| 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 | 39.8 | Very low | 38.2 | Very low | 233 Ų | 233 | 173 Ų | 173 | 100% | 1.148 | 89% | 0.889 | S | S | * | * | 0 | 115.7 | 0 | -90.1 | 168.8 | 168.4 | 0 | 0 | 106.2 | |||||
| 2 | E | 40.3 | Very low | 37.6 | Very low | 186 Ų | 186 | 164.8 Ų | 164.8 | 87% | 0.869 | 88% | 0.879 | S | S | * | * | trans | 63.6 | 95.6 | 158.2 | -61.9 | 169.7 | 162.2 | 0 | 0 | 115.6 | ||||
| 3 | E | 37.9 | Very low | 37.5 | Very low | 205 Ų | 205 | 158.2 Ų | 158.2 | 96% | 0.958 | 86% | 0.862 | S | S | * | * | 54.1 | 126.5 | 67.2 | -76.2 | -157.3 | 166.3 | 0 | 0 | 116.1 | |||||
| 4 | G | 40.8 | Very low | 37.3 | Very low | 85 Ų | 85 | 159.5 Ų | 159.5 | 88% | 0.876 | 87% | 0.867 | S | S | * | * | trans | 119.7 | 111.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 5 | G | 36.3 | Very low | 37.2 | Very low | 73 Ų | 73 | 158.3 Ų | 158.3 | 75% | 0.753 | 86% | 0.86 | S | S | * | * | cis | 144.9 | 112.4 | 14.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | F7 | G5-F7 PolarHBondContact O-N 3.33Š| ||
| 6 | D | 38.2 | Very low | 37.6 | Very low | 173 Ų | 173 | 158.7 Ų | 158.7 | 93% | 0.925 | 85% | 0.854 | S | S | * | * | trans | -55.4 | 115.8 | 172.5 | -99.3 | -30.6 | 0 | 0 | 0 | 110.4 | ||||
| 7 | F | 40.2 | Very low | 38.6 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 83% | 0.829 | 84% | 0.841 | S | S | * | * | trans | -156.2 | 101.9 | 163.4 | -144.9 | -97.4 | 0 | 0 | 0 | 108.3 | G5 | G5-F7 PolarHBondContact O-N 3.33Š| ||
| 8 | D | 43.6 | Very low | 40.1 | Very low | 150 Ų | 150 | 157 Ų | 157 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | trans | 172.4 | 77.5 | 133.7 | -82.5 | -25.8 | 0 | 0 | 0 | 109.8 | ||||
| 9 | N | 34.2 | Very low | 41.9 | Very low | 158 Ų | 158 | 150.8 Ų | 150.8 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -71.7 | 144.7 | 158.2 | -110 | -36.5 | 0 | 0 | 0 | 109 | ||||
| 10 | Y | 36 | Very low | 43.8 | Very low | 208 Ų | 208 | 151.7 Ų | 151.7 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | 83 | 53.7 | 140.9 | -145.3 | -94.5 | 0 | 0 | 0 | 119 | ||||
| 11 | Y | 33.6 | Very low | 45.4 | Very low | 243 Ų | 243 | 150.1 Ų | 150.1 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -147.1 | 93.7 | 152.6 | -86.3 | -80.2 | 0 | 0 | 0 | 109.3 | ||||
| 12 | G | 31 | Very low | 47.2 | Very low | 75 Ų | 75 | 143.3 Ų | 143.3 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -158.1 | 94.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 13 | A | 35.4 | Very low | 48.7 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | trans | 63.1 | 92.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118 | N15 | A13-N15 PolarHBondContact O-N 3.16Š| ||
| 14 | D | 34.5 | Very low | 50.5 | Low | 176 Ų | 176 | 131.7 Ų | 131.7 | 94% | 0.941 | 71% | 0.713 | S | S | * | * | trans | -60.7 | 82.6 | 137 | -91.2 | -27 | 0 | 0 | 0 | 107.4 | Q16 | D14-Q16 PolarHBondContact O-N 3.41Š| ||
| 15 | N | 36.2 | Very low | 52.4 | Low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -69.1 | 87.5 | 158.2 | -90.4 | -8 | 0 | 0 | 0 | 105.8 | A13 S17 | A13-N15 PolarHBondContact O-N 3.16Å; N15-S17 PolarHBondContact O-N 3.33Å | ||
| 16 | Q | 44.1 | Very low | 54.4 | Low | 165 Ų | 165 | 132.5 Ų | 132.5 | 77% | 0.771 | 67% | 0.674 | S | S | * | * | trans | -60.8 | 91.8 | 160.3 | -152.8 | 163.1 | 22.4 | 0 | 0 | 105.4 | D14 E18 | D14-Q16 PolarHBondContact O-N 3.41Å; Q16-E18 PolarHBondContact O-N 2.89Å | ||
| 17 | S | 53.4 | Low | 56.4 | Low | 91 Ų | 91 | 126.4 Ų | 126.4 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | trans | -54.7 | 113.6 | -177.9 | 50.3 | 0 | 0 | 0 | 0 | 107.8 | N15 C19 | N15-S17 PolarHBondContact O-N 3.33Å; S17-C19 PolarHBondContact O-N 3.47Å | ||
| 18 | E | 66 | Low | 58.7 | Low | 196 Ų | 196 | 119.1 Ų | 119.1 | 92% | 0.916 | 62% | 0.623 | S | S | * | * | trans | -49.7 | 118.8 | 169.6 | -80.7 | -179.2 | 143.9 | 0 | 0 | 107.6 | Q16 E20 | Q16-E18 PolarHBondContact O-N 2.89Å; E18-E20 PolarHBondContact O-N 3.09Å | ||
| 19 | C | 75.3 | Confident | 61.1 | Low | 39 Ų | 39 | 115 Ų | 115 | 26% | 0.264 | 61% | 0.61 | S | S | . | * | trans | -61.2 | 131.1 | 177.3 | -48.3 | 0 | 0 | 0 | 0 | 108.4 | S17 Y21 C281 | S17-C19 PolarHBondContact O-N 3.47Å; C19-Y21 HydrophobicContact CB-CD2 4.14Å; C19-Y21 HydrophobicContact CB-CE1 4.42Å; C19-Y21 HydrophobicContact CB-CE2 3.51Å; C19-Y21 WeakPolarHBondContact O-CD2 3.48Å; C19-Y21 PolarHBondContact O-N 3.16Å; C19-C281 HydrophobicContact CB-CB 3.68Å; C19-C281 WeakPolarHBondContact CB-SG 3.43Å; C19-C281 WeakPolarHBondContact SG-CB 3.12Å; C19-C281 CovalentContact SG-SG 2.02Å; C19-C281 PolarHBondContact SG-SG 3.44Å | ||
| 20 | E | 79.2 | Confident | 64 | Low | 169 Ų | 169 | 112.3 Ų | 112.3 | 79% | 0.79 | 60% | 0.595 | S | S | * | * | trans | -79.7 | 102.6 | 174.3 | -168.4 | 176.8 | -176.7 | 0 | 0 | 109.3 | E18 | E18-E20 PolarHBondContact O-N 3.09Š| ||
| 21 | Y | 77.9 | Confident | 66.9 | Low | 119 Ų | 119 | 102.5 Ų | 102.5 | 47% | 0.467 | 56% | 0.557 | S | S | . | * | trans | -92.5 | 124.4 | 173.1 | -63.8 | -76.1 | 0 | 0 | 0 | 109.7 | C19 M288 | C19-Y21 HydrophobicContact CB-CD2 4.14Å; C19-Y21 HydrophobicContact CB-CE1 4.42Å; C19-Y21 HydrophobicContact CB-CE2 3.51Å; C19-Y21 WeakPolarHBondContact O-CD2 3.48Å; C19-Y21 PolarHBondContact O-N 3.16Å; Y21-M288 HydrophobicContact CD1-SD 3.89Å; Y21-M288 HydrophobicContact CE1-SD 4.08Å | ||
| 22 | T | 76.9 | Confident | 69.9 | Low | 90 Ų | 90 | 91.5 Ų | 91.5 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | trans | -101.4 | 153 | 171.9 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 23 | D | 72.3 | Confident | 73.1 | Confident | 62 Ų | 62 | 90.8 Ų | 90.8 | 33% | 0.332 | 50% | 0.502 | S | S | . | . | trans | -45 | 142.8 | 171.1 | -68.4 | -20.2 | 0 | 0 | 0 | 113.2 | K25 T176 | D23-K25 PolarHBondContact O-N 3.39Å; D23-T176 WeakPolarHBondContact OD1-CG2 3.4Å; D23-T176 VanDerWaalsContact OD2-CG2 3.22Å; D23-T176 WeakPolarHBondContact OD2-CG2 3.34Å | ||
| 24 | W | 76 | Confident | 76.1 | Confident | 85 Ų | 85 | 89.4 Ų | 89.4 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | trans | -57.8 | 124.6 | 172.3 | -64 | 79.7 | 0 | 0 | 0 | 110.6 | Y93 M288 F291 P292 | W24-Y93 HydrophobicContact CB-CD2 3.54Å; W24-Y93 HydrophobicContact CB-CE2 3.7Å; W24-Y93 HydrophobicContact CB-CG 4.04Å; W24-M288 HydrophobicContact CD2-CE 4.41Å; W24-M288 HydrophobicContact CH2-CB 3.96Å; W24-M288 HydrophobicContact CH2-CE 4.19Å; W24-M288 HydrophobicContact CH2-CG 4.05Å; W24-M288 HydrophobicContact CZ2-CB 4.48Å; W24-M288 HydrophobicContact CZ2-CE 3.53Å; W24-M288 HydrophobicContact CZ2-CG 4.2Å; W24-M288 HydrophobicContact CZ3-CB 4.3Å; W24-M288 VanDerWaalsContact CZ3-O 3.3Å; W24-M288 WeakPolarHBondContact CZ3-O 3.48Å; W24-F291 HydrophobicContact CH2-CD1 4.28Å; W24-F291 HydrophobicContact CZ3-CD1 4.41Å; W24-P292 HydrophobicContact CZ3-CG 4.34Å | ||
| 25 | K | 79.5 | Confident | 79.1 | Confident | 149 Ų | 149 | 81.5 Ų | 81.5 | 65% | 0.648 | 44% | 0.44 | S | S | * | . | trans | -112.8 | 147.9 | 176.1 | -68.4 | -179.9 | -176.5 | 173.3 | 0 | 110.5 | D23 S27 | D23-K25 PolarHBondContact O-N 3.39Å; K25-S27 PolarHBondContact O-N 3.37Å | ||
| 26 | S | 78.7 | Confident | 82.1 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | trans | -60.8 | 136.3 | 176.6 | -166.1 | 0 | 0 | 0 | 0 | 110.5 | G28 T89 D92 | S26-G28 PolarHBondContact O-N 3.34Å; S26-G28 PolarHBondContact OG-N 3.04Å; S26-G28 PolarHBondContact OG-O 3.44Å; S26-T89 VanDerWaalsContact CB-O 3.25Å; S26-T89 WeakPolarHBondContact CB-O 3.44Å; S26-T89 PolarHBondContact OG-O 2.96Å; S26-D92 WeakPolarHBondContact CB-OD1 3.35Å; S26-D92 PolarHBondContact N-OD1 3.47Å | ||
| 27 | S | 81.1 | Confident | 84.7 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | trans | -74.5 | 19.3 | 169.8 | -44.7 | 0 | 0 | 0 | 0 | 113 | K25 Y293 | K25-S27 PolarHBondContact O-N 3.37Å; S27-Y293 WeakPolarHBondContact CB-OH 3.32Å | ||
| 28 | G | 87.6 | Confident | 86.8 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 36% | 0.361 | 38% | 0.381 | S | S | . | . | trans | 87.9 | -163.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S26 L30 P32 | S26-G28 PolarHBondContact O-N 3.34Å; S26-G28 PolarHBondContact OG-N 3.04Å; S26-G28 PolarHBondContact OG-O 3.44Å; G28-L30 VanDerWaalsContact C-N 3.27Å; G28-L30 PolarHBondContact O-N 3.38Å; G28-P32 WeakPolarHBondContact O-CD 3.2Å | ||
| 29 | A | 93.9 | Very high | 88.4 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 52% | 0.521 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -75 | -9.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115 | A33 Y90 | A29-A33 WeakPolarHBondContact O-CB 3.44Å; A29-A33 PolarHBondContact O-N 3.08Å; A29-Y90 HydrophobicContact CB-CE2 4.45Å |
| 30 | L | 95.7 | Very high | 89.5 | Confident | 103 Ų | 103 | 67 Ų | 67 | 54% | 0.539 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.6 | -53.7 | -172.8 | 179.3 | 63.3 | 0 | 0 | 0 | 112.7 | G28 A33 I34 Y293 | G28-L30 VanDerWaalsContact C-N 3.27Å; G28-L30 PolarHBondContact O-N 3.38Å; L30-A33 PolarHBondContact O-N 3.24Å; L30-I34 HydrophobicContact CD1-CD1 3.94Å; L30-I34 HydrophobicContact CD1-CG1 4.38Å; L30-I34 HydrophobicContact CG-CD1 3.95Å; L30-I34 WeakPolarHBondContact O-CG1 3.39Å; L30-I34 PolarHBondContact O-N 3.26Å; L30-Y293 HydrophobicContact CD2-CE1 4.49Å |
| 31 | I | 96.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -48.7 | -176.4 | -63.6 | 169.9 | 0 | 0 | 0 | 111.2 | A33 I34 Y35 T89 P292 Y293 C296 | I31-A33 VanDerWaalsContact C-N 3.31Å; I31-A33 PolarHBondContact O-N 3.36Å; I31-I34 PolarHBondContact O-N 3.27Å; I31-Y35 HydrophobicContact CG2-CD1 4.49Å; I31-Y35 HydrophobicContact CG2-CD2 4.23Å; I31-Y35 HydrophobicContact CG2-CE1 4.02Å; I31-Y35 HydrophobicContact CG2-CE2 3.71Å; I31-Y35 PolarHBondContact O-N 2.98Å; I31-T89 HydrophobicContact CB-CG2 4.26Å; I31-T89 HydrophobicContact CG2-CG2 4Å; I31-P292 HydrophobicContact CD1-CB 3.58Å; I31-Y293 HydrophobicContact CD1-CD1 4.31Å; I31-Y293 HydrophobicContact CD1-CE1 4.31Å; I31-Y293 HydrophobicContact CG1-CD1 4.5Å; I31-C296 HydrophobicContact CG1-CB 4.47Å; I31-C296 HydrophobicContact CG2-CB 4.24Å |
| 32 | P | 97.4 | Very high | 91.3 | Very high | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.071 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.6 | -40 | 174.3 | -27.4 | 36.9 | 0 | 0 | 0 | 113.6 | G28 Y35 M36 A86 T89 Y90 | G28-P32 WeakPolarHBondContact O-CD 3.2Å; P32-Y35 PolarHBondContact O-N 3.12Å; P32-M36 WeakPolarHBondContact O-CG 3.25Å; P32-M36 PolarHBondContact O-N 2.91Å; P32-A86 HydrophobicContact CB-CB 4.21Å; P32-T89 HydrophobicContact CG-CG2 4.15Å; P32-Y90 HydrophobicContact CB-CD2 4.49Å; P32-Y90 HydrophobicContact CG-CD2 4.18Å |
| 33 | A | 97.8 | Very high | 92.3 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 50% | 0.496 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A29 L30 I31 M36 L37 | A29-A33 WeakPolarHBondContact O-CB 3.44Å; A29-A33 PolarHBondContact O-N 3.08Å; L30-A33 PolarHBondContact O-N 3.24Å; I31-A33 VanDerWaalsContact C-N 3.31Å; I31-A33 PolarHBondContact O-N 3.36Å; A33-M36 PolarHBondContact O-N 3.34Å; A33-L37 PolarHBondContact O-N 2.67Å |
| 34 | I | 98 | Very high | 93.5 | Very high | 51 Ų | 51 | 55 Ų | 55 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 174.4 | -66.3 | 165.4 | 0 | 0 | 0 | 110.5 | L30 I31 M36 L37 V38 C296 V300 | L30-I34 HydrophobicContact CD1-CD1 3.94Å; L30-I34 HydrophobicContact CD1-CG1 4.38Å; L30-I34 HydrophobicContact CG-CD1 3.95Å; L30-I34 WeakPolarHBondContact O-CG1 3.39Å; L30-I34 PolarHBondContact O-N 3.26Å; I31-I34 PolarHBondContact O-N 3.27Å; I34-M36 VanDerWaalsContact C-N 3.31Å; I34-M36 PolarHBondContact O-N 2.88Å; I34-L37 WeakPolarHBondContact O-CB 3.11Å; I34-L37 PolarHBondContact O-N 3.47Å; I34-L37 VanDerWaalsContact O-N 3.09Å; I34-V38 HydrophobicContact CG2-CG2 4.05Å; I34-V38 VanDerWaalsContact O-CG2 3.28Å; I34-V38 WeakPolarHBondContact O-CG2 3.39Å; I34-V38 PolarHBondContact O-N 3.1Å; I34-C296 VanDerWaalsContact CG2-SG 3.51Å; I34-V300 HydrophobicContact CG2-CG2 3.72Å |
| 35 | Y | 98.3 | Very high | 94.5 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 176.9 | -71.1 | -11.7 | 0 | 0 | 0 | 112.9 | I31 P32 V38 F39 L82 W85 A86 C296 Y299 | I31-Y35 HydrophobicContact CG2-CD1 4.49Å; I31-Y35 HydrophobicContact CG2-CD2 4.23Å; I31-Y35 HydrophobicContact CG2-CE1 4.02Å; I31-Y35 HydrophobicContact CG2-CE2 3.71Å; I31-Y35 PolarHBondContact O-N 2.98Å; P32-Y35 PolarHBondContact O-N 3.12Å; Y35-V38 PolarHBondContact O-N 2.96Å; Y35-F39 WeakPolarHBondContact O-CB 3.41Å; Y35-F39 PolarHBondContact O-N 3.21Å; Y35-L82 HydrophobicContact CD1-CD2 4.31Å; Y35-L82 HydrophobicContact CG-CD2 4.32Å; Y35-W85 HydrophobicContact CD2-CB 4.24Å; Y35-W85 HydrophobicContact CE2-CB 4.25Å; Y35-A86 HydrophobicContact CD2-CB 4.27Å; Y35-C296 HydrophobicContact CE1-CB 4.22Å; Y35-Y299 HydrophobicContact CD1-CD2 4.08Å; Y35-Y299 AromaticContact CE1-CD2 3.38Å; Y35-Y299 HydrophobicContact CE1-CD2 3.38Å; Y35-Y299 HydrophobicContact CE1-CE2 4.16Å; Y35-Y299 HydrophobicContact CE1-CG 4.17Å; Y35-Y299 HydrophobicContact CE2-CD2 4.45Å; Y35-Y299 AromaticContact CZ-CD2 3.62Å; Y35-Y299 AromaticContact CZ-CE2 3.92Å |
| 36 | M | 98.4 | Very high | 95.4 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 38% | 0.384 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 175 | -68.4 | -55.5 | -64.1 | 0 | 0 | 112.3 | P32 A33 I34 F39 L40 P83 A86 | P32-M36 WeakPolarHBondContact O-CG 3.25Å; P32-M36 PolarHBondContact O-N 2.91Å; A33-M36 PolarHBondContact O-N 3.34Å; I34-M36 VanDerWaalsContact C-N 3.31Å; I34-M36 PolarHBondContact O-N 2.88Å; M36-F39 HydrophobicContact CE-CD1 4.2Å; M36-F39 WeakPolarHBondContact O-CB 3.45Å; M36-F39 PolarHBondContact O-N 3.1Å; M36-L40 WeakPolarHBondContact O-CG 3.37Å; M36-L40 PolarHBondContact O-N 3.25Å; M36-P83 HydrophobicContact CE-CG 4.43Å; M36-P83 HydrophobicContact SD-CB 3.98Å; M36-P83 HydrophobicContact SD-CG 4.11Å; M36-A86 HydrophobicContact CG-CB 4.18Å; M36-A86 HydrophobicContact SD-CB 4.11Å |
| 37 | L | 98.3 | Very high | 96.3 | Very high | 97 Ų | 97 | 44.5 Ų | 44.5 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 174.2 | -174.4 | 64.3 | 0 | 0 | 0 | 111.7 | A33 I34 F39 L40 L41 | A33-L37 PolarHBondContact O-N 2.67Å; I34-L37 WeakPolarHBondContact O-CB 3.11Å; I34-L37 PolarHBondContact O-N 3.47Å; I34-L37 VanDerWaalsContact O-N 3.09Å; L37-F39 VanDerWaalsContact C-N 3.3Å; L37-F39 PolarHBondContact O-N 3.19Å; L37-L40 PolarHBondContact O-N 3.46Å; L37-L41 HydrophobicContact CD1-CD1 3.99Å; L37-L41 HydrophobicContact CD1-CG 4.09Å; L37-L41 HydrophobicContact CD2-CD1 4.43Å; L37-L41 HydrophobicContact CG-CD1 3.86Å; L37-L41 HydrophobicContact CG-CG 4.28Å; L37-L41 WeakPolarHBondContact O-CB 3.14Å; L37-L41 WeakPolarHBondContact O-CG 3.47Å; L37-L41 PolarHBondContact O-N 3.19Å |
| 38 | V | 98.5 | Very high | 97 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -38.5 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | I34 Y35 G42 V79 L82 Y299 V300 C303 | I34-V38 HydrophobicContact CG2-CG2 4.05Å; I34-V38 VanDerWaalsContact O-CG2 3.28Å; I34-V38 WeakPolarHBondContact O-CG2 3.39Å; I34-V38 PolarHBondContact O-N 3.1Å; Y35-V38 PolarHBondContact O-N 2.96Å; V38-G42 VanDerWaalsContact O-CA 3.24Å; V38-G42 WeakPolarHBondContact O-CA 3.2Å; V38-G42 PolarHBondContact O-N 3.02Å; V38-V79 HydrophobicContact CG1-CG1 4.25Å; V38-L82 HydrophobicContact CB-CD1 3.79Å; V38-L82 HydrophobicContact CG1-CD1 3.41Å; V38-L82 VanDerWaalsContact CG1-CD1 3.41Å; V38-Y299 WeakPolarHBondContact CG1-O 3.31Å; V38-V300 HydrophobicContact CG2-CB 4.28Å; V38-V300 HydrophobicContact CG2-CG2 3.68Å; V38-C303 HydrophobicContact CG1-CB 4.04Å |
| 39 | F | 98.6 | Very high | 97.4 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 23% | 0.228 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.2 | -52 | 171.9 | 164.1 | -109.7 | 0 | 0 | 0 | 111.8 | Y35 M36 L37 T43 V79 L82 P83 | Y35-F39 WeakPolarHBondContact O-CB 3.41Å; Y35-F39 PolarHBondContact O-N 3.21Å; M36-F39 HydrophobicContact CE-CD1 4.2Å; M36-F39 WeakPolarHBondContact O-CB 3.45Å; M36-F39 PolarHBondContact O-N 3.1Å; L37-F39 VanDerWaalsContact C-N 3.3Å; L37-F39 PolarHBondContact O-N 3.19Å; F39-T43 HydrophobicContact CD2-CG2 3.76Å; F39-T43 HydrophobicContact CE2-CG2 3.66Å; F39-T43 HydrophobicContact CZ-CG2 4.46Å; F39-T43 WeakPolarHBondContact O-CB 3.3Å; F39-T43 WeakPolarHBondContact O-CG2 3.48Å; F39-T43 PolarHBondContact O-N 2.94Å; F39-T43 PolarHBondContact O-OG1 3.22Å; F39-V79 WeakPolarHBondContact CD2-O 3.36Å; F39-L82 HydrophobicContact CB-CB 4.26Å; F39-P83 HydrophobicContact CB-CG 4.38Å; F39-P83 HydrophobicContact CD1-CG 4.03Å; F39-P83 HydrophobicContact CD2-CG 3.87Å; F39-P83 HydrophobicContact CE1-CG 4.26Å; F39-P83 HydrophobicContact CE2-CG 4.1Å; F39-P83 HydrophobicContact CG-CG 3.82Å; F39-P83 HydrophobicContact CZ-CG 4.29Å |
| 40 | L | 98.3 | Very high | 97.5 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.1 | -47.7 | -178.2 | -67.4 | 175.9 | 0 | 0 | 0 | 112.4 | M36 L37 T43 T44 | M36-L40 WeakPolarHBondContact O-CG 3.37Å; M36-L40 PolarHBondContact O-N 3.25Å; L37-L40 PolarHBondContact O-N 3.46Å; L40-T43 PolarHBondContact O-OG1 2.95Å; L40-T43 VanDerWaalsContact O-OG1 3.11Å; L40-T44 WeakPolarHBondContact O-CG2 3.36Å; L40-T44 PolarHBondContact O-N 3.42Å; L40-T44 PolarHBondContact O-OG1 3.42Å |
| 41 | L | 98.2 | Very high | 97.4 | Very high | 57 Ų | 57 | 40.5 Ų | 40.5 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.1 | -38.9 | -179.5 | -64 | -178.1 | 0 | 0 | 0 | 111.9 | L37 T44 G45 C303 F307 | L37-L41 HydrophobicContact CD1-CD1 3.99Å; L37-L41 HydrophobicContact CD1-CG 4.09Å; L37-L41 HydrophobicContact CD2-CD1 4.43Å; L37-L41 HydrophobicContact CG-CD1 3.86Å; L37-L41 HydrophobicContact CG-CG 4.28Å; L37-L41 WeakPolarHBondContact O-CB 3.14Å; L37-L41 WeakPolarHBondContact O-CG 3.47Å; L37-L41 PolarHBondContact O-N 3.19Å; L41-T44 PolarHBondContact O-OG1 2.97Å; L41-G45 WeakPolarHBondContact O-CA 3.4Å; L41-G45 PolarHBondContact O-N 3.16Å; L41-C303 HydrophobicContact CB-CB 3.91Å; L41-F307 HydrophobicContact CB-CE2 4.3Å; L41-F307 HydrophobicContact CD1-CE2 4.12Å; L41-F307 HydrophobicContact CD1-CZ 4.08Å; L41-F307 HydrophobicContact CD2-CZ 4.1Å; L41-F307 HydrophobicContact CG-CZ 4.48Å |
| 42 | G | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.7 | -43 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V38 N46 | V38-G42 VanDerWaalsContact O-CA 3.24Å; V38-G42 WeakPolarHBondContact O-CA 3.2Å; V38-G42 PolarHBondContact O-N 3.02Å; G42-N46 VanDerWaalsContact O-CB 3.23Å; G42-N46 WeakPolarHBondContact O-CB 3.47Å; G42-N46 PolarHBondContact O-N 3.21Å; G42-N46 PolarHBondContact O-ND2 3.25Å |
| 43 | T | 98 | Very high | 96.9 | Very high | 34 Ų | 34 | 41.2 Ų | 41.2 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -50.7 | 177.9 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | F39 L40 G47 L76 V79 V80 | F39-T43 HydrophobicContact CD2-CG2 3.76Å; F39-T43 HydrophobicContact CE2-CG2 3.66Å; F39-T43 HydrophobicContact CZ-CG2 4.46Å; F39-T43 WeakPolarHBondContact O-CB 3.3Å; F39-T43 WeakPolarHBondContact O-CG2 3.48Å; F39-T43 PolarHBondContact O-N 2.94Å; F39-T43 PolarHBondContact O-OG1 3.22Å; L40-T43 PolarHBondContact O-OG1 2.95Å; L40-T43 VanDerWaalsContact O-OG1 3.11Å; T43-G47 PolarHBondContact O-N 3.43Å; T43-G47 VanDerWaalsContact O-N 3.08Å; T43-L76 HydrophobicContact CG2-CD1 4.26Å; T43-V79 HydrophobicContact CG2-CG2 3.86Å; T43-V80 HydrophobicContact CG2-CG2 3.98Å |
| 44 | T | 97 | Very high | 96.6 | Very high | 97 Ų | 97 | 44.2 Ų | 44.2 | 60% | 0.595 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66.6 | -45.9 | 179.7 | 54 | 0 | 0 | 0 | 0 | 112 | L40 L41 L48 | L40-T44 WeakPolarHBondContact O-CG2 3.36Å; L40-T44 PolarHBondContact O-N 3.42Å; L40-T44 PolarHBondContact O-OG1 3.42Å; L41-T44 PolarHBondContact O-OG1 2.97Å; T44-L48 WeakPolarHBondContact O-CB 3.31Å; T44-L48 PolarHBondContact O-N 3.26Å |
| 45 | G | 97 | Very high | 96.2 | Very high | 10 Ų | 10 | 49 Ų | 49 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.3 | -50.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L41 G47 L48 V49 | L41-G45 WeakPolarHBondContact O-CA 3.4Å; L41-G45 PolarHBondContact O-N 3.16Å; G45-G47 VanDerWaalsContact C-N 3.34Å; G45-L48 WeakPolarHBondContact O-CB 3.43Å; G45-L48 PolarHBondContact O-N 3.36Å; G45-V49 WeakPolarHBondContact O-CG2 3.32Å; G45-V49 PolarHBondContact O-N 3.37Å |
| 46 | N | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.7 | -32.9 | 179.6 | -68.6 | -62 | 0 | 0 | 0 | 111.8 | G42 L48 V49 L50 A72 D75 L76 S302 | G42-N46 VanDerWaalsContact O-CB 3.23Å; G42-N46 WeakPolarHBondContact O-CB 3.47Å; G42-N46 PolarHBondContact O-N 3.21Å; G42-N46 PolarHBondContact O-ND2 3.25Å; N46-L48 VanDerWaalsContact C-N 3.3Å; N46-L48 PolarHBondContact O-N 3.37Å; N46-V49 PolarHBondContact O-N 3.38Å; N46-L50 WeakPolarHBondContact O-CG 3.37Å; N46-L50 PolarHBondContact O-N 2.87Å; N46-A72 HydrophobicContact CB-CB 4.17Å; N46-D75 WeakPolarHBondContact ND2-CB 3.48Å; N46-L76 HydrophobicContact CB-CB 4.35Å; N46-S302 PolarHBondContact ND2-O 3.13Å |
| 47 | G | 97.2 | Very high | 94.6 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.8 | -42.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T43 G45 L50 W51 | T43-G47 PolarHBondContact O-N 3.43Å; T43-G47 VanDerWaalsContact O-N 3.08Å; G45-G47 VanDerWaalsContact C-N 3.34Å; G47-L50 PolarHBondContact O-N 3.43Å; G47-W51 WeakPolarHBondContact O-CB 3.43Å; G47-W51 PolarHBondContact O-N 2.82Å |
| 48 | L | 95.8 | Very high | 93.6 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 175.5 | -173.9 | 60.5 | 0 | 0 | 0 | 112.2 | T44 G45 N46 L50 W51 T52 F316 M323 | T44-L48 WeakPolarHBondContact O-CB 3.31Å; T44-L48 PolarHBondContact O-N 3.26Å; G45-L48 WeakPolarHBondContact O-CB 3.43Å; G45-L48 PolarHBondContact O-N 3.36Å; N46-L48 VanDerWaalsContact C-N 3.3Å; N46-L48 PolarHBondContact O-N 3.37Å; L48-L50 PolarHBondContact O-N 3.24Å; L48-W51 HydrophobicContact CD1-CE3 4.02Å; L48-W51 PolarHBondContact O-N 3.46Å; L48-T52 WeakPolarHBondContact O-CG2 3.44Å; L48-T52 PolarHBondContact O-N 2.93Å; L48-T52 PolarHBondContact O-OG1 3.46Å; L48-F316 HydrophobicContact CD2-CZ 4.01Å; L48-F316 HydrophobicContact CG-CE2 4.3Å; L48-F316 HydrophobicContact CG-CZ 4.02Å; L48-M323 HydrophobicContact CD1-SD 4.28Å |
| 49 | V | 96 | Very high | 92.5 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.2 | -51.7 | 173.2 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | G45 N46 W51 T52 V53 I68 A72 P306 Y309 F316 | G45-V49 WeakPolarHBondContact O-CG2 3.32Å; G45-V49 PolarHBondContact O-N 3.37Å; N46-V49 PolarHBondContact O-N 3.38Å; V49-W51 VanDerWaalsContact C-N 3.34Å; V49-W51 PolarHBondContact O-N 3.16Å; V49-T52 PolarHBondContact O-N 3.43Å; V49-T52 PolarHBondContact O-OG1 3.33Å; V49-V53 WeakPolarHBondContact O-CG2 3.37Å; V49-V53 PolarHBondContact O-N 3.5Å; V49-V53 VanDerWaalsContact O-N 3.08Å; V49-I68 HydrophobicContact CG1-CG2 3.68Å; V49-A72 HydrophobicContact CB-CB 4.03Å; V49-A72 HydrophobicContact CG1-CB 3.76Å; V49-P306 HydrophobicContact CG2-CB 4.28Å; V49-P306 HydrophobicContact CG2-CG 4.17Å; V49-Y309 HydrophobicContact CG1-CD2 4.45Å; V49-Y309 HydrophobicContact CG1-CE2 4.25Å; V49-Y309 HydrophobicContact CG2-CD2 3.68Å; V49-Y309 HydrophobicContact CG2-CE2 4.08Å; V49-F316 HydrophobicContact CB-CE2 4.45Å; V49-F316 HydrophobicContact CG2-CE2 3.85Å; V49-F316 HydrophobicContact CG2-CZ 4.18Å |
| 50 | L | 96 | Very high | 91.5 | Very high | 25 Ų | 25 | 68.1 Ų | 68.1 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 176.7 | -67.8 | 171.1 | 0 | 0 | 0 | 111.5 | N46 G47 L48 T52 V53 F54 A69 A72 V73 L76 | N46-L50 WeakPolarHBondContact O-CG 3.37Å; N46-L50 PolarHBondContact O-N 2.87Å; G47-L50 PolarHBondContact O-N 3.43Å; L48-L50 PolarHBondContact O-N 3.24Å; L50-T52 VanDerWaalsContact C-N 3.34Å; L50-T52 PolarHBondContact O-N 3.26Å; L50-V53 PolarHBondContact O-N 3.26Å; L50-F54 HydrophobicContact CB-CD2 4.26Å; L50-F54 HydrophobicContact CD2-CD2 4.44Å; L50-F54 HydrophobicContact CD2-CE2 3.9Å; L50-F54 WeakPolarHBondContact O-CB 3.27Å; L50-F54 WeakPolarHBondContact O-CD2 3.4Å; L50-F54 PolarHBondContact O-N 3.43Å; L50-A69 HydrophobicContact CD2-CB 4.18Å; L50-A69 WeakPolarHBondContact CD2-O 3.45Å; L50-A72 HydrophobicContact CD2-CB 3.91Å; L50-A72 HydrophobicContact CG-CB 3.87Å; L50-V73 HydrophobicContact CD1-CG2 4.17Å; L50-V73 HydrophobicContact CD2-CG2 3.7Å; L50-L76 HydrophobicContact CD1-CD2 4.04Å |
| 51 | W | 94.4 | Very high | 90.7 | Very high | 80 Ų | 80 | 67.5 Ų | 67.5 | 30% | 0.303 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 178 | 179.4 | 87.5 | 0 | 0 | 0 | 112.2 | G47 L48 V49 V53 F54 R55 M323 | G47-W51 WeakPolarHBondContact O-CB 3.43Å; G47-W51 PolarHBondContact O-N 2.82Å; L48-W51 HydrophobicContact CD1-CE3 4.02Å; L48-W51 PolarHBondContact O-N 3.46Å; V49-W51 VanDerWaalsContact C-N 3.34Å; V49-W51 PolarHBondContact O-N 3.16Å; W51-V53 PolarHBondContact O-N 3.42Å; W51-F54 PolarHBondContact O-N 2.93Å; W51-R55 WeakPolarHBondContact O-CB 3.42Å; W51-R55 PolarHBondContact O-N 3.15Å; W51-M323 HydrophobicContact CD2-SD 4.07Å; W51-M323 HydrophobicContact CE3-SD 3.98Å; W51-M323 HydrophobicContact CH2-CB 3.41Å; W51-M323 VanDerWaalsContact CH2-CB 3.41Å; W51-M323 HydrophobicContact CH2-CG 3.5Å; W51-M323 HydrophobicContact CH2-SD 3.65Å; W51-M323 HydrophobicContact CZ2-CB 4.12Å; W51-M323 HydrophobicContact CZ2-CE 4.37Å; W51-M323 HydrophobicContact CZ2-CG 3.68Å; W51-M323 HydrophobicContact CZ2-SD 3.69Å; W51-M323 HydrophobicContact CZ3-CB 3.88Å; W51-M323 HydrophobicContact CZ3-CG 4.13Å; W51-M323 HydrophobicContact CZ3-SD 3.78Å |
| 52 | T | 92.2 | Very high | 89.7 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 179.7 | 62 | 0 | 0 | 0 | 0 | 112.6 | L48 V49 L50 S56 F316 A319 | L48-T52 WeakPolarHBondContact O-CG2 3.44Å; L48-T52 PolarHBondContact O-N 2.93Å; L48-T52 PolarHBondContact O-OG1 3.46Å; V49-T52 PolarHBondContact O-N 3.43Å; V49-T52 PolarHBondContact O-OG1 3.33Å; L50-T52 VanDerWaalsContact C-N 3.34Å; L50-T52 PolarHBondContact O-N 3.26Å; T52-S56 PolarHBondContact O-N 3.41Å; T52-F316 HydrophobicContact CG2-CD2 3.81Å; T52-F316 HydrophobicContact CG2-CE2 3.73Å; T52-F316 WeakPolarHBondContact OG1-CD2 3.38Å; T52-A319 HydrophobicContact CG2-CB 3.69Å |
| 53 | V | 91.4 | Very high | 88.8 | Confident | 12 Ų | 12 | 69 Ų | 69 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.6 | -45.3 | 179.2 | 175.1 | 0 | 0 | 0 | 0 | 111 | V49 L50 W51 S56 R61 D65 I68 A69 | V49-V53 WeakPolarHBondContact O-CG2 3.37Å; V49-V53 PolarHBondContact O-N 3.5Å; V49-V53 VanDerWaalsContact O-N 3.08Å; L50-V53 PolarHBondContact O-N 3.26Å; W51-V53 PolarHBondContact O-N 3.42Å; V53-S56 PolarHBondContact O-N 3.42Å; V53-R61 PolarHBondContact O-NE 3.01Å; V53-D65 HydrophobicContact CG1-CB 4.08Å; V53-I68 HydrophobicContact CG2-CG2 4.41Å; V53-A69 HydrophobicContact CB-CB 4.5Å; V53-A69 HydrophobicContact CG1-CB 4.03Å |
| 54 | F | 90.9 | Very high | 88.2 | Confident | 124 Ų | 124 | 67.3 Ų | 67.3 | 54% | 0.544 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.5 | -31.8 | -176.1 | -78.4 | -71 | 0 | 0 | 0 | 113.3 | L50 W51 S56 R61 A69 | L50-F54 HydrophobicContact CB-CD2 4.26Å; L50-F54 HydrophobicContact CD2-CD2 4.44Å; L50-F54 HydrophobicContact CD2-CE2 3.9Å; L50-F54 WeakPolarHBondContact O-CB 3.27Å; L50-F54 WeakPolarHBondContact O-CD2 3.4Å; L50-F54 PolarHBondContact O-N 3.43Å; W51-F54 PolarHBondContact O-N 2.93Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 2.91Å; F54-R61 PolarHBondContact O-NH2 3.12Å; F54-A69 HydrophobicContact CE2-CB 4.48Å |
| 55 | R | 89.4 | Confident | 87.8 | Confident | 150 Ų | 150 | 63.2 Ų | 63.2 | 57% | 0.566 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68.6 | -28.2 | 173.6 | -179.9 | 173 | 164 | 80.4 | 0 | 113.1 | W51 S57 | W51-R55 WeakPolarHBondContact O-CB 3.42Å; W51-R55 PolarHBondContact O-N 3.15Å; R55-S57 PolarHBondContact O-N 2.84Å |
| 56 | S | 84.6 | Confident | 87.5 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -67.2 | 131.5 | 174.9 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | T52 V53 F54 R61 | T52-S56 PolarHBondContact O-N 3.41Å; V53-S56 PolarHBondContact O-N 3.42Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-S56 PolarHBondContact O-N 2.91Å; S56-R61 PolarHBondContact O-NE 3.43Å; S56-R61 VanDerWaalsContact O-NE 3.15Å; S56-R61 PolarHBondContact O-NH2 3.01Å |
| 57 | S | 79.2 | Confident | 87.3 | Confident | 54 Ų | 54 | 66 Ų | 66 | 38% | 0.378 | 31% | 0.306 | S | S | . | . | trans | -55.6 | 145 | 175.6 | 67.6 | 0 | 0 | 0 | 0 | 110.5 | R55 E59 K60 R61 | R55-S57 PolarHBondContact O-N 2.84Å; S57-E59 PolarHBondContact O-N 3.38Å; S57-E59 VanDerWaalsContact O-N 3.16Å; S57-K60 PolarHBondContact O-N 3.35Å; S57-K60 WeakPolarHBondContact OG-CD 3.22Å; S57-K60 WeakPolarHBondContact OG-CG 3.46Å; S57-R61 PolarHBondContact O-N 2.81Å | ||
| 58 | R | 77.7 | Confident | 87.1 | Confident | 217 Ų | 217 | 65 Ų | 65 | 82% | 0.819 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -53.5 | -38.7 | -176.2 | -73 | -177.6 | 173.3 | 169.8 | -2.3 | 112.2 | K60 R61 | R58-K60 VanDerWaalsContact C-N 3.28Å; R58-K60 PolarHBondContact O-N 3.24Å; R58-R61 WeakPolarHBondContact O-CB 3.47Å; R58-R61 PolarHBondContact O-N 2.91Å |
| 59 | E | 74.6 | Confident | 87 | Confident | 187 Ų | 187 | 62.7 Ų | 62.7 | 87% | 0.874 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -63.4 | -28.3 | 177.9 | -63.6 | 173.4 | 178.7 | 0 | 0 | 114.1 | S57 | S57-E59 PolarHBondContact O-N 3.38Å; S57-E59 VanDerWaalsContact O-N 3.16Å |
| 60 | K | 77.3 | Confident | 87 | Confident | 147 Ų | 147 | 63.2 Ų | 63.2 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -89 | -10.7 | -178.9 | -69.1 | 178 | -175.9 | 177.1 | 0 | 113.1 | S57 R58 R315 | S57-K60 PolarHBondContact O-N 3.35Å; S57-K60 WeakPolarHBondContact OG-CD 3.22Å; S57-K60 WeakPolarHBondContact OG-CG 3.46Å; R58-K60 VanDerWaalsContact C-N 3.28Å; R58-K60 PolarHBondContact O-N 3.24Å; K60-R315 PolarHBondContact O-NH1 3.07Å |
| 61 | R | 81.5 | Confident | 87 | Confident | 83 Ų | 83 | 62.1 Ų | 62.1 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | trans | -70 | 131.9 | -177.6 | -66.1 | -174.6 | -171.9 | -177.1 | 3.4 | 111 | V53 F54 S56 S57 R58 D65 | V53-R61 PolarHBondContact O-NE 3.01Å; F54-R61 PolarHBondContact O-NH2 3.12Å; S56-R61 PolarHBondContact O-NE 3.43Å; S56-R61 VanDerWaalsContact O-NE 3.15Å; S56-R61 PolarHBondContact O-NH2 3.01Å; S57-R61 PolarHBondContact O-N 2.81Å; R58-R61 WeakPolarHBondContact O-CB 3.47Å; R58-R61 PolarHBondContact O-N 2.91Å; R61-D65 WeakPolarHBondContact CA-OD2 3.44Å; R61-D65 HydrophobicContact CB-CB 4.48Å | ||
| 62 | R | 78.6 | Confident | 87.2 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 21% | 0.211 | 27% | 0.267 | C | S | . | . | trans | -75.5 | 154.7 | 171.8 | -57.5 | 176.1 | -70.3 | -168.6 | -1.7 | 108.9 | A64 D65 D313 R315 | R62-A64 HydrophobicContact CB-CB 4.41Å; R62-A64 PolarHBondContact O-N 2.84Å; R62-D65 IonicContact CZ-OD1 2.94Å; R62-D65 VanDerWaalsContact CZ-OD1 3.31Å; R62-D65 PolarHBondContact N-OD2 3.44Å; R62-D65 IonicContact NE-OD1 3.79Å; R62-D65 PolarHBondContact NE-OD1 3.02Å; R62-D65 IonicContact NE-OD2 3.12Å; R62-D65 IonicContact NH2-OD1 2.82Å; R62-D65 PolarHBondContact NH2-OD1 3.19Å; R62-D65 WeakPolarHBondContact O-CB 3.46Å; R62-D65 PolarHBondContact O-N 3.21Å; R62-D313 IonicContact CZ-OD2 3.09Å; R62-D313 IonicContact NH1-OD1 3.31Å; R62-D313 IonicContact NH1-OD2 3.86Å; R62-D313 PolarHBondContact NH1-OD2 3.06Å; R62-D313 VanDerWaalsContact NH1-OD2 3.12Å; R62-D313 IonicContact NH2-OD2 3.54Å; R62-D313 PolarHBondContact NH2-OD2 3.43Å; R62-R315 VanDerWaalsContact CG-NH1 3.33Å | ||
| 63 | S | 78.8 | Confident | 87.5 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.4 | -36.1 | 168.3 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | D65 I66 D126 | S63-D65 VanDerWaalsContact C-N 3.3Å; S63-D65 PolarHBondContact O-N 3.09Å; S63-I66 VanDerWaalsContact O-CG2 3.27Å; S63-I66 WeakPolarHBondContact O-CG2 3.49Å; S63-D126 VanDerWaalsContact CB-OD1 3.28Å; S63-D126 WeakPolarHBondContact CB-OD1 3.43Å; S63-D126 PolarHBondContact OG-OD1 3.02Å |
| 64 | A | 85.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -26.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R62 I66 F67 I68 L123 L246 | R62-A64 HydrophobicContact CB-CB 4.41Å; R62-A64 PolarHBondContact O-N 2.84Å; A64-I66 PolarHBondContact O-N 2.99Å; A64-F67 PolarHBondContact O-N 3.27Å; A64-I68 HydrophobicContact CB-CD1 4.45Å; A64-I68 WeakPolarHBondContact O-CG1 3.16Å; A64-I68 PolarHBondContact O-N 3.5Å; A64-L123 HydrophobicContact CB-CD2 3.61Å; A64-L246 HydrophobicContact CB-CD1 4.24Å; A64-L246 HydrophobicContact CB-CD2 4.01Å |
| 65 | D | 88.7 | Confident | 88.1 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.059 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.8 | -24.9 | -172.9 | -64.6 | -18.3 | 0 | 0 | 0 | 111.8 | V53 R61 R62 S63 A69 | V53-D65 HydrophobicContact CG1-CB 4.08Å; R61-D65 WeakPolarHBondContact CA-OD2 3.44Å; R61-D65 HydrophobicContact CB-CB 4.48Å; R62-D65 IonicContact CZ-OD1 2.94Å; R62-D65 VanDerWaalsContact CZ-OD1 3.31Å; R62-D65 PolarHBondContact N-OD2 3.44Å; R62-D65 IonicContact NE-OD1 3.79Å; R62-D65 PolarHBondContact NE-OD1 3.02Å; R62-D65 IonicContact NE-OD2 3.12Å; R62-D65 IonicContact NH2-OD1 2.82Å; R62-D65 PolarHBondContact NH2-OD1 3.19Å; R62-D65 WeakPolarHBondContact O-CB 3.46Å; R62-D65 PolarHBondContact O-N 3.21Å; S63-D65 VanDerWaalsContact C-N 3.3Å; S63-D65 PolarHBondContact O-N 3.09Å; D65-A69 WeakPolarHBondContact O-CB 3.08Å; D65-A69 PolarHBondContact O-N 2.79Å |
| 66 | I | 90.8 | Very high | 88.6 | Confident | 60 Ų | 60 | 48.9 Ų | 48.9 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.4 | -38.8 | 175.5 | -161.8 | 170.4 | 0 | 0 | 0 | 112.5 | S63 A64 S70 A147 T150 | S63-I66 VanDerWaalsContact O-CG2 3.27Å; S63-I66 WeakPolarHBondContact O-CG2 3.49Å; A64-I66 PolarHBondContact O-N 2.99Å; I66-S70 WeakPolarHBondContact O-CB 3.48Å; I66-S70 PolarHBondContact O-N 2.95Å; I66-S70 PolarHBondContact O-OG 3.25Å; I66-A147 VanDerWaalsContact CD1-CA 3.44Å; I66-A147 HydrophobicContact CD1-CB 3.82Å; I66-T150 HydrophobicContact CG1-CG2 4.37Å |
| 67 | F | 93 | Very high | 89.2 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.2 | -39.2 | 175.6 | -65.5 | -73.7 | 0 | 0 | 0 | 110.7 | A64 S70 L71 L123 A149 L153 | A64-F67 PolarHBondContact O-N 3.27Å; F67-S70 PolarHBondContact O-N 3.43Å; F67-L71 WeakPolarHBondContact O-CB 3.49Å; F67-L71 PolarHBondContact O-N 3.4Å; F67-L123 HydrophobicContact CB-CD1 4.16Å; F67-L123 HydrophobicContact CB-CD2 3.77Å; F67-L123 HydrophobicContact CB-CG 3.62Å; F67-L123 HydrophobicContact CD2-CD2 4.21Å; F67-L123 HydrophobicContact CD2-CG 4.41Å; F67-L123 HydrophobicContact CG-CD2 4.34Å; F67-L123 HydrophobicContact CG-CG 4.17Å; F67-A149 HydrophobicContact CE1-CB 4.41Å; F67-A149 HydrophobicContact CZ-CB 4.09Å; F67-L153 HydrophobicContact CD1-CD2 3.93Å; F67-L153 HydrophobicContact CE1-CD2 3.81Å |
| 68 | I | 93 | Very high | 90.1 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 174.5 | -67.6 | 168.5 | 0 | 0 | 0 | 110.8 | V49 V53 A64 L71 A72 Y309 | V49-I68 HydrophobicContact CG1-CG2 3.68Å; V53-I68 HydrophobicContact CG2-CG2 4.41Å; A64-I68 HydrophobicContact CB-CD1 4.45Å; A64-I68 WeakPolarHBondContact O-CG1 3.16Å; A64-I68 PolarHBondContact O-N 3.5Å; I68-L71 PolarHBondContact O-N 2.93Å; I68-A72 PolarHBondContact O-N 3.47Å; I68-Y309 HydrophobicContact CD1-CE1 4.32Å; I68-Y309 HydrophobicContact CG1-CE1 4.36Å; I68-Y309 HydrophobicContact CG2-CE1 4.33Å; I68-Y309 HydrophobicContact CG2-CE2 4.08Å |
| 69 | A | 94.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L50 V53 F54 D65 A72 V73 | L50-A69 HydrophobicContact CD2-CB 4.18Å; L50-A69 WeakPolarHBondContact CD2-O 3.45Å; V53-A69 HydrophobicContact CB-CB 4.5Å; V53-A69 HydrophobicContact CG1-CB 4.03Å; F54-A69 HydrophobicContact CE2-CB 4.48Å; D65-A69 WeakPolarHBondContact O-CB 3.08Å; D65-A69 PolarHBondContact O-N 2.79Å; A69-A72 PolarHBondContact O-N 2.94Å; A69-V73 WeakPolarHBondContact O-CG2 3.46Å; A69-V73 PolarHBondContact O-N 2.82Å |
| 70 | S | 96.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 32 Ų | 32 | 8% | 0.077 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 178.3 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | I66 F67 A72 V73 A74 T150 W154 | I66-S70 WeakPolarHBondContact O-CB 3.48Å; I66-S70 PolarHBondContact O-N 2.95Å; I66-S70 PolarHBondContact O-OG 3.25Å; F67-S70 PolarHBondContact O-N 3.43Å; S70-A72 VanDerWaalsContact C-N 3.35Å; S70-A72 PolarHBondContact O-N 3.25Å; S70-V73 PolarHBondContact O-N 2.98Å; S70-A74 PolarHBondContact O-N 3.22Å; S70-T150 WeakPolarHBondContact OG-CG2 3.39Å; S70-W154 WeakPolarHBondContact O-CZ2 3.34Å |
| 71 | L | 96.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 173.8 | -175.4 | 64.5 | 0 | 0 | 0 | 110.9 | F67 I68 V73 A74 D75 S116 C119 | F67-L71 WeakPolarHBondContact O-CB 3.49Å; F67-L71 PolarHBondContact O-N 3.4Å; I68-L71 PolarHBondContact O-N 2.93Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 3.08Å; L71-A74 PolarHBondContact O-N 2.96Å; L71-D75 PolarHBondContact O-N 2.99Å; L71-S116 WeakPolarHBondContact CD1-OG 3.43Å; L71-C119 HydrophobicContact CB-CB 4.33Å; L71-C119 HydrophobicContact CD1-CB 4.48Å |
| 72 | A | 97.7 | Very high | 94 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -33 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N46 V49 L50 I68 A69 S70 L76 | N46-A72 HydrophobicContact CB-CB 4.17Å; V49-A72 HydrophobicContact CB-CB 4.03Å; V49-A72 HydrophobicContact CG1-CB 3.76Å; L50-A72 HydrophobicContact CD2-CB 3.91Å; L50-A72 HydrophobicContact CG-CB 3.87Å; I68-A72 PolarHBondContact O-N 3.47Å; A69-A72 PolarHBondContact O-N 2.94Å; S70-A72 VanDerWaalsContact C-N 3.35Å; S70-A72 PolarHBondContact O-N 3.25Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 PolarHBondContact O-N 3.41Å |
| 73 | V | 98 | Very high | 94.9 | Very high | 54 Ų | 54 | 20.5 Ų | 20.5 | 33% | 0.327 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66.6 | -47.2 | 171.8 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | L50 A69 S70 L71 L76 T77 W154 | L50-V73 HydrophobicContact CD1-CG2 4.17Å; L50-V73 HydrophobicContact CD2-CG2 3.7Å; A69-V73 WeakPolarHBondContact O-CG2 3.46Å; A69-V73 PolarHBondContact O-N 2.82Å; S70-V73 PolarHBondContact O-N 2.98Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 3.08Å; V73-L76 PolarHBondContact O-N 3.33Å; V73-T77 HydrophobicContact CG1-CG2 4.31Å; V73-T77 WeakPolarHBondContact O-CG2 3.42Å; V73-T77 PolarHBondContact O-N 3.23Å; V73-T77 PolarHBondContact O-OG1 2.75Å; V73-W154 HydrophobicContact CB-CH2 4.34Å; V73-W154 HydrophobicContact CB-CZ2 4.11Å; V73-W154 HydrophobicContact CG1-CH2 3.88Å; V73-W154 HydrophobicContact CG1-CZ2 3.99Å |
| 74 | A | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.2 | -52.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S70 L71 L76 T77 F78 N112 A115 W154 | S70-A74 PolarHBondContact O-N 3.22Å; L71-A74 PolarHBondContact O-N 2.96Å; A74-L76 PolarHBondContact O-N 3.07Å; A74-T77 PolarHBondContact O-N 2.84Å; A74-T77 PolarHBondContact O-OG1 3.31Å; A74-F78 PolarHBondContact O-N 3.29Å; A74-F78 VanDerWaalsContact O-N 3.11Å; A74-N112 PolarHBondContact O-OD1 3.01Å; A74-A115 HydrophobicContact CB-CB 3.9Å; A74-W154 HydrophobicContact CB-CH2 3.97Å; A74-W154 HydrophobicContact CB-CZ2 4.44Å |
| 75 | D | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 177.8 | -73.9 | -35.7 | 0 | 0 | 0 | 111.3 | N46 L71 T77 F78 V79 N112 S302 N305 | N46-D75 WeakPolarHBondContact ND2-CB 3.48Å; L71-D75 PolarHBondContact O-N 2.99Å; D75-T77 PolarHBondContact O-N 3.47Å; D75-F78 PolarHBondContact O-N 3.06Å; D75-V79 WeakPolarHBondContact O-CG1 3.34Å; D75-V79 WeakPolarHBondContact O-CG2 3.33Å; D75-V79 PolarHBondContact O-N 3.39Å; D75-N112 PolarHBondContact N-OD1 3.13Å; D75-N112 PolarHBondContact OD1-OD1 2.89Å; D75-S302 VanDerWaalsContact OD1-CA 3.28Å; D75-S302 WeakPolarHBondContact OD1-CA 3.48Å; D75-S302 WeakPolarHBondContact OD1-CB 3.37Å; D75-S302 PolarHBondContact OD1-OG 3.16Å; D75-N305 PolarHBondContact OD2-ND2 2.92Å |
| 76 | L | 98.1 | Very high | 96.9 | Very high | 48 Ų | 48 | 21.8 Ų | 21.8 | 25% | 0.251 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -61.1 | -44.8 | -179.3 | -172.9 | 67.8 | 0 | 0 | 0 | 112.2 | T43 N46 L50 A72 V73 A74 F78 V79 V80 | T43-L76 HydrophobicContact CG2-CD1 4.26Å; N46-L76 HydrophobicContact CB-CB 4.35Å; L50-L76 HydrophobicContact CD1-CD2 4.04Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 PolarHBondContact O-N 3.41Å; V73-L76 PolarHBondContact O-N 3.33Å; A74-L76 PolarHBondContact O-N 3.07Å; L76-F78 VanDerWaalsContact C-N 3.3Å; L76-F78 PolarHBondContact O-N 3.06Å; L76-V79 HydrophobicContact CD1-CG2 4.47Å; L76-V79 WeakPolarHBondContact O-CG2 3.43Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.46Å; L76-V80 PolarHBondContact O-N 2.89Å |
| 77 | T | 97.5 | Very high | 97.2 | Very high | 54 Ų | 54 | 21.5 Ų | 21.5 | 33% | 0.331 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -64.2 | -35.9 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | V73 A74 D75 | V73-T77 HydrophobicContact CG1-CG2 4.31Å; V73-T77 WeakPolarHBondContact O-CG2 3.42Å; V73-T77 PolarHBondContact O-N 3.23Å; V73-T77 PolarHBondContact O-OG1 2.75Å; A74-T77 PolarHBondContact O-N 2.84Å; A74-T77 PolarHBondContact O-OG1 3.31Å; D75-T77 PolarHBondContact O-N 3.47Å |
| 78 | F | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74.5 | -49.3 | 176.2 | 157 | -111.1 | 0 | 0 | 0 | 112.8 | A74 D75 L76 V80 T81 L82 I109 N112 Y299 S302 | A74-F78 PolarHBondContact O-N 3.29Å; A74-F78 VanDerWaalsContact O-N 3.11Å; D75-F78 PolarHBondContact O-N 3.06Å; L76-F78 VanDerWaalsContact C-N 3.3Å; L76-F78 PolarHBondContact O-N 3.06Å; F78-V80 PolarHBondContact O-N 3.32Å; F78-V80 VanDerWaalsContact O-N 3.15Å; F78-T81 WeakPolarHBondContact O-CB 3.06Å; F78-T81 PolarHBondContact O-N 3.02Å; F78-T81 PolarHBondContact O-OG1 2.96Å; F78-L82 HydrophobicContact CE1-CD1 4.42Å; F78-L82 HydrophobicContact CE1-CD2 4.43Å; F78-L82 HydrophobicContact CE2-CD2 3.9Å; F78-L82 HydrophobicContact CE2-CG 4.37Å; F78-L82 HydrophobicContact CZ-CD1 4.38Å; F78-L82 HydrophobicContact CZ-CD2 3.62Å; F78-L82 HydrophobicContact CZ-CG 4.11Å; F78-I109 HydrophobicContact CD2-CB 4.47Å; F78-I109 HydrophobicContact CD2-CG1 3.75Å; F78-I109 HydrophobicContact CE2-CG1 3.61Å; F78-N112 HydrophobicContact CB-CB 3.52Å; F78-N112 VanDerWaalsContact CD1-ND2 3.3Å; F78-N112 WeakPolarHBondContact CD1-ND2 3.38Å; F78-N112 HydrophobicContact CG-CB 4.04Å; F78-Y299 HydrophobicContact CE1-CD1 4.38Å; F78-Y299 HydrophobicContact CE1-CG 4.32Å; F78-Y299 HydrophobicContact CE2-CD1 4.24Å; F78-Y299 HydrophobicContact CE2-CD2 4.34Å; F78-Y299 HydrophobicContact CE2-CE1 4.21Å; F78-Y299 HydrophobicContact CE2-CE2 4.32Å; F78-Y299 HydrophobicContact CE2-CG 4.33Å; F78-Y299 AromaticContact CZ-CD1 3.56Å; F78-Y299 HydrophobicContact CZ-CD1 3.56Å; F78-Y299 AromaticContact CZ-CD2 3.8Å; F78-Y299 HydrophobicContact CZ-CD2 3.8Å; F78-Y299 AromaticContact CZ-CE1 3.99Å; F78-Y299 HydrophobicContact CZ-CE1 3.99Å; F78-Y299 HydrophobicContact CZ-CE2 4.21Å; F78-Y299 AromaticContact CZ-CG 3.47Å; F78-Y299 HydrophobicContact CZ-CG 3.47Å; F78-Y299 VanDerWaalsContact CZ-CG 3.47Å; F78-S302 WeakPolarHBondContact CD1-OG 3.39Å |
| 79 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -29.6 | -173.6 | -64.1 | 0 | 0 | 0 | 0 | 112.5 | V38 F39 T43 D75 L76 T81 L82 | V38-V79 HydrophobicContact CG1-CG1 4.25Å; F39-V79 WeakPolarHBondContact CD2-O 3.36Å; T43-V79 HydrophobicContact CG2-CG2 3.86Å; D75-V79 WeakPolarHBondContact O-CG1 3.34Å; D75-V79 WeakPolarHBondContact O-CG2 3.33Å; D75-V79 PolarHBondContact O-N 3.39Å; L76-V79 HydrophobicContact CD1-CG2 4.47Å; L76-V79 WeakPolarHBondContact O-CG2 3.43Å; V79-T81 PolarHBondContact O-N 3.36Å; V79-L82 HydrophobicContact CB-CD1 4.08Å; V79-L82 HydrophobicContact CG1-CD1 4.1Å; V79-L82 VanDerWaalsContact O-CB 3.29Å; V79-L82 WeakPolarHBondContact O-CB 3.39Å; V79-L82 PolarHBondContact O-N 2.95Å |
| 80 | V | 98.1 | Very high | 97.6 | Very high | 84 Ų | 84 | 28.8 Ų | 28.8 | 51% | 0.509 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.3 | 174.6 | 171 | 0 | 0 | 0 | 0 | 112.4 | T43 L76 F78 P83 | T43-V80 HydrophobicContact CG2-CG2 3.98Å; L76-V80 VanDerWaalsContact O-CG2 3.29Å; L76-V80 WeakPolarHBondContact O-CG2 3.46Å; L76-V80 PolarHBondContact O-N 2.89Å; F78-V80 PolarHBondContact O-N 3.32Å; F78-V80 VanDerWaalsContact O-N 3.15Å; V80-P83 WeakPolarHBondContact O-CD 3.39Å |
| 81 | T | 98.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 34 Ų | 34 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -15.9 | 175.8 | 73.9 | 0 | 0 | 0 | 0 | 113.6 | F78 V79 P83 L84 L108 | F78-T81 WeakPolarHBondContact O-CB 3.06Å; F78-T81 PolarHBondContact O-N 3.02Å; F78-T81 PolarHBondContact O-OG1 2.96Å; V79-T81 PolarHBondContact O-N 3.36Å; T81-P83 VanDerWaalsContact C-CD 3.46Å; T81-L84 VanDerWaalsContact O-CB 3.31Å; T81-L84 WeakPolarHBondContact O-CB 3.29Å; T81-L84 PolarHBondContact O-N 3.28Å; T81-L108 HydrophobicContact CG2-CB 4.26Å; T81-L108 HydrophobicContact CG2-CD1 3.66Å |
| 82 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -33.9 | -174.5 | -73.6 | 174.5 | 0 | 0 | 0 | 115.4 | Y35 V38 F39 F78 V79 L84 W85 A86 Y299 | Y35-L82 HydrophobicContact CD1-CD2 4.31Å; Y35-L82 HydrophobicContact CG-CD2 4.32Å; V38-L82 HydrophobicContact CB-CD1 3.79Å; V38-L82 HydrophobicContact CG1-CD1 3.41Å; V38-L82 VanDerWaalsContact CG1-CD1 3.41Å; F39-L82 HydrophobicContact CB-CB 4.26Å; F78-L82 HydrophobicContact CE1-CD1 4.42Å; F78-L82 HydrophobicContact CE1-CD2 4.43Å; F78-L82 HydrophobicContact CE2-CD2 3.9Å; F78-L82 HydrophobicContact CE2-CG 4.37Å; F78-L82 HydrophobicContact CZ-CD1 4.38Å; F78-L82 HydrophobicContact CZ-CD2 3.62Å; F78-L82 HydrophobicContact CZ-CG 4.11Å; V79-L82 HydrophobicContact CB-CD1 4.08Å; V79-L82 HydrophobicContact CG1-CD1 4.1Å; V79-L82 VanDerWaalsContact O-CB 3.29Å; V79-L82 WeakPolarHBondContact O-CB 3.39Å; V79-L82 PolarHBondContact O-N 2.95Å; L82-L84 PolarHBondContact O-N 3.09Å; L82-W85 CarbonylContact O-C 3.01Å; L82-W85 PolarHBondContact O-N 3.38Å; L82-W85 VanDerWaalsContact O-N 3.11Å; L82-A86 WeakPolarHBondContact O-CB 3.23Å; L82-A86 PolarHBondContact O-N 2.74Å; L82-Y299 HydrophobicContact CD2-CD2 3.54Å; L82-Y299 HydrophobicContact CD2-CE2 4.09Å; L82-Y299 HydrophobicContact CD2-CG 4.28Å |
| 83 | P | 98.5 | Very high | 97.2 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 21% | 0.214 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.5 | -31.3 | 173.6 | -27.6 | 37 | 0 | 0 | 0 | 113.7 | M36 F39 V80 T81 T87 | M36-P83 HydrophobicContact CE-CG 4.43Å; M36-P83 HydrophobicContact SD-CB 3.98Å; M36-P83 HydrophobicContact SD-CG 4.11Å; F39-P83 HydrophobicContact CB-CG 4.38Å; F39-P83 HydrophobicContact CD1-CG 4.03Å; F39-P83 HydrophobicContact CD2-CG 3.87Å; F39-P83 HydrophobicContact CE1-CG 4.26Å; F39-P83 HydrophobicContact CE2-CG 4.1Å; F39-P83 HydrophobicContact CG-CG 3.82Å; F39-P83 HydrophobicContact CZ-CG 4.29Å; V80-P83 WeakPolarHBondContact O-CD 3.39Å; T81-P83 VanDerWaalsContact C-CD 3.46Å; P83-T87 PolarHBondContact O-N 2.86Å; P83-T87 VanDerWaalsContact O-N 3.1Å; P83-T87 PolarHBondContact O-OG1 3.33Å |
| 84 | L | 98.4 | Very high | 97 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.1 | -46.9 | 174.5 | -53.1 | -179 | 0 | 0 | 0 | 110.4 | T81 L82 T87 Y88 W95 F97 | T81-L84 VanDerWaalsContact O-CB 3.31Å; T81-L84 WeakPolarHBondContact O-CB 3.29Å; T81-L84 PolarHBondContact O-N 3.28Å; L82-L84 PolarHBondContact O-N 3.09Å; L84-T87 PolarHBondContact O-N 3.08Å; L84-Y88 WeakPolarHBondContact O-CB 3.44Å; L84-Y88 PolarHBondContact O-N 3.33Å; L84-W95 HydrophobicContact CB-CH2 3.69Å; L84-W95 HydrophobicContact CB-CZ2 4.45Å; L84-W95 HydrophobicContact CB-CZ3 4.22Å; L84-W95 HydrophobicContact CD1-CH2 4.24Å; L84-W95 HydrophobicContact CD1-CZ2 4.42Å; L84-F97 HydrophobicContact CB-CD2 4.11Å; L84-F97 HydrophobicContact CB-CE2 3.93Å; L84-F97 HydrophobicContact CB-CZ 4.47Å; L84-F97 HydrophobicContact CD2-CD1 3.79Å; L84-F97 HydrophobicContact CD2-CD2 3.98Å; L84-F97 HydrophobicContact CD2-CE1 3.72Å; L84-F97 HydrophobicContact CD2-CE2 3.92Å; L84-F97 HydrophobicContact CD2-CG 3.91Å; L84-F97 HydrophobicContact CD2-CZ 3.77Å; L84-F97 WeakPolarHBondContact O-CE2 3.41Å |
| 85 | W | 98.1 | Very high | 97 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 7% | 0.072 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.9 | -35.2 | 177.6 | -65 | 111 | 0 | 0 | 0 | 113 | Y35 L82 T87 Y88 T89 W95 S105 S106 I109 | Y35-W85 HydrophobicContact CD2-CB 4.24Å; Y35-W85 HydrophobicContact CE2-CB 4.25Å; L82-W85 CarbonylContact O-C 3.01Å; L82-W85 PolarHBondContact O-N 3.38Å; L82-W85 VanDerWaalsContact O-N 3.11Å; W85-T87 VanDerWaalsContact C-N 3.35Å; W85-Y88 AromaticContact CE3-CD1 3.84Å; W85-Y88 HydrophobicContact CE3-CD1 3.84Å; W85-Y88 HydrophobicContact CE3-CE1 4.43Å; W85-Y88 HydrophobicContact CE3-CG 4.42Å; W85-Y88 AromaticContact CZ3-CD1 3.98Å; W85-Y88 HydrophobicContact CZ3-CD1 3.98Å; W85-Y88 HydrophobicContact CZ3-CE1 4.15Å; W85-Y88 PolarHBondContact O-N 3.11Å; W85-T89 WeakPolarHBondContact O-CB 3.37Å; W85-T89 PolarHBondContact O-N 2.71Å; W85-T89 PolarHBondContact O-OG1 2.94Å; W85-T89 VanDerWaalsContact O-OG1 3.07Å; W85-W95 HydrophobicContact CD2-CZ3 4.08Å; W85-W95 AromaticContact CE3-CZ3 3.84Å; W85-W95 HydrophobicContact CE3-CZ3 3.84Å; W85-W95 HydrophobicContact CH2-CZ3 4.09Å; W85-W95 HydrophobicContact CZ2-CH2 4.39Å; W85-W95 HydrophobicContact CZ2-CZ3 4.3Å; W85-W95 HydrophobicContact CZ3-CE3 4.35Å; W85-W95 AromaticContact CZ3-CZ3 3.85Å; W85-W95 HydrophobicContact CZ3-CZ3 3.85Å; W85-S105 WeakPolarHBondContact CZ2-OG 3.35Å; W85-S106 WeakPolarHBondContact CH2-OG 3.27Å; W85-I109 HydrophobicContact CD2-CD1 4.22Å; W85-I109 HydrophobicContact CH2-CD1 4.33Å; W85-I109 HydrophobicContact CZ2-CD1 3.44Å; W85-I109 VanDerWaalsContact CZ2-CD1 3.44Å; W85-I109 VanDerWaalsContact NE1-CD1 3.32Å |
| 86 | A | 97.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P32 Y35 M36 L82 Y90 | P32-A86 HydrophobicContact CB-CB 4.21Å; Y35-A86 HydrophobicContact CD2-CB 4.27Å; M36-A86 HydrophobicContact CG-CB 4.18Å; M36-A86 HydrophobicContact SD-CB 4.11Å; L82-A86 WeakPolarHBondContact O-CB 3.23Å; L82-A86 PolarHBondContact O-N 2.74Å; A86-Y90 VanDerWaalsContact O-CB 3.29Å; A86-Y90 WeakPolarHBondContact O-CB 3.27Å; A86-Y90 PolarHBondContact O-N 2.97Å |
| 87 | T | 97.4 | Very high | 96.9 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 33% | 0.325 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 176 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | P83 L84 W85 Y90 R91 P96 F97 | P83-T87 PolarHBondContact O-N 2.86Å; P83-T87 VanDerWaalsContact O-N 3.1Å; P83-T87 PolarHBondContact O-OG1 3.33Å; L84-T87 PolarHBondContact O-N 3.08Å; W85-T87 VanDerWaalsContact C-N 3.35Å; T87-Y90 PolarHBondContact O-N 2.94Å; T87-R91 HydrophobicContact CG2-CG 4.32Å; T87-R91 WeakPolarHBondContact O-CB 3.43Å; T87-R91 WeakPolarHBondContact O-CG 3.42Å; T87-R91 PolarHBondContact O-N 3.37Å; T87-P96 HydrophobicContact CG2-CG 4.42Å; T87-F97 HydrophobicContact CG2-CE2 4.16Å; T87-F97 HydrophobicContact CG2-CZ 3.72Å |
| 88 | Y | 96.8 | Very high | 96.9 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.4 | -49.9 | 176.7 | 178.7 | -113.8 | 0 | 0 | 0 | 112.2 | L84 W85 Y90 R91 Y93 D94 W95 | L84-Y88 WeakPolarHBondContact O-CB 3.44Å; L84-Y88 PolarHBondContact O-N 3.33Å; W85-Y88 AromaticContact CE3-CD1 3.84Å; W85-Y88 HydrophobicContact CE3-CD1 3.84Å; W85-Y88 HydrophobicContact CE3-CE1 4.43Å; W85-Y88 HydrophobicContact CE3-CG 4.42Å; W85-Y88 AromaticContact CZ3-CD1 3.98Å; W85-Y88 HydrophobicContact CZ3-CD1 3.98Å; W85-Y88 HydrophobicContact CZ3-CE1 4.15Å; W85-Y88 PolarHBondContact O-N 3.11Å; Y88-Y90 VanDerWaalsContact C-N 3.34Å; Y88-Y90 PolarHBondContact O-N 3.25Å; Y88-R91 PolarHBondContact O-N 2.96Å; Y88-Y93 HydrophobicContact CD1-CD1 4.09Å; Y88-Y93 AromaticContact CE1-CD1 3.44Å; Y88-Y93 HydrophobicContact CE1-CD1 3.44Å; Y88-Y93 VanDerWaalsContact CE1-CD1 3.44Å; Y88-Y93 HydrophobicContact CE1-CE1 4.31Å; Y88-Y93 HydrophobicContact CE1-CG 4.21Å; Y88-Y93 WeakPolarHBondContact CE2-O 3.4Å; Y88-Y93 AromaticContact CZ-CD1 3.89Å; Y88-Y93 VanDerWaalsContact O-CA 3.3Å; Y88-Y93 WeakPolarHBondContact O-CA 3.35Å; Y88-Y93 PolarHBondContact O-N 3.03Å; Y88-D94 WeakPolarHBondContact CD2-O 3.24Å; Y88-W95 HydrophobicContact CD2-CB 3.78Å; Y88-W95 HydrophobicContact CD2-CD2 4.43Å; Y88-W95 AromaticContact CD2-CE3 3.68Å; Y88-W95 HydrophobicContact CD2-CE3 3.68Å; Y88-W95 HydrophobicContact CE2-CB 3.87Å; Y88-W95 HydrophobicContact CE2-CE3 4.33Å; Y88-W95 AromaticContact CG-CE3 3.82Å; Y88-W95 HydrophobicContact CG-CE3 3.82Å; Y88-W95 HydrophobicContact CG-CZ3 4.37Å |
| 89 | T | 95.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.9 | -31.8 | 178.7 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | S26 I31 P32 W85 | S26-T89 VanDerWaalsContact CB-O 3.25Å; S26-T89 WeakPolarHBondContact CB-O 3.44Å; S26-T89 PolarHBondContact OG-O 2.96Å; I31-T89 HydrophobicContact CB-CG2 4.26Å; I31-T89 HydrophobicContact CG2-CG2 4Å; P32-T89 HydrophobicContact CG-CG2 4.15Å; W85-T89 WeakPolarHBondContact O-CB 3.37Å; W85-T89 PolarHBondContact O-N 2.71Å; W85-T89 PolarHBondContact O-OG1 2.94Å; W85-T89 VanDerWaalsContact O-OG1 3.07Å |
| 90 | Y | 95.7 | Very high | 96.8 | Very high | 151 Ų | 151 | 49.6 Ų | 49.6 | 59% | 0.592 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -74 | -31.6 | 176.8 | -169.9 | -100.7 | 0 | 0 | 0 | 112.7 | A29 P32 A86 T87 Y88 D92 | A29-Y90 HydrophobicContact CB-CE2 4.45Å; P32-Y90 HydrophobicContact CB-CD2 4.49Å; P32-Y90 HydrophobicContact CG-CD2 4.18Å; A86-Y90 VanDerWaalsContact O-CB 3.29Å; A86-Y90 WeakPolarHBondContact O-CB 3.27Å; A86-Y90 PolarHBondContact O-N 2.97Å; T87-Y90 PolarHBondContact O-N 2.94Å; Y88-Y90 VanDerWaalsContact C-N 3.34Å; Y88-Y90 PolarHBondContact O-N 3.25Å; Y90-D92 PolarHBondContact O-N 2.93Å |
| 91 | R | 94.3 | Very high | 96.8 | Very high | 120 Ų | 120 | 47.3 Ų | 47.3 | 45% | 0.453 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 29.8 | 177.8 | -65.2 | 176.2 | 66.5 | 124.4 | -1 | 113.1 | T87 Y88 Y93 D94 | T87-R91 HydrophobicContact CG2-CG 4.32Å; T87-R91 WeakPolarHBondContact O-CB 3.43Å; T87-R91 WeakPolarHBondContact O-CG 3.42Å; T87-R91 PolarHBondContact O-N 3.37Å; Y88-R91 PolarHBondContact O-N 2.96Å; R91-Y93 VanDerWaalsContact C-N 3.27Å; R91-Y93 PolarHBondContact O-N 2.95Å; R91-D94 HydrophobicContact CB-CB 4.05Å; R91-D94 IonicContact CZ-OD2 3.32Å; R91-D94 VanDerWaalsContact CZ-OD2 3.32Å; R91-D94 IonicContact NE-OD2 3.06Å; R91-D94 PolarHBondContact NE-OD2 3.01Å; R91-D94 IonicContact NH2-OD2 2.76Å; R91-D94 PolarHBondContact NH2-OD2 3.21Å; R91-D94 WeakPolarHBondContact O-CB 3.28Å; R91-D94 PolarHBondContact O-N 3.28Å |
| 92 | D | 92.7 | Very high | 96.8 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 34% | 0.337 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 48.3 | -177.4 | -60.9 | -51.3 | 0 | 0 | 0 | 113.2 | S26 Y90 K178 | S26-D92 WeakPolarHBondContact CB-OD1 3.35Å; S26-D92 PolarHBondContact N-OD1 3.47Å; Y90-D92 PolarHBondContact O-N 2.93Å; D92-K178 PolarHBondContact O-NZ 3.24Å |
| 93 | Y | 93.7 | Very high | 96.8 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 11% | 0.114 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 31.7 | 177.4 | -56.1 | -96.7 | 0 | 0 | 0 | 114.6 | W24 Y88 R91 P292 | W24-Y93 HydrophobicContact CB-CD2 3.54Å; W24-Y93 HydrophobicContact CB-CE2 3.7Å; W24-Y93 HydrophobicContact CB-CG 4.04Å; Y88-Y93 HydrophobicContact CD1-CD1 4.09Å; Y88-Y93 AromaticContact CE1-CD1 3.44Å; Y88-Y93 HydrophobicContact CE1-CD1 3.44Å; Y88-Y93 VanDerWaalsContact CE1-CD1 3.44Å; Y88-Y93 HydrophobicContact CE1-CE1 4.31Å; Y88-Y93 HydrophobicContact CE1-CG 4.21Å; Y88-Y93 WeakPolarHBondContact CE2-O 3.4Å; Y88-Y93 AromaticContact CZ-CD1 3.89Å; Y88-Y93 VanDerWaalsContact O-CA 3.3Å; Y88-Y93 WeakPolarHBondContact O-CA 3.35Å; Y88-Y93 PolarHBondContact O-N 3.03Å; R91-Y93 VanDerWaalsContact C-N 3.27Å; R91-Y93 PolarHBondContact O-N 2.95Å; Y93-P292 WeakPolarHBondContact OH-CG 3.47Å |
| 94 | D | 94.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | trans | -95.5 | 126.7 | 168.5 | 175.7 | 49.1 | 0 | 0 | 0 | 111.4 | Y88 R91 P96 K178 V179 | Y88-D94 WeakPolarHBondContact CD2-O 3.24Å; R91-D94 HydrophobicContact CB-CB 4.05Å; R91-D94 IonicContact CZ-OD2 3.32Å; R91-D94 VanDerWaalsContact CZ-OD2 3.32Å; R91-D94 IonicContact NE-OD2 3.06Å; R91-D94 PolarHBondContact NE-OD2 3.01Å; R91-D94 IonicContact NH2-OD2 2.76Å; R91-D94 PolarHBondContact NH2-OD2 3.21Å; R91-D94 WeakPolarHBondContact O-CB 3.28Å; R91-D94 PolarHBondContact O-N 3.28Å; D94-P96 WeakPolarHBondContact O-CD 3.27Å; D94-K178 HydrophobicContact CB-CB 4.38Å; D94-K178 HydrophobicContact CB-CG 4.44Å; D94-V179 PolarHBondContact OD1-N 3.02Å; D94-V179 VanDerWaalsContact OD1-N 3.16Å | ||
| 95 | W | 97.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | trans | -105.8 | 96.3 | -172.6 | -174.6 | -90.7 | 0 | 0 | 0 | 112.4 | L84 W85 Y88 F97 G98 C102 S105 T170 V179 C181 | L84-W95 HydrophobicContact CB-CH2 3.69Å; L84-W95 HydrophobicContact CB-CZ2 4.45Å; L84-W95 HydrophobicContact CB-CZ3 4.22Å; L84-W95 HydrophobicContact CD1-CH2 4.24Å; L84-W95 HydrophobicContact CD1-CZ2 4.42Å; W85-W95 HydrophobicContact CD2-CZ3 4.08Å; W85-W95 AromaticContact CE3-CZ3 3.84Å; W85-W95 HydrophobicContact CE3-CZ3 3.84Å; W85-W95 HydrophobicContact CH2-CZ3 4.09Å; W85-W95 HydrophobicContact CZ2-CH2 4.39Å; W85-W95 HydrophobicContact CZ2-CZ3 4.3Å; W85-W95 HydrophobicContact CZ3-CE3 4.35Å; W85-W95 AromaticContact CZ3-CZ3 3.85Å; W85-W95 HydrophobicContact CZ3-CZ3 3.85Å; Y88-W95 HydrophobicContact CD2-CB 3.78Å; Y88-W95 HydrophobicContact CD2-CD2 4.43Å; Y88-W95 AromaticContact CD2-CE3 3.68Å; Y88-W95 HydrophobicContact CD2-CE3 3.68Å; Y88-W95 HydrophobicContact CE2-CB 3.87Å; Y88-W95 HydrophobicContact CE2-CE3 4.33Å; Y88-W95 AromaticContact CG-CE3 3.82Å; Y88-W95 HydrophobicContact CG-CE3 3.82Å; Y88-W95 HydrophobicContact CG-CZ3 4.37Å; W95-F97 AromaticContact CD2-CD2 4Å; W95-F97 HydrophobicContact CD2-CD2 4Å; W95-F97 AromaticContact CE2-CD2 3.78Å; W95-F97 HydrophobicContact CE3-CD2 4.25Å; W95-F97 HydrophobicContact CH2-CD2 4.09Å; W95-F97 HydrophobicContact CZ2-CB 4Å; W95-F97 AromaticContact CZ2-CD2 3.81Å; W95-F97 HydrophobicContact CZ2-CD2 3.81Å; W95-F97 HydrophobicContact CZ2-CG 4.35Å; W95-F97 HydrophobicContact CZ3-CD2 4.29Å; W95-F97 PolarHBondContact O-N 3.38Å; W95-G98 PolarHBondContact NE1-O 3.25Å; W95-C102 HydrophobicContact CD2-CB 4.44Å; W95-C102 HydrophobicContact CZ2-CB 4.24Å; W95-S105 VanDerWaalsContact CH2-OG 3.3Å; W95-S105 WeakPolarHBondContact CH2-OG 3.5Å; W95-T170 HydrophobicContact CG-CG2 4.36Å; W95-V179 WeakPolarHBondContact CA-O 3.46Å; W95-V179 WeakPolarHBondContact CB-O 3.47Å; W95-V179 PolarHBondContact N-O 2.79Å; W95-C181 HydrophobicContact CB-CB 4.01Å; W95-C181 HydrophobicContact CD2-CB 3.8Å; W95-C181 HydrophobicContact CE3-CB 3.99Å; W95-C181 HydrophobicContact CG-CB 3.79Å | ||
| 96 | P | 96.8 | Very high | 96.8 | Very high | 61 Ų | 61 | 48.3 Ų | 48.3 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 5.6 | -174.4 | 35.8 | -39.2 | 0 | 0 | 0 | 114.8 | T87 D94 | T87-P96 HydrophobicContact CG2-CG 4.42Å; D94-P96 WeakPolarHBondContact O-CD 3.27Å |
| 97 | F | 97.9 | Very high | 96.9 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 6.4 | -168.7 | -50.2 | -72.5 | 0 | 0 | 0 | 114.7 | L84 T87 W95 S101 | L84-F97 HydrophobicContact CB-CD2 4.11Å; L84-F97 HydrophobicContact CB-CE2 3.93Å; L84-F97 HydrophobicContact CB-CZ 4.47Å; L84-F97 HydrophobicContact CD2-CD1 3.79Å; L84-F97 HydrophobicContact CD2-CD2 3.98Å; L84-F97 HydrophobicContact CD2-CE1 3.72Å; L84-F97 HydrophobicContact CD2-CE2 3.92Å; L84-F97 HydrophobicContact CD2-CG 3.91Å; L84-F97 HydrophobicContact CD2-CZ 3.77Å; L84-F97 WeakPolarHBondContact O-CE2 3.41Å; T87-F97 HydrophobicContact CG2-CE2 4.16Å; T87-F97 HydrophobicContact CG2-CZ 3.72Å; W95-F97 AromaticContact CD2-CD2 4Å; W95-F97 HydrophobicContact CD2-CD2 4Å; W95-F97 AromaticContact CE2-CD2 3.78Å; W95-F97 HydrophobicContact CE3-CD2 4.25Å; W95-F97 HydrophobicContact CH2-CD2 4.09Å; W95-F97 HydrophobicContact CZ2-CB 4Å; W95-F97 AromaticContact CZ2-CD2 3.81Å; W95-F97 HydrophobicContact CZ2-CD2 3.81Å; W95-F97 HydrophobicContact CZ2-CG 4.35Å; W95-F97 HydrophobicContact CZ3-CD2 4.29Å; W95-F97 PolarHBondContact O-N 3.38Å; F97-S101 VanDerWaalsContact O-CB 3.26Å; F97-S101 WeakPolarHBondContact O-CB 3.44Å; F97-S101 PolarHBondContact O-OG 2.64Å |
| 98 | G | 97.2 | Very high | 96.9 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 38% | 0.381 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | 73.8 | 170.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | W95 F100 S101 C102 | W95-G98 PolarHBondContact NE1-O 3.25Å; G98-F100 PolarHBondContact O-N 3.03Å; G98-S101 PolarHBondContact O-N 3.48Å; G98-C102 PolarHBondContact O-N 3.41Å; G98-C102 VanDerWaalsContact O-N 3.16Å |
| 99 | T | 97.7 | Very high | 96.9 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 34% | 0.344 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.5 | -39.7 | -172.5 | -40.6 | 0 | 0 | 0 | 0 | 113.3 | S101 C102 K103 T170 | T99-S101 PolarHBondContact O-N 3.47Å; T99-C102 WeakPolarHBondContact O-CB 3.35Å; T99-C102 PolarHBondContact O-N 3.2Å; T99-K103 HydrophobicContact CG2-CD 4.42Å; T99-K103 WeakPolarHBondContact O-CG 3.47Å; T99-K103 PolarHBondContact O-N 3.49Å; T99-T170 PolarHBondContact OG1-OG1 3.33Å |
| 100 | F | 98.2 | Very high | 97 | Very high | 145 Ų | 145 | 49.8 Ų | 49.8 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.6 | -48 | 179.5 | 175.6 | -98.1 | 0 | 0 | 0 | 111.6 | G98 C102 K103 L104 | G98-F100 PolarHBondContact O-N 3.03Å; F100-C102 VanDerWaalsContact C-N 3.34Å; F100-C102 PolarHBondContact O-N 2.9Å; F100-K103 PolarHBondContact O-N 3.43Å; F100-L104 HydrophobicContact CE1-CD2 3.83Å; F100-L104 HydrophobicContact CZ-CD2 3.93Å; F100-L104 WeakPolarHBondContact O-CB 3.4Å; F100-L104 PolarHBondContact O-N 2.84Å |
| 101 | S | 98 | Very high | 97.1 | Very high | 35 Ų | 35 | 43 Ų | 43 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -37.6 | 178.6 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | F97 G98 T99 S105 | F97-S101 VanDerWaalsContact O-CB 3.26Å; F97-S101 WeakPolarHBondContact O-CB 3.44Å; F97-S101 PolarHBondContact O-OG 2.64Å; G98-S101 PolarHBondContact O-N 3.48Å; T99-S101 PolarHBondContact O-N 3.47Å; S101-S105 WeakPolarHBondContact O-CB 3.46Å; S101-S105 PolarHBondContact O-N 3.2Å; S101-S105 PolarHBondContact O-OG 3.33Å |
| 102 | C | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 174.7 | 166.9 | 0 | 0 | 0 | 0 | 111 | W95 G98 T99 F100 S105 S106 T169 T170 C181 | W95-C102 HydrophobicContact CD2-CB 4.44Å; W95-C102 HydrophobicContact CZ2-CB 4.24Å; G98-C102 PolarHBondContact O-N 3.41Å; G98-C102 VanDerWaalsContact O-N 3.16Å; T99-C102 WeakPolarHBondContact O-CB 3.35Å; T99-C102 PolarHBondContact O-N 3.2Å; F100-C102 VanDerWaalsContact C-N 3.34Å; F100-C102 PolarHBondContact O-N 2.9Å; C102-S105 PolarHBondContact O-OG 3.24Å; C102-S106 WeakPolarHBondContact O-CB 3.37Å; C102-S106 PolarHBondContact O-N 3.05Å; C102-S106 VanDerWaalsContact O-N 3.11Å; C102-S106 PolarHBondContact O-OG 2.88Å; C102-T169 PolarHBondContact SG-O 3.41Å; C102-T170 HydrophobicContact CB-CG2 3.72Å; C102-C181 VanDerWaalsContact CA-SG 3.53Å; C102-C181 HydrophobicContact CB-CB 3.82Å; C102-C181 WeakPolarHBondContact CB-SG 3.29Å; C102-C181 VanDerWaalsContact SG-CA 3.56Å; C102-C181 WeakPolarHBondContact SG-CB 3.41Å; C102-C181 CovalentContact SG-SG 2.03Å; C102-C181 PolarHBondContact SG-SG 3.28Å |
| 103 | K | 98.5 | Very high | 97.5 | Very high | 62 Ų | 62 | 34.4 Ų | 34.4 | 27% | 0.27 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.8 | -54.1 | 176.8 | -76 | -174 | 166.2 | -162.4 | 0 | 112 | T99 F100 Y107 M165 V166 R168 | T99-K103 HydrophobicContact CG2-CD 4.42Å; T99-K103 WeakPolarHBondContact O-CG 3.47Å; T99-K103 PolarHBondContact O-N 3.49Å; F100-K103 PolarHBondContact O-N 3.43Å; K103-Y107 WeakPolarHBondContact O-CB 3.29Å; K103-Y107 PolarHBondContact O-N 2.92Å; K103-M165 HydrophobicContact CB-CE 4.2Å; K103-M165 HydrophobicContact CB-SD 3.84Å; K103-M165 WeakPolarHBondContact CD-O 3.43Å; K103-M165 WeakPolarHBondContact CE-O 3.45Å; K103-V166 PolarHBondContact NZ-O 2.87Å; K103-R168 WeakPolarHBondContact CE-O 3.35Å; K103-R168 HydrophobicContact CG-CB 4.08Å; K103-R168 WeakPolarHBondContact CG-O 3.24Å |
| 104 | L | 98.4 | Very high | 97.7 | Very high | 66 Ų | 66 | 33.5 Ų | 33.5 | 35% | 0.346 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.7 | -47.3 | -175.1 | -179.9 | 61.7 | 0 | 0 | 0 | 112.3 | F100 Y107 L108 | F100-L104 HydrophobicContact CE1-CD2 3.83Å; F100-L104 HydrophobicContact CZ-CD2 3.93Å; F100-L104 WeakPolarHBondContact O-CB 3.4Å; F100-L104 PolarHBondContact O-N 2.84Å; L104-Y107 PolarHBondContact O-N 3.38Å; L104-L108 HydrophobicContact CD1-CD1 4.18Å; L104-L108 HydrophobicContact CD1-CG 4.3Å; L104-L108 HydrophobicContact CG-CD1 4.17Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 3.48Å; L104-L108 PolarHBondContact O-N 3.01Å |
| 105 | S | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | -179 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | W85 W95 S101 C102 L108 I109 | W85-S105 WeakPolarHBondContact CZ2-OG 3.35Å; W95-S105 VanDerWaalsContact CH2-OG 3.3Å; W95-S105 WeakPolarHBondContact CH2-OG 3.5Å; S101-S105 WeakPolarHBondContact O-CB 3.46Å; S101-S105 PolarHBondContact O-N 3.2Å; S101-S105 PolarHBondContact O-OG 3.33Å; C102-S105 PolarHBondContact O-OG 3.24Å; S105-L108 PolarHBondContact O-N 3.4Å; S105-I109 WeakPolarHBondContact O-CG1 3.14Å; S105-I109 PolarHBondContact O-N 2.92Å; S105-I109 VanDerWaalsContact O-N 3.16Å |
| 106 | S | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 174.7 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | W85 C102 L108 I109 F110 R168 | W85-S106 WeakPolarHBondContact CH2-OG 3.27Å; C102-S106 WeakPolarHBondContact O-CB 3.37Å; C102-S106 PolarHBondContact O-N 3.05Å; C102-S106 VanDerWaalsContact O-N 3.11Å; C102-S106 PolarHBondContact O-OG 2.88Å; S106-L108 VanDerWaalsContact C-N 3.35Å; S106-L108 PolarHBondContact O-N 2.74Å; S106-I109 WeakPolarHBondContact O-CB 3.32Å; S106-I109 PolarHBondContact O-N 3.5Å; S106-F110 WeakPolarHBondContact O-CD2 3.39Å; S106-F110 PolarHBondContact O-N 3.42Å; S106-R168 PolarHBondContact OG-NE 3.16Å |
| 107 | Y | 98.4 | Very high | 97.8 | Very high | 43 Ų | 43 | 29.1 Ų | 29.1 | 17% | 0.169 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 175.4 | 173.6 | -105.8 | 0 | 0 | 0 | 111.5 | K103 L104 I109 F110 V111 A158 A161 M162 M165 | K103-Y107 WeakPolarHBondContact O-CB 3.29Å; K103-Y107 PolarHBondContact O-N 2.92Å; L104-Y107 PolarHBondContact O-N 3.38Å; Y107-I109 VanDerWaalsContact C-N 3.3Å; Y107-I109 PolarHBondContact O-N 3.05Å; Y107-F110 PolarHBondContact O-N 3.27Å; Y107-F110 VanDerWaalsContact O-N 3.14Å; Y107-V111 HydrophobicContact CD1-CG2 3.96Å; Y107-V111 HydrophobicContact CD2-CG2 4.09Å; Y107-V111 HydrophobicContact CE1-CG2 3.52Å; Y107-V111 HydrophobicContact CE2-CG2 3.67Å; Y107-V111 HydrophobicContact CG-CG2 4.23Å; Y107-V111 WeakPolarHBondContact O-CG2 3.45Å; Y107-V111 PolarHBondContact O-N 3.45Å; Y107-A158 WeakPolarHBondContact OH-CA 3.37Å; Y107-A158 WeakPolarHBondContact OH-CB 3.38Å; Y107-A161 HydrophobicContact CD2-CB 3.71Å; Y107-A161 WeakPolarHBondContact CD2-O 3.42Å; Y107-A161 HydrophobicContact CE2-CB 3.56Å; Y107-M162 HydrophobicContact CE2-SD 4.12Å; Y107-M165 HydrophobicContact CD2-CB 3.8Å; Y107-M165 HydrophobicContact CE2-CB 4.48Å; Y107-M165 HydrophobicContact CG-CB 4.21Å; Y107-M165 HydrophobicContact CG-SD 4.21Å |
| 108 | L | 98.3 | Very high | 97.8 | Very high | 34 Ų | 34 | 27.6 Ų | 27.6 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -30.8 | 179.2 | -71.7 | 173.5 | 0 | 0 | 0 | 113.4 | T81 L104 S105 S106 N112 | T81-L108 HydrophobicContact CG2-CB 4.26Å; T81-L108 HydrophobicContact CG2-CD1 3.66Å; L104-L108 HydrophobicContact CD1-CD1 4.18Å; L104-L108 HydrophobicContact CD1-CG 4.3Å; L104-L108 HydrophobicContact CG-CD1 4.17Å; L104-L108 VanDerWaalsContact O-CG 3.31Å; L104-L108 WeakPolarHBondContact O-CG 3.48Å; L104-L108 PolarHBondContact O-N 3.01Å; S105-L108 PolarHBondContact O-N 3.4Å; S106-L108 VanDerWaalsContact C-N 3.35Å; S106-L108 PolarHBondContact O-N 2.74Å; L108-N112 WeakPolarHBondContact O-CB 3.22Å; L108-N112 PolarHBondContact O-N 2.86Å |
| 109 | I | 97.1 | Very high | 97.7 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 8% | 0.077 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.4 | -50.6 | 171 | -71.8 | 159.6 | 0 | 0 | 0 | 110.9 | F78 W85 S105 S106 Y107 N112 M113 Y299 | F78-I109 HydrophobicContact CD2-CB 4.47Å; F78-I109 HydrophobicContact CD2-CG1 3.75Å; F78-I109 HydrophobicContact CE2-CG1 3.61Å; W85-I109 HydrophobicContact CD2-CD1 4.22Å; W85-I109 HydrophobicContact CH2-CD1 4.33Å; W85-I109 HydrophobicContact CZ2-CD1 3.44Å; W85-I109 VanDerWaalsContact CZ2-CD1 3.44Å; W85-I109 VanDerWaalsContact NE1-CD1 3.32Å; S105-I109 WeakPolarHBondContact O-CG1 3.14Å; S105-I109 PolarHBondContact O-N 2.92Å; S105-I109 VanDerWaalsContact O-N 3.16Å; S106-I109 WeakPolarHBondContact O-CB 3.32Å; S106-I109 PolarHBondContact O-N 3.5Å; Y107-I109 VanDerWaalsContact C-N 3.3Å; Y107-I109 PolarHBondContact O-N 3.05Å; I109-N112 PolarHBondContact O-N 3.22Å; I109-M113 PolarHBondContact O-N 3.06Å; I109-Y299 VanDerWaalsContact CD1-OH 3.25Å; I109-Y299 WeakPolarHBondContact CD1-OH 3.27Å; I109-Y299 HydrophobicContact CG2-CE1 4.16Å |
| 110 | F | 97.2 | Very high | 97.6 | Very high | 25 Ų | 25 | 23.4 Ų | 23.4 | 11% | 0.11 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -72.2 | -39 | -176.8 | -79.8 | -101.3 | 0 | 0 | 0 | 112 | S106 Y107 N112 M113 Y114 A161 V164 | S106-F110 WeakPolarHBondContact O-CD2 3.39Å; S106-F110 PolarHBondContact O-N 3.42Å; Y107-F110 PolarHBondContact O-N 3.27Å; Y107-F110 VanDerWaalsContact O-N 3.14Å; F110-N112 VanDerWaalsContact C-N 3.29Å; F110-N112 PolarHBondContact O-N 2.88Å; F110-M113 HydrophobicContact CD1-CE 3.87Å; F110-M113 HydrophobicContact CE1-CE 4.34Å; F110-M113 PolarHBondContact O-N 3.41Å; F110-Y114 HydrophobicContact CB-CD2 4.45Å; F110-Y114 HydrophobicContact CB-CE2 4.16Å; F110-Y114 HydrophobicContact CD1-CE2 4.14Å; F110-Y114 WeakPolarHBondContact O-CD2 3.36Å; F110-Y114 PolarHBondContact O-N 3.5Å; F110-A161 HydrophobicContact CB-CB 3.75Å; F110-V164 HydrophobicContact CB-CG2 4.37Å; F110-V164 HydrophobicContact CD1-CG2 3.94Å; F110-V164 HydrophobicContact CD2-CB 4.26Å; F110-V164 HydrophobicContact CD2-CG1 3.91Å; F110-V164 HydrophobicContact CD2-CG2 3.67Å; F110-V164 HydrophobicContact CE1-CG2 4.05Å; F110-V164 HydrophobicContact CE2-CG1 4.1Å; F110-V164 HydrophobicContact CE2-CG2 3.79Å; F110-V164 HydrophobicContact CG-CG2 3.73Å; F110-V164 HydrophobicContact CZ-CG2 3.97Å |
| 111 | V | 98.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 5% | 0.048 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 171.1 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | Y107 Y114 A115 W154 A161 | Y107-V111 HydrophobicContact CD1-CG2 3.96Å; Y107-V111 HydrophobicContact CD2-CG2 4.09Å; Y107-V111 HydrophobicContact CE1-CG2 3.52Å; Y107-V111 HydrophobicContact CE2-CG2 3.67Å; Y107-V111 HydrophobicContact CG-CG2 4.23Å; Y107-V111 WeakPolarHBondContact O-CG2 3.45Å; Y107-V111 PolarHBondContact O-N 3.45Å; V111-Y114 PolarHBondContact O-N 2.83Å; V111-A115 WeakPolarHBondContact O-CB 3.28Å; V111-A115 PolarHBondContact O-N 3.39Å; V111-W154 HydrophobicContact CG1-CZ3 4.08Å; V111-A161 HydrophobicContact CG2-CB 3.58Å |
| 112 | N | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 177.7 | 177.2 | 56.4 | 0 | 0 | 0 | 112.4 | A74 D75 F78 L108 I109 F110 Y114 S116 S302 | A74-N112 PolarHBondContact O-OD1 3.01Å; D75-N112 PolarHBondContact N-OD1 3.13Å; D75-N112 PolarHBondContact OD1-OD1 2.89Å; F78-N112 HydrophobicContact CB-CB 3.52Å; F78-N112 VanDerWaalsContact CD1-ND2 3.3Å; F78-N112 WeakPolarHBondContact CD1-ND2 3.38Å; F78-N112 HydrophobicContact CG-CB 4.04Å; L108-N112 WeakPolarHBondContact O-CB 3.22Å; L108-N112 PolarHBondContact O-N 2.86Å; I109-N112 PolarHBondContact O-N 3.22Å; F110-N112 VanDerWaalsContact C-N 3.29Å; F110-N112 PolarHBondContact O-N 2.88Å; N112-Y114 PolarHBondContact O-N 3.23Å; N112-S116 WeakPolarHBondContact O-CB 3.49Å; N112-S116 PolarHBondContact O-N 3.32Å; N112-S116 PolarHBondContact O-OG 3.17Å; N112-S116 PolarHBondContact OD1-OG 3.09Å; N112-S302 PolarHBondContact ND2-OG 2.73Å |
| 113 | M | 96.8 | Very high | 97 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.5 | -53.6 | 176.6 | -178.4 | -176.4 | 75.3 | 0 | 0 | 111.4 | I109 F110 V117 S205 W261 | I109-M113 PolarHBondContact O-N 3.06Å; F110-M113 HydrophobicContact CD1-CE 3.87Å; F110-M113 HydrophobicContact CE1-CE 4.34Å; F110-M113 PolarHBondContact O-N 3.41Å; M113-V117 PolarHBondContact O-N 3.18Å; M113-V117 VanDerWaalsContact O-N 3.11Å; M113-S205 WeakPolarHBondContact CE-OG 3.45Å; M113-W261 HydrophobicContact CB-CH2 3.56Å; M113-W261 HydrophobicContact CB-CZ2 4.06Å; M113-W261 HydrophobicContact CB-CZ3 4.02Å; M113-W261 HydrophobicContact CG-CE3 3.98Å; M113-W261 HydrophobicContact CG-CH2 3.53Å; M113-W261 HydrophobicContact CG-CZ2 4.08Å; M113-W261 HydrophobicContact CG-CZ3 3.47Å; M113-W261 VanDerWaalsContact CG-CZ3 3.47Å; M113-W261 HydrophobicContact SD-CE3 4.06Å; M113-W261 HydrophobicContact SD-CH2 3.98Å; M113-W261 HydrophobicContact SD-CZ3 3.42Å; M113-W261 WeakPolarHBondContact SD-CZ3 3.45Å |
| 114 | Y | 97.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 13.6 Ų | 13.6 | 4% | 0.039 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.8 | -47.3 | -178.7 | -65 | -50 | 0 | 0 | 0 | 112.4 | F110 V111 N112 S116 V117 F118 L160 A161 S205 V208 | F110-Y114 HydrophobicContact CB-CD2 4.45Å; F110-Y114 HydrophobicContact CB-CE2 4.16Å; F110-Y114 HydrophobicContact CD1-CE2 4.14Å; F110-Y114 WeakPolarHBondContact O-CD2 3.36Å; F110-Y114 PolarHBondContact O-N 3.5Å; V111-Y114 PolarHBondContact O-N 2.83Å; N112-Y114 PolarHBondContact O-N 3.23Å; Y114-S116 VanDerWaalsContact C-N 3.32Å; Y114-S116 PolarHBondContact O-N 3.44Å; Y114-V117 WeakPolarHBondContact O-CG1 3.45Å; Y114-V117 PolarHBondContact O-N 3.29Å; Y114-F118 HydrophobicContact CD1-CZ 4.37Å; Y114-F118 WeakPolarHBondContact O-CB 3.22Å; Y114-F118 WeakPolarHBondContact O-CD2 3.48Å; Y114-F118 WeakPolarHBondContact O-CG 3.48Å; Y114-F118 PolarHBondContact O-N 2.89Å; Y114-L160 HydrophobicContact CD1-CD1 4.47Å; Y114-L160 HydrophobicContact CD2-CB 3.77Å; Y114-L160 HydrophobicContact CE2-CB 3.63Å; Y114-L160 HydrophobicContact CG-CB 4.32Å; Y114-A161 HydrophobicContact CD2-CB 4.3Å; Y114-A161 HydrophobicContact CE2-CB 4.37Å; Y114-S205 WeakPolarHBondContact OH-CA 3.45Å; Y114-S205 WeakPolarHBondContact OH-CB 3.32Å; Y114-S205 PolarHBondContact OH-OG 2.93Å; Y114-V208 HydrophobicContact CE1-CB 4.5Å; Y114-V208 HydrophobicContact CE1-CG1 4.47Å |
| 115 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A74 V111 C119 W154 A157 | A74-A115 HydrophobicContact CB-CB 3.9Å; V111-A115 WeakPolarHBondContact O-CB 3.28Å; V111-A115 PolarHBondContact O-N 3.39Å; A115-C119 VanDerWaalsContact O-CB 3.31Å; A115-C119 WeakPolarHBondContact O-CB 3.32Å; A115-C119 PolarHBondContact O-N 3.23Å; A115-C119 PolarHBondContact O-SG 2.87Å; A115-W154 HydrophobicContact CB-CE3 4.48Å; A115-W154 HydrophobicContact CB-CH2 4.45Å; A115-W154 HydrophobicContact CB-CZ3 4.31Å; A115-A157 HydrophobicContact CB-CB 3.99Å |
| 116 | S | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.4 | -51 | 177.9 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | L71 N112 Y114 F118 C119 L120 | L71-S116 WeakPolarHBondContact CD1-OG 3.43Å; N112-S116 WeakPolarHBondContact O-CB 3.49Å; N112-S116 PolarHBondContact O-N 3.32Å; N112-S116 PolarHBondContact O-OG 3.17Å; N112-S116 PolarHBondContact OD1-OG 3.09Å; Y114-S116 VanDerWaalsContact C-N 3.32Å; Y114-S116 PolarHBondContact O-N 3.44Å; S116-F118 PolarHBondContact O-N 3.22Å; S116-C119 PolarHBondContact O-N 3.06Å; S116-L120 WeakPolarHBondContact O-CG 3.45Å; S116-L120 PolarHBondContact O-N 3.3Å |
| 117 | V | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | -178.6 | 79.5 | 0 | 0 | 0 | 0 | 111.6 | M113 Y114 C119 L120 T121 P213 F257 | M113-V117 PolarHBondContact O-N 3.18Å; M113-V117 VanDerWaalsContact O-N 3.11Å; Y114-V117 WeakPolarHBondContact O-CG1 3.45Å; Y114-V117 PolarHBondContact O-N 3.29Å; V117-C119 PolarHBondContact O-N 3.21Å; V117-L120 PolarHBondContact O-N 2.75Å; V117-T121 PolarHBondContact O-N 2.85Å; V117-T121 PolarHBondContact O-OG1 2.98Å; V117-T121 VanDerWaalsContact O-OG1 3.06Å; V117-P213 HydrophobicContact CB-CB 4.36Å; V117-P213 HydrophobicContact CB-CG 4.46Å; V117-P213 HydrophobicContact CG1-CB 4.21Å; V117-P213 HydrophobicContact CG1-CG 3.81Å; V117-P213 HydrophobicContact CG2-CB 3.32Å; V117-P213 HydrophobicContact CG2-CG 3.78Å; V117-F257 HydrophobicContact CB-CE1 4.12Å; V117-F257 HydrophobicContact CB-CE2 4.11Å; V117-F257 HydrophobicContact CB-CZ 3.56Å; V117-F257 HydrophobicContact CG2-CD1 4.43Å; V117-F257 HydrophobicContact CG2-CE1 3.55Å; V117-F257 HydrophobicContact CG2-CE2 4.4Å; V117-F257 HydrophobicContact CG2-CZ 3.55Å |
| 118 | F | 96.9 | Very high | 95.3 | Very high | 35 Ų | 35 | 15.5 Ų | 15.5 | 15% | 0.154 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.5 | -35.1 | 176.3 | -60.3 | -25.9 | 0 | 0 | 0 | 112.6 | Y114 S116 T121 G122 L153 L156 A157 L160 V208 P213 | Y114-F118 HydrophobicContact CD1-CZ 4.37Å; Y114-F118 WeakPolarHBondContact O-CB 3.22Å; Y114-F118 WeakPolarHBondContact O-CD2 3.48Å; Y114-F118 WeakPolarHBondContact O-CG 3.48Å; Y114-F118 PolarHBondContact O-N 2.89Å; S116-F118 PolarHBondContact O-N 3.22Å; F118-T121 PolarHBondContact O-N 2.75Å; F118-G122 PolarHBondContact O-N 2.8Å; F118-L153 HydrophobicContact CB-CB 3.75Å; F118-L153 HydrophobicContact CB-CG 4.49Å; F118-L153 HydrophobicContact CD2-CB 4.29Å; F118-L153 HydrophobicContact CG-CB 4.44Å; F118-L156 HydrophobicContact CE2-CB 4.02Å; F118-A157 HydrophobicContact CD2-CB 4.29Å; F118-A157 HydrophobicContact CE2-CB 4.31Å; F118-L160 HydrophobicContact CE2-CD1 3.9Å; F118-L160 HydrophobicContact CZ-CD1 3.62Å; F118-V208 HydrophobicContact CE1-CG1 4.15Å; F118-V208 HydrophobicContact CZ-CG1 3.82Å; F118-P213 HydrophobicContact CD1-CG 4.46Å; F118-P213 HydrophobicContact CE1-CG 4.28Å |
| 119 | C | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 172 | -74.7 | 0 | 0 | 0 | 0 | 111.5 | L71 A115 S116 V117 G122 L123 | L71-C119 HydrophobicContact CB-CB 4.33Å; L71-C119 HydrophobicContact CD1-CB 4.48Å; A115-C119 VanDerWaalsContact O-CB 3.31Å; A115-C119 WeakPolarHBondContact O-CB 3.32Å; A115-C119 PolarHBondContact O-N 3.23Å; A115-C119 PolarHBondContact O-SG 2.87Å; S116-C119 PolarHBondContact O-N 3.06Å; V117-C119 PolarHBondContact O-N 3.21Å; C119-G122 PolarHBondContact O-N 2.74Å; C119-L123 WeakPolarHBondContact O-CB 3.33Å; C119-L123 WeakPolarHBondContact O-CG 3.47Å; C119-L123 PolarHBondContact O-N 2.93Å |
| 120 | L | 95.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 176.4 | -69.1 | 174.1 | 0 | 0 | 0 | 112.5 | S116 V117 L123 S124 M217 L253 V254 F257 | S116-L120 WeakPolarHBondContact O-CG 3.45Å; S116-L120 PolarHBondContact O-N 3.3Å; V117-L120 PolarHBondContact O-N 2.75Å; L120-L123 HydrophobicContact CD2-CD1 4.4Å; L120-L123 PolarHBondContact O-N 3Å; L120-S124 WeakPolarHBondContact O-CB 3.41Å; L120-S124 PolarHBondContact O-N 2.87Å; L120-S124 PolarHBondContact O-OG 2.92Å; L120-M217 HydrophobicContact CB-SD 3.79Å; L120-L253 HydrophobicContact CD2-CB 3.72Å; L120-L253 HydrophobicContact CD2-CD1 4.37Å; L120-V254 HydrophobicContact CB-CG2 4.41Å; L120-V254 HydrophobicContact CD2-CG2 4.43Å; L120-F257 HydrophobicContact CD1-CB 3.49Å; L120-F257 VanDerWaalsContact CD1-CB 3.49Å; L120-F257 HydrophobicContact CD1-CD1 4.19Å; L120-F257 HydrophobicContact CD1-CD2 3.61Å; L120-F257 HydrophobicContact CD1-CE2 4.43Å; L120-F257 HydrophobicContact CD1-CG 3.48Å; L120-F257 VanDerWaalsContact CD1-CG 3.48Å |
| 121 | T | 95.6 | Very high | 93.9 | Very high | 21 Ų | 21 | 13.7 Ų | 13.7 | 13% | 0.129 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 171.8 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | V117 F118 L123 S124 F125 P213 I216 | V117-T121 PolarHBondContact O-N 2.85Å; V117-T121 PolarHBondContact O-OG1 2.98Å; V117-T121 VanDerWaalsContact O-OG1 3.06Å; F118-T121 PolarHBondContact O-N 2.75Å; T121-L123 PolarHBondContact O-N 3.39Å; T121-S124 PolarHBondContact O-N 3.17Å; T121-F125 WeakPolarHBondContact O-CB 3.43Å; T121-F125 PolarHBondContact O-N 3.22Å; T121-P213 WeakPolarHBondContact OG1-CB 3.31Å; T121-I216 HydrophobicContact CG2-CB 3.99Å; T121-I216 HydrophobicContact CG2-CD1 4.29Å; T121-I216 HydrophobicContact CG2-CG2 3.54Å |
| 122 | G | 93.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 15 Ų | 15 | 17% | 0.165 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F118 C119 F125 D126 | F118-G122 PolarHBondContact O-N 2.8Å; C119-G122 PolarHBondContact O-N 2.74Å; G122-F125 PolarHBondContact O-N 3.32Å; G122-D126 VanDerWaalsContact O-CB 3.3Å; G122-D126 WeakPolarHBondContact O-CB 3.24Å; G122-D126 PolarHBondContact O-N 3.31Å |
| 123 | L | 92.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.1 | -78.5 | 167.6 | 0 | 0 | 0 | 111.9 | A64 F67 C119 L120 T121 D126 R127 I250 | A64-L123 HydrophobicContact CB-CD2 3.61Å; F67-L123 HydrophobicContact CB-CD1 4.16Å; F67-L123 HydrophobicContact CB-CD2 3.77Å; F67-L123 HydrophobicContact CB-CG 3.62Å; F67-L123 HydrophobicContact CD2-CD2 4.21Å; F67-L123 HydrophobicContact CD2-CG 4.41Å; F67-L123 HydrophobicContact CG-CD2 4.34Å; F67-L123 HydrophobicContact CG-CG 4.17Å; C119-L123 WeakPolarHBondContact O-CB 3.33Å; C119-L123 WeakPolarHBondContact O-CG 3.47Å; C119-L123 PolarHBondContact O-N 2.93Å; L120-L123 HydrophobicContact CD2-CD1 4.4Å; L120-L123 PolarHBondContact O-N 3Å; T121-L123 PolarHBondContact O-N 3.39Å; L123-D126 PolarHBondContact O-N 3.48Å; L123-R127 WeakPolarHBondContact O-CG 3.41Å; L123-R127 PolarHBondContact O-N 3.45Å; L123-I250 HydrophobicContact CB-CD1 4.15Å; L123-I250 HydrophobicContact CB-CG1 4.36Å; L123-I250 HydrophobicContact CB-CG2 3.82Å; L123-I250 HydrophobicContact CD2-CD1 4.17Å; L123-I250 HydrophobicContact CD2-CG1 4.5Å |
| 124 | S | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 179.6 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | L120 T121 R127 Y128 M217 Y221 | L120-S124 WeakPolarHBondContact O-CB 3.41Å; L120-S124 PolarHBondContact O-N 2.87Å; L120-S124 PolarHBondContact O-OG 2.92Å; T121-S124 PolarHBondContact O-N 3.17Å; S124-R127 PolarHBondContact O-N 2.88Å; S124-Y128 PolarHBondContact O-N 3.23Å; S124-M217 WeakPolarHBondContact OG-CG 3.44Å; S124-Y221 PolarHBondContact OG-OH 3.49Å |
| 125 | F | 92.3 | Very high | 91.4 | Very high | 96 Ų | 96 | 29.1 Ų | 29.1 | 42% | 0.421 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69.2 | -39.3 | 176.8 | -166.5 | -106.9 | 0 | 0 | 0 | 112.5 | T121 G122 R127 Y128 L129 | T121-F125 WeakPolarHBondContact O-CB 3.43Å; T121-F125 PolarHBondContact O-N 3.22Å; G122-F125 PolarHBondContact O-N 3.32Å; F125-R127 VanDerWaalsContact C-N 3.29Å; F125-R127 PolarHBondContact O-N 2.9Å; F125-Y128 HydrophobicContact CD2-CD1 4.08Å; F125-Y128 AromaticContact CE2-CD1 3.93Å; F125-Y128 HydrophobicContact CE2-CD1 3.93Å; F125-Y128 HydrophobicContact CE2-CE1 4.24Å; F125-Y128 WeakPolarHBondContact O-CB 3.36Å; F125-Y128 PolarHBondContact O-N 3.12Å; F125-Y128 VanDerWaalsContact O-N 3.17Å; F125-L129 HydrophobicContact CD1-CD1 3.83Å; F125-L129 HydrophobicContact CD1-CG 4.17Å; F125-L129 HydrophobicContact CE1-CD1 3.56Å; F125-L129 HydrophobicContact CE1-CD2 4.25Å; F125-L129 HydrophobicContact CE1-CG 3.91Å; F125-L129 HydrophobicContact CZ-CD1 4.33Å; F125-L129 HydrophobicContact CZ-CD2 4.21Å; F125-L129 HydrophobicContact CZ-CG 4.27Å; F125-L129 WeakPolarHBondContact O-CG 3.46Å; F125-L129 PolarHBondContact O-N 3.4Å |
| 126 | D | 88.5 | Confident | 90.4 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 171.8 | 163.7 | 87.3 | 0 | 0 | 0 | 111.3 | S63 G122 L123 A130 | S63-D126 VanDerWaalsContact CB-OD1 3.28Å; S63-D126 WeakPolarHBondContact CB-OD1 3.43Å; S63-D126 PolarHBondContact OG-OD1 3.02Å; G122-D126 VanDerWaalsContact O-CB 3.3Å; G122-D126 WeakPolarHBondContact O-CB 3.24Å; G122-D126 PolarHBondContact O-N 3.31Å; L123-D126 PolarHBondContact O-N 3.48Å; D126-A130 VanDerWaalsContact O-CB 3.27Å; D126-A130 WeakPolarHBondContact O-CB 3.45Å; D126-A130 PolarHBondContact O-N 3.04Å |
| 127 | R | 90.6 | Very high | 89.5 | Confident | 19 Ų | 19 | 32.3 Ų | 32.3 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.2 | -41.8 | 172.6 | -66.1 | -55.5 | 87.1 | -158.2 | 1.7 | 112.8 | L123 S124 F125 A130 I131 I224 L246 L247 I250 | L123-R127 WeakPolarHBondContact O-CG 3.41Å; L123-R127 PolarHBondContact O-N 3.45Å; S124-R127 PolarHBondContact O-N 2.88Å; F125-R127 VanDerWaalsContact C-N 3.29Å; F125-R127 PolarHBondContact O-N 2.9Å; R127-A130 PolarHBondContact O-N 3.4Å; R127-I131 WeakPolarHBondContact O-CB 3.29Å; R127-I131 WeakPolarHBondContact O-CG1 3.34Å; R127-I131 PolarHBondContact O-N 3.45Å; R127-I224 HydrophobicContact CB-CD1 3.98Å; R127-L246 VanDerWaalsContact CZ-CD2 3.41Å; R127-L247 HydrophobicContact CB-CD1 4.31Å; R127-L247 HydrophobicContact CG-CD1 4.43Å; R127-I250 HydrophobicContact CG-CD1 3.31Å |
| 128 | Y | 91 | Very high | 88.5 | Confident | 22 Ų | 22 | 35.4 Ų | 35.4 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.9 | -51.4 | 176.5 | 165.4 | -99.8 | 0 | 0 | 0 | 111 | S124 F125 A130 I131 V132 R133 F223 | S124-Y128 PolarHBondContact O-N 3.23Å; F125-Y128 HydrophobicContact CD2-CD1 4.08Å; F125-Y128 AromaticContact CE2-CD1 3.93Å; F125-Y128 HydrophobicContact CE2-CD1 3.93Å; F125-Y128 HydrophobicContact CE2-CE1 4.24Å; F125-Y128 WeakPolarHBondContact O-CB 3.36Å; F125-Y128 PolarHBondContact O-N 3.12Å; F125-Y128 VanDerWaalsContact O-N 3.17Å; Y128-A130 VanDerWaalsContact C-N 3.34Å; Y128-A130 PolarHBondContact O-N 3.37Å; Y128-I131 PolarHBondContact O-N 3.32Å; Y128-V132 HydrophobicContact CD2-CB 3.88Å; Y128-V132 HydrophobicContact CD2-CG1 4.37Å; Y128-V132 HydrophobicContact CD2-CG2 3.59Å; Y128-V132 HydrophobicContact CE2-CB 3.77Å; Y128-V132 HydrophobicContact CE2-CG1 3.78Å; Y128-V132 HydrophobicContact CE2-CG2 3.86Å; Y128-V132 HydrophobicContact CG-CG2 4.45Å; Y128-V132 WeakPolarHBondContact O-CA 3.43Å; Y128-V132 VanDerWaalsContact O-CB 3.28Å; Y128-V132 WeakPolarHBondContact O-CB 3.32Å; Y128-V132 WeakPolarHBondContact O-CG2 3.15Å; Y128-V132 PolarHBondContact O-N 3.43Å; Y128-R133 HydrophobicContact CE1-CG 4.48Å; Y128-R133 VanDerWaalsContact OH-CZ 3.25Å; Y128-R133 PolarHBondContact OH-NE 3.21Å; Y128-R133 PolarHBondContact OH-NH2 2.9Å; Y128-F223 HydrophobicContact CD2-CB 3.99Å; Y128-F223 HydrophobicContact CE2-CB 3.67Å; Y128-F223 HydrophobicContact CE2-CD2 4.02Å; Y128-F223 HydrophobicContact CE2-CG 4.06Å |
| 129 | L | 89.1 | Confident | 87.4 | Confident | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 177.5 | -69 | 177.1 | 0 | 0 | 0 | 111.8 | F125 I131 R133 N137 L140 | F125-L129 HydrophobicContact CD1-CD1 3.83Å; F125-L129 HydrophobicContact CD1-CG 4.17Å; F125-L129 HydrophobicContact CE1-CD1 3.56Å; F125-L129 HydrophobicContact CE1-CD2 4.25Å; F125-L129 HydrophobicContact CE1-CG 3.91Å; F125-L129 HydrophobicContact CZ-CD1 4.33Å; F125-L129 HydrophobicContact CZ-CD2 4.21Å; F125-L129 HydrophobicContact CZ-CG 4.27Å; F125-L129 WeakPolarHBondContact O-CG 3.46Å; F125-L129 PolarHBondContact O-N 3.4Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 2.95Å; L129-R133 CarbonylContact O-C 3.58Å; L129-R133 PolarHBondContact O-N 3.15Å; L129-N137 HydrophobicContact CB-CB 4.06Å; L129-N137 WeakPolarHBondContact O-CB 3.44Å; L129-L140 HydrophobicContact CD1-CD2 3.32Å |
| 130 | A | 85.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -26.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | D126 R127 Y128 | D126-A130 VanDerWaalsContact O-CB 3.27Å; D126-A130 WeakPolarHBondContact O-CB 3.45Å; D126-A130 PolarHBondContact O-N 3.04Å; R127-A130 PolarHBondContact O-N 3.4Å; Y128-A130 VanDerWaalsContact C-N 3.34Å; Y128-A130 PolarHBondContact O-N 3.37Å |
| 131 | I | 87.5 | Confident | 85.3 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -103.9 | -46.1 | -175.5 | -63.5 | 172 | 0 | 0 | 0 | 111.6 | R127 Y128 L129 I224 T227 I228 F232 L247 | R127-I131 WeakPolarHBondContact O-CB 3.29Å; R127-I131 WeakPolarHBondContact O-CG1 3.34Å; R127-I131 PolarHBondContact O-N 3.45Å; Y128-I131 PolarHBondContact O-N 3.32Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 2.95Å; I131-I224 HydrophobicContact CD1-CG2 3.95Å; I131-I224 HydrophobicContact CG2-CG2 4.42Å; I131-T227 HydrophobicContact CG2-CG2 4.4Å; I131-I228 HydrophobicContact CG2-CG1 4.42Å; I131-F232 HydrophobicContact CG2-CE2 4.09Å; I131-F232 HydrophobicContact CG2-CZ 4.04Å; I131-L247 HydrophobicContact CD1-CD2 4.38Å |
| 132 | V | 89.1 | Confident | 83.6 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -90.2 | -36.8 | -172 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | Y128 P134 F223 I224 T227 | Y128-V132 HydrophobicContact CD2-CB 3.88Å; Y128-V132 HydrophobicContact CD2-CG1 4.37Å; Y128-V132 HydrophobicContact CD2-CG2 3.59Å; Y128-V132 HydrophobicContact CE2-CB 3.77Å; Y128-V132 HydrophobicContact CE2-CG1 3.78Å; Y128-V132 HydrophobicContact CE2-CG2 3.86Å; Y128-V132 HydrophobicContact CG-CG2 4.45Å; Y128-V132 WeakPolarHBondContact O-CA 3.43Å; Y128-V132 VanDerWaalsContact O-CB 3.28Å; Y128-V132 WeakPolarHBondContact O-CB 3.32Å; Y128-V132 WeakPolarHBondContact O-CG2 3.15Å; Y128-V132 PolarHBondContact O-N 3.43Å; V132-P134 VanDerWaalsContact C-CD 3.5Å; V132-F223 HydrophobicContact CG2-CB 4.24Å; V132-I224 HydrophobicContact CG2-CG1 4.03Å; V132-T227 WeakPolarHBondContact CG2-OG1 3.35Å |
| 133 | R | 86.8 | Confident | 81.7 | Confident | 141 Ų | 141 | 68.4 Ų | 68.4 | 53% | 0.532 | 33% | 0.33 | S | S | . | . | trans | -128 | 61.8 | -175.2 | -61.1 | -171 | 176.9 | -178.7 | 2.1 | 112.6 | Y128 L129 V135 A136 N137 | Y128-R133 HydrophobicContact CE1-CG 4.48Å; Y128-R133 VanDerWaalsContact OH-CZ 3.25Å; Y128-R133 PolarHBondContact OH-NE 3.21Å; Y128-R133 PolarHBondContact OH-NH2 2.9Å; L129-R133 CarbonylContact O-C 3.58Å; L129-R133 PolarHBondContact O-N 3.15Å; R133-V135 VanDerWaalsContact C-N 3.3Å; R133-V135 PolarHBondContact O-N 3.41Å; R133-A136 HydrophobicContact CB-CB 3.94Å; R133-A136 PolarHBondContact O-N 3.31Å; R133-A136 VanDerWaalsContact O-N 3.12Å; R133-N137 PolarHBondContact O-N 2.96Å | ||
| 134 | P | 82.4 | Confident | 80.1 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 44% | 0.442 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -35 | -172.6 | 23.6 | -34.3 | 0 | 0 | 0 | 114.1 | V132 N137 A138 | V132-P134 VanDerWaalsContact C-CD 3.5Å; P134-N137 WeakPolarHBondContact O-CB 3.31Å; P134-N137 PolarHBondContact O-N 3.25Å; P134-A138 PolarHBondContact O-N 3.5Å |
| 135 | V | 79.5 | Confident | 79 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 61% | 0.612 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.9 | -44.7 | 177 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | R133 N137 A138 R139 | R133-V135 VanDerWaalsContact C-N 3.3Å; R133-V135 PolarHBondContact O-N 3.41Å; V135-N137 VanDerWaalsContact C-N 3.31Å; V135-N137 PolarHBondContact O-N 3.21Å; V135-A138 PolarHBondContact O-N 2.84Å; V135-R139 PolarHBondContact O-N 2.85Å |
| 136 | A | 78.1 | Confident | 78.3 | Confident | 44 Ų | 44 | 71.7 Ų | 71.7 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R133 A138 R139 L140 | R133-A136 HydrophobicContact CB-CB 3.94Å; R133-A136 PolarHBondContact O-N 3.31Å; R133-A136 VanDerWaalsContact O-N 3.12Å; A136-A138 PolarHBondContact O-N 3.13Å; A136-R139 PolarHBondContact O-N 3.27Å; A136-L140 WeakPolarHBondContact O-CB 3.45Å; A136-L140 PolarHBondContact O-N 2.9Å |
| 137 | N | 78.4 | Confident | 78.1 | Confident | 22 Ų | 22 | 73 Ų | 73 | 12% | 0.118 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.1 | -174 | 38.5 | 0 | 0 | 0 | 112.3 | L129 R133 P134 V135 R139 L140 R141 | L129-N137 HydrophobicContact CB-CB 4.06Å; L129-N137 WeakPolarHBondContact O-CB 3.44Å; R133-N137 PolarHBondContact O-N 2.96Å; P134-N137 WeakPolarHBondContact O-CB 3.31Å; P134-N137 PolarHBondContact O-N 3.25Å; V135-N137 VanDerWaalsContact C-N 3.31Å; V135-N137 PolarHBondContact O-N 3.21Å; N137-R139 VanDerWaalsContact C-N 3.35Å; N137-R139 PolarHBondContact O-N 2.95Å; N137-L140 PolarHBondContact O-N 3.39Å; N137-R141 VanDerWaalsContact O-CB 3.27Å; N137-R141 WeakPolarHBondContact O-CB 3.3Å; N137-R141 VanDerWaalsContact O-CG 3.24Å; N137-R141 WeakPolarHBondContact O-CG 3.34Å; N137-R141 PolarHBondContact O-N 3.23Å; N137-R141 WeakPolarHBondContact OD1-CD 3.35Å |
| 138 | A | 76.3 | Confident | 78 | Confident | 66 Ų | 66 | 75.8 Ų | 75.8 | 55% | 0.545 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P134 V135 A136 L142 | P134-A138 PolarHBondContact O-N 3.5Å; V135-A138 PolarHBondContact O-N 2.84Å; A136-A138 PolarHBondContact O-N 3.13Å; A138-L142 WeakPolarHBondContact O-CB 3.06Å; A138-L142 PolarHBondContact O-N 3.16Å |
| 139 | R | 73.8 | Confident | 77.9 | Confident | 174 Ų | 174 | 77 Ų | 77 | 66% | 0.657 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.7 | -43.2 | 176.7 | -68.5 | -178.8 | 177.3 | -174.2 | -2.6 | 112.8 | V135 A136 N137 L142 R143 | V135-R139 PolarHBondContact O-N 2.85Å; A136-R139 PolarHBondContact O-N 3.27Å; N137-R139 VanDerWaalsContact C-N 3.35Å; N137-R139 PolarHBondContact O-N 2.95Å; R139-L142 WeakPolarHBondContact O-CB 3.28Å; R139-L142 PolarHBondContact O-N 2.68Å; R139-R143 PolarHBondContact O-N 3.34Å; R139-R143 VanDerWaalsContact O-N 3.16Å |
| 140 | L | 74.1 | Confident | 78 | Confident | 77 Ų | 77 | 76.8 Ų | 76.8 | 40% | 0.403 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.5 | -46.1 | -179.2 | -174.4 | 67.6 | 0 | 0 | 0 | 111.2 | L129 A136 N137 L142 R143 V144 | L129-L140 HydrophobicContact CD1-CD2 3.32Å; A136-L140 WeakPolarHBondContact O-CB 3.45Å; A136-L140 PolarHBondContact O-N 2.9Å; N137-L140 PolarHBondContact O-N 3.39Å; L140-L142 PolarHBondContact O-N 3.19Å; L140-R143 PolarHBondContact O-N 2.8Å; L140-V144 CarbonylContact O-C 3.59Å; L140-V144 PolarHBondContact O-N 3.29Å |
| 141 | R | 71.5 | Confident | 78.3 | Confident | 160 Ų | 160 | 79.1 Ų | 79.1 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.2 | -28.1 | 176.7 | -73.7 | -176.7 | 69.2 | -162.3 | -0.5 | 112.7 | N137 | N137-R141 VanDerWaalsContact O-CB 3.27Å; N137-R141 WeakPolarHBondContact O-CB 3.3Å; N137-R141 VanDerWaalsContact O-CG 3.24Å; N137-R141 WeakPolarHBondContact O-CG 3.34Å; N137-R141 PolarHBondContact O-N 3.23Å; N137-R141 WeakPolarHBondContact OD1-CD 3.35Å |
| 142 | L | 60.3 | Low | 78.7 | Confident | 151 Ų | 151 | 82.3 Ų | 82.3 | 79% | 0.791 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -73.9 | -39.1 | 174.7 | -172.2 | 67.4 | 0 | 0 | 0 | 112.2 | A138 R139 L140 | A138-L142 WeakPolarHBondContact O-CB 3.06Å; A138-L142 PolarHBondContact O-N 3.16Å; R139-L142 WeakPolarHBondContact O-CB 3.28Å; R139-L142 PolarHBondContact O-N 2.68Å; L140-L142 PolarHBondContact O-N 3.19Å |
| 143 | R | 54.3 | Low | 79 | Confident | 207 Ų | 207 | 81.1 Ų | 81.1 | 78% | 0.781 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -92.9 | -40.5 | -171.2 | -69.7 | -174.2 | -179.5 | 176.3 | -0.1 | 114.3 | R139 L140 | R139-R143 PolarHBondContact O-N 3.34Å; R139-R143 VanDerWaalsContact O-N 3.16Å; L140-R143 PolarHBondContact O-N 2.8Å |
| 144 | V | 58.4 | Low | 79.5 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -148.2 | 104.3 | -171.7 | 178 | 0 | 0 | 0 | 0 | 108.7 | L140 V148 | L140-V144 CarbonylContact O-C 3.59Å; L140-V144 PolarHBondContact O-N 3.29Å; V144-V148 HydrophobicContact CG1-CB 3.53Å; V144-V148 HydrophobicContact CG1-CG1 3.76Å; V144-V148 HydrophobicContact CG1-CG2 3.84Å |
| 145 | S | 70.8 | Confident | 80.2 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | trans | -67.4 | 154.6 | -174.8 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | A147 V148 | S145-A147 PolarHBondContact O-N 3.48Å; S145-A147 PolarHBondContact OG-N 2.9Å; S145-V148 PolarHBondContact O-N 3.48Å | ||
| 146 | G | 78.4 | Confident | 81 | Confident | 23 Ų | 23 | 77.7 Ų | 77.7 | 24% | 0.237 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -50.4 | -18.1 | 169 | 0 | 0 | 0 | 0 | 0 | 113.6 | T150 | G146-T150 VanDerWaalsContact O-CB 3.26Å; G146-T150 WeakPolarHBondContact O-CB 3.34Å; G146-T150 PolarHBondContact O-N 3.15Å; G146-T150 PolarHBondContact O-OG1 2.93Å |
| 147 | A | 84 | Confident | 82 | Confident | 45 Ų | 45 | 75.6 Ų | 75.6 | 37% | 0.372 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 169 | 0 | 0 | 0 | 0 | 0 | 114.3 | I66 S145 T150 A151 | I66-A147 VanDerWaalsContact CD1-CA 3.44Å; I66-A147 HydrophobicContact CD1-CB 3.82Å; S145-A147 PolarHBondContact O-N 3.48Å; S145-A147 PolarHBondContact OG-N 2.9Å; A147-T150 PolarHBondContact O-N 2.83Å; A147-A151 PolarHBondContact O-N 3.39Å |
| 148 | V | 87.8 | Confident | 82.9 | Confident | 76 Ų | 76 | 76 Ų | 76 | 46% | 0.461 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.4 | -43.7 | 178.7 | 177.5 | 0 | 0 | 0 | 0 | 110 | V144 S145 T150 A151 V152 | V144-V148 HydrophobicContact CG1-CB 3.53Å; V144-V148 HydrophobicContact CG1-CG1 3.76Å; V144-V148 HydrophobicContact CG1-CG2 3.84Å; S145-V148 PolarHBondContact O-N 3.48Å; V148-T150 PolarHBondContact O-N 2.92Å; V148-A151 PolarHBondContact O-N 2.91Å; V148-A151 VanDerWaalsContact O-N 3.15Å; V148-V152 HydrophobicContact CG1-CG2 4.47Å; V148-V152 WeakPolarHBondContact O-CG2 3.26Å; V148-V152 PolarHBondContact O-N 3.35Å |
| 149 | A | 88.9 | Confident | 84 | Confident | 48 Ų | 48 | 78 Ų | 78 | 40% | 0.397 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F67 V152 L153 | F67-A149 HydrophobicContact CE1-CB 4.41Å; F67-A149 HydrophobicContact CZ-CB 4.09Å; A149-V152 PolarHBondContact O-N 3.36Å; A149-L153 PolarHBondContact O-N 2.88Å |
| 150 | T | 91.6 | Very high | 85.1 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 174.5 | -59 | 0 | 0 | 0 | 0 | 111.9 | I66 S70 G146 A147 V148 V152 L153 W154 | I66-T150 HydrophobicContact CG1-CG2 4.37Å; S70-T150 WeakPolarHBondContact OG-CG2 3.39Å; G146-T150 VanDerWaalsContact O-CB 3.26Å; G146-T150 WeakPolarHBondContact O-CB 3.34Å; G146-T150 PolarHBondContact O-N 3.15Å; G146-T150 PolarHBondContact O-OG1 2.93Å; A147-T150 PolarHBondContact O-N 2.83Å; V148-T150 PolarHBondContact O-N 2.92Å; T150-V152 PolarHBondContact O-N 3.14Å; T150-L153 VanDerWaalsContact O-CG 3.28Å; T150-L153 WeakPolarHBondContact O-CG 3.22Å; T150-L153 PolarHBondContact O-N 3.32Å; T150-W154 PolarHBondContact O-N 3.42Å |
| 151 | A | 93.3 | Very high | 86.2 | Confident | 56 Ų | 56 | 69 Ų | 69 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A147 V148 W154 V155 | A147-A151 PolarHBondContact O-N 3.39Å; V148-A151 PolarHBondContact O-N 2.91Å; V148-A151 VanDerWaalsContact O-N 3.15Å; A151-W154 PolarHBondContact O-N 3.47Å; A151-V155 WeakPolarHBondContact O-CG2 3.34Å; A151-V155 PolarHBondContact O-N 3.5Å; A151-V155 VanDerWaalsContact O-N 3.09Å |
| 152 | V | 94.4 | Very high | 87.5 | Confident | 79 Ų | 79 | 65.3 Ų | 65.3 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | V148 A149 T150 W154 V155 L156 | V148-V152 HydrophobicContact CG1-CG2 4.47Å; V148-V152 WeakPolarHBondContact O-CG2 3.26Å; V148-V152 PolarHBondContact O-N 3.35Å; A149-V152 PolarHBondContact O-N 3.36Å; T150-V152 PolarHBondContact O-N 3.14Å; V152-W154 VanDerWaalsContact C-N 3.29Å; V152-W154 PolarHBondContact O-N 3.37Å; V152-V155 PolarHBondContact O-N 3.4Å; V152-L156 HydrophobicContact CG1-CD1 3.83Å; V152-L156 HydrophobicContact CG1-CG 4.3Å; V152-L156 WeakPolarHBondContact O-CB 3.28Å; V152-L156 VanDerWaalsContact O-CG 3.32Å; V152-L156 WeakPolarHBondContact O-CG 3.41Å; V152-L156 PolarHBondContact O-N 3.3Å |
| 153 | L | 95.1 | Very high | 89.2 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 179.3 | 73.1 | 82.8 | 0 | 0 | 0 | 112.6 | F67 F118 A149 T150 A157 | F67-L153 HydrophobicContact CD1-CD2 3.93Å; F67-L153 HydrophobicContact CE1-CD2 3.81Å; F118-L153 HydrophobicContact CB-CB 3.75Å; F118-L153 HydrophobicContact CB-CG 4.49Å; F118-L153 HydrophobicContact CD2-CB 4.29Å; F118-L153 HydrophobicContact CG-CB 4.44Å; A149-L153 PolarHBondContact O-N 2.88Å; T150-L153 VanDerWaalsContact O-CG 3.28Å; T150-L153 WeakPolarHBondContact O-CG 3.22Å; T150-L153 PolarHBondContact O-N 3.32Å; L153-A157 VanDerWaalsContact O-CB 3.29Å; L153-A157 WeakPolarHBondContact O-CB 3.31Å; L153-A157 PolarHBondContact O-N 3.24Å |
| 154 | W | 97.2 | Very high | 91.2 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 27% | 0.265 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.7 | -43.5 | 178.7 | -86.3 | 108.3 | 0 | 0 | 0 | 111.5 | S70 V73 A74 V111 A115 T150 A151 V152 L156 A157 A158 | S70-W154 WeakPolarHBondContact O-CZ2 3.34Å; V73-W154 HydrophobicContact CB-CH2 4.34Å; V73-W154 HydrophobicContact CB-CZ2 4.11Å; V73-W154 HydrophobicContact CG1-CH2 3.88Å; V73-W154 HydrophobicContact CG1-CZ2 3.99Å; A74-W154 HydrophobicContact CB-CH2 3.97Å; A74-W154 HydrophobicContact CB-CZ2 4.44Å; V111-W154 HydrophobicContact CG1-CZ3 4.08Å; A115-W154 HydrophobicContact CB-CE3 4.48Å; A115-W154 HydrophobicContact CB-CH2 4.45Å; A115-W154 HydrophobicContact CB-CZ3 4.31Å; T150-W154 PolarHBondContact O-N 3.42Å; A151-W154 PolarHBondContact O-N 3.47Å; V152-W154 VanDerWaalsContact C-N 3.29Å; V152-W154 PolarHBondContact O-N 3.37Å; W154-L156 VanDerWaalsContact C-N 3.35Å; W154-A157 PolarHBondContact O-N 3.42Å; W154-A158 WeakPolarHBondContact O-CB 3.49Å; W154-A158 PolarHBondContact O-N 2.85Å |
| 155 | V | 97.7 | Very high | 93 | Very high | 87 Ų | 87 | 49.8 Ų | 49.8 | 53% | 0.527 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 174.9 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | A151 V152 A158 L159 | A151-V155 WeakPolarHBondContact O-CG2 3.34Å; A151-V155 PolarHBondContact O-N 3.5Å; A151-V155 VanDerWaalsContact O-N 3.09Å; V152-V155 PolarHBondContact O-N 3.4Å; V155-A158 PolarHBondContact O-N 2.93Å; V155-L159 HydrophobicContact CG1-CD1 3.79Å; V155-L159 HydrophobicContact CG1-CG 4.32Å; V155-L159 WeakPolarHBondContact O-CB 3.45Å; V155-L159 VanDerWaalsContact O-CG 3.27Å; V155-L159 WeakPolarHBondContact O-CG 3.31Å; V155-L159 PolarHBondContact O-N 3.03Å |
| 156 | L | 97.4 | Very high | 94.3 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 43% | 0.429 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 177 | -72.8 | 173.5 | 0 | 0 | 0 | 112.1 | F118 V152 W154 A158 L159 L160 | F118-L156 HydrophobicContact CE2-CB 4.02Å; V152-L156 HydrophobicContact CG1-CD1 3.83Å; V152-L156 HydrophobicContact CG1-CG 4.3Å; V152-L156 WeakPolarHBondContact O-CB 3.28Å; V152-L156 VanDerWaalsContact O-CG 3.32Å; V152-L156 WeakPolarHBondContact O-CG 3.41Å; V152-L156 PolarHBondContact O-N 3.3Å; W154-L156 VanDerWaalsContact C-N 3.35Å; L156-A158 PolarHBondContact O-N 3.24Å; L156-L159 PolarHBondContact O-N 3.35Å; L156-L160 WeakPolarHBondContact O-CB 3.28Å; L156-L160 WeakPolarHBondContact O-CD1 3.44Å; L156-L160 VanDerWaalsContact O-CG 3.24Å; L156-L160 WeakPolarHBondContact O-CG 3.5Å; L156-L160 PolarHBondContact O-N 2.83Å |
| 157 | A | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A115 F118 L153 W154 A161 | A115-A157 HydrophobicContact CB-CB 3.99Å; F118-A157 HydrophobicContact CD2-CB 4.29Å; F118-A157 HydrophobicContact CE2-CB 4.31Å; L153-A157 VanDerWaalsContact O-CB 3.29Å; L153-A157 WeakPolarHBondContact O-CB 3.31Å; L153-A157 PolarHBondContact O-N 3.24Å; W154-A157 PolarHBondContact O-N 3.42Å; A157-A161 WeakPolarHBondContact O-CB 3.14Å; A157-A161 PolarHBondContact O-N 2.97Å; A157-A161 VanDerWaalsContact O-N 3.15Å |
| 158 | A | 97.9 | Very high | 95.8 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 24% | 0.24 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -51 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y107 W154 V155 L156 L160 A161 M162 | Y107-A158 WeakPolarHBondContact OH-CA 3.37Å; Y107-A158 WeakPolarHBondContact OH-CB 3.38Å; W154-A158 WeakPolarHBondContact O-CB 3.49Å; W154-A158 PolarHBondContact O-N 2.85Å; V155-A158 PolarHBondContact O-N 2.93Å; L156-A158 PolarHBondContact O-N 3.24Å; A158-L160 PolarHBondContact O-N 3.45Å; A158-A161 PolarHBondContact O-N 3.31Å; A158-M162 WeakPolarHBondContact O-CG 3.5Å; A158-M162 PolarHBondContact O-N 3.38Å; A158-M162 VanDerWaalsContact O-N 3.15Å |
| 159 | L | 98 | Very high | 96.2 | Very high | 109 Ų | 109 | 47.4 Ų | 47.4 | 57% | 0.571 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | -179.3 | -71.5 | 174.7 | 0 | 0 | 0 | 112.7 | V155 L156 A161 M162 | V155-L159 HydrophobicContact CG1-CD1 3.79Å; V155-L159 HydrophobicContact CG1-CG 4.32Å; V155-L159 WeakPolarHBondContact O-CB 3.45Å; V155-L159 VanDerWaalsContact O-CG 3.27Å; V155-L159 WeakPolarHBondContact O-CG 3.31Å; V155-L159 PolarHBondContact O-N 3.03Å; L156-L159 PolarHBondContact O-N 3.35Å; L159-A161 VanDerWaalsContact C-N 3.26Å; L159-A161 PolarHBondContact O-N 2.95Å; L159-M162 WeakPolarHBondContact O-CB 3.33Å; L159-M162 PolarHBondContact O-N 3.17Å |
| 160 | L | 97.7 | Very high | 96.6 | Very high | 62 Ų | 62 | 46.5 Ų | 46.5 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.7 | -25.9 | 178.9 | -71.4 | 165.4 | 0 | 0 | 0 | 113 | Y114 F118 L156 A158 P163 V208 | Y114-L160 HydrophobicContact CD1-CD1 4.47Å; Y114-L160 HydrophobicContact CD2-CB 3.77Å; Y114-L160 HydrophobicContact CE2-CB 3.63Å; Y114-L160 HydrophobicContact CG-CB 4.32Å; F118-L160 HydrophobicContact CE2-CD1 3.9Å; F118-L160 HydrophobicContact CZ-CD1 3.62Å; L156-L160 WeakPolarHBondContact O-CB 3.28Å; L156-L160 WeakPolarHBondContact O-CD1 3.44Å; L156-L160 VanDerWaalsContact O-CG 3.24Å; L156-L160 WeakPolarHBondContact O-CG 3.5Å; L156-L160 PolarHBondContact O-N 2.83Å; A158-L160 PolarHBondContact O-N 3.45Å; L160-P163 WeakPolarHBondContact O-CD 3.4Å; L160-V208 HydrophobicContact CD1-CG1 3.5Å; L160-V208 VanDerWaalsContact CD1-CG1 3.5Å; L160-V208 HydrophobicContact CD2-CG1 4.34Å |
| 161 | A | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -85.2 | -13.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y107 F110 V111 Y114 A157 A158 L159 P163 V164 M165 | Y107-A161 HydrophobicContact CD2-CB 3.71Å; Y107-A161 WeakPolarHBondContact CD2-O 3.42Å; Y107-A161 HydrophobicContact CE2-CB 3.56Å; F110-A161 HydrophobicContact CB-CB 3.75Å; V111-A161 HydrophobicContact CG2-CB 3.58Å; Y114-A161 HydrophobicContact CD2-CB 4.3Å; Y114-A161 HydrophobicContact CE2-CB 4.37Å; A157-A161 WeakPolarHBondContact O-CB 3.14Å; A157-A161 PolarHBondContact O-N 2.97Å; A157-A161 VanDerWaalsContact O-N 3.15Å; A158-A161 PolarHBondContact O-N 3.31Å; L159-A161 VanDerWaalsContact C-N 3.26Å; L159-A161 PolarHBondContact O-N 2.95Å; A161-P163 VanDerWaalsContact C-CD 3.45Å; A161-V164 WeakPolarHBondContact O-CB 3.46Å; A161-V164 PolarHBondContact O-N 3.35Å; A161-M165 PolarHBondContact O-N 3.1Å |
| 162 | M | 97.3 | Very high | 96.3 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 41% | 0.409 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.3 | -40.3 | -177.8 | -74.2 | -60.9 | -71.4 | 0 | 0 | 114.8 | Y107 A158 L159 V164 M165 V166 | Y107-M162 HydrophobicContact CE2-SD 4.12Å; A158-M162 WeakPolarHBondContact O-CG 3.5Å; A158-M162 PolarHBondContact O-N 3.38Å; A158-M162 VanDerWaalsContact O-N 3.15Å; L159-M162 WeakPolarHBondContact O-CB 3.33Å; L159-M162 PolarHBondContact O-N 3.17Å; M162-V164 PolarHBondContact O-N 3.19Å; M162-V164 VanDerWaalsContact O-N 3.16Å; M162-M165 WeakPolarHBondContact O-CB 3.4Å; M162-M165 PolarHBondContact O-N 3.29Å; M162-V166 WeakPolarHBondContact O-CG2 3.48Å; M162-V166 PolarHBondContact O-N 3.14Å |
| 163 | P | 96.3 | Very high | 95.7 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.5 | -35.4 | 176.2 | -28.3 | 36.9 | 0 | 0 | 0 | 112.9 | L160 A161 V166 F167 L201 | L160-P163 WeakPolarHBondContact O-CD 3.4Å; A161-P163 VanDerWaalsContact C-CD 3.45Å; P163-V166 PolarHBondContact O-N 2.88Å; P163-F167 HydrophobicContact CB-CD2 4Å; P163-F167 HydrophobicContact CB-CE2 3.98Å; P163-F167 WeakPolarHBondContact O-CB 3.29Å; P163-F167 WeakPolarHBondContact O-CD2 3.01Å; P163-F167 WeakPolarHBondContact O-CG 3.15Å; P163-F167 PolarHBondContact O-N 2.91Å; P163-L201 HydrophobicContact CB-CD2 4.17Å; P163-L201 HydrophobicContact CG-CD2 4.39Å |
| 164 | V | 96.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 177 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | F110 A161 M162 V166 R168 M183 | F110-V164 HydrophobicContact CB-CG2 4.37Å; F110-V164 HydrophobicContact CD1-CG2 3.94Å; F110-V164 HydrophobicContact CD2-CB 4.26Å; F110-V164 HydrophobicContact CD2-CG1 3.91Å; F110-V164 HydrophobicContact CD2-CG2 3.67Å; F110-V164 HydrophobicContact CE1-CG2 4.05Å; F110-V164 HydrophobicContact CE2-CG1 4.1Å; F110-V164 HydrophobicContact CE2-CG2 3.79Å; F110-V164 HydrophobicContact CG-CG2 3.73Å; F110-V164 HydrophobicContact CZ-CG2 3.97Å; A161-V164 WeakPolarHBondContact O-CB 3.46Å; A161-V164 PolarHBondContact O-N 3.35Å; M162-V164 PolarHBondContact O-N 3.19Å; M162-V164 VanDerWaalsContact O-N 3.16Å; V164-V166 VanDerWaalsContact C-N 3.27Å; V164-V166 PolarHBondContact O-N 3.47Å; V164-R168 HydrophobicContact CG1-CG 3.64Å; V164-R168 WeakPolarHBondContact O-CB 3.45Å; V164-R168 WeakPolarHBondContact O-CG 3.28Å; V164-R168 PolarHBondContact O-N 3.39Å; V164-M183 HydrophobicContact CG1-SD 4.26Å; V164-M183 HydrophobicContact CG2-CE 4.41Å; V164-M183 HydrophobicContact CG2-SD 4.5Å |
| 165 | M | 97.1 | Very high | 93.2 | Very high | 55 Ų | 55 | 60 Ų | 60 | 27% | 0.271 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -35.1 | 176.1 | -171.2 | 66.2 | -177.1 | 0 | 0 | 112.2 | K103 Y107 A161 M162 | K103-M165 HydrophobicContact CB-CE 4.2Å; K103-M165 HydrophobicContact CB-SD 3.84Å; K103-M165 WeakPolarHBondContact CD-O 3.43Å; K103-M165 WeakPolarHBondContact CE-O 3.45Å; Y107-M165 HydrophobicContact CD2-CB 3.8Å; Y107-M165 HydrophobicContact CE2-CB 4.48Å; Y107-M165 HydrophobicContact CG-CB 4.21Å; Y107-M165 HydrophobicContact CG-SD 4.21Å; A161-M165 PolarHBondContact O-N 3.1Å; M162-M165 WeakPolarHBondContact O-CB 3.4Å; M162-M165 PolarHBondContact O-N 3.29Å |
| 166 | V | 96.9 | Very high | 92.3 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 39% | 0.394 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -75.6 | -53.8 | -179.6 | 174.5 | 0 | 0 | 0 | 0 | 111 | K103 M162 P163 V164 M187 | K103-V166 PolarHBondContact NZ-O 2.87Å; M162-V166 WeakPolarHBondContact O-CG2 3.48Å; M162-V166 PolarHBondContact O-N 3.14Å; P163-V166 PolarHBondContact O-N 2.88Å; V164-V166 VanDerWaalsContact C-N 3.27Å; V164-V166 PolarHBondContact O-N 3.47Å; V166-M187 HydrophobicContact CG1-CE 3.43Å; V166-M187 VanDerWaalsContact CG1-CE 3.43Å; V166-M187 HydrophobicContact CG1-SD 4.49Å |
| 167 | F | 96.7 | Very high | 91.7 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -84.4 | -19.5 | -170.4 | -62.1 | -50.9 | 0 | 0 | 0 | 114.6 | P163 T169 M183 D184 Y185 M187 V188 W197 L201 | P163-F167 HydrophobicContact CB-CD2 4Å; P163-F167 HydrophobicContact CB-CE2 3.98Å; P163-F167 WeakPolarHBondContact O-CB 3.29Å; P163-F167 WeakPolarHBondContact O-CD2 3.01Å; P163-F167 WeakPolarHBondContact O-CG 3.15Å; P163-F167 PolarHBondContact O-N 2.91Å; F167-T169 PolarHBondContact O-N 3.27Å; F167-M183 HydrophobicContact CB-CE 3.64Å; F167-M183 HydrophobicContact CB-SD 4.39Å; F167-M183 HydrophobicContact CD2-CE 4.12Å; F167-M183 HydrophobicContact CG-CE 4.36Å; F167-D184 WeakPolarHBondContact CD1-O 3.38Å; F167-D184 PolarHBondContact O-N 3.31Å; F167-Y185 HydrophobicContact CB-CD1 4.39Å; F167-Y185 HydrophobicContact CB-CE1 4.34Å; F167-Y185 HydrophobicContact CD1-CD1 4.28Å; F167-Y185 HydrophobicContact CD2-CD1 4.05Å; F167-Y185 AromaticContact CD2-CE1 3.96Å; F167-Y185 HydrophobicContact CD2-CE1 3.96Å; F167-Y185 HydrophobicContact CE2-CD1 4.41Å; F167-Y185 AromaticContact CG-CD1 4Å; F167-Y185 HydrophobicContact CG-CD1 4Å; F167-Y185 HydrophobicContact CG-CE1 4.17Å; F167-M187 HydrophobicContact CD1-CE 4.34Å; F167-M187 HydrophobicContact CE1-CE 3.8Å; F167-V188 HydrophobicContact CD1-CG2 4.46Å; F167-V188 HydrophobicContact CE1-CB 4.23Å; F167-V188 HydrophobicContact CE1-CG1 3.71Å; F167-V188 HydrophobicContact CE1-CG2 3.47Å; F167-V188 VanDerWaalsContact CE1-CG2 3.47Å; F167-V188 HydrophobicContact CZ-CB 4.36Å; F167-V188 HydrophobicContact CZ-CG1 3.89Å; F167-V188 HydrophobicContact CZ-CG2 3.58Å; F167-W197 HydrophobicContact CZ-CZ3 4.48Å; F167-L201 HydrophobicContact CD2-CD1 4.05Å; F167-L201 HydrophobicContact CE2-CD1 3.94Å |
| 168 | R | 97.6 | Very high | 91.3 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 17% | 0.17 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 128.7 | 176.6 | -78.7 | -74.7 | -177.1 | 171.6 | -2.6 | 111.1 | K103 S106 V164 C181 Y182 M183 | K103-R168 WeakPolarHBondContact CE-O 3.35Å; K103-R168 HydrophobicContact CG-CB 4.08Å; K103-R168 WeakPolarHBondContact CG-O 3.24Å; S106-R168 PolarHBondContact OG-NE 3.16Å; V164-R168 HydrophobicContact CG1-CG 3.64Å; V164-R168 WeakPolarHBondContact O-CB 3.45Å; V164-R168 WeakPolarHBondContact O-CG 3.28Å; V164-R168 PolarHBondContact O-N 3.39Å; R168-C181 VanDerWaalsContact NH1-C 3.33Å; R168-C181 PolarHBondContact NH1-O 3.37Å; R168-Y182 WeakPolarHBondContact CA-O 3.46Å; R168-Y182 WeakPolarHBondContact CD-O 3.31Å; R168-Y182 VanDerWaalsContact NH1-CA 3.35Å; R168-M183 HydrophobicContact CG-SD 3.64Å; R168-M183 PolarHBondContact NE-SD 3.48Å; R168-M183 VanDerWaalsContact NE-SD 3.41Å |
| 169 | T | 96.9 | Very high | 91.1 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 22% | 0.221 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 174.3 | 173 | -162.6 | 0 | 0 | 0 | 0 | 110.9 | C102 F167 C181 Y182 D184 | C102-T169 PolarHBondContact SG-O 3.41Å; F167-T169 PolarHBondContact O-N 3.27Å; T169-C181 WeakPolarHBondContact O-CA 3.4Å; T169-Y182 HydrophobicContact CG2-CD1 4.31Å; T169-Y182 HydrophobicContact CG2-CE1 3.66Å; T169-Y182 HydrophobicContact CG2-CE2 4.35Å; T169-Y182 PolarHBondContact N-O 3.47Å; T169-Y182 PolarHBondContact O-N 2.91Å; T169-Y182 VanDerWaalsContact O-N 3.13Å; T169-D184 HydrophobicContact CG2-CB 3.54Å |
| 170 | T | 96.2 | Very high | 91 | Very high | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130.9 | 170.7 | 51.6 | 0 | 0 | 0 | 0 | 109.3 | W95 T99 C102 V179 Q180 | W95-T170 HydrophobicContact CG-CG2 4.36Å; T99-T170 PolarHBondContact OG1-OG1 3.33Å; C102-T170 HydrophobicContact CB-CG2 3.72Å; T170-V179 HydrophobicContact CG2-CG1 4.42Å; T170-Q180 VanDerWaalsContact CA-O 3.26Å; T170-Q180 WeakPolarHBondContact CA-O 3.33Å |
| 171 | G | 92.6 | Very high | 90.9 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 19% | 0.186 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | 169.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q180 | G171-Q180 PolarHBondContact N-O 3.28Å; G171-Q180 PolarHBondContact O-N 3.19Å |
| 172 | D | 87.6 | Confident | 90.8 | Very high | 106 Ų | 106 | 59.1 Ų | 59.1 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.3 | 178.3 | -55.4 | -34.7 | 0 | 0 | 0 | 108.3 | V179 | D172-V179 WeakPolarHBondContact OD1-CG2 3.49Å |
| 173 | L | 80.1 | Confident | 90.7 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | trans | -89.6 | 138.1 | 171.5 | -86.4 | 82 | 0 | 0 | 0 | 109.4 | N175 T176 Q180 Y182 | L173-N175 PolarHBondContact O-N 2.94Å; L173-T176 WeakPolarHBondContact O-CB 3.43Å; L173-T176 WeakPolarHBondContact O-CG2 3.06Å; L173-T176 PolarHBondContact O-N 3.41Å; L173-T176 VanDerWaalsContact O-N 3.07Å; L173-T176 PolarHBondContact O-OG1 2.79Å; L173-Q180 HydrophobicContact CD1-CB 4.1Å; L173-Y182 HydrophobicContact CD1-CD1 3.26Å; L173-Y182 HydrophobicContact CD1-CD2 3.87Å; L173-Y182 HydrophobicContact CD1-CE1 3.42Å; L173-Y182 VanDerWaalsContact CD1-CE1 3.42Å; L173-Y182 HydrophobicContact CD1-CE2 4.02Å; L173-Y182 HydrophobicContact CD1-CG 3.5Å; L173-Y182 VanDerWaalsContact CD1-CG 3.5Å; L173-Y182 HydrophobicContact CD2-CD2 4.43Å; L173-Y182 HydrophobicContact CD2-CG 4.49Å | ||
| 174 | E | 70.9 | Confident | 90.5 | Very high | 164 Ų | 164 | 57.3 Ų | 57.3 | 77% | 0.766 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 47.2 | 162.6 | -59.8 | -178.5 | 167.4 | 0 | 0 | 115.5 | T176 | E174-T176 PolarHBondContact O-N 3.16Š|
| 175 | N | 69.9 | Low | 90.4 | Very high | 173 Ų | 173 | 57.7 Ų | 57.7 | 93% | 0.925 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 19.6 | -179.9 | -68.2 | -26.6 | 0 | 0 | 0 | 114.7 | L173 | L173-N175 PolarHBondContact O-N 2.94Š|
| 176 | T | 77.7 | Confident | 90.2 | Very high | 21 Ų | 21 | 59.2 Ų | 59.2 | 13% | 0.129 | 32% | 0.322 | C | S | . | . | trans | -78.4 | 148.9 | 172.7 | 67.9 | 0 | 0 | 0 | 0 | 110.1 | D23 L173 E174 K178 | D23-T176 WeakPolarHBondContact OD1-CG2 3.4Å; D23-T176 VanDerWaalsContact OD2-CG2 3.22Å; D23-T176 WeakPolarHBondContact OD2-CG2 3.34Å; L173-T176 WeakPolarHBondContact O-CB 3.43Å; L173-T176 WeakPolarHBondContact O-CG2 3.06Å; L173-T176 PolarHBondContact O-N 3.41Å; L173-T176 VanDerWaalsContact O-N 3.07Å; L173-T176 PolarHBondContact O-OG1 2.79Å; E174-T176 PolarHBondContact O-N 3.16Å; T176-K178 PolarHBondContact O-N 3.11Å; T176-K178 VanDerWaalsContact O-N 3.16Å | ||
| 177 | T | 86.1 | Confident | 89.9 | Confident | 146 Ų | 146 | 62.5 Ų | 62.5 | 90% | 0.896 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -79.4 | 16.3 | 174.5 | 62.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 178 | K | 89.8 | Confident | 89.7 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 19% | 0.187 | 35% | 0.347 | C | S | . | . | trans | -111.6 | 132.8 | -171.1 | -65.2 | 179.3 | 179.9 | 177.5 | 0 | 109.8 | D92 D94 T176 Q180 | D92-K178 PolarHBondContact O-NZ 3.24Å; D94-K178 HydrophobicContact CB-CB 4.38Å; D94-K178 HydrophobicContact CB-CG 4.44Å; T176-K178 PolarHBondContact O-N 3.11Å; T176-K178 VanDerWaalsContact O-N 3.16Å; K178-Q180 PolarHBondContact O-N 2.61Å | ||
| 179 | V | 94.2 | Very high | 89.4 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 33% | 0.327 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 108.5 | 175.2 | 177.7 | 0 | 0 | 0 | 0 | 108 | D94 W95 T170 D172 | D94-V179 PolarHBondContact OD1-N 3.02Å; D94-V179 VanDerWaalsContact OD1-N 3.16Å; W95-V179 WeakPolarHBondContact CA-O 3.46Å; W95-V179 WeakPolarHBondContact CB-O 3.47Å; W95-V179 PolarHBondContact N-O 2.79Å; T170-V179 HydrophobicContact CG2-CG1 4.42Å; D172-V179 WeakPolarHBondContact OD1-CG2 3.49Å |
| 180 | Q | 94.7 | Very high | 89.2 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 11% | 0.107 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 153.1 | -178.6 | -55.4 | -171.9 | 5.4 | 0 | 0 | 111.3 | T170 G171 L173 K178 | T170-Q180 VanDerWaalsContact CA-O 3.26Å; T170-Q180 WeakPolarHBondContact CA-O 3.33Å; G171-Q180 PolarHBondContact N-O 3.28Å; G171-Q180 PolarHBondContact O-N 3.19Å; L173-Q180 HydrophobicContact CD1-CB 4.1Å; K178-Q180 PolarHBondContact O-N 2.61Å |
| 181 | C | 97 | Very high | 88.6 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.02 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 106.8 | 167.3 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | W95 C102 R168 T169 | W95-C181 HydrophobicContact CB-CB 4.01Å; W95-C181 HydrophobicContact CD2-CB 3.8Å; W95-C181 HydrophobicContact CE3-CB 3.99Å; W95-C181 HydrophobicContact CG-CB 3.79Å; C102-C181 VanDerWaalsContact CA-SG 3.53Å; C102-C181 HydrophobicContact CB-CB 3.82Å; C102-C181 WeakPolarHBondContact CB-SG 3.29Å; C102-C181 VanDerWaalsContact SG-CA 3.56Å; C102-C181 WeakPolarHBondContact SG-CB 3.41Å; C102-C181 CovalentContact SG-SG 2.03Å; C102-C181 PolarHBondContact SG-SG 3.28Å; R168-C181 VanDerWaalsContact NH1-C 3.33Å; R168-C181 PolarHBondContact NH1-O 3.37Å; T169-C181 WeakPolarHBondContact O-CA 3.4Å |
| 182 | Y | 94.4 | Very high | 88.5 | Confident | 61 Ų | 61 | 74.3 Ų | 74.3 | 24% | 0.239 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 167.2 | -170.6 | 73.6 | -77.4 | 0 | 0 | 0 | 111.9 | R168 T169 L173 D184 | R168-Y182 WeakPolarHBondContact CA-O 3.46Å; R168-Y182 WeakPolarHBondContact CD-O 3.31Å; R168-Y182 VanDerWaalsContact NH1-CA 3.35Å; T169-Y182 HydrophobicContact CG2-CD1 4.31Å; T169-Y182 HydrophobicContact CG2-CE1 3.66Å; T169-Y182 HydrophobicContact CG2-CE2 4.35Å; T169-Y182 PolarHBondContact N-O 3.47Å; T169-Y182 PolarHBondContact O-N 2.91Å; T169-Y182 VanDerWaalsContact O-N 3.13Å; L173-Y182 HydrophobicContact CD1-CD1 3.26Å; L173-Y182 HydrophobicContact CD1-CD2 3.87Å; L173-Y182 HydrophobicContact CD1-CE1 3.42Å; L173-Y182 VanDerWaalsContact CD1-CE1 3.42Å; L173-Y182 HydrophobicContact CD1-CE2 4.02Å; L173-Y182 HydrophobicContact CD1-CG 3.5Å; L173-Y182 VanDerWaalsContact CD1-CG 3.5Å; L173-Y182 HydrophobicContact CD2-CD2 4.43Å; L173-Y182 HydrophobicContact CD2-CG 4.49Å; Y182-D184 HydrophobicContact CD2-CB 4.43Å; Y182-D184 HydrophobicContact CE2-CB 3.75Å |
| 183 | M | 94.3 | Very high | 88.7 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 20% | 0.202 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.3 | 174 | -65.8 | -70.1 | -67.7 | 0 | 0 | 108.7 | V164 F167 R168 Y185 | V164-M183 HydrophobicContact CG1-SD 4.26Å; V164-M183 HydrophobicContact CG2-CE 4.41Å; V164-M183 HydrophobicContact CG2-SD 4.5Å; F167-M183 HydrophobicContact CB-CE 3.64Å; F167-M183 HydrophobicContact CB-SD 4.39Å; F167-M183 HydrophobicContact CD2-CE 4.12Å; F167-M183 HydrophobicContact CG-CE 4.36Å; R168-M183 HydrophobicContact CG-SD 3.64Å; R168-M183 PolarHBondContact NE-SD 3.48Å; R168-M183 VanDerWaalsContact NE-SD 3.41Å; M183-Y185 HydrophobicContact CB-CE1 4.25Å; M183-Y185 HydrophobicContact CB-CE2 4.01Å; M183-Y185 HydrophobicContact CE-CE1 3.8Å |
| 184 | D | 94.1 | Very high | 89 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | trans | -105.8 | 112.2 | 176.2 | 177 | 17 | 0 | 0 | 0 | 110 | F167 T169 Y182 S186 | F167-D184 WeakPolarHBondContact CD1-O 3.38Å; F167-D184 PolarHBondContact O-N 3.31Å; T169-D184 HydrophobicContact CG2-CB 3.54Å; Y182-D184 HydrophobicContact CD2-CB 4.43Å; Y182-D184 HydrophobicContact CE2-CB 3.75Å; D184-S186 WeakPolarHBondContact OD1-CB 3.3Å; D184-S186 PolarHBondContact OD1-N 3.03Å; D184-S186 PolarHBondContact OD1-OG 2.91Å | ||
| 185 | Y | 94.4 | Very high | 89.9 | Confident | 15 Ų | 15 | 70.3 Ų | 70.3 | 6% | 0.059 | 39% | 0.391 | C | S | . | . | trans | -94.5 | 2.7 | 178.3 | -52.6 | -66 | 0 | 0 | 0 | 113.2 | F167 M183 M187 V188 A189 D194 W197 E198 L201 | F167-Y185 HydrophobicContact CB-CD1 4.39Å; F167-Y185 HydrophobicContact CB-CE1 4.34Å; F167-Y185 HydrophobicContact CD1-CD1 4.28Å; F167-Y185 HydrophobicContact CD2-CD1 4.05Å; F167-Y185 AromaticContact CD2-CE1 3.96Å; F167-Y185 HydrophobicContact CD2-CE1 3.96Å; F167-Y185 HydrophobicContact CE2-CD1 4.41Å; F167-Y185 AromaticContact CG-CD1 4Å; F167-Y185 HydrophobicContact CG-CD1 4Å; F167-Y185 HydrophobicContact CG-CE1 4.17Å; M183-Y185 HydrophobicContact CB-CE1 4.25Å; M183-Y185 HydrophobicContact CB-CE2 4.01Å; M183-Y185 HydrophobicContact CE-CE1 3.8Å; Y185-M187 PolarHBondContact O-N 3.43Å; Y185-V188 WeakPolarHBondContact O-CG2 3.19Å; Y185-V188 PolarHBondContact O-N 3.22Å; Y185-A189 VanDerWaalsContact O-CB 3.29Å; Y185-A189 WeakPolarHBondContact O-CB 3.35Å; Y185-A189 PolarHBondContact O-N 3.47Å; Y185-D194 WeakPolarHBondContact CB-OD1 3.31Å; Y185-W197 HydrophobicContact CD1-CB 3.96Å; Y185-W197 HydrophobicContact CD2-CB 4.29Å; Y185-W197 HydrophobicContact CE1-CB 4.41Å; Y185-W197 HydrophobicContact CG-CB 3.89Å; Y185-E198 HydrophobicContact CE2-CB 3.82Å; Y185-E198 HydrophobicContact CE2-CG 4.35Å; Y185-L201 HydrophobicContact CD1-CD1 4.27Å; Y185-L201 HydrophobicContact CE1-CD1 3.47Å; Y185-L201 VanDerWaalsContact CE1-CD1 3.47Å | ||
| 186 | S | 91.7 | Very high | 91 | Very high | 88 Ų | 88 | 64.1 Ų | 64.1 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -22.6 | -178.3 | -53.2 | 0 | 0 | 0 | 0 | 113.8 | D184 V188 | D184-S186 WeakPolarHBondContact OD1-CB 3.3Å; D184-S186 PolarHBondContact OD1-N 3.03Å; D184-S186 PolarHBondContact OD1-OG 2.91Å; S186-V188 VanDerWaalsContact C-N 3.34Å |
| 187 | M | 90.1 | Very high | 91.7 | Very high | 133 Ų | 133 | 67.8 Ų | 67.8 | 66% | 0.655 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -26 | 176 | -167.3 | -175.6 | 69.5 | 0 | 0 | 113.5 | V166 F167 Y185 | V166-M187 HydrophobicContact CG1-CE 3.43Å; V166-M187 VanDerWaalsContact CG1-CE 3.43Å; V166-M187 HydrophobicContact CG1-SD 4.49Å; F167-M187 HydrophobicContact CD1-CE 4.34Å; F167-M187 HydrophobicContact CE1-CE 3.8Å; Y185-M187 PolarHBondContact O-N 3.43Å |
| 188 | V | 92.6 | Very high | 91.9 | Very high | 55 Ų | 55 | 65.1 Ų | 65.1 | 33% | 0.333 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | -16.6 | -172.6 | -65.1 | 0 | 0 | 0 | 0 | 113.9 | F167 Y185 S186 W197 | F167-V188 HydrophobicContact CD1-CG2 4.46Å; F167-V188 HydrophobicContact CE1-CB 4.23Å; F167-V188 HydrophobicContact CE1-CG1 3.71Å; F167-V188 HydrophobicContact CE1-CG2 3.47Å; F167-V188 VanDerWaalsContact CE1-CG2 3.47Å; F167-V188 HydrophobicContact CZ-CB 4.36Å; F167-V188 HydrophobicContact CZ-CG1 3.89Å; F167-V188 HydrophobicContact CZ-CG2 3.58Å; Y185-V188 WeakPolarHBondContact O-CG2 3.19Å; Y185-V188 PolarHBondContact O-N 3.22Å; S186-V188 VanDerWaalsContact C-N 3.34Å; V188-W197 HydrophobicContact CB-CD2 4.46Å; V188-W197 HydrophobicContact CB-CH2 4.05Å; V188-W197 HydrophobicContact CB-CZ2 3.64Å; V188-W197 HydrophobicContact CG2-CD2 3.66Å; V188-W197 HydrophobicContact CG2-CE3 3.97Å; V188-W197 HydrophobicContact CG2-CG 4.18Å; V188-W197 HydrophobicContact CG2-CH2 4.07Å; V188-W197 HydrophobicContact CG2-CZ2 3.77Å; V188-W197 HydrophobicContact CG2-CZ3 4.16Å; V188-W197 PolarHBondContact O-NE1 2.8Å |
| 189 | A | 92.3 | Very high | 92 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 12% | 0.124 | 35% | 0.351 | C | S | . | . | trans | -108.7 | 142.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y185 D194 W197 | Y185-A189 VanDerWaalsContact O-CB 3.29Å; Y185-A189 WeakPolarHBondContact O-CB 3.35Å; Y185-A189 PolarHBondContact O-N 3.47Å; A189-D194 HydrophobicContact CB-CB 4.38Å; A189-W197 HydrophobicContact CB-CG 4.25Å | ||
| 190 | T | 91.7 | Very high | 92 | Very high | 84 Ų | 84 | 63.5 Ų | 63.5 | 52% | 0.515 | 36% | 0.355 | S | S | . | . | trans | -77.4 | 161.8 | 158.4 | 61.3 | 0 | 0 | 0 | 0 | 109.2 | S192 S193 D194 | T190-S192 PolarHBondContact O-N 3.15Å; T190-S192 PolarHBondContact OG1-OG 2.86Å; T190-S193 PolarHBondContact N-OG 3.06Å; T190-S193 PolarHBondContact O-N 3.44Å; T190-S193 PolarHBondContact O-OG 2.82Å; T190-S193 PolarHBondContact OG1-N 3.33Å; T190-S193 PolarHBondContact OG1-OG 2.99Å; T190-D194 PolarHBondContact O-N 3.04Å; T190-D194 VanDerWaalsContact O-N 3.1Å | ||
| 191 | V | 85.2 | Confident | 91.9 | Very high | 149 Ų | 149 | 64.3 Ų | 64.3 | 90% | 0.903 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -37.1 | 174.6 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 192 | S | 88.6 | Confident | 91.7 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14.6 | 179 | 55.5 | 0 | 0 | 0 | 0 | 115.6 | T190 W195 | T190-S192 PolarHBondContact O-N 3.15Å; T190-S192 PolarHBondContact OG1-OG 2.86Å; S192-W195 PolarHBondContact O-NE1 3.11Å |
| 193 | S | 91.8 | Very high | 91.7 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 24% | 0.238 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 3.5 | -175.9 | 58.7 | 0 | 0 | 0 | 0 | 114 | T190 W195 A196 W197 | T190-S193 PolarHBondContact N-OG 3.06Å; T190-S193 PolarHBondContact O-N 3.44Å; T190-S193 PolarHBondContact O-OG 2.82Å; T190-S193 PolarHBondContact OG1-N 3.33Å; T190-S193 PolarHBondContact OG1-OG 2.99Å; S193-W195 PolarHBondContact O-N 3.2Å; S193-A196 WeakPolarHBondContact O-CB 3.1Å; S193-A196 PolarHBondContact O-N 3.26Å; S193-W197 PolarHBondContact O-N 3.25Å |
| 194 | D | 88 | Confident | 91.7 | Very high | 61 Ų | 61 | 65.2 Ų | 65.2 | 33% | 0.326 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54 | -49.6 | 177.8 | -169.8 | 78.5 | 0 | 0 | 0 | 112 | Y185 A189 T190 A196 W197 E198 | Y185-D194 WeakPolarHBondContact CB-OD1 3.31Å; A189-D194 HydrophobicContact CB-CB 4.38Å; T190-D194 PolarHBondContact O-N 3.04Å; T190-D194 VanDerWaalsContact O-N 3.1Å; D194-A196 PolarHBondContact O-N 2.88Å; D194-A196 VanDerWaalsContact O-N 3.17Å; D194-W197 PolarHBondContact O-N 3.06Å; D194-W197 VanDerWaalsContact O-N 3.11Å; D194-E198 PolarHBondContact O-N 2.66Å |
| 195 | W | 89.5 | Confident | 91.7 | Very high | 141 Ų | 141 | 63.2 Ų | 63.2 | 53% | 0.534 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.4 | -33.1 | 175.9 | 71.4 | -92.1 | 0 | 0 | 0 | 113.2 | S192 S193 W197 E198 V199 L276 | S192-W195 PolarHBondContact O-NE1 3.11Å; S193-W195 PolarHBondContact O-N 3.2Å; W195-W197 VanDerWaalsContact C-N 3.34Å; W195-E198 PolarHBondContact O-N 2.87Å; W195-V199 HydrophobicContact CE3-CG2 4.19Å; W195-V199 WeakPolarHBondContact O-CB 3.29Å; W195-V199 VanDerWaalsContact O-CG2 3.3Å; W195-V199 WeakPolarHBondContact O-CG2 3.37Å; W195-V199 PolarHBondContact O-N 2.86Å; W195-L276 HydrophobicContact CE3-CD2 4Å; W195-L276 HydrophobicContact CH2-CD2 4.19Å; W195-L276 HydrophobicContact CZ3-CD2 3.5Å; W195-L276 VanDerWaalsContact CZ3-CD2 3.5Å |
| 196 | A | 92.1 | Very high | 91.8 | Very high | 42 Ų | 42 | 63.1 Ų | 63.1 | 35% | 0.347 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.8 | -33.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S193 D194 G200 | S193-A196 WeakPolarHBondContact O-CB 3.1Å; S193-A196 PolarHBondContact O-N 3.26Å; D194-A196 PolarHBondContact O-N 2.88Å; D194-A196 VanDerWaalsContact O-N 3.17Å; A196-G200 PolarHBondContact O-N 3.41Å |
| 197 | W | 93.1 | Very high | 92.1 | Very high | 98 Ų | 98 | 61.5 Ų | 61.5 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 173.1 | -78.8 | 94.7 | 0 | 0 | 0 | 111.9 | F167 Y185 V188 A189 S193 D194 W195 G200 L201 | F167-W197 HydrophobicContact CZ-CZ3 4.48Å; Y185-W197 HydrophobicContact CD1-CB 3.96Å; Y185-W197 HydrophobicContact CD2-CB 4.29Å; Y185-W197 HydrophobicContact CE1-CB 4.41Å; Y185-W197 HydrophobicContact CG-CB 3.89Å; V188-W197 HydrophobicContact CB-CD2 4.46Å; V188-W197 HydrophobicContact CB-CH2 4.05Å; V188-W197 HydrophobicContact CB-CZ2 3.64Å; V188-W197 HydrophobicContact CG2-CD2 3.66Å; V188-W197 HydrophobicContact CG2-CE3 3.97Å; V188-W197 HydrophobicContact CG2-CG 4.18Å; V188-W197 HydrophobicContact CG2-CH2 4.07Å; V188-W197 HydrophobicContact CG2-CZ2 3.77Å; V188-W197 HydrophobicContact CG2-CZ3 4.16Å; V188-W197 PolarHBondContact O-NE1 2.8Å; A189-W197 HydrophobicContact CB-CG 4.25Å; S193-W197 PolarHBondContact O-N 3.25Å; D194-W197 PolarHBondContact O-N 3.06Å; D194-W197 VanDerWaalsContact O-N 3.11Å; W195-W197 VanDerWaalsContact C-N 3.34Å; W197-G200 PolarHBondContact O-N 3.11Å; W197-L201 HydrophobicContact CE3-CD1 4.31Å; W197-L201 VanDerWaalsContact O-CB 3.3Å; W197-L201 WeakPolarHBondContact O-CB 3.32Å; W197-L201 WeakPolarHBondContact O-CG 3.42Å; W197-L201 PolarHBondContact O-N 3.49Å |
| 198 | E | 90.6 | Very high | 92.4 | Very high | 90 Ų | 90 | 57.3 Ų | 57.3 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 175.8 | -172 | 175.3 | 176.9 | 0 | 0 | 111.3 | Y185 D194 W195 G202 | Y185-E198 HydrophobicContact CE2-CB 3.82Å; Y185-E198 HydrophobicContact CE2-CG 4.35Å; D194-E198 PolarHBondContact O-N 2.66Å; W195-E198 PolarHBondContact O-N 2.87Å; E198-G202 WeakPolarHBondContact O-CA 3.37Å; E198-G202 PolarHBondContact O-N 2.9Å |
| 199 | V | 92.2 | Very high | 92.5 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 177.9 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | W195 L201 G202 V203 M272 L276 | W195-V199 HydrophobicContact CE3-CG2 4.19Å; W195-V199 WeakPolarHBondContact O-CB 3.29Å; W195-V199 VanDerWaalsContact O-CG2 3.3Å; W195-V199 WeakPolarHBondContact O-CG2 3.37Å; W195-V199 PolarHBondContact O-N 2.86Å; V199-L201 PolarHBondContact O-N 2.83Å; V199-G202 PolarHBondContact O-N 2.8Å; V199-V203 HydrophobicContact CG1-CG2 4.08Å; V199-V203 WeakPolarHBondContact O-CB 3.25Å; V199-V203 VanDerWaalsContact O-CG2 3.26Å; V199-V203 WeakPolarHBondContact O-CG2 3.49Å; V199-V203 PolarHBondContact O-N 2.85Å; V199-M272 HydrophobicContact CG2-CB 4.37Å; V199-M272 HydrophobicContact CG2-CG 4.43Å; V199-L276 HydrophobicContact CG1-CD1 4.29Å |
| 200 | G | 92.9 | Very high | 92.6 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A196 W197 S204 | A196-G200 PolarHBondContact O-N 3.41Å; W197-G200 PolarHBondContact O-N 3.11Å; G200-S204 VanDerWaalsContact O-CB 3.27Å; G200-S204 WeakPolarHBondContact O-CB 3.35Å; G200-S204 PolarHBondContact O-N 3.32Å; G200-S204 PolarHBondContact O-OG 2.99Å |
| 201 | L | 93.3 | Very high | 92.9 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71 | -35.7 | 176.7 | -69 | 171.9 | 0 | 0 | 0 | 111.9 | P163 F167 Y185 W197 V199 S204 S205 | P163-L201 HydrophobicContact CB-CD2 4.17Å; P163-L201 HydrophobicContact CG-CD2 4.39Å; F167-L201 HydrophobicContact CD2-CD1 4.05Å; F167-L201 HydrophobicContact CE2-CD1 3.94Å; Y185-L201 HydrophobicContact CD1-CD1 4.27Å; Y185-L201 HydrophobicContact CE1-CD1 3.47Å; Y185-L201 VanDerWaalsContact CE1-CD1 3.47Å; W197-L201 HydrophobicContact CE3-CD1 4.31Å; W197-L201 VanDerWaalsContact O-CB 3.3Å; W197-L201 WeakPolarHBondContact O-CB 3.32Å; W197-L201 WeakPolarHBondContact O-CG 3.42Å; W197-L201 PolarHBondContact O-N 3.49Å; V199-L201 PolarHBondContact O-N 2.83Å; L201-S204 VanDerWaalsContact CA-OG 3.31Å; L201-S204 WeakPolarHBondContact CA-OG 3.41Å; L201-S204 PolarHBondContact O-OG 3.4Å; L201-S204 VanDerWaalsContact O-OG 3.05Å; L201-S205 WeakPolarHBondContact O-CB 3.32Å; L201-S205 PolarHBondContact O-N 3.5Å |
| 202 | G | 92.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65 | -49.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E198 V199 S205 T206 | E198-G202 WeakPolarHBondContact O-CA 3.37Å; E198-G202 PolarHBondContact O-N 2.9Å; V199-G202 PolarHBondContact O-N 2.8Å; G202-S205 PolarHBondContact O-N 2.96Å; G202-T206 PolarHBondContact O-N 3.27Å; G202-T206 PolarHBondContact O-OG1 2.99Å |
| 203 | V | 93.4 | Very high | 93.8 | Very high | 67 Ų | 67 | 46.6 Ų | 46.6 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | V199 S205 T206 T207 M272 | V199-V203 HydrophobicContact CG1-CG2 4.08Å; V199-V203 WeakPolarHBondContact O-CB 3.25Å; V199-V203 VanDerWaalsContact O-CG2 3.26Å; V199-V203 WeakPolarHBondContact O-CG2 3.49Å; V199-V203 PolarHBondContact O-N 2.85Å; V203-S205 VanDerWaalsContact C-N 3.31Å; V203-S205 PolarHBondContact O-N 3.36Å; V203-T206 PolarHBondContact O-N 3.06Å; V203-T207 WeakPolarHBondContact O-CB 2.97Å; V203-T207 PolarHBondContact O-N 2.94Å; V203-T207 PolarHBondContact O-OG1 3.36Å; V203-M272 HydrophobicContact CG2-CE 3.86Å; V203-M272 HydrophobicContact CG2-SD 4.26Å |
| 204 | S | 94.7 | Very high | 94 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 176.3 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | G200 L201 T207 V208 | G200-S204 VanDerWaalsContact O-CB 3.27Å; G200-S204 WeakPolarHBondContact O-CB 3.35Å; G200-S204 PolarHBondContact O-N 3.32Å; G200-S204 PolarHBondContact O-OG 2.99Å; L201-S204 VanDerWaalsContact CA-OG 3.31Å; L201-S204 WeakPolarHBondContact CA-OG 3.41Å; L201-S204 PolarHBondContact O-OG 3.4Å; L201-S204 VanDerWaalsContact O-OG 3.05Å; S204-T207 PolarHBondContact O-N 2.89Å; S204-V208 WeakPolarHBondContact O-CG2 3.38Å; S204-V208 PolarHBondContact O-N 3.32Å |
| 205 | S | 95.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.5 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | M113 Y114 L201 G202 V203 T207 G209 | M113-S205 WeakPolarHBondContact CE-OG 3.45Å; Y114-S205 WeakPolarHBondContact OH-CA 3.45Å; Y114-S205 WeakPolarHBondContact OH-CB 3.32Å; Y114-S205 PolarHBondContact OH-OG 2.93Å; L201-S205 WeakPolarHBondContact O-CB 3.32Å; L201-S205 PolarHBondContact O-N 3.5Å; G202-S205 PolarHBondContact O-N 2.96Å; V203-S205 VanDerWaalsContact C-N 3.31Å; V203-S205 PolarHBondContact O-N 3.36Å; S205-T207 VanDerWaalsContact C-N 3.34Å; S205-T207 PolarHBondContact O-N 3.09Å; S205-G209 VanDerWaalsContact O-CA 3.28Å; S205-G209 WeakPolarHBondContact O-CA 3.36Å; S205-G209 PolarHBondContact O-N 3.28Å |
| 206 | T | 96 | Very high | 94.8 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | 174.6 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | G202 V203 F210 V211 H265 | G202-T206 PolarHBondContact O-N 3.27Å; G202-T206 PolarHBondContact O-OG1 2.99Å; V203-T206 PolarHBondContact O-N 3.06Å; T206-F210 WeakPolarHBondContact O-CB 3.5Å; T206-F210 PolarHBondContact O-N 3.35Å; T206-V211 HydrophobicContact CG2-CG2 4.25Å; T206-V211 PolarHBondContact O-N 2.87Å; T206-V211 VanDerWaalsContact O-N 3.11Å; T206-H265 HydrophobicContact CG2-CB 3.97Å; T206-H265 PolarHBondContact OG1-ND1 2.75Å |
| 207 | T | 96.8 | Very high | 95 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 33% | 0.331 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -64 | -49.8 | -180 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | V203 S204 S205 V211 V212 | V203-T207 WeakPolarHBondContact O-CB 2.97Å; V203-T207 PolarHBondContact O-N 2.94Å; V203-T207 PolarHBondContact O-OG1 3.36Å; S204-T207 PolarHBondContact O-N 2.89Å; S205-T207 VanDerWaalsContact C-N 3.34Å; S205-T207 PolarHBondContact O-N 3.09Å; T207-V211 PolarHBondContact O-N 3.49Å; T207-V212 HydrophobicContact CG2-CG2 3.87Å; T207-V212 WeakPolarHBondContact O-CB 3.46Å; T207-V212 PolarHBondContact O-N 3.39Å |
| 208 | V | 96.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 42.2 Ų | 42.2 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -84.6 | -30.2 | -175.7 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | Y114 F118 L160 S204 P213 | Y114-V208 HydrophobicContact CE1-CB 4.5Å; Y114-V208 HydrophobicContact CE1-CG1 4.47Å; F118-V208 HydrophobicContact CE1-CG1 4.15Å; F118-V208 HydrophobicContact CZ-CG1 3.82Å; L160-V208 HydrophobicContact CD1-CG1 3.5Å; L160-V208 VanDerWaalsContact CD1-CG1 3.5Å; L160-V208 HydrophobicContact CD2-CG1 4.34Å; S204-V208 WeakPolarHBondContact O-CG2 3.38Å; S204-V208 PolarHBondContact O-N 3.32Å; V208-P213 VanDerWaalsContact O-CD 3.24Å; V208-P213 WeakPolarHBondContact O-CD 3.29Å; V208-P213 WeakPolarHBondContact O-CG 3.12Å |
| 209 | G | 94.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -83.7 | -17.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S205 | S205-G209 VanDerWaalsContact O-CA 3.28Å; S205-G209 WeakPolarHBondContact O-CA 3.36Å; S205-G209 PolarHBondContact O-N 3.28Å |
| 210 | F | 95.8 | Very high | 95.6 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 11% | 0.114 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -141.4 | -61.5 | -175.6 | -167.6 | -98.4 | 0 | 0 | 0 | 113.5 | T206 P213 F214 F257 W261 M262 H265 | T206-F210 WeakPolarHBondContact O-CB 3.5Å; T206-F210 PolarHBondContact O-N 3.35Å; F210-P213 WeakPolarHBondContact O-CD 3.45Å; F210-F214 WeakPolarHBondContact O-CB 3.32Å; F210-F214 PolarHBondContact O-N 3.23Å; F210-F257 HydrophobicContact CD2-CE1 4.22Å; F210-W261 HydrophobicContact CD2-CB 4.19Å; F210-W261 HydrophobicContact CE2-CB 4.21Å; F210-M262 HydrophobicContact CE2-CB 4.13Å; F210-M262 HydrophobicContact CZ-CB 3.68Å; F210-M262 HydrophobicContact CZ-CG 4.08Å; F210-H265 AromaticContact CD2-CD2 3.65Å; F210-H265 HydrophobicContact CG-CB 4.5Å; F210-H265 AromaticContact CG-CD2 3.69Å |
| 211 | V | 96.9 | Very high | 95.7 | Very high | 70 Ų | 70 | 40.5 Ų | 40.5 | 42% | 0.424 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -63.5 | -53.6 | -168.3 | -180 | 0 | 0 | 0 | 0 | 112.8 | T206 T207 F214 T215 | T206-V211 HydrophobicContact CG2-CG2 4.25Å; T206-V211 PolarHBondContact O-N 2.87Å; T206-V211 VanDerWaalsContact O-N 3.11Å; T207-V211 PolarHBondContact O-N 3.49Å; V211-F214 PolarHBondContact O-N 3.1Å; V211-T215 WeakPolarHBondContact O-CB 3.48Å; V211-T215 VanDerWaalsContact O-CG2 3.26Å; V211-T215 WeakPolarHBondContact O-CG2 3.25Å; V211-T215 PolarHBondContact O-N 3.43Å; V211-T215 PolarHBondContact O-OG1 2.85Å |
| 212 | V | 97.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 44.8 Ų | 44.8 | 42% | 0.424 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.8 | -49.4 | -179.7 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | T207 F214 T215 I216 | T207-V212 HydrophobicContact CG2-CG2 3.87Å; T207-V212 WeakPolarHBondContact O-CB 3.46Å; T207-V212 PolarHBondContact O-N 3.39Å; V212-F214 PolarHBondContact O-N 3.45Å; V212-T215 WeakPolarHBondContact CA-OG1 3.42Å; V212-T215 PolarHBondContact O-N 3.49Å; V212-T215 PolarHBondContact O-OG1 3.45Å; V212-I216 HydrophobicContact CG1-CD1 3.95Å; V212-I216 VanDerWaalsContact O-CG1 3.3Å; V212-I216 WeakPolarHBondContact O-CG1 3.3Å; V212-I216 PolarHBondContact O-N 3.23Å; V212-I216 VanDerWaalsContact O-N 3.12Å |
| 213 | P | 96.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.032 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 176.1 | -26.1 | 34.6 | 0 | 0 | 0 | 113.9 | V117 F118 T121 V208 F210 I216 M217 | V117-P213 HydrophobicContact CB-CB 4.36Å; V117-P213 HydrophobicContact CB-CG 4.46Å; V117-P213 HydrophobicContact CG1-CB 4.21Å; V117-P213 HydrophobicContact CG1-CG 3.81Å; V117-P213 HydrophobicContact CG2-CB 3.32Å; V117-P213 HydrophobicContact CG2-CG 3.78Å; F118-P213 HydrophobicContact CD1-CG 4.46Å; F118-P213 HydrophobicContact CE1-CG 4.28Å; T121-P213 WeakPolarHBondContact OG1-CB 3.31Å; V208-P213 VanDerWaalsContact O-CD 3.24Å; V208-P213 WeakPolarHBondContact O-CD 3.29Å; V208-P213 WeakPolarHBondContact O-CG 3.12Å; F210-P213 WeakPolarHBondContact O-CD 3.45Å; P213-I216 PolarHBondContact O-N 3.45Å; P213-M217 WeakPolarHBondContact O-CG 3.49Å; P213-M217 PolarHBondContact O-N 3.2Å |
| 214 | F | 95.9 | Very high | 95.8 | Very high | 55 Ų | 55 | 45.7 Ų | 45.7 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -40.2 | -177.5 | -166.4 | -108.9 | 0 | 0 | 0 | 111.9 | F210 V211 V212 I216 M217 L218 V254 A258 | F210-F214 WeakPolarHBondContact O-CB 3.32Å; F210-F214 PolarHBondContact O-N 3.23Å; V211-F214 PolarHBondContact O-N 3.1Å; V212-F214 PolarHBondContact O-N 3.45Å; F214-I216 PolarHBondContact O-N 3.32Å; F214-M217 HydrophobicContact CB-CE 4.44Å; F214-M217 HydrophobicContact CD2-CE 3.96Å; F214-M217 PolarHBondContact O-N 3.08Å; F214-L218 HydrophobicContact CD1-CD1 3.69Å; F214-L218 HydrophobicContact CD1-CG 4.08Å; F214-L218 HydrophobicContact CE1-CD1 3.55Å; F214-L218 HydrophobicContact CE1-CD2 4.17Å; F214-L218 HydrophobicContact CE1-CG 3.9Å; F214-L218 HydrophobicContact CZ-CD1 4.38Å; F214-L218 HydrophobicContact CZ-CD2 4.19Å; F214-L218 HydrophobicContact CZ-CG 4.29Å; F214-L218 WeakPolarHBondContact O-CB 3.47Å; F214-L218 WeakPolarHBondContact O-CG 3.49Å; F214-L218 PolarHBondContact O-N 2.99Å; F214-V254 HydrophobicContact CE2-CG1 4.25Å; F214-A258 HydrophobicContact CD2-CB 4.34Å; F214-A258 HydrophobicContact CE2-CB 3.61Å; F214-A258 HydrophobicContact CZ-CB 4.14Å |
| 215 | T | 97 | Very high | 95.7 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 43% | 0.429 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 173.3 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | V211 V212 M217 L218 T219 | V211-T215 WeakPolarHBondContact O-CB 3.48Å; V211-T215 VanDerWaalsContact O-CG2 3.26Å; V211-T215 WeakPolarHBondContact O-CG2 3.25Å; V211-T215 PolarHBondContact O-N 3.43Å; V211-T215 PolarHBondContact O-OG1 2.85Å; V212-T215 WeakPolarHBondContact CA-OG1 3.42Å; V212-T215 PolarHBondContact O-N 3.49Å; V212-T215 PolarHBondContact O-OG1 3.45Å; T215-M217 PolarHBondContact O-N 2.86Å; T215-L218 PolarHBondContact O-N 2.99Å; T215-T219 VanDerWaalsContact O-CG2 3.31Å; T215-T219 WeakPolarHBondContact O-CG2 3.06Å; T215-T219 PolarHBondContact O-N 3.5Å; T215-T219 PolarHBondContact O-OG1 2.89Å |
| 216 | I | 96.7 | Very high | 95.4 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 35% | 0.349 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 172.6 | -63.7 | 165.5 | 0 | 0 | 0 | 110.9 | T121 V212 P213 F214 T219 C220 | T121-I216 HydrophobicContact CG2-CB 3.99Å; T121-I216 HydrophobicContact CG2-CD1 4.29Å; T121-I216 HydrophobicContact CG2-CG2 3.54Å; V212-I216 HydrophobicContact CG1-CD1 3.95Å; V212-I216 VanDerWaalsContact O-CG1 3.3Å; V212-I216 WeakPolarHBondContact O-CG1 3.3Å; V212-I216 PolarHBondContact O-N 3.23Å; V212-I216 VanDerWaalsContact O-N 3.12Å; P213-I216 PolarHBondContact O-N 3.45Å; F214-I216 PolarHBondContact O-N 3.32Å; I216-T219 WeakPolarHBondContact CA-OG1 3.42Å; I216-T219 PolarHBondContact O-OG1 2.95Å; I216-C220 WeakPolarHBondContact O-CB 3.11Å; I216-C220 PolarHBondContact O-N 3.29Å; I216-C220 PolarHBondContact O-SG 2.97Å |
| 217 | M | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 177.8 | -70.5 | -171.9 | -68.2 | 0 | 0 | 111.7 | L120 S124 P213 F214 T215 T219 C220 Y221 V254 | L120-M217 HydrophobicContact CB-SD 3.79Å; S124-M217 WeakPolarHBondContact OG-CG 3.44Å; P213-M217 WeakPolarHBondContact O-CG 3.49Å; P213-M217 PolarHBondContact O-N 3.2Å; F214-M217 HydrophobicContact CB-CE 4.44Å; F214-M217 HydrophobicContact CD2-CE 3.96Å; F214-M217 PolarHBondContact O-N 3.08Å; T215-M217 PolarHBondContact O-N 2.86Å; M217-T219 PolarHBondContact O-N 3.49Å; M217-C220 WeakPolarHBondContact O-CB 3.06Å; M217-C220 PolarHBondContact O-N 3Å; M217-Y221 HydrophobicContact CB-CD2 4.41Å; M217-Y221 HydrophobicContact CB-CE2 4.22Å; M217-Y221 WeakPolarHBondContact O-CD2 3.39Å; M217-Y221 PolarHBondContact O-N 3.07Å; M217-V254 HydrophobicContact CB-CG1 4.48Å; M217-V254 HydrophobicContact CE-CG1 3.99Å; M217-V254 HydrophobicContact SD-CB 4.32Å; M217-V254 HydrophobicContact SD-CG1 3.87Å; M217-V254 HydrophobicContact SD-CG2 3.48Å; M217-V254 WeakPolarHBondContact SD-CG2 3.24Å |
| 218 | L | 96.1 | Very high | 94.6 | Very high | 91 Ų | 91 | 52 Ų | 52 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 177.5 | -73.9 | 176.8 | 0 | 0 | 0 | 112.1 | F214 T215 Y221 F222 | F214-L218 HydrophobicContact CD1-CD1 3.69Å; F214-L218 HydrophobicContact CD1-CG 4.08Å; F214-L218 HydrophobicContact CE1-CD1 3.55Å; F214-L218 HydrophobicContact CE1-CD2 4.17Å; F214-L218 HydrophobicContact CE1-CG 3.9Å; F214-L218 HydrophobicContact CZ-CD1 4.38Å; F214-L218 HydrophobicContact CZ-CD2 4.19Å; F214-L218 HydrophobicContact CZ-CG 4.29Å; F214-L218 WeakPolarHBondContact O-CB 3.47Å; F214-L218 WeakPolarHBondContact O-CG 3.49Å; F214-L218 PolarHBondContact O-N 2.99Å; T215-L218 PolarHBondContact O-N 2.99Å; L218-Y221 PolarHBondContact O-N 2.91Å; L218-F222 WeakPolarHBondContact O-CB 3.04Å; L218-F222 PolarHBondContact O-N 2.95Å |
| 219 | T | 96.7 | Very high | 94 | Very high | 73 Ų | 73 | 54.2 Ų | 54.2 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.8 | 53 | 0 | 0 | 0 | 0 | 111.8 | T215 I216 M217 Y221 F222 F223 | T215-T219 VanDerWaalsContact O-CG2 3.31Å; T215-T219 WeakPolarHBondContact O-CG2 3.06Å; T215-T219 PolarHBondContact O-N 3.5Å; T215-T219 PolarHBondContact O-OG1 2.89Å; I216-T219 WeakPolarHBondContact CA-OG1 3.42Å; I216-T219 PolarHBondContact O-OG1 2.95Å; M217-T219 PolarHBondContact O-N 3.49Å; T219-Y221 PolarHBondContact O-N 3.37Å; T219-F222 PolarHBondContact O-N 3.35Å; T219-F223 WeakPolarHBondContact O-CD2 3.44Å; T219-F223 PolarHBondContact O-N 2.93Å; T219-F223 VanDerWaalsContact O-N 3.16Å |
| 220 | C | 95.7 | Very high | 93 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.4 | -49.1 | 172.5 | -71.4 | 0 | 0 | 0 | 0 | 111.4 | I216 M217 F222 F223 I224 | I216-C220 WeakPolarHBondContact O-CB 3.11Å; I216-C220 PolarHBondContact O-N 3.29Å; I216-C220 PolarHBondContact O-SG 2.97Å; M217-C220 WeakPolarHBondContact O-CB 3.06Å; M217-C220 PolarHBondContact O-N 3Å; C220-F222 PolarHBondContact O-N 3.12Å; C220-F223 PolarHBondContact O-N 3.29Å; C220-I224 WeakPolarHBondContact O-CB 3.3Å; C220-I224 WeakPolarHBondContact O-CD1 3.39Å; C220-I224 WeakPolarHBondContact O-CG1 3.21Å; C220-I224 PolarHBondContact O-N 3.1Å |
| 221 | Y | 94.7 | Very high | 91.6 | Very high | 37 Ų | 37 | 63 Ų | 63 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.4 | -34.4 | -179.3 | -73.3 | -58.7 | 0 | 0 | 0 | 113.3 | S124 M217 L218 T219 I224 A225 L247 I250 V251 V254 | S124-Y221 PolarHBondContact OG-OH 3.49Å; M217-Y221 HydrophobicContact CB-CD2 4.41Å; M217-Y221 HydrophobicContact CB-CE2 4.22Å; M217-Y221 WeakPolarHBondContact O-CD2 3.39Å; M217-Y221 PolarHBondContact O-N 3.07Å; L218-Y221 PolarHBondContact O-N 2.91Å; T219-Y221 PolarHBondContact O-N 3.37Å; Y221-I224 HydrophobicContact CD1-CD1 4.19Å; Y221-I224 PolarHBondContact O-N 2.9Å; Y221-A225 VanDerWaalsContact O-CB 3.28Å; Y221-A225 WeakPolarHBondContact O-CB 3.33Å; Y221-A225 PolarHBondContact O-N 3.4Å; Y221-L247 HydrophobicContact CD1-CD1 4.07Å; Y221-L247 HydrophobicContact CE1-CD1 3.64Å; Y221-I250 WeakPolarHBondContact OH-CG2 3.07Å; Y221-V251 HydrophobicContact CD1-CG2 3.89Å; Y221-V251 HydrophobicContact CE1-CG2 3.35Å; Y221-V254 HydrophobicContact CE2-CB 4.32Å; Y221-V254 HydrophobicContact CE2-CG1 4.21Å; Y221-V254 HydrophobicContact CE2-CG2 4.07Å |
| 222 | F | 95.2 | Very high | 89.9 | Confident | 131 Ų | 131 | 62 Ų | 62 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.8 | -52.6 | 173.2 | 175.6 | -98.4 | 0 | 0 | 0 | 111.2 | L218 T219 C220 I224 A225 Q226 | L218-F222 WeakPolarHBondContact O-CB 3.04Å; L218-F222 PolarHBondContact O-N 2.95Å; T219-F222 PolarHBondContact O-N 3.35Å; C220-F222 PolarHBondContact O-N 3.12Å; F222-I224 PolarHBondContact O-N 2.86Å; F222-A225 PolarHBondContact O-N 2.94Å; F222-Q226 WeakPolarHBondContact O-CB 3.46Å; F222-Q226 PolarHBondContact O-N 3.43Å |
| 223 | F | 94.7 | Very high | 88.1 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 178 | -70.5 | -62.1 | 0 | 0 | 0 | 113 | Y128 V132 T219 C220 T227 | Y128-F223 HydrophobicContact CD2-CB 3.99Å; Y128-F223 HydrophobicContact CE2-CB 3.67Å; Y128-F223 HydrophobicContact CE2-CD2 4.02Å; Y128-F223 HydrophobicContact CE2-CG 4.06Å; V132-F223 HydrophobicContact CG2-CB 4.24Å; T219-F223 WeakPolarHBondContact O-CD2 3.44Å; T219-F223 PolarHBondContact O-N 2.93Å; T219-F223 VanDerWaalsContact O-N 3.16Å; C220-F223 PolarHBondContact O-N 3.29Å; F223-T227 WeakPolarHBondContact O-CB 3.26Å; F223-T227 PolarHBondContact O-N 3.34Å; F223-T227 PolarHBondContact O-OG1 2.97Å |
| 224 | I | 92.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 80.5 Ų | 80.5 | 1% | 0.01 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 172.9 | -72.7 | 161.1 | 0 | 0 | 0 | 110.1 | R127 I131 V132 C220 Y221 F222 T227 I228 L247 | R127-I224 HydrophobicContact CB-CD1 3.98Å; I131-I224 HydrophobicContact CD1-CG2 3.95Å; I131-I224 HydrophobicContact CG2-CG2 4.42Å; V132-I224 HydrophobicContact CG2-CG1 4.03Å; C220-I224 WeakPolarHBondContact O-CB 3.3Å; C220-I224 WeakPolarHBondContact O-CD1 3.39Å; C220-I224 WeakPolarHBondContact O-CG1 3.21Å; C220-I224 PolarHBondContact O-N 3.1Å; Y221-I224 HydrophobicContact CD1-CD1 4.19Å; Y221-I224 PolarHBondContact O-N 2.9Å; F222-I224 PolarHBondContact O-N 2.86Å; I224-T227 PolarHBondContact O-N 3.31Å; I224-I228 HydrophobicContact CG2-CD1 3.6Å; I224-I228 HydrophobicContact CG2-CG1 4.32Å; I224-I228 WeakPolarHBondContact O-CB 3.37Å; I224-I228 VanDerWaalsContact O-CG1 3.24Å; I224-I228 WeakPolarHBondContact O-CG1 3.22Å; I224-I228 PolarHBondContact O-N 3.14Å; I224-L247 HydrophobicContact CD1-CD1 4.1Å; I224-L247 HydrophobicContact CG2-CD1 4.04Å; I224-L247 HydrophobicContact CG2-CD2 3.67Å |
| 225 | A | 91.3 | Very high | 84.5 | Confident | 58 Ų | 58 | 82.2 Ų | 82.2 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y221 F222 T227 I228 A229 | Y221-A225 VanDerWaalsContact O-CB 3.28Å; Y221-A225 WeakPolarHBondContact O-CB 3.33Å; Y221-A225 PolarHBondContact O-N 3.4Å; F222-A225 PolarHBondContact O-N 2.94Å; A225-T227 VanDerWaalsContact C-N 3.33Å; A225-T227 PolarHBondContact O-N 2.91Å; A225-I228 PolarHBondContact O-N 3.38Å; A225-A229 WeakPolarHBondContact O-CB 3.38Å; A225-A229 PolarHBondContact O-N 3.46Å |
| 226 | Q | 90.9 | Very high | 82.7 | Confident | 114 Ų | 114 | 88.6 Ų | 88.6 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.1 | -171.2 | -177.2 | 7.2 | 0 | 0 | 111.9 | F222 A229 G230 | F222-Q226 WeakPolarHBondContact O-CB 3.46Å; F222-Q226 PolarHBondContact O-N 3.43Å; Q226-A229 PolarHBondContact O-N 3.39Å; Q226-G230 PolarHBondContact O-N 2.65Å |
| 227 | T | 88 | Confident | 81.1 | Confident | 27 Ų | 27 | 91.9 Ų | 91.9 | 17% | 0.166 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 177.9 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | I131 V132 F223 I224 A225 A229 G230 H231 F232 | I131-T227 HydrophobicContact CG2-CG2 4.4Å; V132-T227 WeakPolarHBondContact CG2-OG1 3.35Å; F223-T227 WeakPolarHBondContact O-CB 3.26Å; F223-T227 PolarHBondContact O-N 3.34Å; F223-T227 PolarHBondContact O-OG1 2.97Å; I224-T227 PolarHBondContact O-N 3.31Å; A225-T227 VanDerWaalsContact C-N 3.33Å; A225-T227 PolarHBondContact O-N 2.91Å; T227-A229 VanDerWaalsContact C-N 3.31Å; T227-A229 PolarHBondContact O-N 3.11Å; T227-G230 PolarHBondContact O-N 3.38Å; T227-H231 PolarHBondContact O-N 2.93Å; T227-H231 VanDerWaalsContact O-N 3.17Å; T227-F232 HydrophobicContact CG2-CE2 3.87Å; T227-F232 HydrophobicContact CG2-CZ 4.39Å; T227-F232 WeakPolarHBondContact O-CD2 3.41Å |
| 228 | I | 86.5 | Confident | 79.7 | Confident | 57 Ų | 57 | 97.5 Ų | 97.5 | 29% | 0.292 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 175.9 | -71.6 | 171.5 | 0 | 0 | 0 | 111.2 | I131 I224 A225 F232 L247 | I131-I228 HydrophobicContact CG2-CG1 4.42Å; I224-I228 HydrophobicContact CG2-CD1 3.6Å; I224-I228 HydrophobicContact CG2-CG1 4.32Å; I224-I228 WeakPolarHBondContact O-CB 3.37Å; I224-I228 VanDerWaalsContact O-CG1 3.24Å; I224-I228 WeakPolarHBondContact O-CG1 3.22Å; I224-I228 PolarHBondContact O-N 3.14Å; A225-I228 PolarHBondContact O-N 3.38Å; I228-F232 HydrophobicContact CG1-CD2 4.43Å; I228-F232 HydrophobicContact CG1-CE2 4.23Å; I228-L247 HydrophobicContact CD1-CD2 3.68Å |
| 229 | A | 85.1 | Confident | 78.5 | Confident | 91 Ų | 91 | 94.9 Ų | 94.9 | 75% | 0.752 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -71 | -39.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A225 Q226 T227 | A225-A229 WeakPolarHBondContact O-CB 3.38Å; A225-A229 PolarHBondContact O-N 3.46Å; Q226-A229 PolarHBondContact O-N 3.39Å; T227-A229 VanDerWaalsContact C-N 3.31Å; T227-A229 PolarHBondContact O-N 3.11Å |
| 230 | G | 74.1 | Confident | 77.3 | Confident | 57 Ų | 57 | 93 Ų | 93 | 59% | 0.588 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -88.2 | -30.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q226 T227 | Q226-G230 PolarHBondContact O-N 2.65Å; T227-G230 PolarHBondContact O-N 3.38Å |
| 231 | H | 65.9 | Low | 76.4 | Confident | 153 Ų | 153 | 100.6 Ų | 100.6 | 71% | 0.708 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -123 | -10.6 | -158 | -79.7 | 71 | 0 | 0 | 0 | 117.1 | T227 R233 | T227-H231 PolarHBondContact O-N 2.93Å; T227-H231 VanDerWaalsContact O-N 3.17Å; H231-R233 PolarHBondContact O-N 3.34Å |
| 232 | F | 61.1 | Low | 75.5 | Confident | 50 Ų | 50 | 106 Ų | 106 | 22% | 0.219 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 29.7 | -164.4 | -72.9 | -74.4 | 0 | 0 | 0 | 117.1 | I131 T227 I228 K234 E235 L240 | I131-F232 HydrophobicContact CG2-CE2 4.09Å; I131-F232 HydrophobicContact CG2-CZ 4.04Å; T227-F232 HydrophobicContact CG2-CE2 3.87Å; T227-F232 HydrophobicContact CG2-CZ 4.39Å; T227-F232 WeakPolarHBondContact O-CD2 3.41Å; I228-F232 HydrophobicContact CG1-CD2 4.43Å; I228-F232 HydrophobicContact CG1-CE2 4.23Å; F232-K234 VanDerWaalsContact C-N 3.26Å; F232-K234 PolarHBondContact O-N 3.27Å; F232-E235 HydrophobicContact CD1-CB 4.29Å; F232-E235 WeakPolarHBondContact CE1-OE2 3.48Å; F232-L240 HydrophobicContact CB-CD1 4.23Å; F232-L240 HydrophobicContact CD1-CD1 4Å; F232-L240 HydrophobicContact CD1-CD2 3.23Å; F232-L240 HydrophobicContact CD1-CG 4.22Å; F232-L240 HydrophobicContact CE1-CD2 3.39Å; F232-L240 HydrophobicContact CG-CD1 4.46Å; F232-L240 HydrophobicContact CG-CD2 4.02Å; F232-L240 HydrophobicContact CZ-CD2 4.29Å |
| 233 | R | 58.1 | Low | 74.6 | Confident | 256 Ų | 256 | 103.5 Ų | 103.5 | 97% | 0.966 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -8.8 | 171.4 | -130.1 | 178.5 | 80.1 | -173.2 | 4.7 | 114.1 | H231 | H231-R233 PolarHBondContact O-N 3.34Š|
| 234 | K | 57.7 | Low | 74 | Confident | 208 Ų | 208 | 107 Ų | 107 | 90% | 0.904 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -122.3 | -7.7 | -168.5 | -107.6 | -179.8 | 176.9 | -179.4 | 0 | 117.4 | F232 | F232-K234 VanDerWaalsContact C-N 3.26Å; F232-K234 PolarHBondContact O-N 3.27Å |
| 235 | E | 60.5 | Low | 73.6 | Confident | 90 Ų | 90 | 113.4 Ų | 113.4 | 42% | 0.421 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -90.1 | 145.2 | 180 | -91.2 | -165.9 | 171.5 | 0 | 0 | 113.2 | F232 I237 L240 R243 | F232-E235 HydrophobicContact CD1-CB 4.29Å; F232-E235 WeakPolarHBondContact CE1-OE2 3.48Å; E235-I237 PolarHBondContact O-N 3.16Å; E235-L240 HydrophobicContact CB-CD1 3.81Å; E235-L240 HydrophobicContact CB-CD2 4.21Å; E235-L240 HydrophobicContact CB-CG 3.98Å; E235-L240 VanDerWaalsContact OE2-CD2 3.27Å; E235-L240 WeakPolarHBondContact OE2-CD2 3.27Å; E235-R243 IonicContact OE1-NH1 3.94Å; E235-R243 IonicContact OE2-NH1 3.92Å; E235-R243 PolarHBondContact OE2-NH1 2.89Å; E235-R243 VanDerWaalsContact OE2-NH1 3.09Å |
| 236 | R | 59.6 | Low | 73.3 | Confident | 205 Ų | 205 | 111.2 Ų | 111.2 | 77% | 0.774 | 52% | 0.518 | S | S | * | . | trans | -51.4 | 119.8 | 178.4 | -169.5 | 177.4 | 180 | -179.2 | 0.9 | 111 | E238 G239 | R236-E238 IonicContact NE-OE2 2.84Å; R236-E238 IonicContact NH2-OE2 3.45Å; R236-E238 PolarHBondContact O-N 3.41Å; R236-G239 PolarHBondContact O-N 3.38Å; R236-G239 VanDerWaalsContact O-N 3.1Å | ||
| 237 | I | 62.8 | Low | 73.3 | Confident | 136 Ų | 136 | 106.6 Ų | 106.6 | 70% | 0.697 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -45.7 | -37 | -173.4 | -64.8 | 171.1 | 0 | 0 | 0 | 113.3 | E235 R241 | E235-I237 PolarHBondContact O-N 3.16Å; I237-R241 WeakPolarHBondContact O-CB 3.42Å; I237-R241 PolarHBondContact O-N 3.46Å |
| 238 | E | 67 | Low | 73.4 | Confident | 119 Ų | 119 | 108.1 Ų | 108.1 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70 | -41.1 | -175.9 | -63.9 | -176.2 | 156.8 | 0 | 0 | 114.3 | R236 R241 K242 | R236-E238 IonicContact NE-OE2 2.84Å; R236-E238 IonicContact NH2-OE2 3.45Å; R236-E238 PolarHBondContact O-N 3.41Å; E238-R241 PolarHBondContact O-N 2.96Å; E238-K242 PolarHBondContact O-N 2.89Å |
| 239 | G | 71.1 | Confident | 73.5 | Confident | 35 Ų | 35 | 105.6 Ų | 105.6 | 36% | 0.361 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R236 K242 R243 | R236-G239 PolarHBondContact O-N 3.38Å; R236-G239 VanDerWaalsContact O-N 3.1Å; G239-K242 PolarHBondContact O-N 3.4Å; G239-R243 WeakPolarHBondContact O-CG 3.37Å; G239-R243 PolarHBondContact O-N 3.41Å |
| 240 | L | 71.1 | Confident | 73.8 | Confident | 33 Ų | 33 | 101.3 Ų | 101.3 | 17% | 0.173 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 175.5 | -67.9 | 177.6 | 0 | 0 | 0 | 112.6 | F232 E235 K242 R243 R244 | F232-L240 HydrophobicContact CB-CD1 4.23Å; F232-L240 HydrophobicContact CD1-CD1 4Å; F232-L240 HydrophobicContact CD1-CD2 3.23Å; F232-L240 HydrophobicContact CD1-CG 4.22Å; F232-L240 HydrophobicContact CE1-CD2 3.39Å; F232-L240 HydrophobicContact CG-CD1 4.46Å; F232-L240 HydrophobicContact CG-CD2 4.02Å; F232-L240 HydrophobicContact CZ-CD2 4.29Å; E235-L240 HydrophobicContact CB-CD1 3.81Å; E235-L240 HydrophobicContact CB-CD2 4.21Å; E235-L240 HydrophobicContact CB-CG 3.98Å; E235-L240 VanDerWaalsContact OE2-CD2 3.27Å; E235-L240 WeakPolarHBondContact OE2-CD2 3.27Å; L240-K242 VanDerWaalsContact C-N 3.29Å; L240-K242 PolarHBondContact O-N 2.85Å; L240-R243 PolarHBondContact O-N 2.89Å; L240-R244 WeakPolarHBondContact O-CB 3.38Å; L240-R244 PolarHBondContact O-N 3.15Å |
| 241 | R | 76.6 | Confident | 74.7 | Confident | 168 Ų | 168 | 101.2 Ų | 101.2 | 63% | 0.634 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.4 | -40.5 | 177.6 | -174.2 | 179.6 | -105.1 | 177.1 | -5.4 | 111.5 | I237 E238 R245 | I237-R241 WeakPolarHBondContact O-CB 3.42Å; I237-R241 PolarHBondContact O-N 3.46Å; E238-R241 PolarHBondContact O-N 2.96Å; R241-R245 PolarHBondContact O-N 3.47Å |
| 242 | K | 75.3 | Confident | 76.1 | Confident | 149 Ų | 149 | 95.7 Ų | 95.7 | 65% | 0.648 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.6 | -45.4 | 175.2 | -71.2 | 177.3 | -176.5 | 172.8 | 0 | 111.9 | E238 G239 L240 R245 L246 | E238-K242 PolarHBondContact O-N 2.89Å; G239-K242 PolarHBondContact O-N 3.4Å; L240-K242 VanDerWaalsContact C-N 3.29Å; L240-K242 PolarHBondContact O-N 2.85Å; K242-R245 PolarHBondContact O-N 3.36Å; K242-L246 PolarHBondContact O-N 3.46Å |
| 243 | R | 77.5 | Confident | 77.6 | Confident | 80 Ų | 80 | 93.3 Ų | 93.3 | 30% | 0.302 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 177.1 | -72.2 | 178.4 | -179.4 | 166.8 | -0.9 | 111.8 | E235 G239 L240 L246 L247 | E235-R243 IonicContact OE1-NH1 3.94Å; E235-R243 IonicContact OE2-NH1 3.92Å; E235-R243 PolarHBondContact OE2-NH1 2.89Å; E235-R243 VanDerWaalsContact OE2-NH1 3.09Å; G239-R243 WeakPolarHBondContact O-CG 3.37Å; G239-R243 PolarHBondContact O-N 3.41Å; L240-R243 PolarHBondContact O-N 2.89Å; R243-L246 PolarHBondContact O-N 3.47Å; R243-L247 WeakPolarHBondContact O-CB 3.48Å; R243-L247 PolarHBondContact O-N 3.46Å |
| 244 | R | 81.9 | Confident | 79.4 | Confident | 159 Ų | 159 | 81.6 Ų | 81.6 | 60% | 0.6 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.6 | -41.4 | 177.9 | -170.5 | -178.6 | -69 | -172.3 | -2 | 111.8 | L240 L247 S248 | L240-R244 WeakPolarHBondContact O-CB 3.38Å; L240-R244 PolarHBondContact O-N 3.15Å; R244-L247 WeakPolarHBondContact O-CB 3.41Å; R244-L247 PolarHBondContact O-N 3.34Å; R244-S248 PolarHBondContact O-N 3.01Å; R244-S248 PolarHBondContact O-OG 2.95Å; R244-S248 VanDerWaalsContact O-OG 3.06Å |
| 245 | R | 84.3 | Confident | 81.2 | Confident | 137 Ų | 137 | 75.1 Ų | 75.1 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.7 | -48.8 | 174.9 | -89.1 | -177 | 175.5 | 168.2 | -1.3 | 112.4 | R241 K242 L247 S248 I249 | R241-R245 PolarHBondContact O-N 3.47Å; K242-R245 PolarHBondContact O-N 3.36Å; R245-L247 VanDerWaalsContact C-N 3.31Å; R245-L247 PolarHBondContact O-N 2.95Å; R245-S248 WeakPolarHBondContact O-CB 3.08Å; R245-S248 PolarHBondContact O-N 3.47Å; R245-I249 WeakPolarHBondContact O-CG1 3.39Å; R245-I249 PolarHBondContact O-N 3.4Å |
| 246 | L | 85.1 | Confident | 82.9 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64 | -39.6 | 178.3 | -176.7 | 58.3 | 0 | 0 | 0 | 111.4 | A64 R127 K242 R243 I249 I250 | A64-L246 HydrophobicContact CB-CD1 4.24Å; A64-L246 HydrophobicContact CB-CD2 4.01Å; R127-L246 VanDerWaalsContact CZ-CD2 3.41Å; K242-L246 PolarHBondContact O-N 3.46Å; R243-L246 PolarHBondContact O-N 3.47Å; L246-I249 PolarHBondContact O-N 2.81Å; L246-I250 HydrophobicContact CD1-CD1 4.05Å; L246-I250 HydrophobicContact CD1-CG1 4.33Å; L246-I250 HydrophobicContact CG-CD1 3.9Å; L246-I250 VanDerWaalsContact O-CG1 3.29Å; L246-I250 WeakPolarHBondContact O-CG1 3.41Å; L246-I250 PolarHBondContact O-N 3.15Å; L246-I250 VanDerWaalsContact O-N 3.09Å |
| 247 | L | 89.8 | Confident | 84.6 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 172.9 | -176.7 | 68.7 | 0 | 0 | 0 | 111.6 | R127 I131 Y221 I224 I228 R243 R244 R245 I249 I250 V251 | R127-L247 HydrophobicContact CB-CD1 4.31Å; R127-L247 HydrophobicContact CG-CD1 4.43Å; I131-L247 HydrophobicContact CD1-CD2 4.38Å; Y221-L247 HydrophobicContact CD1-CD1 4.07Å; Y221-L247 HydrophobicContact CE1-CD1 3.64Å; I224-L247 HydrophobicContact CD1-CD1 4.1Å; I224-L247 HydrophobicContact CG2-CD1 4.04Å; I224-L247 HydrophobicContact CG2-CD2 3.67Å; I228-L247 HydrophobicContact CD1-CD2 3.68Å; R243-L247 WeakPolarHBondContact O-CB 3.48Å; R243-L247 PolarHBondContact O-N 3.46Å; R244-L247 WeakPolarHBondContact O-CB 3.41Å; R244-L247 PolarHBondContact O-N 3.34Å; R245-L247 VanDerWaalsContact C-N 3.31Å; R245-L247 PolarHBondContact O-N 2.95Å; L247-I249 VanDerWaalsContact C-N 3.34Å; L247-I249 PolarHBondContact O-N 3.47Å; L247-I250 PolarHBondContact O-N 3.43Å; L247-V251 HydrophobicContact CD1-CG2 4.36Å; L247-V251 HydrophobicContact CG-CG2 4.3Å; L247-V251 VanDerWaalsContact O-CG2 3.29Å; L247-V251 WeakPolarHBondContact O-CG2 3.26Å; L247-V251 PolarHBondContact O-N 2.91Å |
| 248 | S | 90 | Very high | 86.2 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 177.5 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | R244 R245 V251 V252 | R244-S248 PolarHBondContact O-N 3.01Å; R244-S248 PolarHBondContact O-OG 2.95Å; R244-S248 VanDerWaalsContact O-OG 3.06Å; R245-S248 WeakPolarHBondContact O-CB 3.08Å; R245-S248 PolarHBondContact O-N 3.47Å; S248-V251 PolarHBondContact O-N 3.18Å; S248-V252 VanDerWaalsContact O-CG2 3.29Å; S248-V252 WeakPolarHBondContact O-CG2 3.3Å; S248-V252 PolarHBondContact O-N 3.28Å |
| 249 | I | 89.8 | Confident | 87.6 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 176 | -64.2 | 159.5 | 0 | 0 | 0 | 110.2 | R245 L246 L247 V252 L253 Y309 F312 D313 | R245-I249 WeakPolarHBondContact O-CG1 3.39Å; R245-I249 PolarHBondContact O-N 3.4Å; L246-I249 PolarHBondContact O-N 2.81Å; L247-I249 VanDerWaalsContact C-N 3.34Å; L247-I249 PolarHBondContact O-N 3.47Å; I249-V252 PolarHBondContact O-N 2.99Å; I249-L253 HydrophobicContact CG2-CD1 4.19Å; I249-L253 WeakPolarHBondContact O-CG 3.46Å; I249-L253 PolarHBondContact O-N 2.87Å; I249-Y309 HydrophobicContact CG2-CD1 4.05Å; I249-Y309 HydrophobicContact CG2-CE1 4.03Å; I249-F312 WeakPolarHBondContact CD1-O 3.11Å; I249-F312 HydrophobicContact CG1-CB 3.7Å; I249-F312 WeakPolarHBondContact CG1-O 3.3Å; I249-D313 HydrophobicContact CD1-CB 3.66Å; I249-D313 HydrophobicContact CG1-CB 4.47Å |
| 250 | I | 89.6 | Confident | 88.8 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.6 | -39.1 | -175.6 | -57.8 | 163.2 | 0 | 0 | 0 | 110.8 | L123 R127 Y221 L246 L247 V252 L253 V254 | L123-I250 HydrophobicContact CB-CD1 4.15Å; L123-I250 HydrophobicContact CB-CG1 4.36Å; L123-I250 HydrophobicContact CB-CG2 3.82Å; L123-I250 HydrophobicContact CD2-CD1 4.17Å; L123-I250 HydrophobicContact CD2-CG1 4.5Å; R127-I250 HydrophobicContact CG-CD1 3.31Å; Y221-I250 WeakPolarHBondContact OH-CG2 3.07Å; L246-I250 HydrophobicContact CD1-CD1 4.05Å; L246-I250 HydrophobicContact CD1-CG1 4.33Å; L246-I250 HydrophobicContact CG-CD1 3.9Å; L246-I250 VanDerWaalsContact O-CG1 3.29Å; L246-I250 WeakPolarHBondContact O-CG1 3.41Å; L246-I250 PolarHBondContact O-N 3.15Å; L246-I250 VanDerWaalsContact O-N 3.09Å; L247-I250 PolarHBondContact O-N 3.43Å; I250-V252 VanDerWaalsContact C-N 3.32Å; I250-V252 PolarHBondContact O-N 3.27Å; I250-L253 WeakPolarHBondContact O-CB 3.37Å; I250-L253 PolarHBondContact O-N 3.34Å; I250-V254 HydrophobicContact CG2-CG2 4.37Å; I250-V254 WeakPolarHBondContact O-CG2 3.25Å; I250-V254 PolarHBondContact O-N 3.37Å |
| 251 | V | 94 | Very high | 90.1 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.5 | -45.3 | 173.7 | 170 | 0 | 0 | 0 | 0 | 110.7 | Y221 L247 S248 L253 V254 V255 | Y221-V251 HydrophobicContact CD1-CG2 3.89Å; Y221-V251 HydrophobicContact CE1-CG2 3.35Å; L247-V251 HydrophobicContact CD1-CG2 4.36Å; L247-V251 HydrophobicContact CG-CG2 4.3Å; L247-V251 VanDerWaalsContact O-CG2 3.29Å; L247-V251 WeakPolarHBondContact O-CG2 3.26Å; L247-V251 PolarHBondContact O-N 2.91Å; S248-V251 PolarHBondContact O-N 3.18Å; V251-L253 VanDerWaalsContact C-N 3.35Å; V251-L253 PolarHBondContact O-N 2.88Å; V251-V254 PolarHBondContact O-N 2.95Å; V251-V255 HydrophobicContact CG1-CG2 4.29Å; V251-V255 VanDerWaalsContact O-CG2 3.31Å; V251-V255 WeakPolarHBondContact O-CG2 3.2Å; V251-V255 PolarHBondContact O-N 3.24Å |
| 252 | V | 94.6 | Very high | 91 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 22% | 0.218 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 177.9 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | S248 I249 I250 V255 T256 L308 F312 | S248-V252 VanDerWaalsContact O-CG2 3.29Å; S248-V252 WeakPolarHBondContact O-CG2 3.3Å; S248-V252 PolarHBondContact O-N 3.28Å; I249-V252 PolarHBondContact O-N 2.99Å; I250-V252 VanDerWaalsContact C-N 3.32Å; I250-V252 PolarHBondContact O-N 3.27Å; V252-V255 PolarHBondContact O-N 3.37Å; V252-T256 WeakPolarHBondContact O-CB 3.33Å; V252-T256 PolarHBondContact O-N 3.11Å; V252-T256 PolarHBondContact O-OG1 3.29Å; V252-L308 HydrophobicContact CG1-CD1 4.16Å; V252-L308 HydrophobicContact CG1-CD2 3.62Å; V252-L308 HydrophobicContact CG1-CG 4.32Å; V252-F312 HydrophobicContact CG1-CD2 4.11Å; V252-F312 HydrophobicContact CG1-CE2 3.82Å; V252-F312 HydrophobicContact CG1-CZ 4.35Å; V252-F312 HydrophobicContact CG2-CD1 4.49Å; V252-F312 HydrophobicContact CG2-CE1 4.19Å; V252-F312 HydrophobicContact CG2-CE2 4.27Å; V252-F312 HydrophobicContact CG2-CZ 4.08Å |
| 253 | L | 94.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.7 | -68.1 | 170.7 | 0 | 0 | 0 | 111.7 | L120 I249 I250 V251 T256 F257 N305 L308 Y309 | L120-L253 HydrophobicContact CD2-CB 3.72Å; L120-L253 HydrophobicContact CD2-CD1 4.37Å; I249-L253 HydrophobicContact CG2-CD1 4.19Å; I249-L253 WeakPolarHBondContact O-CG 3.46Å; I249-L253 PolarHBondContact O-N 2.87Å; I250-L253 WeakPolarHBondContact O-CB 3.37Å; I250-L253 PolarHBondContact O-N 3.34Å; V251-L253 VanDerWaalsContact C-N 3.35Å; V251-L253 PolarHBondContact O-N 2.88Å; L253-T256 PolarHBondContact O-N 3.45Å; L253-F257 WeakPolarHBondContact O-CB 2.97Å; L253-F257 PolarHBondContact O-N 3.11Å; L253-N305 HydrophobicContact CD2-CB 4.43Å; L253-N305 WeakPolarHBondContact CD2-OD1 3.38Å; L253-L308 HydrophobicContact CD2-CB 4.21Å; L253-L308 HydrophobicContact CD2-CD1 3.77Å; L253-Y309 HydrophobicContact CD1-CE1 3.84Å; L253-Y309 HydrophobicContact CD2-CE1 4.31Å |
| 254 | V | 95 | Very high | 93 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -42.9 | 179.6 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | L120 F214 M217 Y221 I250 V251 F257 A258 | L120-V254 HydrophobicContact CB-CG2 4.41Å; L120-V254 HydrophobicContact CD2-CG2 4.43Å; F214-V254 HydrophobicContact CE2-CG1 4.25Å; M217-V254 HydrophobicContact CB-CG1 4.48Å; M217-V254 HydrophobicContact CE-CG1 3.99Å; M217-V254 HydrophobicContact SD-CB 4.32Å; M217-V254 HydrophobicContact SD-CG1 3.87Å; M217-V254 HydrophobicContact SD-CG2 3.48Å; M217-V254 WeakPolarHBondContact SD-CG2 3.24Å; Y221-V254 HydrophobicContact CE2-CB 4.32Å; Y221-V254 HydrophobicContact CE2-CG1 4.21Å; Y221-V254 HydrophobicContact CE2-CG2 4.07Å; I250-V254 HydrophobicContact CG2-CG2 4.37Å; I250-V254 WeakPolarHBondContact O-CG2 3.25Å; I250-V254 PolarHBondContact O-N 3.37Å; V251-V254 PolarHBondContact O-N 2.95Å; V254-F257 PolarHBondContact O-N 3.33Å; V254-A258 WeakPolarHBondContact O-CB 3.38Å; V254-A258 PolarHBondContact O-N 3.28Å |
| 255 | V | 96.2 | Very high | 93.7 | Very high | 73 Ų | 73 | 35.6 Ų | 35.6 | 44% | 0.442 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 176.1 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | V251 V252 A258 L259 | V251-V255 HydrophobicContact CG1-CG2 4.29Å; V251-V255 VanDerWaalsContact O-CG2 3.31Å; V251-V255 WeakPolarHBondContact O-CG2 3.2Å; V251-V255 PolarHBondContact O-N 3.24Å; V252-V255 PolarHBondContact O-N 3.37Å; V255-A258 PolarHBondContact O-N 3.18Å; V255-L259 HydrophobicContact CG1-CD1 3.88Å; V255-L259 HydrophobicContact CG1-CG 4.35Å; V255-L259 WeakPolarHBondContact O-CB 3.5Å; V255-L259 VanDerWaalsContact O-CG 3.31Å; V255-L259 WeakPolarHBondContact O-CG 3.48Å; V255-L259 PolarHBondContact O-N 3.35Å |
| 256 | T | 96.1 | Very high | 94.3 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 14% | 0.135 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 178.6 | -55 | 0 | 0 | 0 | 0 | 111.1 | V252 L253 A258 L259 C260 L304 L308 | V252-T256 WeakPolarHBondContact O-CB 3.33Å; V252-T256 PolarHBondContact O-N 3.11Å; V252-T256 PolarHBondContact O-OG1 3.29Å; L253-T256 PolarHBondContact O-N 3.45Å; T256-A258 VanDerWaalsContact C-N 3.33Å; T256-A258 PolarHBondContact O-N 2.93Å; T256-L259 PolarHBondContact O-N 3.03Å; T256-C260 WeakPolarHBondContact O-CB 3.47Å; T256-C260 PolarHBondContact O-N 2.86Å; T256-C260 PolarHBondContact O-SG 3.01Å; T256-L304 HydrophobicContact CG2-CB 4.22Å; T256-L304 HydrophobicContact CG2-CD1 3.54Å; T256-L308 HydrophobicContact CG2-CD1 4.04Å; T256-L308 WeakPolarHBondContact OG1-CD1 3.33Å |
| 257 | F | 94.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.6 | -47.5 | 174.8 | 178.6 | -87 | 0 | 0 | 0 | 111.3 | V117 L120 F210 L253 V254 C260 W261 N301 | V117-F257 HydrophobicContact CB-CE1 4.12Å; V117-F257 HydrophobicContact CB-CE2 4.11Å; V117-F257 HydrophobicContact CB-CZ 3.56Å; V117-F257 HydrophobicContact CG2-CD1 4.43Å; V117-F257 HydrophobicContact CG2-CE1 3.55Å; V117-F257 HydrophobicContact CG2-CE2 4.4Å; V117-F257 HydrophobicContact CG2-CZ 3.55Å; L120-F257 HydrophobicContact CD1-CB 3.49Å; L120-F257 VanDerWaalsContact CD1-CB 3.49Å; L120-F257 HydrophobicContact CD1-CD1 4.19Å; L120-F257 HydrophobicContact CD1-CD2 3.61Å; L120-F257 HydrophobicContact CD1-CE2 4.43Å; L120-F257 HydrophobicContact CD1-CG 3.48Å; L120-F257 VanDerWaalsContact CD1-CG 3.48Å; F210-F257 HydrophobicContact CD2-CE1 4.22Å; L253-F257 WeakPolarHBondContact O-CB 2.97Å; L253-F257 PolarHBondContact O-N 3.11Å; V254-F257 PolarHBondContact O-N 3.33Å; F257-C260 PolarHBondContact O-N 2.92Å; F257-W261 AromaticContact CD2-CD1 3.44Å; F257-W261 VanDerWaalsContact CD2-CD1 3.44Å; F257-W261 HydrophobicContact CD2-CG 4.36Å; F257-W261 AromaticContact CD2-NE1 3.76Å; F257-W261 HydrophobicContact CE1-CB 4.23Å; F257-W261 HydrophobicContact CE1-CG 4.26Å; F257-W261 AromaticContact CE2-CD1 3.3Å; F257-W261 HydrophobicContact CE2-CD2 4.39Å; F257-W261 AromaticContact CE2-CG 3.92Å; F257-W261 HydrophobicContact CE2-CG 3.92Å; F257-W261 AromaticContact CE2-NE1 3.43Å; F257-W261 AromaticContact CG-CD1 3.96Å; F257-W261 HydrophobicContact CZ-CB 4.25Å; F257-W261 AromaticContact CZ-CD1 3.68Å; F257-W261 HydrophobicContact CZ-CD2 4.37Å; F257-W261 AromaticContact CZ-CG 3.84Å; F257-W261 HydrophobicContact CZ-CG 3.84Å; F257-W261 WeakPolarHBondContact O-CB 3.28Å; F257-W261 PolarHBondContact O-N 2.76Å; F257-N301 WeakPolarHBondContact CA-OD1 3.06Å |
| 258 | A | 95.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F214 V254 V255 T256 C260 W261 M262 | F214-A258 HydrophobicContact CD2-CB 4.34Å; F214-A258 HydrophobicContact CE2-CB 3.61Å; F214-A258 HydrophobicContact CZ-CB 4.14Å; V254-A258 WeakPolarHBondContact O-CB 3.38Å; V254-A258 PolarHBondContact O-N 3.28Å; V255-A258 PolarHBondContact O-N 3.18Å; T256-A258 VanDerWaalsContact C-N 3.33Å; T256-A258 PolarHBondContact O-N 2.93Å; A258-C260 VanDerWaalsContact C-N 3.27Å; A258-C260 PolarHBondContact O-N 3.47Å; A258-W261 PolarHBondContact O-N 3.02Å; A258-M262 WeakPolarHBondContact O-CA 3.44Å; A258-M262 WeakPolarHBondContact O-CB 3.4Å; A258-M262 PolarHBondContact O-N 2.83Å |
| 259 | L | 97.1 | Very high | 95.3 | Very high | 119 Ų | 119 | 33.7 Ų | 33.7 | 62% | 0.623 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -62.8 | -34 | 178.3 | -69.7 | 173.4 | 0 | 0 | 0 | 112.5 | V255 T256 P263 | V255-L259 HydrophobicContact CG1-CD1 3.88Å; V255-L259 HydrophobicContact CG1-CG 4.35Å; V255-L259 WeakPolarHBondContact O-CB 3.5Å; V255-L259 VanDerWaalsContact O-CG 3.31Å; V255-L259 WeakPolarHBondContact O-CG 3.48Å; V255-L259 PolarHBondContact O-N 3.35Å; T256-L259 PolarHBondContact O-N 3.03Å; L259-P263 VanDerWaalsContact O-CD 3.25Å; L259-P263 WeakPolarHBondContact O-CD 3.42Å |
| 260 | C | 97.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -79.1 | -40.2 | -179.3 | -64 | 0 | 0 | 0 | 0 | 113 | T256 F257 A258 I297 S298 N301 | T256-C260 WeakPolarHBondContact O-CB 3.47Å; T256-C260 PolarHBondContact O-N 2.86Å; T256-C260 PolarHBondContact O-SG 3.01Å; F257-C260 PolarHBondContact O-N 2.92Å; A258-C260 VanDerWaalsContact C-N 3.27Å; A258-C260 PolarHBondContact O-N 3.47Å; C260-I297 HydrophobicContact CB-CG2 4.33Å; C260-S298 VanDerWaalsContact O-CA 3.32Å; C260-S298 WeakPolarHBondContact O-CA 3.38Å; C260-S298 WeakPolarHBondContact O-CB 3.35Å; C260-S298 PolarHBondContact O-N 3.46Å; C260-N301 HydrophobicContact CB-CB 3.77Å |
| 261 | W | 97.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -93.7 | -26.2 | -173.7 | -77.4 | 91 | 0 | 0 | 0 | 114.3 | M113 F210 F257 A258 Y264 H265 | M113-W261 HydrophobicContact CB-CH2 3.56Å; M113-W261 HydrophobicContact CB-CZ2 4.06Å; M113-W261 HydrophobicContact CB-CZ3 4.02Å; M113-W261 HydrophobicContact CG-CE3 3.98Å; M113-W261 HydrophobicContact CG-CH2 3.53Å; M113-W261 HydrophobicContact CG-CZ2 4.08Å; M113-W261 HydrophobicContact CG-CZ3 3.47Å; M113-W261 VanDerWaalsContact CG-CZ3 3.47Å; M113-W261 HydrophobicContact SD-CE3 4.06Å; M113-W261 HydrophobicContact SD-CH2 3.98Å; M113-W261 HydrophobicContact SD-CZ3 3.42Å; M113-W261 WeakPolarHBondContact SD-CZ3 3.45Å; F210-W261 HydrophobicContact CD2-CB 4.19Å; F210-W261 HydrophobicContact CE2-CB 4.21Å; F257-W261 AromaticContact CD2-CD1 3.44Å; F257-W261 VanDerWaalsContact CD2-CD1 3.44Å; F257-W261 HydrophobicContact CD2-CG 4.36Å; F257-W261 AromaticContact CD2-NE1 3.76Å; F257-W261 HydrophobicContact CE1-CB 4.23Å; F257-W261 HydrophobicContact CE1-CG 4.26Å; F257-W261 AromaticContact CE2-CD1 3.3Å; F257-W261 HydrophobicContact CE2-CD2 4.39Å; F257-W261 AromaticContact CE2-CG 3.92Å; F257-W261 HydrophobicContact CE2-CG 3.92Å; F257-W261 AromaticContact CE2-NE1 3.43Å; F257-W261 AromaticContact CG-CD1 3.96Å; F257-W261 HydrophobicContact CZ-CB 4.25Å; F257-W261 AromaticContact CZ-CD1 3.68Å; F257-W261 HydrophobicContact CZ-CD2 4.37Å; F257-W261 AromaticContact CZ-CG 3.84Å; F257-W261 HydrophobicContact CZ-CG 3.84Å; F257-W261 WeakPolarHBondContact O-CB 3.28Å; F257-W261 PolarHBondContact O-N 2.76Å; A258-W261 PolarHBondContact O-N 3.02Å; W261-Y264 HydrophobicContact CE3-CD1 4.11Å; W261-Y264 HydrophobicContact CZ3-CD1 4.19Å; W261-Y264 HydrophobicContact CZ3-CE1 4.4Å; W261-Y264 PolarHBondContact O-N 3.5Å; W261-H265 AromaticContact CE3-NE2 3.75Å; W261-H265 PolarHBondContact O-CD2 2.72Å; W261-H265 VanDerWaalsContact O-CD2 3.29Å; W261-H265 PolarHBondContact O-N 3.06Å; W261-H265 VanDerWaalsContact O-N 3.11Å |
| 262 | M | 96.8 | Very high | 95.4 | Very high | 103 Ų | 103 | 37.2 Ų | 37.2 | 51% | 0.507 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.5 | -45.2 | -179.2 | -178.2 | 178.2 | 178.3 | 0 | 0 | 113.1 | F210 A258 Y264 H265 L266 | F210-M262 HydrophobicContact CE2-CB 4.13Å; F210-M262 HydrophobicContact CZ-CB 3.68Å; F210-M262 HydrophobicContact CZ-CG 4.08Å; A258-M262 WeakPolarHBondContact O-CA 3.44Å; A258-M262 WeakPolarHBondContact O-CB 3.4Å; A258-M262 PolarHBondContact O-N 2.83Å; M262-Y264 VanDerWaalsContact C-N 3.32Å; M262-Y264 PolarHBondContact O-N 2.93Å; M262-H265 PolarHBondContact O-N 3.02Å; M262-L266 VanDerWaalsContact O-CB 3.24Å; M262-L266 WeakPolarHBondContact O-CB 3.07Å; M262-L266 PolarHBondContact O-N 2.77Å |
| 263 | P | 97.5 | Very high | 95.3 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 25% | 0.253 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.2 | -41.3 | 179.3 | -23.6 | 34.9 | 0 | 0 | 0 | 112.5 | L259 L266 V267 C294 | L259-P263 VanDerWaalsContact O-CD 3.25Å; L259-P263 WeakPolarHBondContact O-CD 3.42Å; P263-L266 PolarHBondContact O-N 3.49Å; P263-V267 WeakPolarHBondContact O-CB 3.45Å; P263-V267 WeakPolarHBondContact O-CG2 3.05Å; P263-V267 PolarHBondContact O-N 3.37Å; P263-C294 HydrophobicContact CB-CB 4.1Å |
| 264 | Y | 97.1 | Very high | 95 | Very high | 27 Ų | 27 | 38.9 Ų | 38.9 | 11% | 0.106 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -51.8 | 177 | 170.5 | -94.2 | 0 | 0 | 0 | 111.7 | W261 M262 L266 K268 F291 | W261-Y264 HydrophobicContact CE3-CD1 4.11Å; W261-Y264 HydrophobicContact CZ3-CD1 4.19Å; W261-Y264 HydrophobicContact CZ3-CE1 4.4Å; W261-Y264 PolarHBondContact O-N 3.5Å; M262-Y264 VanDerWaalsContact C-N 3.32Å; M262-Y264 PolarHBondContact O-N 2.93Å; Y264-L266 VanDerWaalsContact C-N 3.33Å; Y264-L266 PolarHBondContact O-N 3.31Å; Y264-K268 HydrophobicContact CE1-CD 4.25Å; Y264-K268 VanDerWaalsContact O-CB 3.25Å; Y264-K268 WeakPolarHBondContact O-CB 3.46Å; Y264-K268 PolarHBondContact O-N 3.22Å; Y264-F291 AromaticContact CD2-CE2 3.91Å; Y264-F291 HydrophobicContact CD2-CE2 3.91Å; Y264-F291 HydrophobicContact CD2-CZ 4.22Å; Y264-F291 AromaticContact CE2-CE2 3.71Å; Y264-F291 HydrophobicContact CE2-CE2 3.71Å; Y264-F291 AromaticContact CE2-CZ 3.64Å; Y264-F291 HydrophobicContact CE2-CZ 3.64Å |
| 265 | H | 96.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.023 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -36.7 | -179.9 | -75.9 | -66.9 | 0 | 0 | 0 | 112.4 | T206 F210 W261 M262 T269 | T206-H265 HydrophobicContact CG2-CB 3.97Å; T206-H265 PolarHBondContact OG1-ND1 2.75Å; F210-H265 AromaticContact CD2-CD2 3.65Å; F210-H265 HydrophobicContact CG-CB 4.5Å; F210-H265 AromaticContact CG-CD2 3.69Å; W261-H265 AromaticContact CE3-NE2 3.75Å; W261-H265 PolarHBondContact O-CD2 2.72Å; W261-H265 VanDerWaalsContact O-CD2 3.29Å; W261-H265 PolarHBondContact O-N 3.06Å; W261-H265 VanDerWaalsContact O-N 3.11Å; M262-H265 PolarHBondContact O-N 3.02Å; H265-T269 VanDerWaalsContact O-CB 3.27Å; H265-T269 WeakPolarHBondContact O-CB 3.5Å; H265-T269 PolarHBondContact O-N 2.98Å; H265-T269 PolarHBondContact O-OG1 2.03Å |
| 266 | L | 96.7 | Very high | 93.9 | Very high | 88 Ų | 88 | 42 Ų | 42 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.6 | -55.4 | 177.8 | 179.9 | 61.8 | 0 | 0 | 0 | 110.9 | M262 P263 Y264 K268 T269 L270 | M262-L266 VanDerWaalsContact O-CB 3.24Å; M262-L266 WeakPolarHBondContact O-CB 3.07Å; M262-L266 PolarHBondContact O-N 2.77Å; P263-L266 PolarHBondContact O-N 3.49Å; Y264-L266 VanDerWaalsContact C-N 3.33Å; Y264-L266 PolarHBondContact O-N 3.31Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 3.25Å; L266-T269 PolarHBondContact O-N 3.44Å; L266-T269 VanDerWaalsContact O-N 3.14Å; L266-L270 HydrophobicContact CD1-CD1 3.97Å; L266-L270 HydrophobicContact CD1-CG 4.1Å; L266-L270 HydrophobicContact CG-CD1 3.86Å; L266-L270 HydrophobicContact CG-CG 4.38Å; L266-L270 WeakPolarHBondContact O-CB 3.17Å; L266-L270 VanDerWaalsContact O-CG 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.34Å; L266-L270 PolarHBondContact O-N 3.31Å |
| 267 | V | 96.7 | Very high | 93.6 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | -179.3 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | P263 T269 L270 Y271 L287 V290 F291 | P263-V267 WeakPolarHBondContact O-CB 3.45Å; P263-V267 WeakPolarHBondContact O-CG2 3.05Å; P263-V267 PolarHBondContact O-N 3.37Å; V267-T269 VanDerWaalsContact C-N 3.33Å; V267-T269 PolarHBondContact O-N 2.74Å; V267-L270 PolarHBondContact O-N 3.04Å; V267-Y271 WeakPolarHBondContact O-CB 3.24Å; V267-Y271 PolarHBondContact O-N 3.49Å; V267-L287 HydrophobicContact CG1-CB 4.24Å; V267-L287 HydrophobicContact CG1-CD2 4.06Å; V267-V290 HydrophobicContact CG1-CG1 4.02Å; V267-V290 HydrophobicContact CG2-CG1 3.84Å; V267-F291 HydrophobicContact CB-CD2 4.49Å; V267-F291 HydrophobicContact CG1-CB 4.07Å; V267-F291 HydrophobicContact CG1-CD2 3.87Å; V267-F291 HydrophobicContact CG1-CG 4.48Å |
| 268 | K | 94.3 | Very high | 93.4 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 176 | -174.1 | 176 | -178.4 | -177.7 | 0 | 112.5 | Y264 L266 M272 F291 | Y264-K268 HydrophobicContact CE1-CD 4.25Å; Y264-K268 VanDerWaalsContact O-CB 3.25Å; Y264-K268 WeakPolarHBondContact O-CB 3.46Å; Y264-K268 PolarHBondContact O-N 3.22Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 3.25Å; K268-M272 HydrophobicContact CG-CE 4.27Å; K268-M272 WeakPolarHBondContact O-CG 3.34Å; K268-M272 PolarHBondContact O-N 3.16Å; K268-M272 VanDerWaalsContact O-N 3.13Å; K268-F291 HydrophobicContact CB-CE2 4.34Å |
| 269 | T | 94.7 | Very high | 93.2 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.3 | -40.5 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | H265 L266 V267 Y271 M272 L273 | H265-T269 VanDerWaalsContact O-CB 3.27Å; H265-T269 WeakPolarHBondContact O-CB 3.5Å; H265-T269 PolarHBondContact O-N 2.98Å; H265-T269 PolarHBondContact O-OG1 2.03Å; L266-T269 PolarHBondContact O-N 3.44Å; L266-T269 VanDerWaalsContact O-N 3.14Å; V267-T269 VanDerWaalsContact C-N 3.33Å; V267-T269 PolarHBondContact O-N 2.74Å; T269-Y271 VanDerWaalsContact C-N 3.34Å; T269-M272 PolarHBondContact O-N 2.92Å; T269-L273 HydrophobicContact CG2-CD1 4.16Å; T269-L273 HydrophobicContact CG2-CG 4.49Å; T269-L273 WeakPolarHBondContact O-CB 3.42Å; T269-L273 WeakPolarHBondContact O-CG 3.11Å; T269-L273 PolarHBondContact O-N 3.41Å |
| 270 | L | 95 | Very high | 93 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 174.7 | -71.1 | 173.4 | 0 | 0 | 0 | 111.4 | L266 V267 L273 G274 W279 L287 | L266-L270 HydrophobicContact CD1-CD1 3.97Å; L266-L270 HydrophobicContact CD1-CG 4.1Å; L266-L270 HydrophobicContact CG-CD1 3.86Å; L266-L270 HydrophobicContact CG-CG 4.38Å; L266-L270 WeakPolarHBondContact O-CB 3.17Å; L266-L270 VanDerWaalsContact O-CG 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.34Å; L266-L270 PolarHBondContact O-N 3.31Å; V267-L270 PolarHBondContact O-N 3.04Å; L270-L273 PolarHBondContact O-N 2.98Å; L270-G274 PolarHBondContact O-N 3.08Å; L270-W279 HydrophobicContact CB-CZ3 4.03Å; L270-W279 HydrophobicContact CD2-CH2 3.54Å; L270-W279 HydrophobicContact CD2-CZ3 3.73Å; L270-W279 HydrophobicContact CG-CZ3 4.46Å; L270-W279 WeakPolarHBondContact O-CZ3 3.34Å; L270-L287 HydrophobicContact CB-CD1 3.9Å; L270-L287 HydrophobicContact CB-CD2 4.05Å; L270-L287 HydrophobicContact CD1-CD2 4.16Å |
| 271 | Y | 91.4 | Very high | 92.7 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 33% | 0.333 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 176.5 | -174.7 | -99.3 | 0 | 0 | 0 | 111.8 | V267 T269 L273 G274 S275 L287 M288 | V267-Y271 WeakPolarHBondContact O-CB 3.24Å; V267-Y271 PolarHBondContact O-N 3.49Å; T269-Y271 VanDerWaalsContact C-N 3.34Å; Y271-L273 VanDerWaalsContact C-N 3.33Å; Y271-L273 PolarHBondContact O-N 3.16Å; Y271-G274 PolarHBondContact O-N 3.38Å; Y271-S275 PolarHBondContact O-N 3Å; Y271-L287 HydrophobicContact CD2-CB 4.49Å; Y271-M288 HydrophobicContact CE2-CG 3.98Å |
| 272 | M | 89.5 | Confident | 92.4 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -33.1 | 175.6 | -68.6 | -176.6 | -60.7 | 0 | 0 | 113.3 | V199 V203 K268 T269 S275 L276 | V199-M272 HydrophobicContact CG2-CB 4.37Å; V199-M272 HydrophobicContact CG2-CG 4.43Å; V203-M272 HydrophobicContact CG2-CE 3.86Å; V203-M272 HydrophobicContact CG2-SD 4.26Å; K268-M272 HydrophobicContact CG-CE 4.27Å; K268-M272 WeakPolarHBondContact O-CG 3.34Å; K268-M272 PolarHBondContact O-N 3.16Å; K268-M272 VanDerWaalsContact O-N 3.13Å; T269-M272 PolarHBondContact O-N 2.92Å; M272-S275 PolarHBondContact O-OG 3.05Å; M272-S275 VanDerWaalsContact O-OG 3.06Å; M272-L276 WeakPolarHBondContact O-CG 3.49Å |
| 273 | L | 90.8 | Very high | 92.2 | Very high | 71 Ų | 71 | 60.2 Ų | 60.2 | 37% | 0.372 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -76.7 | -34 | 175.9 | -72.8 | 174.8 | 0 | 0 | 0 | 111.8 | T269 L270 Y271 S275 L276 L277 | T269-L273 HydrophobicContact CG2-CD1 4.16Å; T269-L273 HydrophobicContact CG2-CG 4.49Å; T269-L273 WeakPolarHBondContact O-CB 3.42Å; T269-L273 WeakPolarHBondContact O-CG 3.11Å; T269-L273 PolarHBondContact O-N 3.41Å; L270-L273 PolarHBondContact O-N 2.98Å; Y271-L273 VanDerWaalsContact C-N 3.33Å; Y271-L273 PolarHBondContact O-N 3.16Å; L273-S275 VanDerWaalsContact C-N 3.34Å; L273-S275 PolarHBondContact O-N 3.01Å; L273-L276 PolarHBondContact O-N 3.19Å; L273-L277 HydrophobicContact CB-CD1 4.32Å; L273-L277 VanDerWaalsContact O-CB 3.24Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.47Å; L273-L277 PolarHBondContact O-N 3.26Å |
| 274 | G | 88.8 | Confident | 91.9 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L270 Y271 L276 L277 H278 W279 | L270-G274 PolarHBondContact O-N 3.08Å; Y271-G274 PolarHBondContact O-N 3.38Å; G274-L276 VanDerWaalsContact C-N 3.33Å; G274-L276 PolarHBondContact O-N 3.11Å; G274-L277 PolarHBondContact O-N 3.01Å; G274-H278 WeakPolarHBondContact O-CA 3.16Å; G274-H278 PolarHBondContact O-N 3.01Å; G274-W279 PolarHBondContact O-N 3.39Å |
| 275 | S | 80.6 | Confident | 91.6 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.5 | -30.8 | 176.3 | 62 | 0 | 0 | 0 | 0 | 113.7 | Y271 M272 L273 | Y271-S275 PolarHBondContact O-N 3Å; M272-S275 PolarHBondContact O-OG 3.05Å; M272-S275 VanDerWaalsContact O-OG 3.06Å; L273-S275 VanDerWaalsContact C-N 3.34Å; L273-S275 PolarHBondContact O-N 3.01Å |
| 276 | L | 87.1 | Confident | 91.5 | Very high | 74 Ų | 74 | 66 Ų | 66 | 39% | 0.387 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -82.5 | -35.9 | 177.4 | -65.3 | 174.3 | 0 | 0 | 0 | 113.2 | W195 V199 M272 L273 G274 H278 | W195-L276 HydrophobicContact CE3-CD2 4Å; W195-L276 HydrophobicContact CH2-CD2 4.19Å; W195-L276 HydrophobicContact CZ3-CD2 3.5Å; W195-L276 VanDerWaalsContact CZ3-CD2 3.5Å; V199-L276 HydrophobicContact CG1-CD1 4.29Å; M272-L276 WeakPolarHBondContact O-CG 3.49Å; L273-L276 PolarHBondContact O-N 3.19Å; G274-L276 VanDerWaalsContact C-N 3.33Å; G274-L276 PolarHBondContact O-N 3.11Å; L276-H278 PolarHBondContact O-ND1 2.8Å |
| 277 | L | 91 | Very high | 91.4 | Very high | 103 Ų | 103 | 62 Ų | 62 | 54% | 0.539 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -95.8 | 2.5 | -176.3 | -61.4 | 177.3 | 0 | 0 | 0 | 112.8 | L273 G274 W279 | L273-L277 HydrophobicContact CB-CD1 4.32Å; L273-L277 VanDerWaalsContact O-CB 3.24Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.47Å; L273-L277 PolarHBondContact O-N 3.26Å; G274-L277 PolarHBondContact O-N 3.01Å; L277-W279 HydrophobicContact CD1-CZ2 4.18Å |
| 278 | H | 89.1 | Confident | 91.1 | Very high | 143 Ų | 143 | 62.5 Ų | 62.5 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 55.7 | -179.5 | -55 | 80.4 | 0 | 0 | 0 | 112.1 | G274 L276 | G274-H278 WeakPolarHBondContact O-CA 3.16Å; G274-H278 PolarHBondContact O-N 3.01Å; L276-H278 PolarHBondContact O-ND1 2.8Å |
| 279 | W | 91.3 | Very high | 91 | Very high | 81 Ų | 81 | 66 Ų | 66 | 31% | 0.307 | 34% | 0.339 | S | S | . | . | trans | -67.6 | 160.1 | 177.5 | -75.9 | 1.5 | 0 | 0 | 0 | 112.5 | L270 G274 L277 F283 | L270-W279 HydrophobicContact CB-CZ3 4.03Å; L270-W279 HydrophobicContact CD2-CH2 3.54Å; L270-W279 HydrophobicContact CD2-CZ3 3.73Å; L270-W279 HydrophobicContact CG-CZ3 4.46Å; L270-W279 WeakPolarHBondContact O-CZ3 3.34Å; G274-W279 PolarHBondContact O-N 3.39Å; L277-W279 HydrophobicContact CD1-CZ2 4.18Å; W279-F283 HydrophobicContact CD2-CD1 4.36Å; W279-F283 AromaticContact CE3-CD1 3.47Å; W279-F283 HydrophobicContact CE3-CD1 3.47Å; W279-F283 VanDerWaalsContact CE3-CD1 3.47Å; W279-F283 AromaticContact CE3-CE1 3.4Å; W279-F283 HydrophobicContact CE3-CE1 3.4Å; W279-F283 HydrophobicContact CH2-CE1 4.46Å; W279-F283 AromaticContact CZ3-CD1 3.98Å; W279-F283 HydrophobicContact CZ3-CD1 3.98Å; W279-F283 AromaticContact CZ3-CE1 3.38Å; W279-F283 HydrophobicContact CZ3-CE1 3.38Å; W279-F283 HydrophobicContact CZ3-CZ 4.3Å | ||
| 280 | P | 92.4 | Very high | 91 | Very high | 89 Ų | 89 | 65.9 Ų | 65.9 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | trans | -63.5 | 139.3 | -179.5 | -21.1 | 33 | 0 | 0 | 0 | 112.3 | D282 F283 D284 | P280-D282 PolarHBondContact O-N 2.65Å; P280-D282 VanDerWaalsContact O-N 3.1Å; P280-F283 WeakPolarHBondContact O-CB 3.38Å; P280-F283 PolarHBondContact O-N 2.97Å; P280-D284 PolarHBondContact O-N 2.91Å | ||
| 281 | C | 91 | Very high | 91 | Very high | 33 Ų | 33 | 66.6 Ų | 66.6 | 22% | 0.223 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -49.8 | -39.9 | 179.9 | -54.3 | 0 | 0 | 0 | 0 | 113.4 | C19 F283 D284 L285 | C19-C281 HydrophobicContact CB-CB 3.68Å; C19-C281 WeakPolarHBondContact CB-SG 3.43Å; C19-C281 WeakPolarHBondContact SG-CB 3.12Å; C19-C281 CovalentContact SG-SG 2.02Å; C19-C281 PolarHBondContact SG-SG 3.44Å; C281-F283 PolarHBondContact O-N 2.96Å; C281-D284 PolarHBondContact O-N 3.46Å; C281-L285 WeakPolarHBondContact O-CG 3.48Å; C281-L285 PolarHBondContact O-N 3.39Å |
| 282 | D | 91.6 | Very high | 91.2 | Very high | 132 Ų | 132 | 63 Ų | 63 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.9 | -34.4 | 179.4 | -68.8 | -27.6 | 0 | 0 | 0 | 112.4 | P280 F286 | P280-D282 PolarHBondContact O-N 2.65Å; P280-D282 VanDerWaalsContact O-N 3.1Å; D282-F286 WeakPolarHBondContact O-CB 3.33Å; D282-F286 PolarHBondContact O-N 2.72Å |
| 283 | F | 93.6 | Very high | 91.5 | Very high | 75 Ų | 75 | 67.3 Ų | 67.3 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -74.9 | -39.9 | 178.3 | -168.9 | -102.1 | 0 | 0 | 0 | 111.5 | W279 P280 C281 F286 L287 | W279-F283 HydrophobicContact CD2-CD1 4.36Å; W279-F283 AromaticContact CE3-CD1 3.47Å; W279-F283 HydrophobicContact CE3-CD1 3.47Å; W279-F283 VanDerWaalsContact CE3-CD1 3.47Å; W279-F283 AromaticContact CE3-CE1 3.4Å; W279-F283 HydrophobicContact CE3-CE1 3.4Å; W279-F283 HydrophobicContact CH2-CE1 4.46Å; W279-F283 AromaticContact CZ3-CD1 3.98Å; W279-F283 HydrophobicContact CZ3-CD1 3.98Å; W279-F283 AromaticContact CZ3-CE1 3.38Å; W279-F283 HydrophobicContact CZ3-CE1 3.38Å; W279-F283 HydrophobicContact CZ3-CZ 4.3Å; P280-F283 WeakPolarHBondContact O-CB 3.38Å; P280-F283 PolarHBondContact O-N 2.97Å; C281-F283 PolarHBondContact O-N 2.96Å; F283-F286 HydrophobicContact CD2-CD1 4.47Å; F283-F286 HydrophobicContact CE2-CD1 4.26Å; F283-F286 WeakPolarHBondContact O-CB 3.37Å; F283-F286 PolarHBondContact O-N 3.33Å; F283-L287 HydrophobicContact CD1-CD1 3.93Å; F283-L287 HydrophobicContact CD1-CG 4.16Å; F283-L287 HydrophobicContact CE1-CD1 3.66Å; F283-L287 HydrophobicContact CE1-CD2 4.03Å; F283-L287 HydrophobicContact CE1-CG 3.88Å; F283-L287 HydrophobicContact CZ-CD2 4.11Å; F283-L287 HydrophobicContact CZ-CG 4.36Å; F283-L287 WeakPolarHBondContact O-CG 3.24Å; F283-L287 PolarHBondContact O-N 3.38Å |
| 284 | D | 91 | Very high | 91.8 | Very high | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 173.7 | -70 | -53.9 | 0 | 0 | 0 | 111.5 | P280 C281 F286 L287 M288 | P280-D284 PolarHBondContact O-N 2.91Å; C281-D284 PolarHBondContact O-N 3.46Å; D284-F286 VanDerWaalsContact C-N 3.3Å; D284-F286 PolarHBondContact O-N 2.97Å; D284-L287 WeakPolarHBondContact O-CB 3.32Å; D284-L287 PolarHBondContact O-N 2.93Å; D284-L287 VanDerWaalsContact O-N 3.12Å; D284-M288 WeakPolarHBondContact O-CG 3.21Å; D284-M288 PolarHBondContact O-N 3.28Å |
| 285 | L | 91 | Very high | 92.2 | Very high | 63 Ų | 63 | 64.9 Ų | 64.9 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.2 | -40 | 172.9 | -73.4 | 173.5 | 0 | 0 | 0 | 112.1 | C281 M288 N289 | C281-L285 WeakPolarHBondContact O-CG 3.48Å; C281-L285 PolarHBondContact O-N 3.39Å; L285-M288 PolarHBondContact O-N 3.16Å; L285-N289 WeakPolarHBondContact O-CB 3.3Å; L285-N289 PolarHBondContact O-N 3.02Å; L285-N289 VanDerWaalsContact O-N 3.07Å; L285-N289 PolarHBondContact O-ND2 3.05Å |
| 286 | F | 93.4 | Very high | 92.9 | Very high | 118 Ų | 118 | 61.7 Ų | 61.7 | 52% | 0.518 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 173.4 | 169.5 | -97.7 | 0 | 0 | 0 | 111.8 | D282 F283 D284 M288 N289 V290 | D282-F286 WeakPolarHBondContact O-CB 3.33Å; D282-F286 PolarHBondContact O-N 2.72Å; F283-F286 HydrophobicContact CD2-CD1 4.47Å; F283-F286 HydrophobicContact CE2-CD1 4.26Å; F283-F286 WeakPolarHBondContact O-CB 3.37Å; F283-F286 PolarHBondContact O-N 3.33Å; D284-F286 VanDerWaalsContact C-N 3.3Å; D284-F286 PolarHBondContact O-N 2.97Å; F286-M288 PolarHBondContact O-N 3.44Å; F286-N289 PolarHBondContact O-N 2.74Å; F286-V290 HydrophobicContact CE1-CG1 4.5Å; F286-V290 PolarHBondContact O-N 3.43Å; F286-V290 VanDerWaalsContact O-N 3.08Å |
| 287 | L | 94.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 178 | -67.2 | 177.6 | 0 | 0 | 0 | 111.9 | V267 L270 Y271 F283 D284 N289 V290 F291 | V267-L287 HydrophobicContact CG1-CB 4.24Å; V267-L287 HydrophobicContact CG1-CD2 4.06Å; L270-L287 HydrophobicContact CB-CD1 3.9Å; L270-L287 HydrophobicContact CB-CD2 4.05Å; L270-L287 HydrophobicContact CD1-CD2 4.16Å; Y271-L287 HydrophobicContact CD2-CB 4.49Å; F283-L287 HydrophobicContact CD1-CD1 3.93Å; F283-L287 HydrophobicContact CD1-CG 4.16Å; F283-L287 HydrophobicContact CE1-CD1 3.66Å; F283-L287 HydrophobicContact CE1-CD2 4.03Å; F283-L287 HydrophobicContact CE1-CG 3.88Å; F283-L287 HydrophobicContact CZ-CD2 4.11Å; F283-L287 HydrophobicContact CZ-CG 4.36Å; F283-L287 WeakPolarHBondContact O-CG 3.24Å; F283-L287 PolarHBondContact O-N 3.38Å; D284-L287 WeakPolarHBondContact O-CB 3.32Å; D284-L287 PolarHBondContact O-N 2.93Å; D284-L287 VanDerWaalsContact O-N 3.12Å; L287-N289 VanDerWaalsContact C-N 3.34Å; L287-N289 PolarHBondContact O-N 2.86Å; L287-V290 WeakPolarHBondContact O-CG1 3.33Å; L287-V290 PolarHBondContact O-N 2.93Å; L287-F291 WeakPolarHBondContact O-CB 3.46Å; L287-F291 PolarHBondContact O-N 2.99Å |
| 288 | M | 91.4 | Very high | 93.8 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 177 | -69.1 | 177.4 | 80 | 0 | 0 | 111.8 | Y21 W24 Y271 D284 L285 F286 P292 | Y21-M288 HydrophobicContact CD1-SD 3.89Å; Y21-M288 HydrophobicContact CE1-SD 4.08Å; W24-M288 HydrophobicContact CD2-CE 4.41Å; W24-M288 HydrophobicContact CH2-CB 3.96Å; W24-M288 HydrophobicContact CH2-CE 4.19Å; W24-M288 HydrophobicContact CH2-CG 4.05Å; W24-M288 HydrophobicContact CZ2-CB 4.48Å; W24-M288 HydrophobicContact CZ2-CE 3.53Å; W24-M288 HydrophobicContact CZ2-CG 4.2Å; W24-M288 HydrophobicContact CZ3-CB 4.3Å; W24-M288 VanDerWaalsContact CZ3-O 3.3Å; W24-M288 WeakPolarHBondContact CZ3-O 3.48Å; Y271-M288 HydrophobicContact CE2-CG 3.98Å; D284-M288 WeakPolarHBondContact O-CG 3.21Å; D284-M288 PolarHBondContact O-N 3.28Å; L285-M288 PolarHBondContact O-N 3.16Å; F286-M288 PolarHBondContact O-N 3.44Å; M288-P292 WeakPolarHBondContact O-CD 3.25Å |
| 289 | N | 91.9 | Very high | 94.2 | Very high | 113 Ų | 113 | 51.5 Ų | 51.5 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -70.6 | -32.5 | 179.5 | -78.6 | -54.4 | 0 | 0 | 0 | 113.6 | L285 F286 L287 Y293 | L285-N289 WeakPolarHBondContact O-CB 3.3Å; L285-N289 PolarHBondContact O-N 3.02Å; L285-N289 VanDerWaalsContact O-N 3.07Å; L285-N289 PolarHBondContact O-ND2 3.05Å; F286-N289 PolarHBondContact O-N 2.74Å; L287-N289 VanDerWaalsContact C-N 3.34Å; L287-N289 PolarHBondContact O-N 2.86Å; N289-Y293 WeakPolarHBondContact O-CD2 3.41Å; N289-Y293 WeakPolarHBondContact O-CE2 3.46Å |
| 290 | V | 94.5 | Very high | 94.5 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 24% | 0.242 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -84.1 | -25.8 | 179.2 | 74.4 | 0 | 0 | 0 | 0 | 112.9 | V267 F286 L287 Y293 C294 | V267-V290 HydrophobicContact CG1-CG1 4.02Å; V267-V290 HydrophobicContact CG2-CG1 3.84Å; F286-V290 HydrophobicContact CE1-CG1 4.5Å; F286-V290 PolarHBondContact O-N 3.43Å; F286-V290 VanDerWaalsContact O-N 3.08Å; L287-V290 WeakPolarHBondContact O-CG1 3.33Å; L287-V290 PolarHBondContact O-N 2.93Å; V290-Y293 WeakPolarHBondContact O-CB 3.27Å; V290-Y293 PolarHBondContact O-N 3.24Å; V290-C294 PolarHBondContact O-N 3.13Å; V290-C294 VanDerWaalsContact O-N 3.11Å |
| 291 | F | 95.1 | Very high | 94.7 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 25% | 0.254 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.1 | -41 | -174.9 | -175.5 | -103.9 | 0 | 0 | 0 | 115.3 | W24 Y264 V267 K268 L287 Y293 C294 T295 | W24-F291 HydrophobicContact CH2-CD1 4.28Å; W24-F291 HydrophobicContact CZ3-CD1 4.41Å; Y264-F291 AromaticContact CD2-CE2 3.91Å; Y264-F291 HydrophobicContact CD2-CE2 3.91Å; Y264-F291 HydrophobicContact CD2-CZ 4.22Å; Y264-F291 AromaticContact CE2-CE2 3.71Å; Y264-F291 HydrophobicContact CE2-CE2 3.71Å; Y264-F291 AromaticContact CE2-CZ 3.64Å; Y264-F291 HydrophobicContact CE2-CZ 3.64Å; V267-F291 HydrophobicContact CB-CD2 4.49Å; V267-F291 HydrophobicContact CG1-CB 4.07Å; V267-F291 HydrophobicContact CG1-CD2 3.87Å; V267-F291 HydrophobicContact CG1-CG 4.48Å; K268-F291 HydrophobicContact CB-CE2 4.34Å; L287-F291 WeakPolarHBondContact O-CB 3.46Å; L287-F291 PolarHBondContact O-N 2.99Å; F291-Y293 VanDerWaalsContact C-N 3.3Å; F291-Y293 PolarHBondContact O-N 3.33Å; F291-C294 PolarHBondContact O-N 3.39Å; F291-T295 PolarHBondContact O-N 2.85Å; F291-T295 PolarHBondContact O-OG1 3.41Å |
| 292 | P | 94.8 | Very high | 95 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 7% | 0.065 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -38.1 | 175.3 | -25.9 | 35.8 | 0 | 0 | 0 | 113 | W24 I31 Y93 M288 C296 | W24-P292 HydrophobicContact CZ3-CG 4.34Å; I31-P292 HydrophobicContact CD1-CB 3.58Å; Y93-P292 WeakPolarHBondContact OH-CG 3.47Å; M288-P292 WeakPolarHBondContact O-CD 3.25Å; P292-C296 VanDerWaalsContact O-CB 3.32Å; P292-C296 WeakPolarHBondContact O-CB 3.48Å; P292-C296 PolarHBondContact O-N 2.76Å |
| 293 | Y | 95.9 | Very high | 95.3 | Very high | 97 Ų | 97 | 37.8 Ų | 37.8 | 38% | 0.38 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71.8 | -38.5 | 177.7 | -57.8 | -83.1 | 0 | 0 | 0 | 112 | S27 L30 I31 N289 V290 F291 T295 C296 I297 | S27-Y293 WeakPolarHBondContact CB-OH 3.32Å; L30-Y293 HydrophobicContact CD2-CE1 4.49Å; I31-Y293 HydrophobicContact CD1-CD1 4.31Å; I31-Y293 HydrophobicContact CD1-CE1 4.31Å; I31-Y293 HydrophobicContact CG1-CD1 4.5Å; N289-Y293 WeakPolarHBondContact O-CD2 3.41Å; N289-Y293 WeakPolarHBondContact O-CE2 3.46Å; V290-Y293 WeakPolarHBondContact O-CB 3.27Å; V290-Y293 PolarHBondContact O-N 3.24Å; F291-Y293 VanDerWaalsContact C-N 3.3Å; F291-Y293 PolarHBondContact O-N 3.33Å; Y293-T295 VanDerWaalsContact C-N 3.35Å; Y293-C296 WeakPolarHBondContact O-CB 3.05Å; Y293-C296 PolarHBondContact O-N 2.83Å; Y293-I297 WeakPolarHBondContact O-CG1 3.26Å; Y293-I297 PolarHBondContact O-N 2.88Å |
| 294 | C | 97.5 | Very high | 95.4 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -42 | 174 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | P263 V290 F291 C296 S298 | P263-C294 HydrophobicContact CB-CB 4.1Å; V290-C294 PolarHBondContact O-N 3.13Å; V290-C294 VanDerWaalsContact O-N 3.11Å; F291-C294 PolarHBondContact O-N 3.39Å; C294-C296 VanDerWaalsContact C-N 3.32Å; C294-S298 PolarHBondContact O-N 3.49Å; C294-S298 VanDerWaalsContact O-N 3.08Å |
| 295 | T | 96.8 | Very high | 95.6 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 172 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | F291 Y293 I297 S298 Y299 | F291-T295 PolarHBondContact O-N 2.85Å; F291-T295 PolarHBondContact O-OG1 3.41Å; Y293-T295 VanDerWaalsContact C-N 3.35Å; T295-I297 PolarHBondContact O-N 3.07Å; T295-S298 PolarHBondContact O-N 3.5Å; T295-S298 PolarHBondContact O-OG 3.29Å; T295-Y299 HydrophobicContact CG2-CD1 4.38Å; T295-Y299 HydrophobicContact CG2-CD2 4.41Å; T295-Y299 HydrophobicContact CG2-CE1 3.86Å; T295-Y299 HydrophobicContact CG2-CE2 3.9Å; T295-Y299 WeakPolarHBondContact O-CD1 3.44Å; T295-Y299 PolarHBondContact O-N 3.12Å; T295-Y299 VanDerWaalsContact O-N 3.1Å |
| 296 | C | 97.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.034 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -48.6 | 178.7 | -171 | 0 | 0 | 0 | 0 | 112.1 | I31 I34 Y35 P292 Y293 C294 S298 Y299 V300 | I31-C296 HydrophobicContact CG1-CB 4.47Å; I31-C296 HydrophobicContact CG2-CB 4.24Å; I34-C296 VanDerWaalsContact CG2-SG 3.51Å; Y35-C296 HydrophobicContact CE1-CB 4.22Å; P292-C296 VanDerWaalsContact O-CB 3.32Å; P292-C296 WeakPolarHBondContact O-CB 3.48Å; P292-C296 PolarHBondContact O-N 2.76Å; Y293-C296 WeakPolarHBondContact O-CB 3.05Å; Y293-C296 PolarHBondContact O-N 2.83Å; C294-C296 VanDerWaalsContact C-N 3.32Å; C296-S298 VanDerWaalsContact C-N 3.33Å; C296-S298 PolarHBondContact O-N 2.94Å; C296-Y299 PolarHBondContact O-N 2.9Å; C296-V300 WeakPolarHBondContact O-CG2 3.41Å; C296-V300 PolarHBondContact O-N 2.85Å; C296-V300 VanDerWaalsContact O-N 3.14Å |
| 297 | I | 97.3 | Very high | 95.8 | Very high | 82 Ų | 82 | 32.3 Ų | 32.3 | 42% | 0.421 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 178 | -68 | 166.7 | 0 | 0 | 0 | 111.3 | C260 Y293 T295 Y299 V300 | C260-I297 HydrophobicContact CB-CG2 4.33Å; Y293-I297 WeakPolarHBondContact O-CG1 3.26Å; Y293-I297 PolarHBondContact O-N 2.88Å; T295-I297 PolarHBondContact O-N 3.07Å; I297-Y299 VanDerWaalsContact C-N 3.29Å; I297-Y299 PolarHBondContact O-N 2.9Å; I297-V300 WeakPolarHBondContact O-CB 2.75Å; I297-V300 PolarHBondContact O-N 2.94Å |
| 298 | S | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -35 | 177.7 | 74.2 | 0 | 0 | 0 | 0 | 112.1 | C260 C294 T295 C296 N301 | C260-S298 VanDerWaalsContact O-CA 3.32Å; C260-S298 WeakPolarHBondContact O-CA 3.38Å; C260-S298 WeakPolarHBondContact O-CB 3.35Å; C260-S298 PolarHBondContact O-N 3.46Å; C294-S298 PolarHBondContact O-N 3.49Å; C294-S298 VanDerWaalsContact O-N 3.08Å; T295-S298 PolarHBondContact O-N 3.5Å; T295-S298 PolarHBondContact O-OG 3.29Å; C296-S298 VanDerWaalsContact C-N 3.33Å; C296-S298 PolarHBondContact O-N 2.94Å; S298-N301 WeakPolarHBondContact O-CB 3.36Å; S298-N301 PolarHBondContact O-N 3.41Å |
| 299 | Y | 97.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 32.4 Ų | 32.4 | 9% | 0.086 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.8 | -32.8 | 177.3 | -69 | 1.6 | 0 | 0 | 0 | 112.8 | Y35 V38 F78 L82 I109 T295 C296 I297 N301 S302 | Y35-Y299 HydrophobicContact CD1-CD2 4.08Å; Y35-Y299 AromaticContact CE1-CD2 3.38Å; Y35-Y299 HydrophobicContact CE1-CD2 3.38Å; Y35-Y299 HydrophobicContact CE1-CE2 4.16Å; Y35-Y299 HydrophobicContact CE1-CG 4.17Å; Y35-Y299 HydrophobicContact CE2-CD2 4.45Å; Y35-Y299 AromaticContact CZ-CD2 3.62Å; Y35-Y299 AromaticContact CZ-CE2 3.92Å; V38-Y299 WeakPolarHBondContact CG1-O 3.31Å; F78-Y299 HydrophobicContact CE1-CD1 4.38Å; F78-Y299 HydrophobicContact CE1-CG 4.32Å; F78-Y299 HydrophobicContact CE2-CD1 4.24Å; F78-Y299 HydrophobicContact CE2-CD2 4.34Å; F78-Y299 HydrophobicContact CE2-CE1 4.21Å; F78-Y299 HydrophobicContact CE2-CE2 4.32Å; F78-Y299 HydrophobicContact CE2-CG 4.33Å; F78-Y299 AromaticContact CZ-CD1 3.56Å; F78-Y299 HydrophobicContact CZ-CD1 3.56Å; F78-Y299 AromaticContact CZ-CD2 3.8Å; F78-Y299 HydrophobicContact CZ-CD2 3.8Å; F78-Y299 AromaticContact CZ-CE1 3.99Å; F78-Y299 HydrophobicContact CZ-CE1 3.99Å; F78-Y299 HydrophobicContact CZ-CE2 4.21Å; F78-Y299 AromaticContact CZ-CG 3.47Å; F78-Y299 HydrophobicContact CZ-CG 3.47Å; F78-Y299 VanDerWaalsContact CZ-CG 3.47Å; L82-Y299 HydrophobicContact CD2-CD2 3.54Å; L82-Y299 HydrophobicContact CD2-CE2 4.09Å; L82-Y299 HydrophobicContact CD2-CG 4.28Å; I109-Y299 VanDerWaalsContact CD1-OH 3.25Å; I109-Y299 WeakPolarHBondContact CD1-OH 3.27Å; I109-Y299 HydrophobicContact CG2-CE1 4.16Å; T295-Y299 HydrophobicContact CG2-CD1 4.38Å; T295-Y299 HydrophobicContact CG2-CD2 4.41Å; T295-Y299 HydrophobicContact CG2-CE1 3.86Å; T295-Y299 HydrophobicContact CG2-CE2 3.9Å; T295-Y299 WeakPolarHBondContact O-CD1 3.44Å; T295-Y299 PolarHBondContact O-N 3.12Å; T295-Y299 VanDerWaalsContact O-N 3.1Å; C296-Y299 PolarHBondContact O-N 2.9Å; I297-Y299 VanDerWaalsContact C-N 3.29Å; I297-Y299 PolarHBondContact O-N 2.9Å; Y299-N301 PolarHBondContact O-N 3.14Å; Y299-S302 PolarHBondContact O-N 3.33Å |
| 300 | V | 97.8 | Very high | 95.8 | Very high | 39 Ų | 39 | 28.9 Ų | 28.9 | 24% | 0.236 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58 | -29 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | I34 V38 C296 I297 S302 C303 L304 | I34-V300 HydrophobicContact CG2-CG2 3.72Å; V38-V300 HydrophobicContact CG2-CB 4.28Å; V38-V300 HydrophobicContact CG2-CG2 3.68Å; C296-V300 WeakPolarHBondContact O-CG2 3.41Å; C296-V300 PolarHBondContact O-N 2.85Å; C296-V300 VanDerWaalsContact O-N 3.14Å; I297-V300 WeakPolarHBondContact O-CB 2.75Å; I297-V300 PolarHBondContact O-N 2.94Å; V300-S302 PolarHBondContact O-N 3.38Å; V300-S302 VanDerWaalsContact O-N 3.1Å; V300-C303 PolarHBondContact O-N 2.81Å; V300-C303 PolarHBondContact O-SG 2.82Å; V300-L304 HydrophobicContact CG1-CD1 4Å; V300-L304 HydrophobicContact CG1-CD2 4.36Å; V300-L304 HydrophobicContact CG1-CG 3.96Å; V300-L304 WeakPolarHBondContact O-CG 3.47Å; V300-L304 PolarHBondContact O-N 2.88Å |
| 301 | N | 97.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -48.1 | -41.1 | 175.5 | -177.1 | 69.7 | 0 | 0 | 0 | 113 | F257 C260 S298 Y299 C303 L304 | F257-N301 WeakPolarHBondContact CA-OD1 3.06Å; C260-N301 HydrophobicContact CB-CB 3.77Å; S298-N301 WeakPolarHBondContact O-CB 3.36Å; S298-N301 PolarHBondContact O-N 3.41Å; Y299-N301 PolarHBondContact O-N 3.14Å; N301-C303 VanDerWaalsContact C-N 3.29Å; N301-C303 PolarHBondContact O-N 3.31Å; N301-L304 PolarHBondContact O-N 3.47Å |
| 302 | S | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -24 | -175.8 | -71.9 | 0 | 0 | 0 | 0 | 114.2 | N46 D75 F78 N112 Y299 V300 | N46-S302 PolarHBondContact ND2-O 3.13Å; D75-S302 VanDerWaalsContact OD1-CA 3.28Å; D75-S302 WeakPolarHBondContact OD1-CA 3.48Å; D75-S302 WeakPolarHBondContact OD1-CB 3.37Å; D75-S302 PolarHBondContact OD1-OG 3.16Å; F78-S302 WeakPolarHBondContact CD1-OG 3.39Å; N112-S302 PolarHBondContact ND2-OG 2.73Å; Y299-S302 PolarHBondContact O-N 3.33Å; V300-S302 PolarHBondContact O-N 3.38Å; V300-S302 VanDerWaalsContact O-N 3.1Å |
| 303 | C | 96.7 | Very high | 95 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -95.7 | -13.3 | 173.6 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | V38 L41 V300 N301 P306 F307 | V38-C303 HydrophobicContact CG1-CB 4.04Å; L41-C303 HydrophobicContact CB-CB 3.91Å; V300-C303 PolarHBondContact O-N 2.81Å; V300-C303 PolarHBondContact O-SG 2.82Å; N301-C303 VanDerWaalsContact C-N 3.29Å; N301-C303 PolarHBondContact O-N 3.31Å; C303-P306 WeakPolarHBondContact O-CD 3.49Å; C303-F307 WeakPolarHBondContact O-CD2 3.45Å; C303-F307 WeakPolarHBondContact O-CE2 3.35Å |
| 304 | L | 97 | Very high | 94.5 | Very high | 54 Ų | 54 | 32.9 Ų | 32.9 | 28% | 0.283 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -72.8 | -32.8 | -180 | -71.9 | 176.7 | 0 | 0 | 0 | 112.9 | T256 V300 N301 F307 L308 | T256-L304 HydrophobicContact CG2-CB 4.22Å; T256-L304 HydrophobicContact CG2-CD1 3.54Å; V300-L304 HydrophobicContact CG1-CD1 4Å; V300-L304 HydrophobicContact CG1-CD2 4.36Å; V300-L304 HydrophobicContact CG1-CG 3.96Å; V300-L304 WeakPolarHBondContact O-CG 3.47Å; V300-L304 PolarHBondContact O-N 2.88Å; N301-L304 PolarHBondContact O-N 3.47Å; L304-F307 WeakPolarHBondContact O-CB 3.4Å; L304-F307 PolarHBondContact O-N 2.92Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 2.92Å |
| 305 | N | 94.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -51.6 | -51.2 | -175.7 | -67.5 | -25.7 | 0 | 0 | 0 | 113.7 | D75 L253 F307 L308 Y309 | D75-N305 PolarHBondContact OD2-ND2 2.92Å; L253-N305 HydrophobicContact CD2-CB 4.43Å; L253-N305 WeakPolarHBondContact CD2-OD1 3.38Å; N305-F307 VanDerWaalsContact C-N 3.32Å; N305-F307 PolarHBondContact O-N 3.03Å; N305-L308 WeakPolarHBondContact O-CB 3.49Å; N305-L308 PolarHBondContact O-N 3.17Å; N305-L308 VanDerWaalsContact O-N 3.13Å; N305-Y309 HydrophobicContact CB-CE2 4.08Å; N305-Y309 WeakPolarHBondContact O-CD2 3.27Å; N305-Y309 PolarHBondContact O-N 3.49Å |
| 306 | P | 93.9 | Very high | 93.4 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.5 | -41.1 | 174.4 | -27.8 | 35.4 | 0 | 0 | 0 | 114.6 | V49 C303 Y309 A310 | V49-P306 HydrophobicContact CG2-CB 4.28Å; V49-P306 HydrophobicContact CG2-CG 4.17Å; C303-P306 WeakPolarHBondContact O-CD 3.49Å; P306-Y309 PolarHBondContact O-N 2.61Å; P306-A310 WeakPolarHBondContact O-CB 3.26Å; P306-A310 PolarHBondContact O-N 3.25Å |
| 307 | F | 94.8 | Very high | 93 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 37% | 0.373 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.6 | -42 | 177.1 | -65.6 | -82.4 | 0 | 0 | 0 | 111.1 | L41 C303 L304 N305 Y309 A310 F311 | L41-F307 HydrophobicContact CB-CE2 4.3Å; L41-F307 HydrophobicContact CD1-CE2 4.12Å; L41-F307 HydrophobicContact CD1-CZ 4.08Å; L41-F307 HydrophobicContact CD2-CZ 4.1Å; L41-F307 HydrophobicContact CG-CZ 4.48Å; C303-F307 WeakPolarHBondContact O-CD2 3.45Å; C303-F307 WeakPolarHBondContact O-CE2 3.35Å; L304-F307 WeakPolarHBondContact O-CB 3.4Å; L304-F307 PolarHBondContact O-N 2.92Å; N305-F307 VanDerWaalsContact C-N 3.32Å; N305-F307 PolarHBondContact O-N 3.03Å; F307-Y309 VanDerWaalsContact C-N 3.3Å; F307-Y309 PolarHBondContact O-N 3.37Å; F307-A310 CarbonylContact O-C 3.59Å; F307-A310 WeakPolarHBondContact O-CA 3.45Å; F307-A310 WeakPolarHBondContact O-CB 3.33Å; F307-A310 PolarHBondContact O-N 3.21Å; F307-F311 HydrophobicContact CB-CD2 4.5Å; F307-F311 HydrophobicContact CB-CE2 4.39Å; F307-F311 WeakPolarHBondContact O-CD2 3.36Å; F307-F311 PolarHBondContact O-N 3.39Å |
| 308 | L | 94.4 | Very high | 92.6 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -40 | 175.8 | -62.3 | 177.6 | 0 | 0 | 0 | 111.4 | V252 L253 T256 L304 N305 F311 F312 | V252-L308 HydrophobicContact CG1-CD1 4.16Å; V252-L308 HydrophobicContact CG1-CD2 3.62Å; V252-L308 HydrophobicContact CG1-CG 4.32Å; L253-L308 HydrophobicContact CD2-CB 4.21Å; L253-L308 HydrophobicContact CD2-CD1 3.77Å; T256-L308 HydrophobicContact CG2-CD1 4.04Å; T256-L308 WeakPolarHBondContact OG1-CD1 3.33Å; L304-L308 WeakPolarHBondContact O-CG 3.37Å; L304-L308 PolarHBondContact O-N 2.92Å; N305-L308 WeakPolarHBondContact O-CB 3.49Å; N305-L308 PolarHBondContact O-N 3.17Å; N305-L308 VanDerWaalsContact O-N 3.13Å; L308-F311 PolarHBondContact O-N 2.88Å; L308-F312 HydrophobicContact CD2-CE2 4.28Å; L308-F312 WeakPolarHBondContact O-CB 3.22Å; L308-F312 WeakPolarHBondContact O-CD2 3.43Å; L308-F312 PolarHBondContact O-N 3.31Å |
| 309 | Y | 92.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 171.7 | -59.7 | -50.7 | 0 | 0 | 0 | 112.5 | V49 I68 I249 L253 N305 P306 F307 F311 D313 | V49-Y309 HydrophobicContact CG1-CD2 4.45Å; V49-Y309 HydrophobicContact CG1-CE2 4.25Å; V49-Y309 HydrophobicContact CG2-CD2 3.68Å; V49-Y309 HydrophobicContact CG2-CE2 4.08Å; I68-Y309 HydrophobicContact CD1-CE1 4.32Å; I68-Y309 HydrophobicContact CG1-CE1 4.36Å; I68-Y309 HydrophobicContact CG2-CE1 4.33Å; I68-Y309 HydrophobicContact CG2-CE2 4.08Å; I249-Y309 HydrophobicContact CG2-CD1 4.05Å; I249-Y309 HydrophobicContact CG2-CE1 4.03Å; L253-Y309 HydrophobicContact CD1-CE1 3.84Å; L253-Y309 HydrophobicContact CD2-CE1 4.31Å; N305-Y309 HydrophobicContact CB-CE2 4.08Å; N305-Y309 WeakPolarHBondContact O-CD2 3.27Å; N305-Y309 PolarHBondContact O-N 3.49Å; P306-Y309 PolarHBondContact O-N 2.61Å; F307-Y309 VanDerWaalsContact C-N 3.3Å; F307-Y309 PolarHBondContact O-N 3.37Å; Y309-F311 VanDerWaalsContact C-N 3.32Å; Y309-F311 PolarHBondContact O-N 2.8Å; Y309-D313 WeakPolarHBondContact O-CA 3.39Å; Y309-D313 WeakPolarHBondContact O-CB 3.45Å; Y309-D313 PolarHBondContact O-N 3.26Å |
| 310 | A | 92.1 | Very high | 91.6 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 33% | 0.331 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.9 | -35.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P306 F307 F316 R317 | P306-A310 WeakPolarHBondContact O-CB 3.26Å; P306-A310 PolarHBondContact O-N 3.25Å; F307-A310 CarbonylContact O-C 3.59Å; F307-A310 WeakPolarHBondContact O-CA 3.45Å; F307-A310 WeakPolarHBondContact O-CB 3.33Å; F307-A310 PolarHBondContact O-N 3.21Å; A310-F316 HydrophobicContact CB-CD1 4.41Å; A310-F316 HydrophobicContact CB-CE1 4.19Å; A310-R317 WeakPolarHBondContact O-CD 3.44Å; A310-R317 WeakPolarHBondContact O-CG 3.3Å |
| 311 | F | 91.3 | Very high | 91.2 | Very high | 152 Ų | 152 | 50.7 Ų | 50.7 | 67% | 0.667 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -81.7 | -43 | 176.9 | -73.3 | -67 | 0 | 0 | 0 | 112.9 | F307 L308 Y309 | F307-F311 HydrophobicContact CB-CD2 4.5Å; F307-F311 HydrophobicContact CB-CE2 4.39Å; F307-F311 WeakPolarHBondContact O-CD2 3.36Å; F307-F311 PolarHBondContact O-N 3.39Å; L308-F311 PolarHBondContact O-N 2.88Å; Y309-F311 VanDerWaalsContact C-N 3.32Å; Y309-F311 PolarHBondContact O-N 2.8Å |
| 312 | F | 88.7 | Confident | 90.6 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 40% | 0.404 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -108.7 | -16.9 | -166.3 | -63.2 | -83.3 | 0 | 0 | 0 | 115.3 | I249 V252 L308 P314 | I249-F312 WeakPolarHBondContact CD1-O 3.11Å; I249-F312 HydrophobicContact CG1-CB 3.7Å; I249-F312 WeakPolarHBondContact CG1-O 3.3Å; V252-F312 HydrophobicContact CG1-CD2 4.11Å; V252-F312 HydrophobicContact CG1-CE2 3.82Å; V252-F312 HydrophobicContact CG1-CZ 4.35Å; V252-F312 HydrophobicContact CG2-CD1 4.49Å; V252-F312 HydrophobicContact CG2-CE1 4.19Å; V252-F312 HydrophobicContact CG2-CE2 4.27Å; V252-F312 HydrophobicContact CG2-CZ 4.08Å; L308-F312 HydrophobicContact CD2-CE2 4.28Å; L308-F312 WeakPolarHBondContact O-CB 3.22Å; L308-F312 WeakPolarHBondContact O-CD2 3.43Å; L308-F312 PolarHBondContact O-N 3.31Å; F312-P314 VanDerWaalsContact O-CD 3.31Å; F312-P314 WeakPolarHBondContact O-CD 3.45Å |
| 313 | D | 86.8 | Confident | 89.9 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | trans | -106.1 | 101.8 | 178.6 | -162.7 | -26.9 | 0 | 0 | 0 | 112.8 | R62 I249 Y309 R315 F316 R317 | R62-D313 IonicContact CZ-OD2 3.09Å; R62-D313 IonicContact NH1-OD1 3.31Å; R62-D313 IonicContact NH1-OD2 3.86Å; R62-D313 PolarHBondContact NH1-OD2 3.06Å; R62-D313 VanDerWaalsContact NH1-OD2 3.12Å; R62-D313 IonicContact NH2-OD2 3.54Å; R62-D313 PolarHBondContact NH2-OD2 3.43Å; I249-D313 HydrophobicContact CD1-CB 3.66Å; I249-D313 HydrophobicContact CG1-CB 4.47Å; Y309-D313 WeakPolarHBondContact O-CA 3.39Å; Y309-D313 WeakPolarHBondContact O-CB 3.45Å; Y309-D313 PolarHBondContact O-N 3.26Å; D313-R315 VanDerWaalsContact C-N 3.25Å; D313-R315 PolarHBondContact O-N 3.29Å; D313-R315 WeakPolarHBondContact OD1-CA 3.38Å; D313-R315 VanDerWaalsContact OD1-CB 3.3Å; D313-R315 WeakPolarHBondContact OD1-CB 3.47Å; D313-R315 PolarHBondContact OD1-N 3.03Å; D313-F316 HydrophobicContact CB-CB 3.91Å; D313-F316 PolarHBondContact O-N 3.28Å; D313-F316 PolarHBondContact OD1-N 2.93Å; D313-R317 PolarHBondContact O-N 3.39Å; D313-R317 VanDerWaalsContact O-N 3.16Å | ||
| 314 | P | 85.6 | Confident | 89.3 | Confident | 39 Ų | 39 | 62 Ų | 62 | 25% | 0.253 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -30.4 | 175.9 | -23 | 33.5 | 0 | 0 | 0 | 114 | F312 Q318 | F312-P314 VanDerWaalsContact O-CD 3.31Å; F312-P314 WeakPolarHBondContact O-CD 3.45Å; P314-Q318 WeakPolarHBondContact O-CB 3.43Å; P314-Q318 WeakPolarHBondContact O-CG 3.29Å; P314-Q318 PolarHBondContact O-N 3.2Å |
| 315 | R | 83.8 | Confident | 88.2 | Confident | 124 Ų | 124 | 62.8 Ų | 62.8 | 47% | 0.468 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 178.5 | -70.1 | -174.5 | 169.4 | -158.1 | -4.4 | 110.6 | K60 R62 D313 Q318 A319 | K60-R315 PolarHBondContact O-NH1 3.07Å; R62-R315 VanDerWaalsContact CG-NH1 3.33Å; D313-R315 VanDerWaalsContact C-N 3.25Å; D313-R315 PolarHBondContact O-N 3.29Å; D313-R315 WeakPolarHBondContact OD1-CA 3.38Å; D313-R315 VanDerWaalsContact OD1-CB 3.3Å; D313-R315 WeakPolarHBondContact OD1-CB 3.47Å; D313-R315 PolarHBondContact OD1-N 3.03Å; R315-Q318 PolarHBondContact O-N 3.11Å; R315-A319 WeakPolarHBondContact O-CB 3.38Å; R315-A319 PolarHBondContact O-N 3.36Å |
| 316 | F | 86.4 | Confident | 86.6 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 176 | -179.8 | -103 | 0 | 0 | 0 | 110.9 | L48 V49 T52 A310 D313 Q318 A319 C320 | L48-F316 HydrophobicContact CD2-CZ 4.01Å; L48-F316 HydrophobicContact CG-CE2 4.3Å; L48-F316 HydrophobicContact CG-CZ 4.02Å; V49-F316 HydrophobicContact CB-CE2 4.45Å; V49-F316 HydrophobicContact CG2-CE2 3.85Å; V49-F316 HydrophobicContact CG2-CZ 4.18Å; T52-F316 HydrophobicContact CG2-CD2 3.81Å; T52-F316 HydrophobicContact CG2-CE2 3.73Å; T52-F316 WeakPolarHBondContact OG1-CD2 3.38Å; A310-F316 HydrophobicContact CB-CD1 4.41Å; A310-F316 HydrophobicContact CB-CE1 4.19Å; D313-F316 HydrophobicContact CB-CB 3.91Å; D313-F316 PolarHBondContact O-N 3.28Å; D313-F316 PolarHBondContact OD1-N 2.93Å; F316-Q318 PolarHBondContact O-N 3.17Å; F316-A319 PolarHBondContact O-N 3.03Å; F316-C320 VanDerWaalsContact CZ-SG 3.59Å; F316-C320 PolarHBondContact O-N 2.78Å; F316-C320 PolarHBondContact O-SG 3.25Å |
| 317 | R | 89.5 | Confident | 84.9 | Confident | 147 Ų | 147 | 67.6 Ų | 67.6 | 56% | 0.555 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.7 | -48.3 | 175.5 | -66.7 | 173.8 | 64.1 | 179.1 | -4.7 | 112.5 | A310 D313 A319 C320 T321 | A310-R317 WeakPolarHBondContact O-CD 3.44Å; A310-R317 WeakPolarHBondContact O-CG 3.3Å; D313-R317 PolarHBondContact O-N 3.39Å; D313-R317 VanDerWaalsContact O-N 3.16Å; R317-A319 VanDerWaalsContact C-N 3.32Å; R317-A319 PolarHBondContact O-N 3.41Å; R317-C320 PolarHBondContact O-N 2.86Å; R317-T321 WeakPolarHBondContact O-CG2 3.06Å; R317-T321 PolarHBondContact O-N 3.1Å; R317-T321 PolarHBondContact O-OG1 3.21Å; R317-T321 VanDerWaalsContact O-OG1 3.12Å |
| 318 | Q | 88.3 | Confident | 82.9 | Confident | 131 Ų | 131 | 70 Ų | 70 | 61% | 0.612 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.5 | -41.2 | 178.6 | -75.7 | 171.2 | -0.3 | 0 | 0 | 112.1 | P314 R315 F316 T321 S322 | P314-Q318 WeakPolarHBondContact O-CB 3.43Å; P314-Q318 WeakPolarHBondContact O-CG 3.29Å; P314-Q318 PolarHBondContact O-N 3.2Å; R315-Q318 PolarHBondContact O-N 3.11Å; F316-Q318 PolarHBondContact O-N 3.17Å; Q318-T321 WeakPolarHBondContact CA-OG1 3.4Å; Q318-T321 PolarHBondContact O-OG1 3.35Å; Q318-S322 WeakPolarHBondContact O-CB 3.36Å; Q318-S322 PolarHBondContact O-N 3.02Å |
| 319 | A | 86.9 | Confident | 80.9 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 21% | 0.207 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | T52 R315 F316 R317 S322 M323 | T52-A319 HydrophobicContact CG2-CB 3.69Å; R315-A319 WeakPolarHBondContact O-CB 3.38Å; R315-A319 PolarHBondContact O-N 3.36Å; F316-A319 PolarHBondContact O-N 3.03Å; R317-A319 VanDerWaalsContact C-N 3.32Å; R317-A319 PolarHBondContact O-N 3.41Å; A319-S322 PolarHBondContact O-N 2.89Å; A319-S322 PolarHBondContact O-OG 2.81Å; A319-M323 PolarHBondContact O-N 3.42Å |
| 320 | C | 88.8 | Confident | 79 | Confident | 23 Ų | 23 | 83.6 Ų | 83.6 | 16% | 0.155 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.9 | -63 | 0 | 0 | 0 | 0 | 112 | F316 R317 S322 M323 L324 | F316-C320 VanDerWaalsContact CZ-SG 3.59Å; F316-C320 PolarHBondContact O-N 2.78Å; F316-C320 PolarHBondContact O-SG 3.25Å; R317-C320 PolarHBondContact O-N 2.86Å; C320-S322 VanDerWaalsContact C-N 3.28Å; C320-S322 PolarHBondContact O-N 3.47Å; C320-M323 VanDerWaalsContact O-CB 3.25Å; C320-M323 WeakPolarHBondContact O-CB 3.09Å; C320-M323 PolarHBondContact O-N 2.93Å; C320-M323 VanDerWaalsContact O-N 3.1Å; C320-L324 PolarHBondContact O-N 3.2Å |
| 321 | T | 88.8 | Confident | 76.8 | Confident | 77 Ų | 77 | 86.9 Ų | 86.9 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -35 | 176.4 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | R317 Q318 M323 L324 C325 | R317-T321 WeakPolarHBondContact O-CG2 3.06Å; R317-T321 PolarHBondContact O-N 3.1Å; R317-T321 PolarHBondContact O-OG1 3.21Å; R317-T321 VanDerWaalsContact O-OG1 3.12Å; Q318-T321 WeakPolarHBondContact CA-OG1 3.4Å; Q318-T321 PolarHBondContact O-OG1 3.35Å; T321-M323 PolarHBondContact O-N 2.02Å; T321-L324 PolarHBondContact O-N 3.48Å; T321-C325 PolarHBondContact O-N 3.1Å; T321-C325 PolarHBondContact O-SG 3.4Å; T321-C325 VanDerWaalsContact O-SG 3.34Å |
| 322 | S | 85 | Confident | 74.9 | Confident | 42 Ų | 42 | 83.2 Ų | 83.2 | 29% | 0.294 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.2 | -30.1 | 175.8 | 79.9 | 0 | 0 | 0 | 0 | 112.8 | Q318 A319 C320 C326 | Q318-S322 WeakPolarHBondContact O-CB 3.36Å; Q318-S322 PolarHBondContact O-N 3.02Å; A319-S322 PolarHBondContact O-N 2.89Å; A319-S322 PolarHBondContact O-OG 2.81Å; C320-S322 VanDerWaalsContact C-N 3.28Å; C320-S322 PolarHBondContact O-N 3.47Å; S322-C326 WeakPolarHBondContact O-CB 3.36Å; S322-C326 PolarHBondContact O-N 2.87Å; S322-C326 VanDerWaalsContact O-N 3.08Å; S322-C326 PolarHBondContact O-SG 3.29Å; S322-C326 VanDerWaalsContact O-SG 3.38Å |
| 323 | M | 82.7 | Confident | 72.8 | Confident | 90 Ų | 90 | 82 Ų | 82 | 44% | 0.443 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.3 | -47.5 | 174 | -162.3 | 175.8 | 172.5 | 0 | 0 | 111.1 | L48 W51 A319 C320 T321 C326 G327 | L48-M323 HydrophobicContact CD1-SD 4.28Å; W51-M323 HydrophobicContact CD2-SD 4.07Å; W51-M323 HydrophobicContact CE3-SD 3.98Å; W51-M323 HydrophobicContact CH2-CB 3.41Å; W51-M323 VanDerWaalsContact CH2-CB 3.41Å; W51-M323 HydrophobicContact CH2-CG 3.5Å; W51-M323 HydrophobicContact CH2-SD 3.65Å; W51-M323 HydrophobicContact CZ2-CB 4.12Å; W51-M323 HydrophobicContact CZ2-CE 4.37Å; W51-M323 HydrophobicContact CZ2-CG 3.68Å; W51-M323 HydrophobicContact CZ2-SD 3.69Å; W51-M323 HydrophobicContact CZ3-CB 3.88Å; W51-M323 HydrophobicContact CZ3-CG 4.13Å; W51-M323 HydrophobicContact CZ3-SD 3.78Å; A319-M323 PolarHBondContact O-N 3.42Å; C320-M323 VanDerWaalsContact O-CB 3.25Å; C320-M323 WeakPolarHBondContact O-CB 3.09Å; C320-M323 PolarHBondContact O-N 2.93Å; C320-M323 VanDerWaalsContact O-N 3.1Å; T321-M323 PolarHBondContact O-N 2.02Å; M323-C326 PolarHBondContact O-N 3.05Å; M323-G327 PolarHBondContact O-N 2.93Å |
| 324 | L | 83.5 | Confident | 70.8 | Confident | 116 Ų | 116 | 88.1 Ų | 88.1 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | -179.3 | -64.7 | 171.1 | 0 | 0 | 0 | 111.3 | C320 T321 G327 Q328 | C320-L324 PolarHBondContact O-N 3.2Å; T321-L324 PolarHBondContact O-N 3.48Å; L324-G327 PolarHBondContact O-N 3.38Å; L324-Q328 WeakPolarHBondContact O-CG 3.31Å; L324-Q328 PolarHBondContact O-N 2.73Å; L324-Q328 VanDerWaalsContact O-N 3.16Å |
| 325 | C | 74.6 | Confident | 68.7 | Low | 69 Ų | 69 | 90.6 Ų | 90.6 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.3 | -39.3 | 177.7 | -62.5 | 0 | 0 | 0 | 0 | 113 | T321 G327 Q328 S329 | T321-C325 PolarHBondContact O-N 3.1Å; T321-C325 PolarHBondContact O-SG 3.4Å; T321-C325 VanDerWaalsContact O-SG 3.34Å; C325-G327 PolarHBondContact O-N 3Å; C325-Q328 PolarHBondContact O-N 2.99Å; C325-Q328 VanDerWaalsContact O-N 3.09Å; C325-S329 PolarHBondContact O-N 2.8Å; C325-S329 PolarHBondContact O-OG 2.96Å |
| 326 | C | 60.5 | Low | 66.9 | Low | 69 Ų | 69 | 94.1 Ų | 94.1 | 47% | 0.466 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.9 | -27.6 | 175 | -77.8 | 0 | 0 | 0 | 0 | 112.7 | S322 M323 R330 | S322-C326 WeakPolarHBondContact O-CB 3.36Å; S322-C326 PolarHBondContact O-N 2.87Å; S322-C326 VanDerWaalsContact O-N 3.08Å; S322-C326 PolarHBondContact O-SG 3.29Å; S322-C326 VanDerWaalsContact O-SG 3.38Å; M323-C326 PolarHBondContact O-N 3.05Å; C326-R330 WeakPolarHBondContact O-CG 3.24Å; C326-R330 PolarHBondContact O-N 2.86Å |
| 327 | G | 57.4 | Low | 64.6 | Low | 45 Ų | 45 | 98.2 Ų | 98.2 | 46% | 0.464 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.4 | -37.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M323 L324 C325 | M323-G327 PolarHBondContact O-N 2.93Å; L324-G327 PolarHBondContact O-N 3.38Å; C325-G327 PolarHBondContact O-N 3Å |
| 328 | Q | 53.6 | Low | 62.3 | Low | 137 Ų | 137 | 96.4 Ų | 96.4 | 64% | 0.64 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -78 | -43.2 | -179.5 | -69.9 | 173.5 | 3.8 | 0 | 0 | 113.2 | L324 C325 R330 C331 A332 | L324-Q328 WeakPolarHBondContact O-CG 3.31Å; L324-Q328 PolarHBondContact O-N 2.73Å; L324-Q328 VanDerWaalsContact O-N 3.16Å; C325-Q328 PolarHBondContact O-N 2.99Å; C325-Q328 VanDerWaalsContact O-N 3.09Å; Q328-R330 VanDerWaalsContact C-N 3.28Å; Q328-R330 PolarHBondContact O-N 3.07Å; Q328-C331 PolarHBondContact O-N 3.03Å; Q328-C331 VanDerWaalsContact O-N 3.16Å; Q328-A332 PolarHBondContact O-N 3.27Å |
| 329 | S | 53.2 | Low | 60.1 | Low | 89 Ų | 89 | 96.3 Ų | 96.3 | 62% | 0.622 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.6 | -22.2 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | C325 C331 | C325-S329 PolarHBondContact O-N 2.8Å; C325-S329 PolarHBondContact O-OG 2.96Å; S329-C331 VanDerWaalsContact C-N 3.32Å |
| 330 | R | 50.7 | Low | 57.9 | Low | 225 Ų | 225 | 99 Ų | 99 | 85% | 0.849 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -17.4 | 173.3 | -79.2 | -174.9 | 169.3 | -169.1 | -4.1 | 113.7 | C326 Q328 | C326-R330 WeakPolarHBondContact O-CG 3.24Å; C326-R330 PolarHBondContact O-N 2.86Å; Q328-R330 VanDerWaalsContact C-N 3.28Å; Q328-R330 PolarHBondContact O-N 3.07Å |
| 331 | C | 45.7 | Very low | 55.7 | Low | 109 Ų | 109 | 107 Ų | 107 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -17 | 172.1 | -67.2 | 0 | 0 | 0 | 0 | 113.3 | Q328 S329 | Q328-C331 PolarHBondContact O-N 3.03Å; Q328-C331 VanDerWaalsContact O-N 3.16Å; S329-C331 VanDerWaalsContact C-N 3.32Å |
| 332 | A | 51.5 | Low | 53.7 | Low | 75 Ų | 75 | 113.4 Ų | 113.4 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -90.9 | 3.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q328 | Q328-A332 PolarHBondContact O-N 3.27Š|
| 333 | G | 45.8 | Very low | 51.6 | Low | 67 Ų | 67 | 117.3 Ų | 117.3 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 5.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 334 | T | 44.8 | Very low | 50.2 | Low | 134 Ų | 134 | 118.1 Ų | 118.1 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 11.4 | -172.7 | 34.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 335 | S | 42.1 | Very low | 48.5 | Very low | 90 Ų | 90 | 118.1 Ų | 118.1 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | -149.5 | 85.7 | -180 | 44.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 336 | H | 44.2 | Very low | 47.5 | Very low | 199 Ų | 199 | 126.3 Ų | 126.3 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -175 | 102.2 | 139.7 | -100.6 | -66.8 | 0 | 0 | 0 | 110.4 | ||||
| 337 | S | 39.9 | Very low | 47 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -93.2 | 144.1 | 163 | 49.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 338 | S | 41 | Very low | 46.3 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 77.3 | 136.7 | 156.7 | 79.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 339 | S | 42.2 | Very low | 46.2 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | 98.8 | 120.1 | 151.4 | 75.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 340 | G | 40.7 | Very low | 46.1 | Very low | 82 Ų | 82 | 132.3 Ų | 132.3 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | 131.5 | 81.6 | 140.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 341 | E | 42.4 | Very low | 46.2 | Very low | 191 Ų | 191 | 127.6 Ų | 127.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -65.4 | 141.2 | 159.5 | -66.4 | 167.8 | 123.2 | 0 | 0 | 111.8 | ||||
| 342 | K | 45.5 | Very low | 46.2 | Very low | 212 Ų | 212 | 131.2 Ų | 131.2 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | trans | -148.3 | 116.3 | 149.9 | -80.3 | -164.7 | 178.5 | 173.5 | 0 | 111.8 | ||||
| 343 | S | 42.5 | Very low | 46.3 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -73.1 | 151.7 | 169.4 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 344 | A | 52.8 | Low | 46.5 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 88% | 0.876 | 83% | 0.833 | S | S | * | * | trans | -144 | 113.6 | 157 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 345 | S | 47.6 | Very low | 46.8 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -99.6 | 139.8 | 171.7 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 346 | Y | 53.8 | Low | 47.2 | Very low | 242 Ų | 242 | 133.6 Ų | 133.6 | 95% | 0.949 | 84% | 0.84 | S | S | * | * | trans | -126.2 | 131.5 | 163.2 | -107.1 | -89.3 | 0 | 0 | 0 | 109.3 | ||||
| 347 | S | 49.3 | Very low | 47.4 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | trans | -110 | 138.1 | -168.4 | -168.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 348 | S | 43.5 | Very low | 47.8 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 85% | 0.85 | S | S | * | * | trans | 49.2 | 123.7 | 140.5 | 63.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 349 | G | 52.2 | Low | 48 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 89% | 0.887 | 85% | 0.85 | S | S | * | * | trans | -136 | 118.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 350 | H | 49.1 | Very low | 48.1 | Very low | 164 Ų | 164 | 139 Ų | 139 | 76% | 0.759 | 85% | 0.852 | S | S | * | * | trans | -104.2 | 139.1 | -175.7 | -130.6 | -29.8 | 0 | 0 | 0 | 109.5 | ||||
| 351 | S | 53.5 | Low | 48.1 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 89% | 0.888 | 85% | 0.853 | S | S | * | * | trans | -161.7 | 114.7 | 152.4 | -76.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 352 | Q | 46.6 | Very low | 48 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 86% | 0.86 | 85% | 0.85 | S | S | * | * | trans | -96.2 | 151.2 | 170.9 | -75 | -177.6 | -6.8 | 0 | 0 | 110.2 | ||||
| 353 | G | 52.8 | Low | 47.9 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 85% | 0.846 | S | S | * | * | trans | -152.3 | 132.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 354 | P | 51 | Low | 47.9 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | trans | -106.6 | 166 | -169.3 | 39.4 | -32 | 0 | 0 | 0 | 114.2 | ||||
| 355 | G | 49.9 | Very low | 47.3 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | trans | 135.2 | 119.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 356 | P | 50.1 | Low | 46.8 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | -98.9 | 158.9 | -169.1 | 38.3 | -33.5 | 0 | 0 | 0 | 114 | ||||
| 357 | N | 50.2 | Low | 46.1 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | -151.4 | 139.9 | 153.4 | -127.1 | -10.7 | 0 | 0 | 0 | 113.4 | ||||
| 358 | M | 46.9 | Very low | 45.4 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 95% | 0.951 | 84% | 0.84 | S | S | * | * | trans | -67.6 | 153.1 | -172.4 | -71.1 | 177.5 | 167.2 | 0 | 0 | 114.6 | ||||
| 359 | G | 45 | Very low | 45.1 | Very low | 74 Ų | 74 | 141 Ų | 141 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | trans | 173.2 | 74.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 360 | K | 45.5 | Very low | 44.4 | Very low | 217 Ų | 217 | 144.9 Ų | 144.9 | 94% | 0.943 | 84% | 0.836 | S | S | * | * | trans | 27.6 | 126.3 | 149.7 | -72.4 | 179.2 | 172.6 | 177.6 | 0 | 121.3 | ||||
| 361 | G | 40.6 | Very low | 43.8 | Very low | 85 Ų | 85 | 142.7 Ų | 142.7 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | 122 | 116.1 | 123.3 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 362 | G | 40.6 | Very low | 43 | Very low | 80 Ų | 80 | 147.4 Ų | 147.4 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | 133.8 | 89.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 363 | E | 43 | Very low | 42.4 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | -39.9 | 151.3 | 155.5 | -74.6 | 160.1 | 100 | 0 | 0 | 112.6 | ||||
| 364 | Q | 42.1 | Very low | 41.5 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 77% | 0.771 | 82% | 0.822 | S | S | * | * | cis | -171.1 | 129.1 | 42 | -129.8 | 162.4 | 30.5 | 0 | 0 | 110.3 | ||||
| 365 | M | 40.6 | Very low | 40.8 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | 68.3 | 111.6 | 125.9 | -146.3 | 162.7 | -169.4 | 0 | 0 | 122.7 | |||||
| 366 | H | 37.6 | Very low | 40.1 | Very low | 175 Ų | 175 | 149.1 Ų | 149.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -53.7 | 143.7 | 158.2 | -106.6 | -105.5 | 0 | 0 | 0 | 113.6 | ||||
| 367 | E | 37.6 | Very low | 39.4 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | -162.8 | 133.3 | 120.4 | -147.5 | 164.4 | 127 | 0 | 0 | 112.4 | |||||
| 368 | K | 34.2 | Very low | 38.7 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -109 | 130.6 | 167.1 | -93.5 | 179.3 | 174.3 | 175.4 | 0 | 106.9 | ||||
| 369 | S | 39 | Very low | 38.2 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -155.9 | 155.6 | 163 | 44.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 370 | I | 36 | Very low | 37.9 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -99.6 | 163.9 | -155.4 | -80.2 | 169.1 | 0 | 0 | 0 | 110.3 | ||||
| 371 | P | 37 | Very low | 37.5 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -91.1 | 159.9 | -151.4 | 35.6 | -29.8 | 0 | 0 | 0 | 114.7 | ||||
| 372 | Y | 36.7 | Very low | 37.4 | Very low | 226 Ų | 226 | 151.8 Ų | 151.8 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | trans | -108.9 | 141 | 177.6 | -126.5 | -95.3 | 0 | 0 | 0 | 112.6 | ||||
| 373 | S | 33.8 | Very low | 37.2 | Very low | 83 Ų | 83 | 155.8 Ų | 155.8 | 58% | 0.58 | 80% | 0.797 | S | S | * | * | trans | -79.6 | 159.2 | 173.3 | 45 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 374 | Q | 33.8 | Very low | 36.9 | Very low | 158 Ų | 158 | 154.6 Ų | 154.6 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 84.6 | 138.9 | 141 | -107.2 | 176.3 | -44 | 0 | 0 | 121.1 | ||||
| 375 | E | 36.4 | Very low | 36.5 | Very low | 165 Ų | 165 | 153.9 Ų | 153.9 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | 76 | 145.9 | 151.6 | -67.7 | -178.7 | 147.5 | 0 | 0 | 117.5 | ||||
| 376 | T | 36.3 | Very low | 36.3 | Very low | 101 Ų | 101 | 152.5 Ų | 152.5 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | cis | -175 | 169.3 | -15.8 | -61.2 | 0 | 0 | 0 | 0 | 103 | ||||
| 377 | L | 34.1 | Very low | 36.2 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | 78.6 | 144.9 | 161.8 | -51.2 | 167.6 | 0 | 0 | 0 | 114.8 | ||||
| 378 | V | 35.4 | Very low | 36.1 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | cis | -170.7 | 144.9 | 0.9 | 128.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 379 | V | 37.3 | Very low | 36.2 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 40.2 | 106.1 | 147.6 | -172.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 380 | D | 38.8 | Very low | 36 | Very low | 233 Ų | 233 | 149 Ų | 149 | 100% | 1.246 | 79% | 0.79 | S | S | * | * | -153.5 | 0 | 112.7 | -97.1 | -24.5 | 0 | 0 | 0 | 110.3 |
Retrieved 380 of 380 residues in 68.1 ms
(Link to these results)