L306 VanDerWaalsContact C-N 3.35Å; A304-L306 PolarHBondContact O-N 2.84Å; L306-L309 PolarHBondContact O-N 3.33Å; L306-Y310 WeakPolarHBondContact O-CB 3.24Å; L306-Y310 PolarHBondContact O-N 2.73Å |
| 307 | K | 85.3 | Confident | 86.4 | Confident | 19 Ų | 19 | 41.7 Ų | 41.7 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.3 | -50.6 | 173.9 | -76.5 | 173.4 | 175.7 | -150.1 | 0 | 111.7 | D196 I198 E199 I292 T303 A304 Y310 A311 | D196-K307 WeakPolarHBondContact OD2-CD 3.34Å; D196-K307 WeakPolarHBondContact OD2-CE 3.29Å; D196-K307 WeakPolarHBondContact OD2-CG 3.28Å; D196-K307 IonicContact OD2-NZ 3.1Å; D196-K307 PolarHBondContact OD2-NZ 3.03Å; I198-K307 HydrophobicContact CB-CG 3.59Å; I198-K307 HydrophobicContact CG1-CB 4.35Å; I198-K307 HydrophobicContact CG1-CG 3.76Å; I198-K307 HydrophobicContact CG2-CG 3.78Å; E199-K307 IonicContact OE1-NZ 2.86Å; E199-K307 PolarHBondContact OE1-NZ 2.81Å; I292-K307 HydrophobicContact CD1-CB 3.72Å; I292-K307 HydrophobicContact CD1-CD 4.39Å; I292-K307 HydrophobicContact CG1-CB 4.48Å; I292-K307 HydrophobicContact CG1-CD 4.33Å; T303-K307 HydrophobicContact CG2-CD 4.19Å; T303-K307 VanDerWaalsContact O-CG 3.3Å; T303-K307 WeakPolarHBondContact O-CG 3.4Å; T303-K307 PolarHBondContact O-N 3.13Å; A304-K307 WeakPolarHBondContact O-CB 3.49Å; A304-K307 PolarHBondContact O-N 2.92Å; K307-Y310 PolarHBondContact O-N 2.91Å; K307-A311 WeakPolarHBondContact O-CB 3.41Å; K307-A311 PolarHBondContact O-N 2.75Å |
| 308 | V | 89 | Confident | 84.8 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -50.3 | 177.7 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | L244 L279 L282 T289 I292 I297 A304 T305 Y310 A311 L312 | L244-V308 HydrophobicContact CD1-CG1 3.69Å; L244-V308 HydrophobicContact CD2-CG1 4.11Å; L279-V308 HydrophobicContact CD2-CG2 4.17Å; L282-V308 HydrophobicContact CD1-CG1 3.62Å; T289-V308 HydrophobicContact CG2-CG2 4.23Å; I292-V308 HydrophobicContact CD1-CG2 3.66Å; I292-V308 HydrophobicContact CG2-CG2 4.41Å; I297-V308 HydrophobicContact CD1-CG2 3.97Å; A304-V308 PolarHBondContact O-N 3.5Å; T305-V308 PolarHBondContact O-N 2.78Å; V308-Y310 VanDerWaalsContact C-N 3.32Å; V308-Y310 PolarHBondContact O-N 2.96Å; V308-A311 WeakPolarHBondContact O-CB 3.37Å; V308-A311 PolarHBondContact O-N 2.67Å; V308-L312 HydrophobicContact CG1-CD1 4.37Å; V308-L312 PolarHBondContact O-N 2.81Å; V308-L312 VanDerWaalsContact O-N 3.13Å |
| 309 | L | 89.6 | Confident | 82.9 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -32.7 | -176.6 | -64.2 | 176.7 | 0 | 0 | 0 | 112.8 | I216 V220 M234 F238 L244 L247 T305 L306 F313 | I216-L309 HydrophobicContact CG2-CB 3.7Å; I216-L309 HydrophobicContact CG2-CD1 4.41Å; V220-L309 HydrophobicContact CG2-CD2 4.4Å; M234-L309 HydrophobicContact CE-CD1 4Å; M234-L309 HydrophobicContact CG-CD1 3.55Å; M234-L309 HydrophobicContact SD-CD1 3.69Å; F238-L309 HydrophobicContact CD1-CD2 4.07Å; F238-L309 HydrophobicContact CD2-CD1 3.97Å; F238-L309 HydrophobicContact CE1-CD1 4.26Å; F238-L309 HydrophobicContact CE1-CD2 3.5Å; F238-L309 VanDerWaalsContact CE1-CD2 3.5Å; F238-L309 HydrophobicContact CE1-CG 4.45Å; F238-L309 HydrophobicContact CE2-CD1 3.58Å; F238-L309 HydrophobicContact CE2-CD2 4.32Å; F238-L309 HydrophobicContact CG-CD1 4.44Å; F238-L309 HydrophobicContact CZ-CD1 3.72Å; F238-L309 HydrophobicContact CZ-CD2 3.62Å; F238-L309 HydrophobicContact CZ-CG 4.32Å; L244-L309 HydrophobicContact CD1-CD2 4.3Å; L247-L309 HydrophobicContact CD2-CD2 3.82Å; T305-L309 HydrophobicContact CG2-CD1 3.96Å; T305-L309 HydrophobicContact CG2-CG 4.48Å; T305-L309 VanDerWaalsContact O-CG 3.3Å; T305-L309 WeakPolarHBondContact O-CG 3.23Å; T305-L309 PolarHBondContact O-N 3.27Å; T305-L309 VanDerWaalsContact O-N 3.08Å; L306-L309 PolarHBondContact O-N 3.33Å; L309-F313 VanDerWaalsContact O-CB 3.32Å; L309-F313 WeakPolarHBondContact O-CB 3.34Å; L309-F313 PolarHBondContact O-N 2.89Å |
| 310 | Y | 86.4 | Confident | 82.5 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 174.7 | -179.3 | -105.1 | 0 | 0 | 0 | 112 | P197 I198 I216 L306 K307 V308 L312 F313 K314 | P197-Y310 HydrophobicContact CB-CE1 4.28Å; I198-Y310 HydrophobicContact CD1-CD1 3.76Å; I198-Y310 HydrophobicContact CD1-CD2 4.27Å; I198-Y310 HydrophobicContact CD1-CE1 4.46Å; I198-Y310 HydrophobicContact CD1-CG 3.65Å; I198-Y310 HydrophobicContact CG1-CD1 4.19Å; I198-Y310 HydrophobicContact CG1-CG 4.4Å; I216-Y310 HydrophobicContact CD1-CD2 4.1Å; L306-Y310 WeakPolarHBondContact O-CB 3.24Å; L306-Y310 PolarHBondContact O-N 2.73Å; K307-Y310 PolarHBondContact O-N 2.91Å; V308-Y310 VanDerWaalsContact C-N 3.32Å; V308-Y310 PolarHBondContact O-N 2.96Å; Y310-L312 VanDerWaalsContact C-N 3.34Å; Y310-L312 PolarHBondContact O-N 2.94Å; Y310-F313 HydrophobicContact CD2-CD1 4.28Å; Y310-F313 HydrophobicContact CE2-CD1 4.35Å; Y310-F313 PolarHBondContact O-N 3.03Å; Y310-K314 HydrophobicContact CE1-CD 4.39Å; Y310-K314 WeakPolarHBondContact O-CB 3.34Å; Y310-K314 PolarHBondContact O-N 3.09Å |
| 311 | A | 85.9 | Confident | 82.1 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L287 K307 V308 K314 K315 | L287-A311 HydrophobicContact CD2-CB 4.44Å; K307-A311 WeakPolarHBondContact O-CB 3.41Å; K307-A311 PolarHBondContact O-N 2.75Å; V308-A311 WeakPolarHBondContact O-CB 3.37Å; V308-A311 PolarHBondContact O-N 2.67Å; A311-K314 PolarHBondContact O-N 2.92Å; A311-K315 PolarHBondContact O-N 2.83Å |
| 312 | L | 88.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 173.4 | -73.1 | 171.1 | 0 | 0 | 0 | 112.3 | L244 L247 I248 L251 L282 L287 V308 Y310 K314 K315 H316 | L244-L312 HydrophobicContact CD1-CD1 4.04Å; L247-L312 HydrophobicContact CD2-CD1 4.03Å; L247-L312 HydrophobicContact CG-CD1 4.46Å; I248-L312 HydrophobicContact CG1-CD1 4.23Å; I248-L312 HydrophobicContact CG1-CD2 4.37Å; L251-L312 HydrophobicContact CD1-CB 4.02Å; L251-L312 HydrophobicContact CD1-CD1 4.4Å; L251-L312 HydrophobicContact CD1-CD2 3.85Å; L251-L312 HydrophobicContact CD1-CG 4.33Å; L282-L312 HydrophobicContact CD2-CD1 4.3Å; L282-L312 HydrophobicContact CD2-CD2 3.61Å; L282-L312 HydrophobicContact CD2-CG 4.01Å; L287-L312 HydrophobicContact CD1-CD2 3.88Å; V308-L312 HydrophobicContact CG1-CD1 4.37Å; V308-L312 PolarHBondContact O-N 2.81Å; V308-L312 VanDerWaalsContact O-N 3.13Å; Y310-L312 VanDerWaalsContact C-N 3.34Å; Y310-L312 PolarHBondContact O-N 2.94Å; L312-K314 PolarHBondContact O-N 3.28Å; L312-K315 PolarHBondContact O-N 3.09Å; L312-H316 PolarHBondContact O-CD2 3.45Å; L312-H316 VanDerWaalsContact O-CD2 3.26Å; L312-H316 PolarHBondContact O-N 2.94Å; L312-H316 VanDerWaalsContact O-N 3.1Å |
| 313 | F | 87.4 | Confident | 81.8 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.6 | -48.4 | 176.2 | 173.4 | -101.5 | 0 | 0 | 0 | 111.5 | I216 F219 L309 Y310 K315 H316 K317 | I216-F313 HydrophobicContact CG1-CB 4.39Å; I216-F313 HydrophobicContact CG1-CG 4.35Å; F219-F313 HydrophobicContact CB-CD2 3.62Å; F219-F313 HydrophobicContact CB-CE2 3.92Å; F219-F313 HydrophobicContact CD1-CB 4.22Å; F219-F313 AromaticContact CD1-CD2 3.9Å; F219-F313 HydrophobicContact CD1-CD2 3.9Å; F219-F313 AromaticContact CD2-CD2 3.85Å; F219-F313 HydrophobicContact CD2-CD2 3.85Å; F219-F313 HydrophobicContact CD2-CE2 4.31Å; F219-F313 HydrophobicContact CE1-CB 4.31Å; F219-F313 HydrophobicContact CE2-CD2 4.46Å; F219-F313 AromaticContact CG-CD2 3.52Å; F219-F313 HydrophobicContact CG-CD2 3.52Å; F219-F313 HydrophobicContact CG-CE2 4.18Å; L309-F313 VanDerWaalsContact O-CB 3.32Å; L309-F313 WeakPolarHBondContact O-CB 3.34Å; L309-F313 PolarHBondContact O-N 2.89Å; Y310-F313 HydrophobicContact CD2-CD1 4.28Å; Y310-F313 HydrophobicContact CE2-CD1 4.35Å; Y310-F313 PolarHBondContact O-N 3.03Å; F313-K315 PolarHBondContact O-N 2.99Å; F313-H316 CarbonylContact O-C 3.56Å; F313-H316 PolarHBondContact O-N 2.99Å; F313-K317 HydrophobicContact CE1-CD 3.79Å; F313-K317 HydrophobicContact CE1-CG 4.3Å; F313-K317 HydrophobicContact CE2-CG 4.24Å; F313-K317 HydrophobicContact CZ-CD 3.7Å; F313-K317 HydrophobicContact CZ-CG 3.89Å; F313-K317 WeakPolarHBondContact O-CA 2.93Å; F313-K317 VanDerWaalsContact O-CB 3.28Å; F313-K317 WeakPolarHBondContact O-CB 3.39Å; F313-K317 PolarHBondContact O-N 3.12Å |
| 314 | K | 84.2 | Confident | 81.8 | Confident | 137 Ų | 137 | 53.7 Ų | 53.7 | 60% | 0.596 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.6 | -44.1 | -177.7 | -174.3 | 179.8 | 176.8 | -176.2 | 0 | 111.7 | Y310 A311 L312 H316 | Y310-K314 HydrophobicContact CE1-CD 4.39Å; Y310-K314 WeakPolarHBondContact O-CB 3.34Å; Y310-K314 PolarHBondContact O-N 3.09Å; A311-K314 PolarHBondContact O-N 2.92Å; L312-K314 PolarHBondContact O-N 3.28Å; K314-H316 VanDerWaalsContact C-N 3.34Å; K314-H316 PolarHBondContact O-N 2.98Å |
| 315 | K | 84.9 | Confident | 81.4 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 178.2 | -176.3 | 178.8 | 179.2 | -169.8 | 0 | 112.6 | E252 I285 L287 A311 L312 F313 | E252-K315 WeakPolarHBondContact OE1-CE 3.1Å; E252-K315 IonicContact OE1-NZ 2.68Å; E252-K315 PolarHBondContact OE1-NZ 3.36Å; E252-K315 IonicContact OE2-NZ 3.99Å; I285-K315 PolarHBondContact O-NZ 2.84Å; L287-K315 HydrophobicContact CD1-CB 4.28Å; L287-K315 HydrophobicContact CD1-CD 3.53Å; L287-K315 HydrophobicContact CD2-CB 4.22Å; L287-K315 HydrophobicContact CD2-CD 3.97Å; L287-K315 HydrophobicContact CG-CD 3.74Å; A311-K315 PolarHBondContact O-N 2.83Å; L312-K315 PolarHBondContact O-N 3.09Å; F313-K315 PolarHBondContact O-N 2.99Å |
| 316 | H | 83.1 | Confident | 80.9 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -110.7 | 7.7 | -171.1 | -63.2 | -91.6 | 0 | 0 | 0 | 114.8 | F219 L251 E252 L312 F313 K314 S318 R319 | F219-H316 HydrophobicContact CE2-CB 4.16Å; F219-H316 HydrophobicContact CZ-CB 3.89Å; L251-H316 HydrophobicContact CD2-CB 3.91Å; L251-H316 PolarHBondContact O-CE1 3.23Å; E252-H316 IonicContact OE1-CE1 3.19Å; E252-H316 PolarHBondContact OE1-CE1 3.41Å; E252-H316 IonicContact OE1-NE2 3.84Å; E252-H316 PolarHBondContact OE1-NE2 2.94Å; E252-H316 VanDerWaalsContact OE1-NE2 3.1Å; L312-H316 PolarHBondContact O-CD2 3.45Å; L312-H316 VanDerWaalsContact O-CD2 3.26Å; L312-H316 PolarHBondContact O-N 2.94Å; L312-H316 VanDerWaalsContact O-N 3.1Å; F313-H316 CarbonylContact O-C 3.56Å; F313-H316 PolarHBondContact O-N 2.99Å; K314-H316 VanDerWaalsContact C-N 3.34Å; K314-H316 PolarHBondContact O-N 2.98Å; H316-S318 PolarHBondContact O-N 3.49Å; H316-R319 PolarHBondContact O-N 3.44Å |
| 317 | K | 72.7 | Confident | 80.4 | Confident | 144 Ų | 144 | 65.2 Ų | 65.2 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.6 | -179.9 | -168.7 | -179.9 | 176.7 | -172.1 | 0 | 112.8 | F313 | F313-K317 HydrophobicContact CE1-CD 3.79Å; F313-K317 HydrophobicContact CE1-CG 4.3Å; F313-K317 HydrophobicContact CE2-CG 4.24Å; F313-K317 HydrophobicContact CZ-CD 3.7Å; F313-K317 HydrophobicContact CZ-CG 3.89Å; F313-K317 WeakPolarHBondContact O-CA 2.93Å; F313-K317 VanDerWaalsContact O-CB 3.28Å; F313-K317 WeakPolarHBondContact O-CB 3.39Å; F313-K317 PolarHBondContact O-N 3.12Å |
| 318 | S | 57 | Low | 80 | Confident | 122 Ų | 122 | 69.1 Ų | 69.1 | 85% | 0.853 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 3.4 | -175.5 | -41.7 | 0 | 0 | 0 | 0 | 114.1 | H316 | H316-S318 PolarHBondContact O-N 3.49Š|
| 319 | R | 51.5 | Low | 79.2 | Confident | 210 Ų | 210 | 75.1 Ų | 75.1 | 79% | 0.792 | 35% | 0.354 | S | S | * | . | trans | -115.6 | 0 | 179.3 | -73.8 | -175.2 | 176.7 | -178.3 | 1.1 | 111.4 | K223 H316 | K223-R319 PolarHBondContact NZ-OXT 3.27Å; H316-R319 PolarHBondContact O-N 3.44Å |
Retrieved 319 of 319 residues in 2374.3 ms
(Link to these results)