| 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 | Very low | 40.4 | Very low | 246 Ų | 246 | 133 Ų | 133 | 100% | 1.212 | 85% | 0.845 | S | S | * | * | 0 | 121.1 | 0 | -69.7 | 176 | -151.6 | 0 | 0 | 106.8 | |||||
| 2 | A | 33.9 | Very low | 39.4 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 85% | 0.851 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -69 | 131.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 3 | A | 41.6 | Very low | 38.9 | Very low | 98 Ų | 98 | 147.1 Ų | 147.1 | 81% | 0.81 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 125.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 4 | V | 41.3 | Very low | 38.6 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 81% | 0.806 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 125.5 | 169.6 | 178.6 | 0 | 0 | 0 | 0 | 107.2 | ||
| 5 | P | 41.7 | Very low | 38.1 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 68% | 0.682 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 130.9 | 173.8 | 30.8 | -28.8 | 0 | 0 | 0 | 109.6 | E7 | P5-E7 PolarHBondContact O-N 3.47Š|
| 6 | C | 41.7 | Very low | 38 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -70.3 | 104.5 | 163 | -87.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 7 | E | 38.6 | Very low | 38.2 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -83.8 | 136.9 | 164.8 | -92.3 | 176.8 | 152 | 0 | 0 | 111.1 | P5 C9 | P5-E7 PolarHBondContact O-N 3.47Å; E7-C9 PolarHBondContact O-N 3.06Å | ||
| 8 | N | 45.3 | Very low | 38.5 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | -44.8 | 120 | 177.4 | -82.8 | -31.8 | 0 | 0 | 0 | 114.1 | ||||
| 9 | C | 40.3 | Very low | 38.7 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | trans | -125.2 | 73.2 | 157.7 | -82.3 | 0 | 0 | 0 | 0 | 109.5 | E7 | E7-C9 PolarHBondContact O-N 3.06Š| ||
| 10 | S | 44.2 | Very low | 39.1 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -135.6 | 47.3 | 176.6 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 11 | G | 36.5 | Very low | 39.8 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -131 | -20.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 12 | W | 29.1 | Very low | 40.6 | Very low | 236 Ų | 236 | 124.2 Ų | 124.2 | 89% | 0.894 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -124.6 | 12.2 | -159 | -86.6 | 47.8 | 0 | 0 | 0 | 115.9 | ||
| 13 | Y | 33.1 | Very low | 42 | Very low | 213 Ų | 213 | 125.1 Ų | 125.1 | 84% | 0.835 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -108.3 | -8.4 | 177.7 | -84.2 | -81.8 | 0 | 0 | 0 | 115 | ||
| 14 | H | 33.7 | Very low | 43.1 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 75% | 0.745 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -95.8 | -15.5 | -176.5 | -90.6 | -53.7 | 0 | 0 | 0 | 115.5 | ||
| 15 | Y | 32 | Very low | 44.6 | Very low | 191 Ų | 191 | 118.2 Ų | 118.2 | 75% | 0.749 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -86.6 | -24 | -175.6 | -160.2 | -97.9 | 0 | 0 | 0 | 113.8 | ||
| 16 | T | 36.8 | Very low | 46.1 | Very low | 95 Ų | 95 | 116.4 Ų | 116.4 | 58% | 0.583 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -84.1 | -19.9 | -175.9 | -19.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 17 | Q | 41 | Very low | 48 | Very low | 71 Ų | 71 | 115 Ų | 115 | 33% | 0.332 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -88.7 | -20.8 | -170.7 | -163.8 | 172.9 | -0.4 | 0 | 0 | 114.1 | P21 Y173 | Q17-P21 WeakPolarHBondContact O-CD 3.38Å; Q17-P21 WeakPolarHBondContact O-CG 3.18Å; Q17-Y173 PolarHBondContact NE2-OH 2.94Å |
| 18 | V | 43.8 | Very low | 50 | Low | 104 Ų | 104 | 107.1 Ų | 107.1 | 63% | 0.63 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -82.5 | -28.9 | 179 | -179.8 | 0 | 0 | 0 | 0 | 112 | P21 | V18-P21 WeakPolarHBondContact O-CD 3.45Å; V18-P21 WeakPolarHBondContact O-CG 3.42Å |
| 19 | N | 42.4 | Very low | 51.8 | Low | 86 Ų | 86 | 102.3 Ų | 102.3 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -81.5 | -29.7 | -179 | -67.3 | -31.1 | 0 | 0 | 0 | 113.4 | E23 | N19-E23 WeakPolarHBondContact O-CB 3.1Å; N19-E23 PolarHBondContact O-N 3.38Å; N19-E23 VanDerWaalsContact O-N 3.09Å |
| 20 | Q | 46.8 | Very low | 54 | Low | 116 Ų | 116 | 101.7 Ų | 101.7 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 177.8 | -104.6 | 175.8 | -17.9 | 0 | 0 | 115.6 | E23 I24 | Q20-E23 PolarHBondContact O-N 2.84Å; Q20-I24 WeakPolarHBondContact O-CG1 3.31Å; Q20-I24 PolarHBondContact O-N 3.06Å |
| 21 | P | 53.8 | Low | 56 | Low | 24 Ų | 24 | 99.4 Ų | 99.4 | 16% | 0.156 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -70 | -33.9 | -179.5 | 24.6 | -32.9 | 0 | 0 | 0 | 112.7 | Q17 V18 S25 | Q17-P21 WeakPolarHBondContact O-CD 3.38Å; Q17-P21 WeakPolarHBondContact O-CG 3.18Å; V18-P21 WeakPolarHBondContact O-CD 3.45Å; V18-P21 WeakPolarHBondContact O-CG 3.42Å; P21-S25 WeakPolarHBondContact O-CB 3.39Å; P21-S25 PolarHBondContact O-N 2.76Å; P21-S25 PolarHBondContact O-OG 3.36Å |
| 22 | L | 55.2 | Low | 58.3 | Low | 94 Ų | 94 | 96.4 Ų | 96.4 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 175.2 | -170.4 | 68.9 | 0 | 0 | 0 | 111.4 | S25 C26 | L22-S25 PolarHBondContact O-N 3.26Å; L22-C26 WeakPolarHBondContact O-CB 3.37Å; L22-C26 PolarHBondContact O-N 2.83Å; L22-C26 PolarHBondContact O-SG 3.14Å; L22-C26 VanDerWaalsContact O-SG 3.35Å |
| 23 | E | 63 | Low | 61.2 | Low | 122 Ų | 122 | 90 Ų | 90 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 177.7 | -169 | 173.3 | -171.9 | 0 | 0 | 112 | N19 Q20 C26 M27 | N19-E23 WeakPolarHBondContact O-CB 3.1Å; N19-E23 PolarHBondContact O-N 3.38Å; N19-E23 VanDerWaalsContact O-N 3.09Å; Q20-E23 PolarHBondContact O-N 2.84Å; E23-C26 PolarHBondContact O-N 2.82Å; E23-M27 VanDerWaalsContact O-CG 3.27Å; E23-M27 WeakPolarHBondContact O-CG 3.16Å; E23-M27 PolarHBondContact O-N 3.39Å |
| 24 | I | 65.5 | Low | 63.8 | Low | 69 Ų | 69 | 81.5 Ų | 81.5 | 35% | 0.354 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 176.3 | -65.2 | 165.9 | 0 | 0 | 0 | 111.2 | Q20 M27 L28 | Q20-I24 WeakPolarHBondContact O-CG1 3.31Å; Q20-I24 PolarHBondContact O-N 3.06Å; I24-M27 PolarHBondContact O-N 3.39Å; I24-L28 PolarHBondContact O-N 2.9Å |
| 25 | S | 71.4 | Confident | 66.4 | Low | 17 Ų | 17 | 74.1 Ų | 74.1 | 12% | 0.119 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 179.1 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | P21 L22 L28 L29 | P21-S25 WeakPolarHBondContact O-CB 3.39Å; P21-S25 PolarHBondContact O-N 2.76Å; P21-S25 PolarHBondContact O-OG 3.36Å; L22-S25 PolarHBondContact O-N 3.26Å; S25-L28 PolarHBondContact O-N 2.82Å; S25-L29 WeakPolarHBondContact O-CB 3.21Å; S25-L29 PolarHBondContact O-N 2.91Å |
| 26 | C | 74.5 | Confident | 69.2 | Low | 68 Ų | 68 | 65.4 Ų | 65.4 | 46% | 0.459 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 173.4 | -77.6 | 0 | 0 | 0 | 0 | 112.4 | L22 E23 L29 L30 | L22-C26 WeakPolarHBondContact O-CB 3.37Å; L22-C26 PolarHBondContact O-N 2.83Å; L22-C26 PolarHBondContact O-SG 3.14Å; L22-C26 VanDerWaalsContact O-SG 3.35Å; E23-C26 PolarHBondContact O-N 2.82Å; C26-L29 PolarHBondContact O-N 3.46Å; C26-L30 WeakPolarHBondContact O-CB 3.18Å; C26-L30 PolarHBondContact O-N 2.92Å |
| 27 | M | 80.8 | Confident | 71.7 | Confident | 108 Ų | 108 | 67.6 Ų | 67.6 | 53% | 0.532 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 174.4 | -71 | -66.7 | -175.1 | 0 | 0 | 111.5 | E23 I24 L29 L30 I31 | E23-M27 VanDerWaalsContact O-CG 3.27Å; E23-M27 WeakPolarHBondContact O-CG 3.16Å; E23-M27 PolarHBondContact O-N 3.39Å; I24-M27 PolarHBondContact O-N 3.39Å; M27-L29 VanDerWaalsContact C-N 3.34Å; M27-L29 PolarHBondContact O-N 3.4Å; M27-L30 PolarHBondContact O-N 3Å; M27-I31 VanDerWaalsContact O-CG1 3.24Å; M27-I31 WeakPolarHBondContact O-CG1 3.44Å; M27-I31 PolarHBondContact O-N 2.93Å |
| 28 | L | 80.6 | Confident | 73.9 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 174.5 | 178.3 | 64.1 | 0 | 0 | 0 | 111.3 | I24 S25 L30 I31 M32 I73 I94 T98 F177 Y272 | I24-L28 PolarHBondContact O-N 2.9Å; S25-L28 PolarHBondContact O-N 2.82Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 3.39Å; L28-I31 PolarHBondContact O-N 2.8Å; L28-M32 HydrophobicContact CD1-CG 4.12Å; L28-M32 HydrophobicContact CG-CG 4.41Å; L28-M32 WeakPolarHBondContact O-CB 3.19Å; L28-M32 VanDerWaalsContact O-CG 3.28Å; L28-M32 WeakPolarHBondContact O-CG 3.44Å; L28-M32 PolarHBondContact O-N 3.48Å; L28-I73 HydrophobicContact CD2-CD1 4.37Å; L28-I94 HydrophobicContact CD2-CG2 3.91Å; L28-T98 HydrophobicContact CD1-CG2 4.39Å; L28-F177 HydrophobicContact CD1-CE1 4.19Å; L28-Y272 HydrophobicContact CD1-CE1 3.95Å; L28-Y272 HydrophobicContact CD1-CE2 3.94Å |
| 29 | L | 84.3 | Confident | 76 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.7 | -172.2 | 75.7 | 0 | 0 | 0 | 111.6 | S25 C26 M27 M32 L33 L70 I73 A74 | S25-L29 WeakPolarHBondContact O-CB 3.21Å; S25-L29 PolarHBondContact O-N 2.91Å; C26-L29 PolarHBondContact O-N 3.46Å; M27-L29 VanDerWaalsContact C-N 3.34Å; M27-L29 PolarHBondContact O-N 3.4Å; L29-M32 PolarHBondContact O-N 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.22Å; L29-L33 PolarHBondContact O-N 3.43Å; L29-L70 HydrophobicContact CD1-CD1 3.66Å; L29-L70 HydrophobicContact CG-CD1 4.42Å; L29-I73 HydrophobicContact CD1-CG2 4.18Å; L29-A74 HydrophobicContact CD1-CB 4.03Å |
| 30 | L | 85.8 | Confident | 78.1 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 64% | 0.644 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 178.1 | -167.7 | 104 | 0 | 0 | 0 | 111.7 | C26 M27 L28 L33 G34 | C26-L30 WeakPolarHBondContact O-CB 3.18Å; C26-L30 PolarHBondContact O-N 2.92Å; M27-L30 PolarHBondContact O-N 3Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 3.39Å; L30-L33 PolarHBondContact O-N 3.29Å; L30-G34 PolarHBondContact O-N 3.21Å |
| 31 | I | 85.8 | Confident | 80 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 33% | 0.328 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 177.9 | -66.7 | 165.6 | 0 | 0 | 0 | 110.2 | M27 L28 L33 G34 K35 Y272 M273 | M27-I31 VanDerWaalsContact O-CG1 3.24Å; M27-I31 WeakPolarHBondContact O-CG1 3.44Å; M27-I31 PolarHBondContact O-N 2.93Å; L28-I31 PolarHBondContact O-N 2.8Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 3.47Å; I31-G34 PolarHBondContact O-N 3.05Å; I31-K35 PolarHBondContact O-N 3.2Å; I31-Y272 HydrophobicContact CG2-CE2 3.73Å; I31-M273 HydrophobicContact CG2-CE 3.7Å; I31-M273 HydrophobicContact CG2-CG 4.04Å; I31-M273 HydrophobicContact CG2-SD 3.47Å; I31-M273 WeakPolarHBondContact CG2-SD 3.39Å |
| 32 | M | 85.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 178.1 | -71.9 | -56.9 | -56.4 | 0 | 0 | 112.2 | L28 L29 K35 V36 L69 L70 I73 Y272 | L28-M32 HydrophobicContact CD1-CG 4.12Å; L28-M32 HydrophobicContact CG-CG 4.41Å; L28-M32 WeakPolarHBondContact O-CB 3.19Å; L28-M32 VanDerWaalsContact O-CG 3.28Å; L28-M32 WeakPolarHBondContact O-CG 3.44Å; L28-M32 PolarHBondContact O-N 3.48Å; L29-M32 PolarHBondContact O-N 3.3Å; M32-K35 HydrophobicContact CE-CD 4.35Å; M32-K35 WeakPolarHBondContact O-CB 3.37Å; M32-K35 PolarHBondContact O-N 3.27Å; M32-V36 WeakPolarHBondContact O-CG2 3.34Å; M32-V36 PolarHBondContact O-N 3.45Å; M32-L69 HydrophobicContact CE-CD2 3.66Å; M32-L69 HydrophobicContact CE-CG 4.23Å; M32-L70 HydrophobicContact CB-CD1 3.86Å; M32-I73 HydrophobicContact CG-CD1 4.49Å; M32-Y272 HydrophobicContact SD-CD2 3.5Å; M32-Y272 WeakPolarHBondContact SD-CD2 3.33Å; M32-Y272 HydrophobicContact SD-CE2 3.9Å; M32-Y272 HydrophobicContact SD-CG 4.44Å |
| 33 | L | 89.4 | Confident | 82.8 | Confident | 100 Ų | 100 | 58.8 Ų | 58.8 | 52% | 0.524 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 174.2 | -176.9 | 143.6 | 0 | 0 | 0 | 111.3 | L29 L30 I31 K35 V36 F37 L70 | L29-L33 WeakPolarHBondContact O-CB 3.22Å; L29-L33 PolarHBondContact O-N 3.43Å; L30-L33 PolarHBondContact O-N 3.29Å; I31-L33 VanDerWaalsContact C-N 3.34Å; I31-L33 PolarHBondContact O-N 3.47Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.43Å; L33-V36 PolarHBondContact O-N 3.45Å; L33-F37 VanDerWaalsContact O-CB 3.3Å; L33-F37 WeakPolarHBondContact O-CB 3.47Å; L33-F37 PolarHBondContact O-N 3.28Å; L33-L70 HydrophobicContact CB-CD1 4.31Å; L33-L70 HydrophobicContact CB-CD2 4.31Å |
| 34 | G | 86.9 | Confident | 83.6 | Confident | 36 Ų | 36 | 59.4 Ų | 59.4 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L30 I31 L38 | L30-G34 PolarHBondContact O-N 3.21Å; I31-G34 PolarHBondContact O-N 3.05Å; G34-L38 WeakPolarHBondContact O-CB 3.34Å; G34-L38 PolarHBondContact O-N 2.94Å |
| 35 | K | 88.5 | Confident | 84.2 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -56.2 | 176 | -174.2 | -170.7 | -178.9 | -173.2 | 0 | 111.6 | I31 M32 L33 F37 L38 D39 D66 Y272 M273 M275 | I31-K35 PolarHBondContact O-N 3.2Å; M32-K35 HydrophobicContact CE-CD 4.35Å; M32-K35 WeakPolarHBondContact O-CB 3.37Å; M32-K35 PolarHBondContact O-N 3.27Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.43Å; K35-F37 VanDerWaalsContact C-N 3.32Å; K35-F37 PolarHBondContact O-N 3.07Å; K35-L38 PolarHBondContact O-N 3.3Å; K35-L38 VanDerWaalsContact O-N 3.17Å; K35-D39 PolarHBondContact O-N 3.36Å; K35-D66 WeakPolarHBondContact CE-OD2 3.46Å; K35-D66 IonicContact NZ-OD1 2.81Å; K35-D66 PolarHBondContact NZ-OD1 2.99Å; K35-D66 IonicContact NZ-OD2 3.65Å; K35-D66 PolarHBondContact NZ-OD2 3.46Å; K35-Y272 PolarHBondContact NZ-O 3.07Å; K35-M273 HydrophobicContact CB-CE 4.2Å; K35-M273 HydrophobicContact CB-SD 4.03Å; K35-M273 HydrophobicContact CD-SD 3.9Å; K35-M273 HydrophobicContact CG-SD 4.19Å; K35-M275 VanDerWaalsContact CE-O 3.31Å; K35-M275 WeakPolarHBondContact CE-O 3.3Å; K35-M275 PolarHBondContact NZ-O 2.92Å |
| 36 | V | 90.8 | Very high | 83.8 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.4 | -42.3 | -178.5 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | M32 L33 L38 D39 L40 D66 F67 L70 | M32-V36 WeakPolarHBondContact O-CG2 3.34Å; M32-V36 PolarHBondContact O-N 3.45Å; L33-V36 PolarHBondContact O-N 3.45Å; V36-L38 VanDerWaalsContact C-N 3.33Å; V36-L38 PolarHBondContact O-N 3.19Å; V36-D39 PolarHBondContact O-N 3.01Å; V36-L40 HydrophobicContact CG1-CD1 3.93Å; V36-L40 HydrophobicContact CG1-CG 4.35Å; V36-L40 WeakPolarHBondContact O-CB 3.33Å; V36-L40 VanDerWaalsContact O-CG 3.3Å; V36-L40 WeakPolarHBondContact O-CG 3.46Å; V36-L40 PolarHBondContact O-N 3.2Å; V36-D66 HydrophobicContact CG2-CB 3.82Å; V36-D66 WeakPolarHBondContact CG2-O 2.73Å; V36-F67 HydrophobicContact CG1-CB 4.19Å; V36-F67 HydrophobicContact CG1-CD2 3.98Å; V36-L70 HydrophobicContact CB-CD2 4.16Å; V36-L70 HydrophobicContact CG1-CD2 4.35Å; V36-L70 HydrophobicContact CG2-CB 4.21Å; V36-L70 HydrophobicContact CG2-CD2 4.05Å |
| 37 | F | 89 | Confident | 82.9 | Confident | 141 Ų | 141 | 66.1 Ų | 66.1 | 62% | 0.618 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.1 | -46.6 | 177.1 | 177.9 | -96.7 | 0 | 0 | 0 | 111.5 | L33 K35 L40 F41 | L33-F37 VanDerWaalsContact O-CB 3.3Å; L33-F37 WeakPolarHBondContact O-CB 3.47Å; L33-F37 PolarHBondContact O-N 3.28Å; K35-F37 VanDerWaalsContact C-N 3.32Å; K35-F37 PolarHBondContact O-N 3.07Å; F37-L40 PolarHBondContact O-N 2.77Å; F37-F41 VanDerWaalsContact O-CB 3.24Å; F37-F41 WeakPolarHBondContact O-CB 3.34Å; F37-F41 PolarHBondContact O-N 2.86Å |
| 38 | L | 87.2 | Confident | 81.6 | Confident | 73 Ų | 73 | 70 Ų | 70 | 38% | 0.382 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 179.3 | 158.9 | 155.4 | 0 | 0 | 0 | 111.8 | G34 K35 V36 F41 I42 P278 | G34-L38 WeakPolarHBondContact O-CB 3.34Å; G34-L38 PolarHBondContact O-N 2.94Å; K35-L38 PolarHBondContact O-N 3.3Å; K35-L38 VanDerWaalsContact O-N 3.17Å; V36-L38 VanDerWaalsContact C-N 3.33Å; V36-L38 PolarHBondContact O-N 3.19Å; L38-F41 PolarHBondContact O-N 2.94Å; L38-I42 WeakPolarHBondContact O-CB 3.31Å; L38-I42 VanDerWaalsContact O-CG1 3.25Å; L38-I42 WeakPolarHBondContact O-CG1 3.26Å; L38-I42 PolarHBondContact O-N 3.48Å; L38-P278 HydrophobicContact CD1-CG 4.13Å; L38-P278 HydrophobicContact CD2-CG 3.17Å; L38-P278 HydrophobicContact CG-CG 3.8Å |
| 39 | D | 89.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 175 | -71 | -25.1 | 0 | 0 | 0 | 111.8 | K35 V36 L43 A63 V277 P278 | K35-D39 PolarHBondContact O-N 3.36Å; V36-D39 PolarHBondContact O-N 3.01Å; D39-L43 WeakPolarHBondContact O-CG 3.3Å; D39-L43 PolarHBondContact O-N 3.21Å; D39-A63 HydrophobicContact CB-CB 4.15Å; D39-V277 HydrophobicContact CB-CB 4.08Å; D39-V277 HydrophobicContact CB-CG2 3.65Å; D39-V277 VanDerWaalsContact CG-CG2 3.5Å; D39-V277 WeakPolarHBondContact OD1-CB 3.28Å; D39-V277 WeakPolarHBondContact OD1-CG2 3.47Å; D39-V277 PolarHBondContact OD1-N 3.3Å; D39-P278 WeakPolarHBondContact OD1-CD 3.48Å |
| 40 | L | 87.1 | Confident | 78.8 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 177.5 | -68.8 | 175.9 | 0 | 0 | 0 | 112.3 | V36 F37 I42 L43 Q44 | V36-L40 HydrophobicContact CG1-CD1 3.93Å; V36-L40 HydrophobicContact CG1-CG 4.35Å; V36-L40 WeakPolarHBondContact O-CB 3.33Å; V36-L40 VanDerWaalsContact O-CG 3.3Å; V36-L40 WeakPolarHBondContact O-CG 3.46Å; V36-L40 PolarHBondContact O-N 3.2Å; F37-L40 PolarHBondContact O-N 2.77Å; L40-I42 VanDerWaalsContact C-N 3.32Å; L40-I42 PolarHBondContact O-N 3.1Å; L40-L43 PolarHBondContact O-N 3.38Å; L40-Q44 VanDerWaalsContact O-CG 3.32Å; L40-Q44 WeakPolarHBondContact O-CG 3.12Å; L40-Q44 PolarHBondContact O-N 3.42Å |
| 41 | F | 86.6 | Confident | 77.4 | Confident | 107 Ų | 107 | 74.1 Ų | 74.1 | 47% | 0.469 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.3 | -48.3 | 177.6 | 175.7 | -99.7 | 0 | 0 | 0 | 110.7 | F37 L38 L43 Q44 V45 | F37-F41 VanDerWaalsContact O-CB 3.24Å; F37-F41 WeakPolarHBondContact O-CB 3.34Å; F37-F41 PolarHBondContact O-N 2.86Å; L38-F41 PolarHBondContact O-N 2.94Å; F41-L43 PolarHBondContact O-N 2.91Å; F41-Q44 PolarHBondContact O-N 2.87Å; F41-V45 HydrophobicContact CD1-CG2 4.41Å; F41-V45 HydrophobicContact CD2-CG2 4.48Å; F41-V45 HydrophobicContact CE1-CG2 4.03Å; F41-V45 HydrophobicContact CE2-CG2 4.11Å; F41-V45 HydrophobicContact CZ-CG2 3.87Å; F41-V45 WeakPolarHBondContact O-CG2 3.34Å; F41-V45 PolarHBondContact O-N 3.48Å |
| 42 | I | 83.9 | Confident | 76.7 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 14% | 0.144 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 177.3 | -71.1 | -62.9 | 0 | 0 | 0 | 110.9 | L38 L40 Q44 V45 K46 V277 P278 Y281 F311 | L38-I42 WeakPolarHBondContact O-CB 3.31Å; L38-I42 VanDerWaalsContact O-CG1 3.25Å; L38-I42 WeakPolarHBondContact O-CG1 3.26Å; L38-I42 PolarHBondContact O-N 3.48Å; L40-I42 VanDerWaalsContact C-N 3.32Å; L40-I42 PolarHBondContact O-N 3.1Å; I42-Q44 VanDerWaalsContact C-N 3.32Å; I42-Q44 PolarHBondContact O-N 3.48Å; I42-V45 PolarHBondContact O-N 2.93Å; I42-K46 WeakPolarHBondContact O-CG 3.34Å; I42-K46 PolarHBondContact O-N 3.36Å; I42-V277 HydrophobicContact CB-CG1 4.45Å; I42-V277 HydrophobicContact CG2-CG1 3.75Å; I42-P278 HydrophobicContact CG1-CG 4.23Å; I42-Y281 HydrophobicContact CG2-CD2 3.61Å; I42-Y281 HydrophobicContact CG2-CE2 3.7Å; I42-F311 HydrophobicContact CD1-CE1 4.14Å; I42-F311 HydrophobicContact CD1-CZ 4.19Å; I42-F311 HydrophobicContact CG2-CE2 4.3Å; I42-F311 HydrophobicContact CG2-CZ 3.59Å |
| 43 | L | 82.1 | Confident | 76.4 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 177.5 | -73.4 | 171.9 | 0 | 0 | 0 | 112.9 | D39 L40 F41 K46 C59 V60 A63 V277 | D39-L43 WeakPolarHBondContact O-CG 3.3Å; D39-L43 PolarHBondContact O-N 3.21Å; L40-L43 PolarHBondContact O-N 3.38Å; F41-L43 PolarHBondContact O-N 2.91Å; L43-K46 PolarHBondContact O-N 3.18Å; L43-C59 HydrophobicContact CD2-CB 4.2Å; L43-V60 HydrophobicContact CD1-CG2 4.37Å; L43-V60 HydrophobicContact CD2-CG2 3.98Å; L43-A63 HydrophobicContact CD1-CB 3.56Å; L43-V277 HydrophobicContact CD2-CG1 4.45Å; L43-V277 HydrophobicContact CG-CG1 4.41Å |
| 44 | Q | 81.1 | Confident | 76.2 | Confident | 136 Ų | 136 | 70.1 Ų | 70.1 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.3 | -43.6 | 179.1 | -74.2 | 178.2 | 6.3 | 0 | 0 | 112.7 | L40 F41 I42 K46 Q47 | L40-Q44 VanDerWaalsContact O-CG 3.32Å; L40-Q44 WeakPolarHBondContact O-CG 3.12Å; L40-Q44 PolarHBondContact O-N 3.42Å; F41-Q44 PolarHBondContact O-N 2.87Å; I42-Q44 VanDerWaalsContact C-N 3.32Å; I42-Q44 PolarHBondContact O-N 3.48Å; Q44-K46 PolarHBondContact O-N 3.28Å; Q44-K46 VanDerWaalsContact O-N 3.08Å; Q44-Q47 PolarHBondContact O-N 2.82Å |
| 45 | V | 76.8 | Confident | 76.2 | Confident | 89 Ų | 89 | 68.4 Ų | 68.4 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.2 | -21.8 | 179.4 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | F41 I42 | F41-V45 HydrophobicContact CD1-CG2 4.41Å; F41-V45 HydrophobicContact CD2-CG2 4.48Å; F41-V45 HydrophobicContact CE1-CG2 4.03Å; F41-V45 HydrophobicContact CE2-CG2 4.11Å; F41-V45 HydrophobicContact CZ-CG2 3.87Å; F41-V45 WeakPolarHBondContact O-CG2 3.34Å; F41-V45 PolarHBondContact O-N 3.48Å; I42-V45 PolarHBondContact O-N 2.93Å |
| 46 | K | 64.8 | Low | 76 | Confident | 32 Ų | 32 | 69 Ų | 69 | 14% | 0.139 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -5.8 | -173.5 | -63.6 | -67.8 | 126.9 | 166.8 | 0 | 115.5 | I42 L43 Q44 K48 V50 P310 F311 | I42-K46 WeakPolarHBondContact O-CG 3.34Å; I42-K46 PolarHBondContact O-N 3.36Å; L43-K46 PolarHBondContact O-N 3.18Å; Q44-K46 PolarHBondContact O-N 3.28Å; Q44-K46 VanDerWaalsContact O-N 3.08Å; K46-K48 VanDerWaalsContact C-N 3.27Å; K46-K48 PolarHBondContact O-N 2.99Å; K46-V50 WeakPolarHBondContact O-CG2 3.31Å; K46-P310 HydrophobicContact CD-CB 3.5Å; K46-P310 VanDerWaalsContact CD-CB 3.5Å; K46-P310 HydrophobicContact CD-CG 4.05Å; K46-P310 WeakPolarHBondContact CD-O 2.98Å; K46-P310 HydrophobicContact CG-CB 4.38Å; K46-P310 VanDerWaalsContact NZ-C 3.31Å; K46-P310 PolarHBondContact NZ-O 2.95Å; K46-F311 HydrophobicContact CD-CD2 3.89Å; K46-F311 HydrophobicContact CD-CE1 4.14Å; K46-F311 HydrophobicContact CD-CE2 3.4Å; K46-F311 HydrophobicContact CD-CG 4.4Å; K46-F311 HydrophobicContact CD-CZ 3.54Å; K46-F311 VanDerWaalsContact CE-CE2 3.48Å; K46-F311 HydrophobicContact CG-CE2 3.89Å; K46-F311 HydrophobicContact CG-CZ 3.88Å; K46-F311 VanDerWaalsContact NZ-CA 3.34Å |
| 47 | Q | 55.4 | Low | 75.9 | Confident | 173 Ų | 173 | 70.5 Ų | 70.5 | 81% | 0.808 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -9.4 | -158.2 | -144.7 | 180 | 19.7 | 0 | 0 | 116.7 | Q44 | Q44-Q47 PolarHBondContact O-N 2.82Š|
| 48 | K | 53.6 | Low | 76 | Confident | 190 Ų | 190 | 63.8 Ų | 63.8 | 83% | 0.826 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -24.1 | -163.5 | -91.3 | -178 | 175.7 | 178.4 | 0 | 119 | K46 | K46-K48 VanDerWaalsContact C-N 3.27Å; K46-K48 PolarHBondContact O-N 2.99Å |
| 49 | N | 49.8 | Very low | 76.1 | Confident | 144 Ų | 144 | 60.3 Ų | 60.3 | 77% | 0.77 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -148.8 | 14.3 | -170.3 | -75.1 | -48.8 | 0 | 0 | 0 | 116.9 | ||
| 50 | V | 54.8 | Low | 76.1 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | trans | -94.9 | 128.3 | -169 | -166.9 | 0 | 0 | 0 | 0 | 110.4 | K46 V52 P310 | K46-V50 WeakPolarHBondContact O-CG2 3.31Å; V50-V52 PolarHBondContact O-N 3.32Å; V50-P310 HydrophobicContact CB-CB 4.19Å; V50-P310 HydrophobicContact CG1-CB 3.75Å; V50-P310 HydrophobicContact CG1-CG 4.29Å; V50-P310 HydrophobicContact CG2-CB 3.33Å | ||
| 51 | K | 56.9 | Low | 76.4 | Confident | 75 Ų | 75 | 61.4 Ų | 61.4 | 33% | 0.326 | 31% | 0.313 | S | S | . | . | trans | -57.9 | 136.5 | 168 | -73.9 | -178.9 | 174 | 178.8 | 0 | 109.1 | S53 E304 | K51-S53 PolarHBondContact O-N 2.84Å; K51-E304 WeakPolarHBondContact CE-O 3.49Å; K51-E304 PolarHBondContact NZ-O 2.91Å; K51-E304 IonicContact NZ-OE2 2.82Å; K51-E304 PolarHBondContact NZ-OE2 3.28Å | ||
| 52 | V | 71.7 | Confident | 76.6 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | trans | -68.1 | 99.7 | -176.7 | -177.8 | 0 | 0 | 0 | 0 | 110 | V50 Y57 P131 | V50-V52 PolarHBondContact O-N 3.32Å; V52-Y57 HydrophobicContact CB-CE2 4.43Å; V52-Y57 HydrophobicContact CG1-CD2 3.82Å; V52-Y57 HydrophobicContact CG1-CE2 2.96Å; V52-Y57 WeakPolarHBondContact CG1-OH 3.4Å; V52-P131 HydrophobicContact CB-CG 4.47Å | ||
| 53 | S | 79.1 | Confident | 77 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | trans | -94.9 | 162.1 | 177.3 | 66.3 | 0 | 0 | 0 | 0 | 112.4 | K51 M55 G56 Y57 | K51-S53 PolarHBondContact O-N 2.84Å; S53-M55 PolarHBondContact O-N 3.08Å; S53-G56 PolarHBondContact O-N 3.49Å; S53-G56 PolarHBondContact OG-N 2.73Å; S53-Y57 PolarHBondContact O-N 2.53Å | ||
| 54 | F | 86.3 | Confident | 77.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54 | -44.9 | 170.5 | 166.1 | -103.7 | 0 | 0 | 0 | 111.5 | G56 Y57 F58 V112 V115 A116 D119 Y139 V142 V143 I146 | F54-G56 VanDerWaalsContact C-N 3.29Å; F54-G56 PolarHBondContact O-N 3.02Å; F54-Y57 PolarHBondContact O-N 2.87Å; F54-Y57 VanDerWaalsContact O-N 3.1Å; F54-F58 HydrophobicContact CZ-CB 4.33Å; F54-F58 HydrophobicContact CZ-CD2 4.36Å; F54-F58 PolarHBondContact O-N 3.35Å; F54-V112 HydrophobicContact CE1-CG1 4.19Å; F54-V115 HydrophobicContact CD1-CB 4.3Å; F54-V115 HydrophobicContact CD1-CG1 3.75Å; F54-V115 HydrophobicContact CD2-CG1 3.79Å; F54-V115 HydrophobicContact CE1-CB 3.81Å; F54-V115 HydrophobicContact CE1-CG1 3.63Å; F54-V115 HydrophobicContact CE2-CB 4.46Å; F54-V115 HydrophobicContact CE2-CG1 3.67Å; F54-V115 HydrophobicContact CG-CG1 3.82Å; F54-V115 HydrophobicContact CZ-CB 3.91Å; F54-V115 HydrophobicContact CZ-CG1 3.6Å; F54-A116 HydrophobicContact CD1-CB 4.24Å; F54-A116 HydrophobicContact CE1-CB 4.49Å; F54-D119 HydrophobicContact CB-CB 4.06Å; F54-D119 VanDerWaalsContact CB-OD2 3.3Å; F54-D119 WeakPolarHBondContact CB-OD2 3.33Å; F54-D119 PolarHBondContact N-OD2 2.97Å; F54-Y139 HydrophobicContact CB-CD1 3.87Å; F54-Y139 HydrophobicContact CB-CE1 3.85Å; F54-Y139 HydrophobicContact CB-CG 4.49Å; F54-Y139 HydrophobicContact CD2-CD1 4.3Å; F54-V142 HydrophobicContact CD2-CG1 4.44Å; F54-V142 HydrophobicContact CE2-CG1 3.87Å; F54-V143 HydrophobicContact CD2-CG2 4.12Å; F54-V143 HydrophobicContact CE2-CG2 3.66Å; F54-I146 HydrophobicContact CE2-CD1 3.99Å; F54-I146 HydrophobicContact CZ-CD1 3.63Å |
| 55 | M | 86.1 | Confident | 77.9 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.7 | -37.9 | -177.7 | -160.4 | 62.1 | 148.5 | 0 | 0 | 112 | S53 F58 C59 V112 L280 N284 | S53-M55 PolarHBondContact O-N 3.08Å; M55-F58 PolarHBondContact O-N 2.96Å; M55-C59 WeakPolarHBondContact O-CB 3.42Å; M55-C59 PolarHBondContact O-N 2.91Å; M55-C59 PolarHBondContact O-SG 3.46Å; M55-V112 HydrophobicContact SD-CG1 4.1Å; M55-L280 HydrophobicContact CE-CB 3.71Å; M55-L280 HydrophobicContact CE-CD2 3.56Å; M55-L280 HydrophobicContact CE-CG 4.19Å; M55-L280 WeakPolarHBondContact CE-O 3.24Å; M55-L280 HydrophobicContact SD-CD2 4.39Å; M55-N284 WeakPolarHBondContact CB-OD1 3.22Å; M55-N284 HydrophobicContact CG-CB 4.06Å |
| 56 | G | 85 | Confident | 78.7 | Confident | 18 Ų | 18 | 50 Ų | 50 | 19% | 0.186 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S53 F54 C59 V60 | S53-G56 PolarHBondContact O-N 3.49Å; S53-G56 PolarHBondContact OG-N 2.73Å; F54-G56 VanDerWaalsContact C-N 3.29Å; F54-G56 PolarHBondContact O-N 3.02Å; G56-C59 PolarHBondContact O-N 3.48Å; G56-V60 WeakPolarHBondContact O-CG2 3.4Å; G56-V60 PolarHBondContact O-N 2.89Å |
| 57 | Y | 87.4 | Confident | 80 | Confident | 39 Ų | 39 | 53 Ų | 53 | 15% | 0.153 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 175.4 | -82.5 | -65.9 | 0 | 0 | 0 | 112.7 | V52 S53 F54 V60 S61 R136 Y139 V140 | V52-Y57 HydrophobicContact CB-CE2 4.43Å; V52-Y57 HydrophobicContact CG1-CD2 3.82Å; V52-Y57 HydrophobicContact CG1-CE2 2.96Å; V52-Y57 WeakPolarHBondContact CG1-OH 3.4Å; S53-Y57 PolarHBondContact O-N 2.53Å; F54-Y57 PolarHBondContact O-N 2.87Å; F54-Y57 VanDerWaalsContact O-N 3.1Å; Y57-V60 PolarHBondContact O-N 3.33Å; Y57-S61 PolarHBondContact O-N 2.82Å; Y57-R136 HydrophobicContact CE1-CG 4.5Å; Y57-R136 HydrophobicContact CE2-CG 4.28Å; Y57-R136 WeakPolarHBondContact OH-CD 3.48Å; Y57-R136 WeakPolarHBondContact OH-CG 3.36Å; Y57-R136 PolarHBondContact OH-NE 3.44Å; Y57-Y139 VanDerWaalsContact CD2-CB 3.5Å; Y57-Y139 AromaticContact CD2-CD2 3.73Å; Y57-Y139 HydrophobicContact CD2-CD2 3.73Å; Y57-Y139 HydrophobicContact CD2-CG 4Å; Y57-Y139 AromaticContact CE2-CD2 3.76Å; Y57-Y139 HydrophobicContact CE2-CD2 3.76Å; Y57-Y139 HydrophobicContact CE2-CG 4.36Å; Y57-V140 HydrophobicContact CD1-CG2 4.22Å; Y57-V140 HydrophobicContact CE1-CG2 4.22Å |
| 58 | F | 90.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 178.1 | -170.9 | -88 | 0 | 0 | 0 | 111 | F54 M55 V60 S61 L62 L108 V112 V143 I146 W147 M275 L280 | F54-F58 HydrophobicContact CZ-CB 4.33Å; F54-F58 HydrophobicContact CZ-CD2 4.36Å; F54-F58 PolarHBondContact O-N 3.35Å; M55-F58 PolarHBondContact O-N 2.96Å; F58-V60 PolarHBondContact O-N 3.45Å; F58-S61 PolarHBondContact O-N 3.22Å; F58-S61 VanDerWaalsContact O-N 3.11Å; F58-S61 PolarHBondContact O-OG 3.47Å; F58-L62 HydrophobicContact CE1-CB 4.46Å; F58-L62 PolarHBondContact O-N 3.43Å; F58-L108 HydrophobicContact CE2-CD2 4.05Å; F58-L108 HydrophobicContact CZ-CD2 3.81Å; F58-V112 HydrophobicContact CD1-CG1 4.01Å; F58-V112 HydrophobicContact CD1-CG2 4.29Å; F58-V112 HydrophobicContact CD2-CG2 3.85Å; F58-V112 HydrophobicContact CE1-CG1 4.23Å; F58-V112 HydrophobicContact CE1-CG2 3.94Å; F58-V112 HydrophobicContact CE2-CG2 3.44Å; F58-V112 VanDerWaalsContact CE2-CG2 3.44Å; F58-V112 HydrophobicContact CG-CG1 4.21Å; F58-V112 HydrophobicContact CG-CG2 4.27Å; F58-V112 HydrophobicContact CZ-CG2 3.5Å; F58-V143 HydrophobicContact CB-CG2 4.23Å; F58-V143 HydrophobicContact CD2-CG1 4.3Å; F58-V143 HydrophobicContact CD2-CG2 4.32Å; F58-I146 HydrophobicContact CE2-CG2 4.19Å; F58-W147 HydrophobicContact CE1-CZ2 4.45Å; F58-W147 AromaticContact CE2-CE2 4Å; F58-W147 HydrophobicContact CE2-CZ2 4.03Å; F58-W147 AromaticContact CE2-NE1 3.88Å; F58-W147 HydrophobicContact CZ-CH2 4.28Å; F58-W147 AromaticContact CZ-CZ2 3.68Å; F58-W147 HydrophobicContact CZ-CZ2 3.68Å; F58-M275 HydrophobicContact CD1-CE 4.39Å; F58-M275 HydrophobicContact CE1-CE 3.38Å; F58-M275 HydrophobicContact CE1-SD 3.99Å; F58-M275 HydrophobicContact CZ-CE 3.7Å; F58-M275 HydrophobicContact CZ-SD 4.13Å; F58-L280 HydrophobicContact CD1-CD1 3.75Å; F58-L280 HydrophobicContact CE1-CD1 3.85Å |
| 59 | C | 89.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 175.1 | -72.5 | 0 | 0 | 0 | 0 | 113 | L43 M55 G56 S61 L62 A63 V277 Y281 | L43-C59 HydrophobicContact CD2-CB 4.2Å; M55-C59 WeakPolarHBondContact O-CB 3.42Å; M55-C59 PolarHBondContact O-N 2.91Å; M55-C59 PolarHBondContact O-SG 3.46Å; G56-C59 PolarHBondContact O-N 3.48Å; C59-S61 VanDerWaalsContact C-N 3.35Å; C59-L62 PolarHBondContact O-N 3.03Å; C59-A63 PolarHBondContact O-N 3.21Å; C59-V277 HydrophobicContact CB-CG1 3.96Å; C59-V277 HydrophobicContact CB-CG2 4.25Å; C59-Y281 HydrophobicContact CB-CE2 4.39Å |
| 60 | V | 89.7 | Confident | 85.5 | Confident | 69 Ų | 69 | 34 Ų | 34 | 42% | 0.418 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L43 G56 Y57 F58 L62 A63 L64 | L43-V60 HydrophobicContact CD1-CG2 4.37Å; L43-V60 HydrophobicContact CD2-CG2 3.98Å; G56-V60 WeakPolarHBondContact O-CG2 3.4Å; G56-V60 PolarHBondContact O-N 2.89Å; Y57-V60 PolarHBondContact O-N 3.33Å; F58-V60 PolarHBondContact O-N 3.45Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 2.88Å; V60-A63 PolarHBondContact O-N 3.37Å; V60-L64 HydrophobicContact CG1-CD1 4.24Å; V60-L64 WeakPolarHBondContact O-CG 3.43Å; V60-L64 PolarHBondContact O-N 3.42Å; V60-L64 VanDerWaalsContact O-N 3.09Å |
| 61 | S | 92.6 | Very high | 87.1 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 16% | 0.161 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.4 | -37.8 | 177.7 | 76.8 | 0 | 0 | 0 | 0 | 112.8 | Y57 F58 C59 L64 L65 V143 W147 | Y57-S61 PolarHBondContact O-N 2.82Å; F58-S61 PolarHBondContact O-N 3.22Å; F58-S61 VanDerWaalsContact O-N 3.11Å; F58-S61 PolarHBondContact O-OG 3.47Å; C59-S61 VanDerWaalsContact C-N 3.35Å; S61-L64 PolarHBondContact O-N 3.01Å; S61-L65 PolarHBondContact O-N 3.5Å; S61-V143 VanDerWaalsContact OG-CG1 3.27Å; S61-V143 WeakPolarHBondContact OG-CG1 3.38Å; S61-W147 PolarHBondContact OG-NE1 3.05Å |
| 62 | L | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.7 | -48.8 | 176.8 | -179.3 | 67.2 | 0 | 0 | 0 | 110.8 | F58 C59 V60 L64 L65 D66 Y105 W147 M275 V277 L280 | F58-L62 HydrophobicContact CE1-CB 4.46Å; F58-L62 PolarHBondContact O-N 3.43Å; C59-L62 PolarHBondContact O-N 3.03Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 2.88Å; L62-L64 VanDerWaalsContact C-N 3.27Å; L62-L64 PolarHBondContact O-N 2.92Å; L62-L65 WeakPolarHBondContact O-CB 3.38Å; L62-L65 PolarHBondContact O-N 3.25Å; L62-D66 PolarHBondContact O-N 3.46Å; L62-Y105 HydrophobicContact CD1-CD1 4.39Å; L62-Y105 HydrophobicContact CD1-CE1 3.61Å; L62-W147 HydrophobicContact CB-CZ2 4.48Å; L62-W147 HydrophobicContact CD1-CH2 3.91Å; L62-W147 HydrophobicContact CD1-CZ2 4.06Å; L62-M275 HydrophobicContact CD2-CG 4.13Å; L62-V277 HydrophobicContact CD2-CG2 4.29Å; L62-L280 HydrophobicContact CD2-CD1 3.55Å |
| 63 | A | 91 | Very high | 89.3 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -37.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | D39 L43 C59 V60 F67 V277 | D39-A63 HydrophobicContact CB-CB 4.15Å; L43-A63 HydrophobicContact CD1-CB 3.56Å; C59-A63 PolarHBondContact O-N 3.21Å; V60-A63 PolarHBondContact O-N 3.37Å; A63-F67 VanDerWaalsContact O-CB 3.25Å; A63-F67 WeakPolarHBondContact O-CB 3.42Å; A63-F67 PolarHBondContact O-N 2.95Å; A63-V277 HydrophobicContact CB-CG2 4.48Å |
| 64 | L | 91.7 | Very high | 89.8 | Confident | 109 Ų | 109 | 32.5 Ų | 32.5 | 57% | 0.571 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -65.8 | -39.9 | 173.6 | -72.6 | 172.2 | 0 | 0 | 0 | 112.2 | V60 S61 L62 T68 | V60-L64 HydrophobicContact CG1-CD1 4.24Å; V60-L64 WeakPolarHBondContact O-CG 3.43Å; V60-L64 PolarHBondContact O-N 3.42Å; V60-L64 VanDerWaalsContact O-N 3.09Å; S61-L64 PolarHBondContact O-N 3.01Å; L62-L64 VanDerWaalsContact C-N 3.27Å; L62-L64 PolarHBondContact O-N 2.92Å; L64-T68 WeakPolarHBondContact O-CB 3.37Å; L64-T68 PolarHBondContact O-N 3.46Å; L64-T68 PolarHBondContact O-OG1 2.92Å |
| 65 | L | 92.1 | Very high | 89.8 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 20% | 0.204 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -46.8 | 177.6 | -163.2 | 93.3 | 0 | 0 | 0 | 111.4 | S61 L62 F67 T68 L69 I101 Y105 W147 F151 | S61-L65 PolarHBondContact O-N 3.5Å; L62-L65 WeakPolarHBondContact O-CB 3.38Å; L62-L65 PolarHBondContact O-N 3.25Å; L65-F67 VanDerWaalsContact C-N 3.34Å; L65-F67 PolarHBondContact O-N 3.36Å; L65-T68 WeakPolarHBondContact O-CB 3.45Å; L65-T68 PolarHBondContact O-N 3.49Å; L65-T68 VanDerWaalsContact O-N 3.17Å; L65-L69 WeakPolarHBondContact O-CB 3.32Å; L65-L69 PolarHBondContact O-N 3.27Å; L65-I101 HydrophobicContact CD2-CD1 3.51Å; L65-I101 HydrophobicContact CG-CD1 4.23Å; L65-Y105 HydrophobicContact CD2-CE1 3.93Å; L65-W147 HydrophobicContact CD2-CE3 4.12Å; L65-W147 HydrophobicContact CD2-CH2 3.51Å; L65-W147 HydrophobicContact CD2-CZ2 4.16Å; L65-W147 HydrophobicContact CD2-CZ3 3.45Å; L65-W147 VanDerWaalsContact CD2-CZ3 3.45Å; L65-F151 HydrophobicContact CD1-CE2 4.27Å; L65-F151 HydrophobicContact CD1-CZ 4.05Å; L65-F151 HydrophobicContact CD2-CZ 4.28Å |
| 66 | D | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 177.3 | -79.6 | -44 | 0 | 0 | 0 | 111.4 | K35 V36 L62 L69 L70 Y105 | K35-D66 WeakPolarHBondContact CE-OD2 3.46Å; K35-D66 IonicContact NZ-OD1 2.81Å; K35-D66 PolarHBondContact NZ-OD1 2.99Å; K35-D66 IonicContact NZ-OD2 3.65Å; K35-D66 PolarHBondContact NZ-OD2 3.46Å; V36-D66 HydrophobicContact CG2-CB 3.82Å; V36-D66 WeakPolarHBondContact CG2-O 2.73Å; L62-D66 PolarHBondContact O-N 3.46Å; D66-L69 PolarHBondContact O-N 3.43Å; D66-L70 WeakPolarHBondContact O-CB 2.92Å; D66-L70 PolarHBondContact O-N 2.82Å; D66-Y105 PolarHBondContact OD1-OH 2.84Å; D66-Y105 PolarHBondContact OD2-OH 3.36Å |
| 67 | F | 91.9 | Very high | 89.6 | Confident | 95 Ų | 95 | 38.1 Ų | 38.1 | 42% | 0.417 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 172.2 | 179.9 | -97.3 | 0 | 0 | 0 | 111.7 | V36 A63 L65 L69 L70 M71 | V36-F67 HydrophobicContact CG1-CB 4.19Å; V36-F67 HydrophobicContact CG1-CD2 3.98Å; A63-F67 VanDerWaalsContact O-CB 3.25Å; A63-F67 WeakPolarHBondContact O-CB 3.42Å; A63-F67 PolarHBondContact O-N 2.95Å; L65-F67 VanDerWaalsContact C-N 3.34Å; L65-F67 PolarHBondContact O-N 3.36Å; F67-L69 VanDerWaalsContact C-N 3.33Å; F67-L69 PolarHBondContact O-N 2.89Å; F67-L70 PolarHBondContact O-N 3.23Å; F67-M71 HydrophobicContact CD1-CG 4.08Å; F67-M71 HydrophobicContact CE1-CG 3.65Å; F67-M71 HydrophobicContact CE1-SD 4.42Å; F67-M71 HydrophobicContact CE2-CG 4.2Å; F67-M71 HydrophobicContact CE2-SD 4.25Å; F67-M71 HydrophobicContact CZ-CG 3.71Å; F67-M71 HydrophobicContact CZ-SD 3.9Å; F67-M71 VanDerWaalsContact O-CG 3.3Å; F67-M71 WeakPolarHBondContact O-CG 3.42Å; F67-M71 PolarHBondContact O-N 3.1Å |
| 68 | T | 91.7 | Very high | 89.5 | Confident | 80 Ų | 80 | 44.8 Ų | 44.8 | 49% | 0.491 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.3 | -40.6 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | L64 L65 M71 S72 | L64-T68 WeakPolarHBondContact O-CB 3.37Å; L64-T68 PolarHBondContact O-N 3.46Å; L64-T68 PolarHBondContact O-OG1 2.92Å; L65-T68 WeakPolarHBondContact O-CB 3.45Å; L65-T68 PolarHBondContact O-N 3.49Å; L65-T68 VanDerWaalsContact O-N 3.17Å; T68-M71 PolarHBondContact O-N 3.15Å; T68-S72 WeakPolarHBondContact O-CB 3.42Å; T68-S72 PolarHBondContact O-N 2.83Å; T68-S72 PolarHBondContact O-OG 2.7Å |
| 69 | L | 90.6 | Very high | 89 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -47.4 | 174.9 | 179.7 | 63.6 | 0 | 0 | 0 | 111.1 | M32 L65 D66 F67 M71 S72 I73 F97 I101 | M32-L69 HydrophobicContact CE-CD2 3.66Å; M32-L69 HydrophobicContact CE-CG 4.23Å; L65-L69 WeakPolarHBondContact O-CB 3.32Å; L65-L69 PolarHBondContact O-N 3.27Å; D66-L69 PolarHBondContact O-N 3.43Å; F67-L69 VanDerWaalsContact C-N 3.33Å; F67-L69 PolarHBondContact O-N 2.89Å; L69-M71 VanDerWaalsContact C-N 3.34Å; L69-M71 PolarHBondContact O-N 2.86Å; L69-S72 WeakPolarHBondContact O-CB 3.39Å; L69-S72 PolarHBondContact O-N 3.22Å; L69-S72 VanDerWaalsContact O-N 3.15Å; L69-I73 HydrophobicContact CD1-CD1 4.1Å; L69-I73 HydrophobicContact CD1-CG1 4.32Å; L69-I73 HydrophobicContact CG-CD1 3.98Å; L69-I73 WeakPolarHBondContact O-CG1 3.11Å; L69-I73 PolarHBondContact O-N 3.26Å; L69-F97 HydrophobicContact CD1-CB 3.7Å; L69-I101 HydrophobicContact CD1-CG1 4.37Å; L69-I101 HydrophobicContact CD2-CB 4.14Å; L69-I101 HydrophobicContact CD2-CG1 4Å; L69-I101 HydrophobicContact CD2-CG2 3.94Å |
| 70 | L | 91.8 | Very high | 87.9 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 176.4 | 176.3 | 65 | 0 | 0 | 0 | 111.5 | L29 M32 L33 V36 D66 F67 S72 I73 A74 | L29-L70 HydrophobicContact CD1-CD1 3.66Å; L29-L70 HydrophobicContact CG-CD1 4.42Å; M32-L70 HydrophobicContact CB-CD1 3.86Å; L33-L70 HydrophobicContact CB-CD1 4.31Å; L33-L70 HydrophobicContact CB-CD2 4.31Å; V36-L70 HydrophobicContact CB-CD2 4.16Å; V36-L70 HydrophobicContact CG1-CD2 4.35Å; V36-L70 HydrophobicContact CG2-CB 4.21Å; V36-L70 HydrophobicContact CG2-CD2 4.05Å; D66-L70 WeakPolarHBondContact O-CB 2.92Å; D66-L70 PolarHBondContact O-N 2.82Å; F67-L70 PolarHBondContact O-N 3.23Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 3.08Å; L70-I73 PolarHBondContact O-N 3.02Å; L70-A74 VanDerWaalsContact O-CB 3.31Å; L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 3.31Å |
| 71 | M | 90 | Very high | 86.9 | Confident | 101 Ų | 101 | 57.5 Ų | 57.5 | 50% | 0.498 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 177.1 | -70 | -55.6 | -60.4 | 0 | 0 | 111.7 | F67 T68 L69 F75 | F67-M71 HydrophobicContact CD1-CG 4.08Å; F67-M71 HydrophobicContact CE1-CG 3.65Å; F67-M71 HydrophobicContact CE1-SD 4.42Å; F67-M71 HydrophobicContact CE2-CG 4.2Å; F67-M71 HydrophobicContact CE2-SD 4.25Å; F67-M71 HydrophobicContact CZ-CG 3.71Å; F67-M71 HydrophobicContact CZ-SD 3.9Å; F67-M71 VanDerWaalsContact O-CG 3.3Å; F67-M71 WeakPolarHBondContact O-CG 3.42Å; F67-M71 PolarHBondContact O-N 3.1Å; T68-M71 PolarHBondContact O-N 3.15Å; L69-M71 VanDerWaalsContact C-N 3.34Å; L69-M71 PolarHBondContact O-N 2.86Å; M71-F75 WeakPolarHBondContact O-CB 3.41Å; M71-F75 PolarHBondContact O-N 2.93Å |
| 72 | S | 88.3 | Confident | 86.1 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 177.7 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | T68 L69 L70 F75 I76 | T68-S72 WeakPolarHBondContact O-CB 3.42Å; T68-S72 PolarHBondContact O-N 2.83Å; T68-S72 PolarHBondContact O-OG 2.7Å; L69-S72 WeakPolarHBondContact O-CB 3.39Å; L69-S72 PolarHBondContact O-N 3.22Å; L69-S72 VanDerWaalsContact O-N 3.15Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 3.08Å; S72-F75 PolarHBondContact O-N 2.93Å; S72-I76 WeakPolarHBondContact O-CD1 3.29Å; S72-I76 VanDerWaalsContact O-CG1 3.24Å; S72-I76 WeakPolarHBondContact O-CG1 3.21Å; S72-I76 PolarHBondContact O-N 2.95Å |
| 73 | I | 86.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 176.9 | -65.1 | 171.2 | 0 | 0 | 0 | 110.3 | L28 L29 M32 L69 L70 F75 I76 L77 I94 | L28-I73 HydrophobicContact CD2-CD1 4.37Å; L29-I73 HydrophobicContact CD1-CG2 4.18Å; M32-I73 HydrophobicContact CG-CD1 4.49Å; L69-I73 HydrophobicContact CD1-CD1 4.1Å; L69-I73 HydrophobicContact CD1-CG1 4.32Å; L69-I73 HydrophobicContact CG-CD1 3.98Å; L69-I73 WeakPolarHBondContact O-CG1 3.11Å; L69-I73 PolarHBondContact O-N 3.26Å; L70-I73 PolarHBondContact O-N 3.02Å; I73-F75 VanDerWaalsContact C-N 3.28Å; I73-F75 PolarHBondContact O-N 3.45Å; I73-I76 PolarHBondContact O-N 3.12Å; I73-L77 HydrophobicContact CG2-CD1 3.91Å; I73-L77 HydrophobicContact CG2-CG 4.39Å; I73-L77 WeakPolarHBondContact O-CG 3.02Å; I73-L77 PolarHBondContact O-N 2.78Å; I73-I94 HydrophobicContact CG1-CG2 4.2Å; I73-I94 HydrophobicContact CG2-CG2 4.07Å |
| 74 | A | 88 | Confident | 84.6 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L29 L70 L77 Y78 | L29-A74 HydrophobicContact CD1-CB 4.03Å; L70-A74 VanDerWaalsContact O-CB 3.31Å; L70-A74 WeakPolarHBondContact O-CB 3.29Å; L70-A74 PolarHBondContact O-N 3.31Å; A74-L77 PolarHBondContact O-N 3.29Å; A74-Y78 VanDerWaalsContact O-CB 3.26Å; A74-Y78 WeakPolarHBondContact O-CB 3.49Å; A74-Y78 PolarHBondContact O-N 3.46Å |
| 75 | F | 87.5 | Confident | 83.6 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 40% | 0.395 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 177.2 | -168.7 | -88 | 0 | 0 | 0 | 111.7 | M71 S72 I73 Y78 F79 F82 | M71-F75 WeakPolarHBondContact O-CB 3.41Å; M71-F75 PolarHBondContact O-N 2.93Å; S72-F75 PolarHBondContact O-N 2.93Å; I73-F75 VanDerWaalsContact C-N 3.28Å; I73-F75 PolarHBondContact O-N 3.45Å; F75-Y78 PolarHBondContact O-N 3.37Å; F75-F79 AromaticContact CD1-CD2 3.81Å; F75-F79 HydrophobicContact CD1-CD2 3.81Å; F75-F79 HydrophobicContact CD1-CE2 4.4Å; F75-F79 AromaticContact CD2-CD2 3.64Å; F75-F79 HydrophobicContact CD2-CD2 3.64Å; F75-F79 AromaticContact CD2-CE2 3.43Å; F75-F79 HydrophobicContact CD2-CE2 3.43Å; F75-F79 VanDerWaalsContact CD2-CE2 3.43Å; F75-F79 AromaticContact CE1-CD2 3.63Å; F75-F79 HydrophobicContact CE1-CD2 3.63Å; F75-F79 HydrophobicContact CE1-CE2 4.1Å; F75-F79 HydrophobicContact CE1-CG 4.31Å; F75-F79 AromaticContact CE2-CD2 3.49Å; F75-F79 HydrophobicContact CE2-CD2 3.49Å; F75-F79 VanDerWaalsContact CE2-CD2 3.49Å; F75-F79 AromaticContact CE2-CE2 3.08Å; F75-F79 HydrophobicContact CE2-CE2 3.08Å; F75-F79 AromaticContact CE2-CZ 3.97Å; F75-F79 HydrophobicContact CE2-CZ 3.97Å; F75-F79 AromaticContact CG-CD2 3.81Å; F75-F79 HydrophobicContact CG-CD2 3.81Å; F75-F79 HydrophobicContact CG-CE2 4.09Å; F75-F79 AromaticContact CZ-CD2 3.46Å; F75-F79 HydrophobicContact CZ-CD2 3.46Å; F75-F79 VanDerWaalsContact CZ-CD2 3.46Å; F75-F79 AromaticContact CZ-CE2 3.45Å; F75-F79 HydrophobicContact CZ-CE2 3.45Å; F75-F79 VanDerWaalsContact CZ-CE2 3.45Å; F75-F79 HydrophobicContact CZ-CG 4.28Å; F75-F79 HydrophobicContact CZ-CZ 4.21Å; F75-F79 WeakPolarHBondContact O-CD2 3.11Å; F75-F79 PolarHBondContact O-N 3.49Å; F75-F82 HydrophobicContact CD1-CD1 4.19Å; F75-F82 AromaticContact CD1-CE1 3.43Å; F75-F82 HydrophobicContact CD1-CE1 3.43Å; F75-F82 VanDerWaalsContact CD1-CE1 3.43Å; F75-F82 HydrophobicContact CD1-CE2 4.11Å; F75-F82 AromaticContact CD1-CZ 3.39Å; F75-F82 HydrophobicContact CD1-CZ 3.39Å; F75-F82 HydrophobicContact CE1-CD1 4Å; F75-F82 AromaticContact CE1-CD2 3.99Å; F75-F82 HydrophobicContact CE1-CD2 3.99Å; F75-F82 AromaticContact CE1-CE1 3.57Å; F75-F82 HydrophobicContact CE1-CE1 3.57Å; F75-F82 AromaticContact CE1-CE2 3.57Å; F75-F82 HydrophobicContact CE1-CE2 3.57Å; F75-F82 HydrophobicContact CE1-CG 4.21Å; F75-F82 AromaticContact CE1-CZ 3.35Å; F75-F82 HydrophobicContact CE1-CZ 3.35Å |
| 76 | I | 84.9 | Confident | 82.6 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 177.2 | -61.8 | 162.6 | 0 | 0 | 0 | 111.8 | S72 I73 E80 F82 F89 H93 I94 F97 | S72-I76 WeakPolarHBondContact O-CD1 3.29Å; S72-I76 VanDerWaalsContact O-CG1 3.24Å; S72-I76 WeakPolarHBondContact O-CG1 3.21Å; S72-I76 PolarHBondContact O-N 2.95Å; I73-I76 PolarHBondContact O-N 3.12Å; I76-E80 PolarHBondContact O-N 2.96Å; I76-F82 HydrophobicContact CB-CE1 4.35Å; I76-F82 HydrophobicContact CG1-CE1 3.82Å; I76-F82 HydrophobicContact CG1-CZ 4.26Å; I76-F89 HydrophobicContact CD1-CD1 4.35Å; I76-F89 HydrophobicContact CG1-CB 4.32Å; I76-H93 HydrophobicContact CD1-CB 4.18Å; I76-I94 HydrophobicContact CB-CD1 4.13Å; I76-I94 HydrophobicContact CB-CG1 3.99Å; I76-I94 HydrophobicContact CD1-CG1 4.04Å; I76-I94 HydrophobicContact CG2-CD1 3.79Å; I76-I94 HydrophobicContact CG2-CG1 3.77Å; I76-F97 HydrophobicContact CD1-CD2 4.3Å; I76-F97 HydrophobicContact CD1-CE2 3.99Å |
| 77 | L | 82.3 | Confident | 81.7 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 20% | 0.204 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 177.1 | -69 | 175 | 0 | 0 | 0 | 112.7 | I73 A74 I94 | I73-L77 HydrophobicContact CG2-CD1 3.91Å; I73-L77 HydrophobicContact CG2-CG 4.39Å; I73-L77 WeakPolarHBondContact O-CG 3.02Å; I73-L77 PolarHBondContact O-N 2.78Å; A74-L77 PolarHBondContact O-N 3.29Å; L77-I94 HydrophobicContact CD2-CD1 3.55Å; L77-I94 HydrophobicContact CG-CD1 3.78Å |
| 78 | Y | 83.8 | Confident | 81.1 | Confident | 180 Ų | 180 | 80.6 Ų | 80.6 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -73.8 | -40.7 | -178.3 | 179.8 | -96.6 | 0 | 0 | 0 | 112.9 | A74 F75 | A74-Y78 VanDerWaalsContact O-CB 3.26Å; A74-Y78 WeakPolarHBondContact O-CB 3.49Å; A74-Y78 PolarHBondContact O-N 3.46Å; F75-Y78 PolarHBondContact O-N 3.37Å |
| 79 | F | 81 | Confident | 80.4 | Confident | 104 Ų | 104 | 78.9 Ų | 78.9 | 46% | 0.456 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -89.6 | -6.6 | -173.9 | -77.1 | -75.3 | 0 | 0 | 0 | 114.5 | F75 F82 | F75-F79 AromaticContact CD1-CD2 3.81Å; F75-F79 HydrophobicContact CD1-CD2 3.81Å; F75-F79 HydrophobicContact CD1-CE2 4.4Å; F75-F79 AromaticContact CD2-CD2 3.64Å; F75-F79 HydrophobicContact CD2-CD2 3.64Å; F75-F79 AromaticContact CD2-CE2 3.43Å; F75-F79 HydrophobicContact CD2-CE2 3.43Å; F75-F79 VanDerWaalsContact CD2-CE2 3.43Å; F75-F79 AromaticContact CE1-CD2 3.63Å; F75-F79 HydrophobicContact CE1-CD2 3.63Å; F75-F79 HydrophobicContact CE1-CE2 4.1Å; F75-F79 HydrophobicContact CE1-CG 4.31Å; F75-F79 AromaticContact CE2-CD2 3.49Å; F75-F79 HydrophobicContact CE2-CD2 3.49Å; F75-F79 VanDerWaalsContact CE2-CD2 3.49Å; F75-F79 AromaticContact CE2-CE2 3.08Å; F75-F79 HydrophobicContact CE2-CE2 3.08Å; F75-F79 AromaticContact CE2-CZ 3.97Å; F75-F79 HydrophobicContact CE2-CZ 3.97Å; F75-F79 AromaticContact CG-CD2 3.81Å; F75-F79 HydrophobicContact CG-CD2 3.81Å; F75-F79 HydrophobicContact CG-CE2 4.09Å; F75-F79 AromaticContact CZ-CD2 3.46Å; F75-F79 HydrophobicContact CZ-CD2 3.46Å; F75-F79 VanDerWaalsContact CZ-CD2 3.46Å; F75-F79 AromaticContact CZ-CE2 3.45Å; F75-F79 HydrophobicContact CZ-CE2 3.45Å; F75-F79 VanDerWaalsContact CZ-CE2 3.45Å; F75-F79 HydrophobicContact CZ-CG 4.28Å; F75-F79 HydrophobicContact CZ-CZ 4.21Å; F75-F79 WeakPolarHBondContact O-CD2 3.11Å; F75-F79 PolarHBondContact O-N 3.49Å; F79-F82 HydrophobicContact CB-CB 4.22Å; F79-F82 HydrophobicContact CB-CD1 3.76Å; F79-F82 HydrophobicContact CB-CG 4.25Å |
| 80 | E | 67.2 | Low | 79.9 | Confident | 154 Ų | 154 | 80 Ų | 80 | 72% | 0.72 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 37 | 94.2 | 178.3 | -65.9 | -175.6 | -177.8 | 0 | 0 | 113.4 | I76 | I76-E80 PolarHBondContact O-N 2.96Š|
| 81 | D | 67.6 | Low | 79 | Confident | 78 Ų | 78 | 84.2 Ų | 84.2 | 42% | 0.417 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 64.6 | 63.3 | 175.7 | -89.4 | 13.5 | 0 | 0 | 0 | 115.5 | R88 F89 T90 | D81-R88 IonicContact OD2-CZ 3.79Å; D81-R88 IonicContact OD2-NE 2.89Å; D81-R88 IonicContact OD2-NH2 2.75Å; D81-R88 PolarHBondContact OD2-NH2 3.5Å; D81-F89 WeakPolarHBondContact CA-O 3.5Å; D81-T90 WeakPolarHBondContact OD1-CA 3.28Å; D81-T90 WeakPolarHBondContact OD1-CB 3.27Å; D81-T90 VanDerWaalsContact OD1-CG2 3.3Å; D81-T90 WeakPolarHBondContact OD1-CG2 3.45Å |
| 82 | F | 76.5 | Confident | 78.3 | Confident | 35 Ų | 35 | 84.5 Ų | 84.5 | 15% | 0.154 | 42% | 0.422 | C | S | . | . | trans | -98.3 | 151.6 | 177 | 73.2 | -86 | 0 | 0 | 0 | 113.2 | F75 I76 F79 L84 F89 | F75-F82 HydrophobicContact CD1-CD1 4.19Å; F75-F82 AromaticContact CD1-CE1 3.43Å; F75-F82 HydrophobicContact CD1-CE1 3.43Å; F75-F82 VanDerWaalsContact CD1-CE1 3.43Å; F75-F82 HydrophobicContact CD1-CE2 4.11Å; F75-F82 AromaticContact CD1-CZ 3.39Å; F75-F82 HydrophobicContact CD1-CZ 3.39Å; F75-F82 HydrophobicContact CE1-CD1 4Å; F75-F82 AromaticContact CE1-CD2 3.99Å; F75-F82 HydrophobicContact CE1-CD2 3.99Å; F75-F82 AromaticContact CE1-CE1 3.57Å; F75-F82 HydrophobicContact CE1-CE1 3.57Å; F75-F82 AromaticContact CE1-CE2 3.57Å; F75-F82 HydrophobicContact CE1-CE2 3.57Å; F75-F82 HydrophobicContact CE1-CG 4.21Å; F75-F82 AromaticContact CE1-CZ 3.35Å; F75-F82 HydrophobicContact CE1-CZ 3.35Å; I76-F82 HydrophobicContact CB-CE1 4.35Å; I76-F82 HydrophobicContact CG1-CE1 3.82Å; I76-F82 HydrophobicContact CG1-CZ 4.26Å; F79-F82 HydrophobicContact CB-CB 4.22Å; F79-F82 HydrophobicContact CB-CD1 3.76Å; F79-F82 HydrophobicContact CB-CG 4.25Å; F82-L84 HydrophobicContact CD2-CB 4.03Å; F82-L84 HydrophobicContact CD2-CD1 4.43Å; F82-L84 HydrophobicContact CE2-CB 3.8Å; F82-L84 HydrophobicContact CE2-CD1 3.98Å; F82-F89 HydrophobicContact CD1-CB 4.17Å; F82-F89 HydrophobicContact CD2-CD2 4.2Å; F82-F89 HydrophobicContact CE1-CB 3.64Å; F82-F89 HydrophobicContact CE1-CG 4.23Å; F82-F89 HydrophobicContact CE2-CB 4.02Å; F82-F89 AromaticContact CE2-CD2 3.45Å; F82-F89 HydrophobicContact CE2-CD2 3.45Å; F82-F89 VanDerWaalsContact CE2-CD2 3.45Å; F82-F89 HydrophobicContact CE2-CE2 4.2Å; F82-F89 AromaticContact CE2-CG 3.91Å; F82-F89 HydrophobicContact CE2-CG 3.91Å; F82-F89 HydrophobicContact CZ-CB 3.54Å; F82-F89 HydrophobicContact CZ-CD1 4.43Å; F82-F89 AromaticContact CZ-CD2 3.68Å; F82-F89 HydrophobicContact CZ-CD2 3.68Å; F82-F89 AromaticContact CZ-CG 3.61Å; F82-F89 HydrophobicContact CZ-CG 3.61Å; F82-F89 PolarHBondContact N-O 3.31Å; F82-F89 PolarHBondContact O-N 2.89Å | ||
| 83 | A | 76 | Confident | 78 | Confident | 79 Ų | 79 | 84 Ų | 84 | 65% | 0.653 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V87 | A83-V87 CarbonylContact C-O 3.58Å; A83-V87 WeakPolarHBondContact CA-O 3.27Å |
| 84 | L | 74.2 | Confident | 77.7 | Confident | 82 Ų | 82 | 84.1 Ų | 84.1 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.8 | 178 | -159 | 145.9 | 0 | 0 | 0 | 108.6 | F82 G86 V87 F89 | F82-L84 HydrophobicContact CD2-CB 4.03Å; F82-L84 HydrophobicContact CD2-CD1 4.43Å; F82-L84 HydrophobicContact CE2-CB 3.8Å; F82-L84 HydrophobicContact CE2-CD1 3.98Å; L84-G86 PolarHBondContact O-N 2.87Å; L84-V87 PolarHBondContact N-O 3.35Å; L84-V87 PolarHBondContact O-N 3.42Å; L84-V87 VanDerWaalsContact O-N 3.07Å; L84-F89 HydrophobicContact CB-CD2 4.27Å; L84-F89 HydrophobicContact CB-CE2 4.01Å |
| 85 | W | 72 | Confident | 77.3 | Confident | 249 Ų | 249 | 83.6 Ų | 83.6 | 94% | 0.943 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.2 | -174.7 | -69.3 | -4.4 | 0 | 0 | 0 | 114.6 | V87 | W85-V87 PolarHBondContact O-N 3.29Š|
| 86 | G | 70.6 | Confident | 76.9 | Confident | 80 Ų | 80 | 81.3 Ų | 81.3 | 83% | 0.825 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | -0.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L84 | L84-G86 PolarHBondContact O-N 2.87Š|
| 87 | V | 74 | Confident | 76.9 | Confident | 74 Ų | 74 | 84 Ų | 84 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.2 | 171.4 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | A83 L84 W85 F89 | A83-V87 CarbonylContact C-O 3.58Å; A83-V87 WeakPolarHBondContact CA-O 3.27Å; L84-V87 PolarHBondContact N-O 3.35Å; L84-V87 PolarHBondContact O-N 3.42Å; L84-V87 VanDerWaalsContact O-N 3.07Å; W85-V87 PolarHBondContact O-N 3.29Å; V87-F89 HydrophobicContact CB-CE2 4.23Å; V87-F89 HydrophobicContact CG1-CE2 4.21Å; V87-F89 HydrophobicContact CG1-CZ 4.33Å |
| 88 | R | 78.1 | Confident | 76.9 | Confident | 156 Ų | 156 | 82.6 Ų | 82.6 | 59% | 0.589 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 114.6 | 176.5 | -170.9 | 174.5 | 174.1 | 171.4 | -4.2 | 109.4 | D81 T90 H93 | D81-R88 IonicContact OD2-CZ 3.79Å; D81-R88 IonicContact OD2-NE 2.89Å; D81-R88 IonicContact OD2-NH2 2.75Å; D81-R88 PolarHBondContact OD2-NH2 3.5Å; R88-T90 HydrophobicContact CG-CG2 4.03Å; R88-H93 PolarHBondContact O-CE1 2.9Å |
| 89 | F | 78.1 | Confident | 76.7 | Confident | 43 Ų | 43 | 75.1 Ų | 75.1 | 19% | 0.189 | 38% | 0.377 | C | S | . | . | trans | -85.8 | 130.1 | 175 | -70.5 | -88.4 | 0 | 0 | 0 | 109.2 | I76 D81 F82 L84 V87 H93 F97 | I76-F89 HydrophobicContact CD1-CD1 4.35Å; I76-F89 HydrophobicContact CG1-CB 4.32Å; D81-F89 WeakPolarHBondContact CA-O 3.5Å; F82-F89 HydrophobicContact CD1-CB 4.17Å; F82-F89 HydrophobicContact CD2-CD2 4.2Å; F82-F89 HydrophobicContact CE1-CB 3.64Å; F82-F89 HydrophobicContact CE1-CG 4.23Å; F82-F89 HydrophobicContact CE2-CB 4.02Å; F82-F89 AromaticContact CE2-CD2 3.45Å; F82-F89 HydrophobicContact CE2-CD2 3.45Å; F82-F89 VanDerWaalsContact CE2-CD2 3.45Å; F82-F89 HydrophobicContact CE2-CE2 4.2Å; F82-F89 AromaticContact CE2-CG 3.91Å; F82-F89 HydrophobicContact CE2-CG 3.91Å; F82-F89 HydrophobicContact CZ-CB 3.54Å; F82-F89 HydrophobicContact CZ-CD1 4.43Å; F82-F89 AromaticContact CZ-CD2 3.68Å; F82-F89 HydrophobicContact CZ-CD2 3.68Å; F82-F89 AromaticContact CZ-CG 3.61Å; F82-F89 HydrophobicContact CZ-CG 3.61Å; F82-F89 PolarHBondContact N-O 3.31Å; F82-F89 PolarHBondContact O-N 2.89Å; L84-F89 HydrophobicContact CB-CD2 4.27Å; L84-F89 HydrophobicContact CB-CE2 4.01Å; V87-F89 HydrophobicContact CB-CE2 4.23Å; V87-F89 HydrophobicContact CG1-CE2 4.21Å; V87-F89 HydrophobicContact CG1-CZ 4.33Å; F89-H93 HydrophobicContact CD1-CB 4.09Å; F89-H93 AromaticContact CD1-CD2 3.81Å; F89-H93 AromaticContact CD1-CG 3.9Å; F89-F97 HydrophobicContact CE1-CE2 4.45Å; F89-F97 HydrophobicContact CE1-CZ 4.06Å | ||
| 90 | T | 79.3 | Confident | 76.8 | Confident | 34 Ų | 34 | 71 Ų | 71 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | trans | -139.9 | 176.5 | -176.2 | 66.2 | 0 | 0 | 0 | 0 | 108.7 | D81 R88 Y92 H93 | D81-T90 WeakPolarHBondContact OD1-CA 3.28Å; D81-T90 WeakPolarHBondContact OD1-CB 3.27Å; D81-T90 VanDerWaalsContact OD1-CG2 3.3Å; D81-T90 WeakPolarHBondContact OD1-CG2 3.45Å; R88-T90 HydrophobicContact CG-CG2 4.03Å; T90-Y92 PolarHBondContact O-N 2.93Å; T90-Y92 WeakPolarHBondContact OG1-CB 3.18Å; T90-Y92 PolarHBondContact OG1-N 3.05Å; T90-H93 PolarHBondContact N-ND1 2.88Å; T90-H93 WeakPolarHBondContact O-CB 3.19Å; T90-H93 PolarHBondContact O-N 3.38Å | ||
| 91 | E | 74 | Confident | 77.7 | Confident | 108 Ų | 108 | 64.3 Ų | 64.3 | 51% | 0.505 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -51.2 | -30 | 174 | -63.2 | -176.5 | 163.5 | 0 | 0 | 113.3 | H93 I94 C95 | E91-H93 PolarHBondContact O-N 3.27Å; E91-I94 WeakPolarHBondContact O-CB 3.44Å; E91-I94 PolarHBondContact O-N 3.37Å; E91-I94 VanDerWaalsContact O-N 3.16Å; E91-C95 PolarHBondContact O-N 2.94Å |
| 92 | Y | 75.4 | Confident | 78.4 | Confident | 107 Ų | 107 | 60.7 Ų | 60.7 | 42% | 0.42 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.9 | -38.1 | 173.5 | 174.5 | -97.7 | 0 | 0 | 0 | 112.9 | T90 C95 L96 L164 | T90-Y92 PolarHBondContact O-N 2.93Å; T90-Y92 WeakPolarHBondContact OG1-CB 3.18Å; T90-Y92 PolarHBondContact OG1-N 3.05Å; Y92-C95 PolarHBondContact O-N 3.1Å; Y92-L96 HydrophobicContact CE1-CD2 4.2Å; Y92-L96 WeakPolarHBondContact O-CB 3.34Å; Y92-L96 PolarHBondContact O-N 3.21Å; Y92-L164 HydrophobicContact CE2-CD1 4.48Å; Y92-L164 HydrophobicContact CE2-CD2 3.54Å; Y92-L164 HydrophobicContact CE2-CG 4.12Å; Y92-L164 WeakPolarHBondContact OH-CD2 3.22Å |
| 93 | H | 80.8 | Confident | 78.6 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 14% | 0.139 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73.3 | -31.5 | -178.1 | -68.1 | 77.7 | 0 | 0 | 0 | 112.1 | I76 R88 F89 T90 E91 C95 L96 F97 | I76-H93 HydrophobicContact CD1-CB 4.18Å; R88-H93 PolarHBondContact O-CE1 2.9Å; F89-H93 HydrophobicContact CD1-CB 4.09Å; F89-H93 AromaticContact CD1-CD2 3.81Å; F89-H93 AromaticContact CD1-CG 3.9Å; T90-H93 PolarHBondContact N-ND1 2.88Å; T90-H93 WeakPolarHBondContact O-CB 3.19Å; T90-H93 PolarHBondContact O-N 3.38Å; E91-H93 PolarHBondContact O-N 3.27Å; H93-C95 PolarHBondContact O-N 3.33Å; H93-L96 PolarHBondContact O-N 3.26Å; H93-F97 HydrophobicContact CB-CE2 4.32Å; H93-F97 WeakPolarHBondContact O-CB 3.29Å; H93-F97 WeakPolarHBondContact O-CD2 3.17Å; H93-F97 WeakPolarHBondContact O-CG 3.42Å; H93-F97 PolarHBondContact O-N 3.32Å |
| 94 | I | 80.9 | Confident | 79.1 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 171.9 | -63 | 175.9 | 0 | 0 | 0 | 109.3 | L28 I73 I76 L77 E91 T98 | L28-I94 HydrophobicContact CD2-CG2 3.91Å; I73-I94 HydrophobicContact CG1-CG2 4.2Å; I73-I94 HydrophobicContact CG2-CG2 4.07Å; I76-I94 HydrophobicContact CB-CD1 4.13Å; I76-I94 HydrophobicContact CB-CG1 3.99Å; I76-I94 HydrophobicContact CD1-CG1 4.04Å; I76-I94 HydrophobicContact CG2-CD1 3.79Å; I76-I94 HydrophobicContact CG2-CG1 3.77Å; L77-I94 HydrophobicContact CD2-CD1 3.55Å; L77-I94 HydrophobicContact CG-CD1 3.78Å; E91-I94 WeakPolarHBondContact O-CB 3.44Å; E91-I94 PolarHBondContact O-N 3.37Å; E91-I94 VanDerWaalsContact O-N 3.16Å; I94-T98 WeakPolarHBondContact O-CB 3.38Å; I94-T98 PolarHBondContact O-N 3.43Å; I94-T98 PolarHBondContact O-OG1 3.21Å |
| 95 | C | 78.3 | Confident | 79.7 | Confident | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.4 | -41.6 | -178.7 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | E91 Y92 H93 F97 T98 Q99 C175 | E91-C95 PolarHBondContact O-N 2.94Å; Y92-C95 PolarHBondContact O-N 3.1Å; H93-C95 PolarHBondContact O-N 3.33Å; C95-F97 PolarHBondContact O-N 3.3Å; C95-T98 PolarHBondContact O-N 3Å; C95-Q99 VanDerWaalsContact O-CB 3.3Å; C95-Q99 WeakPolarHBondContact O-CB 3.42Å; C95-Q99 PolarHBondContact O-N 2.86Å; C95-C175 HydrophobicContact CB-CB 3.58Å; C95-C175 WeakPolarHBondContact CB-SG 3.3Å; C95-C175 WeakPolarHBondContact SG-CB 3.49Å; C95-C175 CovalentContact SG-SG 1.98Å; C95-C175 PolarHBondContact SG-SG 3.47Å |
| 96 | L | 80.4 | Confident | 80 | Confident | 41 Ų | 41 | 41.2 Ų | 41.2 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 174.6 | -177.3 | 66.9 | 0 | 0 | 0 | 111.5 | Y92 H93 T98 Q99 V100 I160 L164 | Y92-L96 HydrophobicContact CE1-CD2 4.2Å; Y92-L96 WeakPolarHBondContact O-CB 3.34Å; Y92-L96 PolarHBondContact O-N 3.21Å; H93-L96 PolarHBondContact O-N 3.26Å; L96-T98 PolarHBondContact O-N 3.32Å; L96-Q99 PolarHBondContact O-N 2.77Å; L96-V100 HydrophobicContact CD1-CG2 4.33Å; L96-V100 HydrophobicContact CG-CG2 4.49Å; L96-V100 WeakPolarHBondContact O-CB 3.45Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.31Å; L96-V100 PolarHBondContact O-N 3.48Å; L96-I160 HydrophobicContact CD1-CG2 4.35Å; L96-L164 HydrophobicContact CD1-CD2 4.38Å |
| 97 | F | 84.9 | Confident | 80.6 | Confident | 65 Ų | 65 | 40.7 Ų | 40.7 | 29% | 0.285 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 178.3 | -65.9 | -30.5 | 0 | 0 | 0 | 111.9 | L69 I76 F89 H93 C95 Q99 V100 I101 | L69-F97 HydrophobicContact CD1-CB 3.7Å; I76-F97 HydrophobicContact CD1-CD2 4.3Å; I76-F97 HydrophobicContact CD1-CE2 3.99Å; F89-F97 HydrophobicContact CE1-CE2 4.45Å; F89-F97 HydrophobicContact CE1-CZ 4.06Å; H93-F97 HydrophobicContact CB-CE2 4.32Å; H93-F97 WeakPolarHBondContact O-CB 3.29Å; H93-F97 WeakPolarHBondContact O-CD2 3.17Å; H93-F97 WeakPolarHBondContact O-CG 3.42Å; H93-F97 PolarHBondContact O-N 3.32Å; C95-F97 PolarHBondContact O-N 3.3Å; F97-Q99 VanDerWaalsContact C-N 3.32Å; F97-Q99 PolarHBondContact O-N 3.41Å; F97-V100 PolarHBondContact O-N 3.48Å; F97-I101 VanDerWaalsContact O-CB 3.31Å; F97-I101 WeakPolarHBondContact O-CB 3.21Å; F97-I101 WeakPolarHBondContact O-CG1 3.22Å; F97-I101 PolarHBondContact O-N 2.86Å |
| 98 | T | 81.4 | Confident | 81.3 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 177.8 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | L28 I94 C95 L96 S102 Y272 | L28-T98 HydrophobicContact CD1-CG2 4.39Å; I94-T98 WeakPolarHBondContact O-CB 3.38Å; I94-T98 PolarHBondContact O-N 3.43Å; I94-T98 PolarHBondContact O-OG1 3.21Å; C95-T98 PolarHBondContact O-N 3Å; L96-T98 PolarHBondContact O-N 3.32Å; T98-S102 VanDerWaalsContact O-CB 3.23Å; T98-S102 WeakPolarHBondContact O-CB 3.42Å; T98-S102 PolarHBondContact O-N 3.39Å; T98-S102 PolarHBondContact O-OG 2.72Å; T98-Y272 HydrophobicContact CG2-CD1 3.7Å; T98-Y272 HydrophobicContact CG2-CE1 4.37Å; T98-Y272 HydrophobicContact CG2-CG 4.09Å |
| 99 | Q | 80.3 | Confident | 81.6 | Confident | 23 Ų | 23 | 30.2 Ų | 30.2 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.8 | -45.5 | 178.7 | -172.8 | 178.8 | 4.9 | 0 | 0 | 112.2 | C95 L96 F97 I101 S102 L103 | C95-Q99 VanDerWaalsContact O-CB 3.3Å; C95-Q99 WeakPolarHBondContact O-CB 3.42Å; C95-Q99 PolarHBondContact O-N 2.86Å; L96-Q99 PolarHBondContact O-N 2.77Å; F97-Q99 VanDerWaalsContact C-N 3.32Å; F97-Q99 PolarHBondContact O-N 3.41Å; Q99-I101 VanDerWaalsContact C-N 3.3Å; Q99-I101 PolarHBondContact O-N 3.43Å; Q99-S102 WeakPolarHBondContact O-CB 3.23Å; Q99-S102 PolarHBondContact O-N 3.26Å; Q99-L103 HydrophobicContact CG-CD1 4.24Å; Q99-L103 WeakPolarHBondContact O-CG 3.2Å; Q99-L103 PolarHBondContact O-N 3.11Å |
| 100 | V | 83 | Confident | 81.9 | Confident | 18 Ų | 18 | 34.9 Ų | 34.9 | 11% | 0.109 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 176.2 | 168.7 | 0 | 0 | 0 | 0 | 110.1 | L96 F97 L103 T104 F151 I154 | L96-V100 HydrophobicContact CD1-CG2 4.33Å; L96-V100 HydrophobicContact CG-CG2 4.49Å; L96-V100 WeakPolarHBondContact O-CB 3.45Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.31Å; L96-V100 PolarHBondContact O-N 3.48Å; F97-V100 PolarHBondContact O-N 3.48Å; V100-L103 PolarHBondContact O-N 2.86Å; V100-T104 VanDerWaalsContact O-CB 3.22Å; V100-T104 WeakPolarHBondContact O-CB 3.35Å; V100-T104 PolarHBondContact O-N 3.02Å; V100-T104 PolarHBondContact O-OG1 3.19Å; V100-F151 HydrophobicContact CG1-CD1 4.12Å; V100-F151 HydrophobicContact CG1-CE1 4.18Å; V100-I154 HydrophobicContact CG1-CG2 4.28Å |
| 101 | I | 86.1 | Confident | 82.4 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 179.2 | -70 | -74.9 | 0 | 0 | 0 | 111.4 | L65 L69 F97 Q99 L103 T104 Y105 F151 | L65-I101 HydrophobicContact CD2-CD1 3.51Å; L65-I101 HydrophobicContact CG-CD1 4.23Å; L69-I101 HydrophobicContact CD1-CG1 4.37Å; L69-I101 HydrophobicContact CD2-CB 4.14Å; L69-I101 HydrophobicContact CD2-CG1 4Å; L69-I101 HydrophobicContact CD2-CG2 3.94Å; F97-I101 VanDerWaalsContact O-CB 3.31Å; F97-I101 WeakPolarHBondContact O-CB 3.21Å; F97-I101 WeakPolarHBondContact O-CG1 3.22Å; F97-I101 PolarHBondContact O-N 2.86Å; Q99-I101 VanDerWaalsContact C-N 3.3Å; Q99-I101 PolarHBondContact O-N 3.43Å; I101-L103 PolarHBondContact O-N 2.54Å; I101-T104 WeakPolarHBondContact O-CB 3.19Å; I101-T104 PolarHBondContact O-N 3.19Å; I101-Y105 HydrophobicContact CG2-CD1 4.26Å; I101-Y105 HydrophobicContact CG2-CD2 3.79Å; I101-Y105 HydrophobicContact CG2-CE1 3.79Å; I101-Y105 HydrophobicContact CG2-CE2 3.26Å; I101-Y105 HydrophobicContact CG2-CG 4.27Å; I101-Y105 WeakPolarHBondContact O-CB 3.49Å; I101-Y105 VanDerWaalsContact O-CG 3.32Å; I101-Y105 PolarHBondContact O-N 3.21Å; I101-F151 HydrophobicContact CD1-CE1 4.06Å; I101-F151 HydrophobicContact CD1-CZ 4.1Å |
| 102 | S | 82.2 | Confident | 83.2 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.8 | -49 | 175.2 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | T98 Q99 G106 Y272 | T98-S102 VanDerWaalsContact O-CB 3.23Å; T98-S102 WeakPolarHBondContact O-CB 3.42Å; T98-S102 PolarHBondContact O-N 3.39Å; T98-S102 PolarHBondContact O-OG 2.72Å; Q99-S102 WeakPolarHBondContact O-CB 3.23Å; Q99-S102 PolarHBondContact O-N 3.26Å; S102-G106 PolarHBondContact O-N 3.2Å; S102-G106 VanDerWaalsContact O-N 3.1Å; S102-Y272 WeakPolarHBondContact OG-CB 3.43Å; S102-Y272 PolarHBondContact OG-N 3.21Å; S102-Y272 VanDerWaalsContact OG-N 3.14Å |
| 103 | L | 80.4 | Confident | 83.8 | Confident | 34 Ų | 34 | 27.4 Ų | 27.4 | 18% | 0.178 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.7 | -38.9 | 179.1 | -68 | 169.3 | 0 | 0 | 0 | 112 | Q99 V100 I101 G106 I107 I154 I160 Y178 | Q99-L103 HydrophobicContact CG-CD1 4.24Å; Q99-L103 WeakPolarHBondContact O-CG 3.2Å; Q99-L103 PolarHBondContact O-N 3.11Å; V100-L103 PolarHBondContact O-N 2.86Å; I101-L103 PolarHBondContact O-N 2.54Å; L103-G106 PolarHBondContact O-N 3.22Å; L103-I107 PolarHBondContact O-N 3.12Å; L103-I154 HydrophobicContact CB-CD1 3.73Å; L103-I154 HydrophobicContact CB-CG1 4.27Å; L103-I154 HydrophobicContact CB-CG2 4.12Å; L103-I154 HydrophobicContact CD1-CG2 4.42Å; L103-I160 HydrophobicContact CD1-CD1 3.97Å; L103-I160 HydrophobicContact CD1-CG1 3.7Å; L103-Y178 HydrophobicContact CD2-CD1 4.1Å; L103-Y178 HydrophobicContact CD2-CD2 4.31Å; L103-Y178 HydrophobicContact CD2-CE1 4.08Å; L103-Y178 HydrophobicContact CD2-CE2 4.3Å; L103-Y178 HydrophobicContact CD2-CG 4.23Å |
| 104 | T | 86.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -51.5 | 176.3 | -60.8 | 0 | 0 | 0 | 0 | 109.6 | V100 I101 G106 I107 L108 W147 F151 | V100-T104 VanDerWaalsContact O-CB 3.22Å; V100-T104 WeakPolarHBondContact O-CB 3.35Å; V100-T104 PolarHBondContact O-N 3.02Å; V100-T104 PolarHBondContact O-OG1 3.19Å; I101-T104 WeakPolarHBondContact O-CB 3.19Å; I101-T104 PolarHBondContact O-N 3.19Å; T104-G106 VanDerWaalsContact C-N 3.33Å; T104-G106 PolarHBondContact O-N 3.35Å; T104-I107 PolarHBondContact O-N 3.4Å; T104-L108 HydrophobicContact CG2-CD1 3.41Å; T104-L108 VanDerWaalsContact CG2-CD1 3.41Å; T104-L108 WeakPolarHBondContact O-CB 3.34Å; T104-L108 WeakPolarHBondContact O-CD1 3.29Å; T104-L108 PolarHBondContact O-N 3.27Å; T104-W147 HydrophobicContact CG2-CE3 4.16Å; T104-W147 HydrophobicContact CG2-CZ3 3.78Å; T104-F151 HydrophobicContact CG2-CD1 4.22Å; T104-F151 HydrophobicContact CG2-CE1 4Å; T104-F151 HydrophobicContact CG2-CZ 4.37Å |
| 105 | Y | 86.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.3 | -43.6 | 176.8 | -69.5 | -6.8 | 0 | 0 | 0 | 112.4 | L62 L65 D66 I101 I107 L108 H109 W147 Y272 M275 | L62-Y105 HydrophobicContact CD1-CD1 4.39Å; L62-Y105 HydrophobicContact CD1-CE1 3.61Å; L65-Y105 HydrophobicContact CD2-CE1 3.93Å; D66-Y105 PolarHBondContact OD1-OH 2.84Å; D66-Y105 PolarHBondContact OD2-OH 3.36Å; I101-Y105 HydrophobicContact CG2-CD1 4.26Å; I101-Y105 HydrophobicContact CG2-CD2 3.79Å; I101-Y105 HydrophobicContact CG2-CE1 3.79Å; I101-Y105 HydrophobicContact CG2-CE2 3.26Å; I101-Y105 HydrophobicContact CG2-CG 4.27Å; I101-Y105 WeakPolarHBondContact O-CB 3.49Å; I101-Y105 VanDerWaalsContact O-CG 3.32Å; I101-Y105 PolarHBondContact O-N 3.21Å; Y105-I107 PolarHBondContact O-N 3.44Å; Y105-L108 PolarHBondContact O-N 3.19Å; Y105-H109 PolarHBondContact O-CE1 3.34Å; Y105-H109 PolarHBondContact O-ND1 3.44Å; Y105-W147 HydrophobicContact CD1-CH2 4.2Å; Y105-W147 HydrophobicContact CD1-CZ3 4.43Å; Y105-W147 AromaticContact CE1-CH2 3.69Å; Y105-W147 HydrophobicContact CE1-CH2 3.69Å; Y105-W147 HydrophobicContact CE1-CZ3 4.06Å; Y105-Y272 WeakPolarHBondContact CE2-O 3.49Å; Y105-M275 HydrophobicContact CD1-CB 4.2Å; Y105-M275 HydrophobicContact CD1-SD 4.31Å; Y105-M275 HydrophobicContact CD2-CB 4.07Å; Y105-M275 HydrophobicContact CG-CB 3.75Å |
| 106 | G | 79.3 | Confident | 85.1 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -50.7 | -53.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S102 L103 T104 H109 Q182 | S102-G106 PolarHBondContact O-N 3.2Å; S102-G106 VanDerWaalsContact O-N 3.1Å; L103-G106 PolarHBondContact O-N 3.22Å; T104-G106 VanDerWaalsContact C-N 3.33Å; T104-G106 PolarHBondContact O-N 3.35Å; G106-H109 PolarHBondContact O-ND1 2.87Å; G106-H109 VanDerWaalsContact O-ND1 3.09Å; G106-Q182 VanDerWaalsContact O-CD 3.3Å; G106-Q182 PolarHBondContact O-NE2 3.36Å; G106-Q182 PolarHBondContact O-OE1 3.43Å; G106-Q182 VanDerWaalsContact O-OE1 3.12Å |
| 107 | I | 83.3 | Confident | 85.3 | Confident | 69 Ų | 69 | 33 Ų | 33 | 35% | 0.354 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -74 | -35 | -176.4 | -60.1 | -173.8 | 0 | 0 | 0 | 112.7 | L103 T104 Y105 H109 Y110 P111 I154 | L103-I107 PolarHBondContact O-N 3.12Å; T104-I107 PolarHBondContact O-N 3.4Å; Y105-I107 PolarHBondContact O-N 3.44Å; I107-H109 PolarHBondContact O-N 2.84Å; I107-H109 VanDerWaalsContact O-N 3.16Å; I107-Y110 PolarHBondContact O-N 2.98Å; I107-P111 WeakPolarHBondContact O-CD 3.27Å; I107-I154 HydrophobicContact CD1-CD1 3.31Å; I107-I154 HydrophobicContact CD1-CG1 4.33Å; I107-I154 HydrophobicContact CG1-CD1 4.12Å |
| 108 | L | 87.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -20.6 | -172.8 | -98.4 | 78.6 | 0 | 0 | 0 | 114.4 | F58 T104 Y105 Y110 P111 V112 I146 W147 M275 | F58-L108 HydrophobicContact CE2-CD2 4.05Å; F58-L108 HydrophobicContact CZ-CD2 3.81Å; T104-L108 HydrophobicContact CG2-CD1 3.41Å; T104-L108 VanDerWaalsContact CG2-CD1 3.41Å; T104-L108 WeakPolarHBondContact O-CB 3.34Å; T104-L108 WeakPolarHBondContact O-CD1 3.29Å; T104-L108 PolarHBondContact O-N 3.27Å; Y105-L108 PolarHBondContact O-N 3.19Å; L108-Y110 VanDerWaalsContact C-N 3.27Å; L108-Y110 PolarHBondContact O-N 3.43Å; L108-P111 VanDerWaalsContact O-CD 3.22Å; L108-P111 WeakPolarHBondContact O-CD 3.4Å; L108-P111 WeakPolarHBondContact O-CG 3.15Å; L108-V112 VanDerWaalsContact O-CB 3.31Å; L108-V112 WeakPolarHBondContact O-CB 3.29Å; L108-V112 WeakPolarHBondContact O-CG2 3.26Å; L108-V112 PolarHBondContact O-N 3.44Å; L108-V112 VanDerWaalsContact O-N 3.12Å; L108-I146 HydrophobicContact CD2-CG2 3.91Å; L108-I146 HydrophobicContact CG-CG2 4.05Å; L108-W147 HydrophobicContact CD2-CD2 4.02Å; L108-W147 HydrophobicContact CD2-CE3 3.69Å; L108-W147 HydrophobicContact CD2-CH2 3.72Å; L108-W147 HydrophobicContact CD2-CZ2 4.12Å; L108-W147 HydrophobicContact CD2-CZ3 3.54Å; L108-M275 HydrophobicContact CB-CE 4.21Å; L108-M275 HydrophobicContact CB-SD 4.07Å |
| 109 | H | 85.1 | Confident | 85.6 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -51.1 | -47.1 | 175.9 | -67.8 | 104.5 | 0 | 0 | 0 | 112.2 | Y105 G106 I107 Y113 | Y105-H109 PolarHBondContact O-CE1 3.34Å; Y105-H109 PolarHBondContact O-ND1 3.44Å; G106-H109 PolarHBondContact O-ND1 2.87Å; G106-H109 VanDerWaalsContact O-ND1 3.09Å; I107-H109 PolarHBondContact O-N 2.84Å; I107-H109 VanDerWaalsContact O-N 3.16Å; H109-Y113 HydrophobicContact CB-CD2 4.44Å; H109-Y113 HydrophobicContact CB-CE2 3.94Å; H109-Y113 AromaticContact CD2-CZ 3.89Å; H109-Y113 PolarHBondContact CD2-OH 3.03Å; H109-Y113 WeakPolarHBondContact O-CB 3.46Å; H109-Y113 WeakPolarHBondContact O-CD1 3.42Å; H109-Y113 WeakPolarHBondContact O-CD2 2.93Å; H109-Y113 PolarHBondContact O-N 3.49Å |
| 110 | Y | 84.8 | Confident | 85.5 | Confident | 142 Ų | 142 | 34.1 Ų | 34.1 | 56% | 0.557 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -64.2 | -55.9 | -176.2 | -57.2 | -74.3 | 0 | 0 | 0 | 114.1 | I107 L108 V112 Y113 L114 Q182 | I107-Y110 PolarHBondContact O-N 2.98Å; L108-Y110 VanDerWaalsContact C-N 3.27Å; L108-Y110 PolarHBondContact O-N 3.43Å; Y110-V112 VanDerWaalsContact C-N 3.32Å; Y110-V112 PolarHBondContact O-N 3.21Å; Y110-Y113 PolarHBondContact O-N 3.05Å; Y110-L114 WeakPolarHBondContact O-CB 3.43Å; Y110-L114 PolarHBondContact O-N 2.92Å; Y110-Q182 VanDerWaalsContact CZ-NE2 3.27Å; Y110-Q182 PolarHBondContact OH-NE2 2.87Å |
| 111 | P | 89.9 | Confident | 85.1 | Confident | 50 Ų | 50 | 40.1 Ų | 40.1 | 33% | 0.325 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.6 | -36.1 | 179.9 | 25.3 | -34.7 | 0 | 0 | 0 | 112.2 | I107 L108 L114 V115 I146 | I107-P111 WeakPolarHBondContact O-CD 3.27Å; L108-P111 VanDerWaalsContact O-CD 3.22Å; L108-P111 WeakPolarHBondContact O-CD 3.4Å; L108-P111 WeakPolarHBondContact O-CG 3.15Å; P111-L114 PolarHBondContact O-N 3.39Å; P111-V115 VanDerWaalsContact O-CG2 3.31Å; P111-V115 WeakPolarHBondContact O-CG2 3.32Å; P111-V115 PolarHBondContact O-N 3.38Å; P111-I146 HydrophobicContact CG-CG2 4.43Å |
| 112 | V | 91 | Very high | 84.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -45.7 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | F54 M55 F58 L108 Y110 L114 V115 A116 I146 M275 L280 | F54-V112 HydrophobicContact CE1-CG1 4.19Å; M55-V112 HydrophobicContact SD-CG1 4.1Å; F58-V112 HydrophobicContact CD1-CG1 4.01Å; F58-V112 HydrophobicContact CD1-CG2 4.29Å; F58-V112 HydrophobicContact CD2-CG2 3.85Å; F58-V112 HydrophobicContact CE1-CG1 4.23Å; F58-V112 HydrophobicContact CE1-CG2 3.94Å; F58-V112 HydrophobicContact CE2-CG2 3.44Å; F58-V112 VanDerWaalsContact CE2-CG2 3.44Å; F58-V112 HydrophobicContact CG-CG1 4.21Å; F58-V112 HydrophobicContact CG-CG2 4.27Å; F58-V112 HydrophobicContact CZ-CG2 3.5Å; L108-V112 VanDerWaalsContact O-CB 3.31Å; L108-V112 WeakPolarHBondContact O-CB 3.29Å; L108-V112 WeakPolarHBondContact O-CG2 3.26Å; L108-V112 PolarHBondContact O-N 3.44Å; L108-V112 VanDerWaalsContact O-N 3.12Å; Y110-V112 VanDerWaalsContact C-N 3.32Å; Y110-V112 PolarHBondContact O-N 3.21Å; V112-L114 PolarHBondContact O-N 3.49Å; V112-V115 PolarHBondContact O-N 2.83Å; V112-A116 VanDerWaalsContact O-CB 3.3Å; V112-A116 WeakPolarHBondContact O-CB 3.38Å; V112-A116 PolarHBondContact O-N 3.35Å; V112-I146 HydrophobicContact CG2-CG2 4.12Å; V112-M275 HydrophobicContact CB-CE 4.17Å; V112-M275 HydrophobicContact CG1-CE 4.23Å; V112-M275 HydrophobicContact CG2-CE 3.97Å; V112-L280 HydrophobicContact CG1-CD2 4.4Å |
| 113 | Y | 87.5 | Confident | 84.2 | Confident | 41 Ų | 41 | 44.9 Ų | 44.9 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.5 | -63.3 | -17.3 | 0 | 0 | 0 | 112.1 | H109 Y110 V115 A116 V117 W279 L280 I283 | H109-Y113 HydrophobicContact CB-CD2 4.44Å; H109-Y113 HydrophobicContact CB-CE2 3.94Å; H109-Y113 AromaticContact CD2-CZ 3.89Å; H109-Y113 PolarHBondContact CD2-OH 3.03Å; H109-Y113 WeakPolarHBondContact O-CB 3.46Å; H109-Y113 WeakPolarHBondContact O-CD1 3.42Å; H109-Y113 WeakPolarHBondContact O-CD2 2.93Å; H109-Y113 PolarHBondContact O-N 3.49Å; Y110-Y113 PolarHBondContact O-N 3.05Å; Y113-V115 PolarHBondContact O-N 3.41Å; Y113-A116 PolarHBondContact O-N 2.96Å; Y113-V117 VanDerWaalsContact O-CG2 3.24Å; Y113-V117 WeakPolarHBondContact O-CG2 3.35Å; Y113-V117 PolarHBondContact O-N 3.26Å; Y113-W279 PolarHBondContact OH-NE1 2.03Å; Y113-L280 HydrophobicContact CE1-CD2 4.37Å; Y113-I283 HydrophobicContact CD1-CG2 3.95Å; Y113-I283 HydrophobicContact CE1-CB 4.26Å; Y113-I283 HydrophobicContact CE1-CG1 4.16Å; Y113-I283 HydrophobicContact CE1-CG2 3.76Å |
| 114 | L | 88.9 | Confident | 83.3 | Confident | 108 Ų | 108 | 45 Ų | 45 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60 | -48 | 177.4 | -176.4 | 150.6 | 0 | 0 | 0 | 111.3 | Y110 P111 V112 V117 L118 | Y110-L114 WeakPolarHBondContact O-CB 3.43Å; Y110-L114 PolarHBondContact O-N 2.92Å; P111-L114 PolarHBondContact O-N 3.39Å; V112-L114 PolarHBondContact O-N 3.49Å; L114-V117 PolarHBondContact O-N 2.85Å; L114-L118 HydrophobicContact CD2-CD1 3.62Å; L114-L118 HydrophobicContact CD2-CG 4.43Å; L114-L118 WeakPolarHBondContact O-CG 3.39Å; L114-L118 PolarHBondContact O-N 2.84Å; L114-L118 VanDerWaalsContact O-N 3.08Å |
| 115 | V | 90.4 | Very high | 82 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 21% | 0.212 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | 179.1 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | F54 P111 V112 Y113 L118 D119 V142 I146 | F54-V115 HydrophobicContact CD1-CB 4.3Å; F54-V115 HydrophobicContact CD1-CG1 3.75Å; F54-V115 HydrophobicContact CD2-CG1 3.79Å; F54-V115 HydrophobicContact CE1-CB 3.81Å; F54-V115 HydrophobicContact CE1-CG1 3.63Å; F54-V115 HydrophobicContact CE2-CB 4.46Å; F54-V115 HydrophobicContact CE2-CG1 3.67Å; F54-V115 HydrophobicContact CG-CG1 3.82Å; F54-V115 HydrophobicContact CZ-CB 3.91Å; F54-V115 HydrophobicContact CZ-CG1 3.6Å; P111-V115 VanDerWaalsContact O-CG2 3.31Å; P111-V115 WeakPolarHBondContact O-CG2 3.32Å; P111-V115 PolarHBondContact O-N 3.38Å; V112-V115 PolarHBondContact O-N 2.83Å; Y113-V115 PolarHBondContact O-N 3.41Å; V115-L118 PolarHBondContact O-N 3.49Å; V115-D119 WeakPolarHBondContact O-CB 3.3Å; V115-D119 PolarHBondContact O-N 3.02Å; V115-V142 HydrophobicContact CG1-CG1 4Å; V115-V142 HydrophobicContact CG2-CG1 4.45Å; V115-I146 HydrophobicContact CG2-CD1 4.23Å |
| 116 | A | 87.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F54 V112 Y113 L118 D119 Y120 L287 | F54-A116 HydrophobicContact CD1-CB 4.24Å; F54-A116 HydrophobicContact CE1-CB 4.49Å; V112-A116 VanDerWaalsContact O-CB 3.3Å; V112-A116 WeakPolarHBondContact O-CB 3.38Å; V112-A116 PolarHBondContact O-N 3.35Å; Y113-A116 PolarHBondContact O-N 2.96Å; A116-L118 VanDerWaalsContact C-N 3.35Å; A116-L118 PolarHBondContact O-N 3.38Å; A116-D119 WeakPolarHBondContact O-CB 3.47Å; A116-D119 PolarHBondContact O-N 2.92Å; A116-Y120 HydrophobicContact CB-CE2 4.2Å; A116-Y120 WeakPolarHBondContact O-CD2 3.18Å; A116-Y120 PolarHBondContact O-N 3.34Å; A116-L287 HydrophobicContact CB-CD1 4.09Å |
| 117 | V | 84.8 | Confident | 79.5 | Confident | 72 Ų | 72 | 61.3 Ų | 61.3 | 44% | 0.436 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | Y113 L114 D119 Y120 Y121 L287 | Y113-V117 VanDerWaalsContact O-CG2 3.24Å; Y113-V117 WeakPolarHBondContact O-CG2 3.35Å; Y113-V117 PolarHBondContact O-N 3.26Å; L114-V117 PolarHBondContact O-N 2.85Å; V117-D119 VanDerWaalsContact C-N 3.34Å; V117-Y120 PolarHBondContact O-N 2.8Å; V117-Y121 WeakPolarHBondContact O-CB 3.3Å; V117-Y121 PolarHBondContact O-N 2.88Å; V117-L287 HydrophobicContact CG2-CD1 4.11Å; V117-L287 HydrophobicContact CG2-CD2 3.73Å |
| 118 | L | 86 | Confident | 77.7 | Confident | 98 Ų | 98 | 61.5 Ų | 61.5 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.4 | -70.8 | 175.2 | 0 | 0 | 0 | 111.8 | L114 V115 A116 Y121 V122 | L114-L118 HydrophobicContact CD2-CD1 3.62Å; L114-L118 HydrophobicContact CD2-CG 4.43Å; L114-L118 WeakPolarHBondContact O-CG 3.39Å; L114-L118 PolarHBondContact O-N 2.84Å; L114-L118 VanDerWaalsContact O-N 3.08Å; V115-L118 PolarHBondContact O-N 3.49Å; A116-L118 VanDerWaalsContact C-N 3.35Å; A116-L118 PolarHBondContact O-N 3.38Å; L118-Y121 PolarHBondContact O-N 3.44Å; L118-V122 WeakPolarHBondContact O-CB 3.49Å; L118-V122 VanDerWaalsContact O-CG2 3.31Å; L118-V122 WeakPolarHBondContact O-CG2 3.16Å; L118-V122 PolarHBondContact O-N 3.26Å |
| 119 | D | 86.1 | Confident | 76.2 | Confident | 16 Ų | 16 | 66.9 Ų | 66.9 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -47 | 178.1 | -170.3 | 43.6 | 0 | 0 | 0 | 111.2 | F54 V115 A116 V117 V122 T123 Y139 | F54-D119 HydrophobicContact CB-CB 4.06Å; F54-D119 VanDerWaalsContact CB-OD2 3.3Å; F54-D119 WeakPolarHBondContact CB-OD2 3.33Å; F54-D119 PolarHBondContact N-OD2 2.97Å; V115-D119 WeakPolarHBondContact O-CB 3.3Å; V115-D119 PolarHBondContact O-N 3.02Å; A116-D119 WeakPolarHBondContact O-CB 3.47Å; A116-D119 PolarHBondContact O-N 2.92Å; V117-D119 VanDerWaalsContact C-N 3.34Å; D119-V122 PolarHBondContact O-N 2.86Å; D119-T123 WeakPolarHBondContact O-CB 3.32Å; D119-T123 PolarHBondContact O-N 3.25Å; D119-T123 PolarHBondContact O-OG1 3.3Å; D119-Y139 VanDerWaalsContact OD1-CE1 3.26Å; D119-Y139 WeakPolarHBondContact OD1-CE1 3.16Å; D119-Y139 VanDerWaalsContact OD1-CZ 3.24Å; D119-Y139 PolarHBondContact OD1-OH 2.77Å; D119-Y139 PolarHBondContact OD2-OH 3.04Å |
| 120 | Y | 78.1 | Confident | 74.7 | Confident | 7 Ų | 7 | 73.7 Ų | 73.7 | 3% | 0.027 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 175.2 | -63.3 | -54.1 | 0 | 0 | 0 | 112.2 | A116 V117 V122 T123 I124 N284 L287 I288 T308 | A116-Y120 HydrophobicContact CB-CE2 4.2Å; A116-Y120 WeakPolarHBondContact O-CD2 3.18Å; A116-Y120 PolarHBondContact O-N 3.34Å; V117-Y120 PolarHBondContact O-N 2.8Å; Y120-V122 VanDerWaalsContact C-N 3.31Å; Y120-V122 PolarHBondContact O-N 3.46Å; Y120-T123 PolarHBondContact O-N 2.98Å; Y120-I124 WeakPolarHBondContact O-CB 3.39Å; Y120-I124 WeakPolarHBondContact O-CD1 3.32Å; Y120-I124 WeakPolarHBondContact O-CG1 3.46Å; Y120-I124 PolarHBondContact O-N 2.86Å; Y120-N284 PolarHBondContact OH-OD1 3.26Å; Y120-L287 HydrophobicContact CD2-CB 3.97Å; Y120-L287 HydrophobicContact CD2-CD1 4.45Å; Y120-L287 HydrophobicContact CE2-CB 3.85Å; Y120-L287 HydrophobicContact CE2-CD1 4.06Å; Y120-I288 HydrophobicContact CD1-CG1 4.01Å; Y120-I288 HydrophobicContact CE1-CD1 3.94Å; Y120-I288 HydrophobicContact CE1-CG1 3.71Å; Y120-I288 HydrophobicContact CE2-CG1 4.44Å; Y120-T308 HydrophobicContact CE1-CG2 4.4Å |
| 121 | Y | 76 | Confident | 73.5 | Confident | 143 Ų | 143 | 69.5 Ų | 69.5 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.2 | -45.4 | 178.5 | -175.5 | -94.9 | 0 | 0 | 0 | 111.3 | V117 L118 A125 | V117-Y121 WeakPolarHBondContact O-CB 3.3Å; V117-Y121 PolarHBondContact O-N 2.88Å; L118-Y121 PolarHBondContact O-N 3.44Å; Y121-A125 WeakPolarHBondContact O-CB 3.27Å; Y121-A125 PolarHBondContact O-N 3.08Å |
| 122 | V | 75.9 | Confident | 72.5 | Confident | 66 Ų | 66 | 75.4 Ų | 75.4 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.1 | -41.1 | 179.3 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | L118 D119 Y120 A125 R126 | L118-V122 WeakPolarHBondContact O-CB 3.49Å; L118-V122 VanDerWaalsContact O-CG2 3.31Å; L118-V122 WeakPolarHBondContact O-CG2 3.16Å; L118-V122 PolarHBondContact O-N 3.26Å; D119-V122 PolarHBondContact O-N 2.86Å; Y120-V122 VanDerWaalsContact C-N 3.31Å; Y120-V122 PolarHBondContact O-N 3.46Å; V122-A125 PolarHBondContact O-N 2.88Å; V122-R126 WeakPolarHBondContact O-CB 3.25Å; V122-R126 PolarHBondContact O-N 3.24Å |
| 123 | T | 72 | Confident | 71.7 | Confident | 50 Ų | 50 | 85.8 Ų | 85.8 | 31% | 0.307 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.7 | -36.2 | -178.6 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | D119 Y120 R126 | D119-T123 WeakPolarHBondContact O-CB 3.32Å; D119-T123 PolarHBondContact O-N 3.25Å; D119-T123 PolarHBondContact O-OG1 3.3Å; Y120-T123 PolarHBondContact O-N 2.98Å; T123-R126 CarbonylContact O-C 3.6Å |
| 124 | I | 63 | Low | 71.3 | Confident | 36 Ų | 36 | 86.1 Ų | 86.1 | 19% | 0.185 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -74.2 | -36.1 | 173.9 | -65.7 | 166.9 | 0 | 0 | 0 | 110.3 | Y120 R126 A291 | Y120-I124 WeakPolarHBondContact O-CB 3.39Å; Y120-I124 WeakPolarHBondContact O-CD1 3.32Å; Y120-I124 WeakPolarHBondContact O-CG1 3.46Å; Y120-I124 PolarHBondContact O-N 2.86Å; I124-R126 VanDerWaalsContact C-N 3.32Å; I124-A291 HydrophobicContact CD1-CB 3.44Å; I124-A291 VanDerWaalsContact CD1-CB 3.44Å |
| 125 | A | 58.9 | Low | 70.9 | Confident | 57 Ų | 57 | 83.9 Ų | 83.9 | 47% | 0.471 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.8 | -24.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y121 V122 | Y121-A125 WeakPolarHBondContact O-CB 3.27Å; Y121-A125 PolarHBondContact O-N 3.08Å; V122-A125 PolarHBondContact O-N 2.88Å |
| 126 | R | 58.8 | Low | 70.5 | Confident | 173 Ų | 173 | 89.5 Ų | 89.5 | 65% | 0.653 | 45% | 0.447 | S | S | * | . | trans | -105.9 | 102.4 | 175.6 | -72.8 | -175.7 | 178.7 | 174.1 | 1.4 | 109.8 | V122 T123 I124 S128 | V122-R126 WeakPolarHBondContact O-CB 3.25Å; V122-R126 PolarHBondContact O-N 3.24Å; T123-R126 CarbonylContact O-C 3.6Å; I124-R126 VanDerWaalsContact C-N 3.32Å; R126-S128 PolarHBondContact O-N 3.2Å | ||
| 127 | T | 53.7 | Low | 70.4 | Confident | 115 Ų | 115 | 94.8 Ų | 94.8 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | trans | -66.2 | 32.9 | 166.6 | -27.3 | 0 | 0 | 0 | 0 | 112.7 | L129 | T127-L129 PolarHBondContact O-N 2.89Š| ||
| 128 | S | 46.6 | Very low | 70.6 | Confident | 72 Ų | 72 | 97.2 Ų | 97.2 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | trans | -83 | 116.6 | -173.9 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | R126 F130 | R126-S128 PolarHBondContact O-N 3.2Å; S128-F130 PolarHBondContact O-N 3.45Å | ||
| 129 | L | 54.1 | Low | 70.7 | Confident | 114 Ų | 114 | 93 Ų | 93 | 60% | 0.597 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -54.2 | 118.1 | 167.4 | -90.3 | 90.3 | 0 | 0 | 0 | 110.1 | T127 | T127-L129 PolarHBondContact O-N 2.89Š|
| 130 | F | 53.5 | Low | 70.9 | Confident | 153 Ų | 153 | 95.4 Ų | 95.4 | 67% | 0.671 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 71.9 | 132 | 170.5 | -57 | -76.2 | 0 | 0 | 0 | 118.4 | S128 K132 | S128-F130 PolarHBondContact O-N 3.45Å; F130-K132 PolarHBondContact O-N 3.49Å; F130-K132 VanDerWaalsContact O-N 3.1Å |
| 131 | P | 59.9 | Low | 71.6 | Confident | 53 Ų | 53 | 101.5 Ų | 101.5 | 34% | 0.344 | 50% | 0.499 | S | S | . | . | trans | -66.2 | 115.6 | 170.7 | 26.9 | -30.9 | 0 | 0 | 0 | 109.1 | V52 Q135 | V52-P131 HydrophobicContact CB-CG 4.47Å; P131-Q135 HydrophobicContact CB-CB 4.46Å | ||
| 132 | K | 68.9 | Low | 72.4 | Confident | 174 Ų | 174 | 95.7 Ų | 95.7 | 76% | 0.757 | 48% | 0.479 | S | S | * | . | trans | -58.3 | 146.4 | 172.6 | -65.9 | -179 | -178.9 | 179.2 | 0 | 108.4 | F130 G134 Q135 R136 | F130-K132 PolarHBondContact O-N 3.49Å; F130-K132 VanDerWaalsContact O-N 3.1Å; K132-G134 PolarHBondContact O-N 2.68Å; K132-Q135 WeakPolarHBondContact O-CB 3.4Å; K132-Q135 PolarHBondContact O-N 3.11Å; K132-R136 PolarHBondContact O-N 3.41Å | ||
| 133 | R | 75.5 | Confident | 73.3 | Confident | 219 Ų | 219 | 93 Ų | 93 | 83% | 0.826 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -48.5 | -31.6 | 176.5 | -168.2 | 175.7 | -178 | 139.5 | -1.6 | 113 | R136 L137 | R133-R136 PolarHBondContact O-N 2.99Å; R133-L137 PolarHBondContact O-N 2.87Å |
| 134 | G | 78 | Confident | 74.3 | Confident | 48 Ų | 48 | 94 Ų | 94 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.3 | -35.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115 | K132 L137 F138 | K132-G134 PolarHBondContact O-N 2.68Å; G134-L137 PolarHBondContact O-N 3.34Å; G134-F138 WeakPolarHBondContact O-CB 3.14Å; G134-F138 PolarHBondContact O-N 2.85Å |
| 135 | Q | 80.6 | Confident | 75.8 | Confident | 61 Ų | 61 | 98.1 Ų | 98.1 | 29% | 0.285 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 176.1 | -174.3 | 174.4 | 1 | 0 | 0 | 111.4 | P131 K132 F138 Y139 | P131-Q135 HydrophobicContact CB-CB 4.46Å; K132-Q135 WeakPolarHBondContact O-CB 3.4Å; K132-Q135 PolarHBondContact O-N 3.11Å; Q135-F138 WeakPolarHBondContact O-CB 3.12Å; Q135-F138 PolarHBondContact O-N 3.05Å; Q135-Y139 HydrophobicContact CG-CD2 4.25Å; Q135-Y139 HydrophobicContact CG-CE1 4.45Å; Q135-Y139 HydrophobicContact CG-CE2 3.62Å; Q135-Y139 PolarHBondContact NE2-OH 3.42Å; Q135-Y139 WeakPolarHBondContact O-CD2 3.35Å; Q135-Y139 PolarHBondContact O-N 3.14Å |
| 136 | R | 82.7 | Confident | 77.4 | Confident | 152 Ų | 152 | 96 Ų | 96 | 57% | 0.574 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.2 | -47.1 | 172 | 168.8 | 164.2 | -170.1 | -179.1 | 7 | 112.1 | Y57 K132 R133 F138 Y139 V140 | Y57-R136 HydrophobicContact CE1-CG 4.5Å; Y57-R136 HydrophobicContact CE2-CG 4.28Å; Y57-R136 WeakPolarHBondContact OH-CD 3.48Å; Y57-R136 WeakPolarHBondContact OH-CG 3.36Å; Y57-R136 PolarHBondContact OH-NE 3.44Å; K132-R136 PolarHBondContact O-N 3.41Å; R133-R136 PolarHBondContact O-N 2.99Å; R136-F138 VanDerWaalsContact C-N 3.3Å; R136-F138 PolarHBondContact O-N 3.22Å; R136-Y139 PolarHBondContact O-N 2.96Å; R136-V140 WeakPolarHBondContact O-CG2 3.16Å; R136-V140 PolarHBondContact O-N 2.65Å; R136-V140 VanDerWaalsContact O-N 3.12Å |
| 137 | L | 85.8 | Confident | 79.1 | Confident | 112 Ų | 112 | 88.8 Ų | 88.8 | 59% | 0.586 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 176.4 | -70.5 | 172.6 | 0 | 0 | 0 | 111.7 | R133 G134 V140 F141 | R133-L137 PolarHBondContact O-N 2.87Å; G134-L137 PolarHBondContact O-N 3.34Å; L137-V140 PolarHBondContact O-N 3.39Å; L137-F141 WeakPolarHBondContact O-CB 3.27Å; L137-F141 PolarHBondContact O-N 2.97Å |
| 138 | F | 87.9 | Confident | 81 | Confident | 122 Ų | 122 | 88 Ų | 88 | 54% | 0.535 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 175.5 | 178.9 | -101.9 | 0 | 0 | 0 | 112 | G134 Q135 R136 V140 F141 V142 | G134-F138 WeakPolarHBondContact O-CB 3.14Å; G134-F138 PolarHBondContact O-N 2.85Å; Q135-F138 WeakPolarHBondContact O-CB 3.12Å; Q135-F138 PolarHBondContact O-N 3.05Å; R136-F138 VanDerWaalsContact C-N 3.3Å; R136-F138 PolarHBondContact O-N 3.22Å; F138-V140 VanDerWaalsContact C-N 3.34Å; F138-V140 PolarHBondContact O-N 3.43Å; F138-F141 WeakPolarHBondContact O-CB 3.08Å; F138-F141 PolarHBondContact O-N 3.48Å; F138-V142 HydrophobicContact CD1-CG2 4.13Å; F138-V142 HydrophobicContact CD2-CG2 4.3Å; F138-V142 HydrophobicContact CE1-CG2 3.7Å; F138-V142 HydrophobicContact CE2-CG2 3.89Å; F138-V142 HydrophobicContact CG-CG2 4.42Å; F138-V142 HydrophobicContact CZ-CG2 3.57Å; F138-V142 WeakPolarHBondContact O-CG2 3.17Å; F138-V142 PolarHBondContact O-N 2.89Å |
| 139 | Y | 89.1 | Confident | 83.1 | Confident | 11 Ų | 11 | 87.5 Ų | 87.5 | 4% | 0.043 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 175.8 | -66.4 | -38.8 | 0 | 0 | 0 | 112.4 | F54 Y57 D119 Q135 R136 F141 V142 V143 | F54-Y139 HydrophobicContact CB-CD1 3.87Å; F54-Y139 HydrophobicContact CB-CE1 3.85Å; F54-Y139 HydrophobicContact CB-CG 4.49Å; F54-Y139 HydrophobicContact CD2-CD1 4.3Å; Y57-Y139 VanDerWaalsContact CD2-CB 3.5Å; Y57-Y139 AromaticContact CD2-CD2 3.73Å; Y57-Y139 HydrophobicContact CD2-CD2 3.73Å; Y57-Y139 HydrophobicContact CD2-CG 4Å; Y57-Y139 AromaticContact CE2-CD2 3.76Å; Y57-Y139 HydrophobicContact CE2-CD2 3.76Å; Y57-Y139 HydrophobicContact CE2-CG 4.36Å; D119-Y139 VanDerWaalsContact OD1-CE1 3.26Å; D119-Y139 WeakPolarHBondContact OD1-CE1 3.16Å; D119-Y139 VanDerWaalsContact OD1-CZ 3.24Å; D119-Y139 PolarHBondContact OD1-OH 2.77Å; D119-Y139 PolarHBondContact OD2-OH 3.04Å; Q135-Y139 HydrophobicContact CG-CD2 4.25Å; Q135-Y139 HydrophobicContact CG-CE1 4.45Å; Q135-Y139 HydrophobicContact CG-CE2 3.62Å; Q135-Y139 PolarHBondContact NE2-OH 3.42Å; Q135-Y139 WeakPolarHBondContact O-CD2 3.35Å; Q135-Y139 PolarHBondContact O-N 3.14Å; R136-Y139 PolarHBondContact O-N 2.96Å; Y139-F141 VanDerWaalsContact C-N 3.33Å; Y139-F141 PolarHBondContact O-N 2.83Å; Y139-V142 PolarHBondContact O-N 2.96Å; Y139-V143 WeakPolarHBondContact O-CB 3.34Å; Y139-V143 VanDerWaalsContact O-CG2 3.27Å; Y139-V143 WeakPolarHBondContact O-CG2 3.03Å; Y139-V143 PolarHBondContact O-N 3.01Å |
| 140 | V | 90.2 | Very high | 84.7 | Confident | 65 Ų | 65 | 82.3 Ų | 82.3 | 39% | 0.394 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.1 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | Y57 R136 L137 F138 V142 V143 V144 | Y57-V140 HydrophobicContact CD1-CG2 4.22Å; Y57-V140 HydrophobicContact CE1-CG2 4.22Å; R136-V140 WeakPolarHBondContact O-CG2 3.16Å; R136-V140 PolarHBondContact O-N 2.65Å; R136-V140 VanDerWaalsContact O-N 3.12Å; L137-V140 PolarHBondContact O-N 3.39Å; F138-V140 VanDerWaalsContact C-N 3.34Å; F138-V140 PolarHBondContact O-N 3.43Å; V140-V142 PolarHBondContact O-N 3.29Å; V140-V143 PolarHBondContact O-N 3.12Å; V140-V144 HydrophobicContact CG1-CG2 4.42Å; V140-V144 WeakPolarHBondContact O-CB 3.17Å; V140-V144 VanDerWaalsContact O-CG2 3.29Å; V140-V144 WeakPolarHBondContact O-CG2 3.47Å; V140-V144 PolarHBondContact O-N 3.21Å |
| 141 | F | 92.4 | Very high | 86.4 | Confident | 135 Ų | 135 | 77.5 Ų | 77.5 | 59% | 0.592 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60 | -46.5 | 177.5 | 177 | -97.8 | 0 | 0 | 0 | 112.2 | L137 F138 Y139 V144 F145 | L137-F141 WeakPolarHBondContact O-CB 3.27Å; L137-F141 PolarHBondContact O-N 2.97Å; F138-F141 WeakPolarHBondContact O-CB 3.08Å; F138-F141 PolarHBondContact O-N 3.48Å; Y139-F141 VanDerWaalsContact C-N 3.33Å; Y139-F141 PolarHBondContact O-N 2.83Å; F141-V144 PolarHBondContact O-N 3.37Å; F141-F145 VanDerWaalsContact O-CB 3.31Å; F141-F145 WeakPolarHBondContact O-CB 3.4Å; F141-F145 PolarHBondContact O-N 2.84Å |
| 142 | V | 92.9 | Very high | 87.7 | Confident | 22 Ų | 22 | 77.4 Ų | 77.4 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 178.8 | 174 | 0 | 0 | 0 | 0 | 111.1 | F54 V115 F138 Y139 V140 F145 I146 | F54-V142 HydrophobicContact CD2-CG1 4.44Å; F54-V142 HydrophobicContact CE2-CG1 3.87Å; V115-V142 HydrophobicContact CG1-CG1 4Å; V115-V142 HydrophobicContact CG2-CG1 4.45Å; F138-V142 HydrophobicContact CD1-CG2 4.13Å; F138-V142 HydrophobicContact CD2-CG2 4.3Å; F138-V142 HydrophobicContact CE1-CG2 3.7Å; F138-V142 HydrophobicContact CE2-CG2 3.89Å; F138-V142 HydrophobicContact CG-CG2 4.42Å; F138-V142 HydrophobicContact CZ-CG2 3.57Å; F138-V142 WeakPolarHBondContact O-CG2 3.17Å; F138-V142 PolarHBondContact O-N 2.89Å; Y139-V142 PolarHBondContact O-N 2.96Å; V140-V142 PolarHBondContact O-N 3.29Å; V142-F145 PolarHBondContact O-N 3.34Å; V142-I146 HydrophobicContact CG1-CD1 3.85Å; V142-I146 HydrophobicContact CG1-CG1 4.4Å; V142-I146 VanDerWaalsContact O-CG1 3.28Å; V142-I146 WeakPolarHBondContact O-CG1 3.45Å; V142-I146 PolarHBondContact O-N 3.33Å |
| 143 | V | 93.9 | Very high | 88.5 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 5% | 0.048 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 176.7 | 169 | 0 | 0 | 0 | 0 | 111 | F54 F58 S61 Y139 V140 F145 I146 W147 | F54-V143 HydrophobicContact CD2-CG2 4.12Å; F54-V143 HydrophobicContact CE2-CG2 3.66Å; F58-V143 HydrophobicContact CB-CG2 4.23Å; F58-V143 HydrophobicContact CD2-CG1 4.3Å; F58-V143 HydrophobicContact CD2-CG2 4.32Å; S61-V143 VanDerWaalsContact OG-CG1 3.27Å; S61-V143 WeakPolarHBondContact OG-CG1 3.38Å; Y139-V143 WeakPolarHBondContact O-CB 3.34Å; Y139-V143 VanDerWaalsContact O-CG2 3.27Å; Y139-V143 WeakPolarHBondContact O-CG2 3.03Å; Y139-V143 PolarHBondContact O-N 3.01Å; V140-V143 PolarHBondContact O-N 3.12Å; V143-F145 VanDerWaalsContact C-N 3.31Å; V143-F145 PolarHBondContact O-N 3.33Å; V143-I146 PolarHBondContact O-N 3.46Å; V143-W147 VanDerWaalsContact O-CD1 3.23Å; V143-W147 PolarHBondContact O-N 2.93Å |
| 144 | V | 93.9 | Very high | 88.9 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 44% | 0.436 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | V140 F141 I146 W147 I148 | V140-V144 HydrophobicContact CG1-CG2 4.42Å; V140-V144 WeakPolarHBondContact O-CB 3.17Å; V140-V144 VanDerWaalsContact O-CG2 3.29Å; V140-V144 WeakPolarHBondContact O-CG2 3.47Å; V140-V144 PolarHBondContact O-N 3.21Å; F141-V144 PolarHBondContact O-N 3.37Å; V144-I146 PolarHBondContact O-N 3.35Å; V144-W147 PolarHBondContact O-N 3.19Å; V144-I148 HydrophobicContact CG1-CD1 3.57Å; V144-I148 HydrophobicContact CG1-CG1 4.28Å; V144-I148 WeakPolarHBondContact O-CB 3.13Å; V144-I148 VanDerWaalsContact O-CG1 3.27Å; V144-I148 WeakPolarHBondContact O-CG1 3.31Å; V144-I148 PolarHBondContact O-N 3.16Å |
| 145 | F | 94.1 | Very high | 89 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.3 | -178.5 | -97.7 | 0 | 0 | 0 | 112.5 | F141 V142 V143 I148 S149 | F141-F145 VanDerWaalsContact O-CB 3.31Å; F141-F145 WeakPolarHBondContact O-CB 3.4Å; F141-F145 PolarHBondContact O-N 2.84Å; V142-F145 PolarHBondContact O-N 3.34Å; V143-F145 VanDerWaalsContact C-N 3.31Å; V143-F145 PolarHBondContact O-N 3.33Å; F145-I148 PolarHBondContact O-N 3.09Å; F145-S149 VanDerWaalsContact O-CB 3.22Å; F145-S149 WeakPolarHBondContact O-CB 3.2Å; F145-S149 PolarHBondContact O-N 3.2Å |
| 146 | I | 93.9 | Very high | 88.9 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 176.5 | -71.4 | 167.3 | 0 | 0 | 0 | 110.7 | F54 F58 L108 P111 V112 V115 V142 V143 V144 S149 G150 | F54-I146 HydrophobicContact CE2-CD1 3.99Å; F54-I146 HydrophobicContact CZ-CD1 3.63Å; F58-I146 HydrophobicContact CE2-CG2 4.19Å; L108-I146 HydrophobicContact CD2-CG2 3.91Å; L108-I146 HydrophobicContact CG-CG2 4.05Å; P111-I146 HydrophobicContact CG-CG2 4.43Å; V112-I146 HydrophobicContact CG2-CG2 4.12Å; V115-I146 HydrophobicContact CG2-CD1 4.23Å; V142-I146 HydrophobicContact CG1-CD1 3.85Å; V142-I146 HydrophobicContact CG1-CG1 4.4Å; V142-I146 VanDerWaalsContact O-CG1 3.28Å; V142-I146 WeakPolarHBondContact O-CG1 3.45Å; V142-I146 PolarHBondContact O-N 3.33Å; V143-I146 PolarHBondContact O-N 3.46Å; V144-I146 PolarHBondContact O-N 3.35Å; I146-S149 PolarHBondContact O-N 3.41Å; I146-G150 PolarHBondContact O-N 3.3Å |
| 147 | W | 94.5 | Very high | 88.2 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 8% | 0.083 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -49.9 | 176.9 | -79.3 | 114.5 | 0 | 0 | 0 | 112.2 | F58 S61 L62 L65 T104 Y105 L108 V143 V144 S149 G150 F151 | F58-W147 HydrophobicContact CE1-CZ2 4.45Å; F58-W147 AromaticContact CE2-CE2 4Å; F58-W147 HydrophobicContact CE2-CZ2 4.03Å; F58-W147 AromaticContact CE2-NE1 3.88Å; F58-W147 HydrophobicContact CZ-CH2 4.28Å; F58-W147 AromaticContact CZ-CZ2 3.68Å; F58-W147 HydrophobicContact CZ-CZ2 3.68Å; S61-W147 PolarHBondContact OG-NE1 3.05Å; L62-W147 HydrophobicContact CB-CZ2 4.48Å; L62-W147 HydrophobicContact CD1-CH2 3.91Å; L62-W147 HydrophobicContact CD1-CZ2 4.06Å; L65-W147 HydrophobicContact CD2-CE3 4.12Å; L65-W147 HydrophobicContact CD2-CH2 3.51Å; L65-W147 HydrophobicContact CD2-CZ2 4.16Å; L65-W147 HydrophobicContact CD2-CZ3 3.45Å; L65-W147 VanDerWaalsContact CD2-CZ3 3.45Å; T104-W147 HydrophobicContact CG2-CE3 4.16Å; T104-W147 HydrophobicContact CG2-CZ3 3.78Å; Y105-W147 HydrophobicContact CD1-CH2 4.2Å; Y105-W147 HydrophobicContact CD1-CZ3 4.43Å; Y105-W147 AromaticContact CE1-CH2 3.69Å; Y105-W147 HydrophobicContact CE1-CH2 3.69Å; Y105-W147 HydrophobicContact CE1-CZ3 4.06Å; L108-W147 HydrophobicContact CD2-CD2 4.02Å; L108-W147 HydrophobicContact CD2-CE3 3.69Å; L108-W147 HydrophobicContact CD2-CH2 3.72Å; L108-W147 HydrophobicContact CD2-CZ2 4.12Å; L108-W147 HydrophobicContact CD2-CZ3 3.54Å; V143-W147 VanDerWaalsContact O-CD1 3.23Å; V143-W147 PolarHBondContact O-N 2.93Å; V144-W147 PolarHBondContact O-N 3.19Å; W147-S149 VanDerWaalsContact C-N 3.32Å; W147-S149 PolarHBondContact O-N 2.94Å; W147-G150 PolarHBondContact O-N 3.19Å; W147-F151 HydrophobicContact CB-CD2 4.47Å; W147-F151 HydrophobicContact CB-CE2 4.38Å; W147-F151 HydrophobicContact CD2-CE2 4.44Å; W147-F151 HydrophobicContact CE3-CD2 4.43Å; W147-F151 AromaticContact CE3-CE2 3.68Å; W147-F151 HydrophobicContact CE3-CE2 3.68Å; W147-F151 AromaticContact CE3-CZ 3.98Å; W147-F151 HydrophobicContact CE3-CZ 3.98Å; W147-F151 HydrophobicContact CZ3-CE2 4.46Å; W147-F151 HydrophobicContact CZ3-CZ 4.32Å; W147-F151 WeakPolarHBondContact O-CD2 3.27Å; W147-F151 PolarHBondContact O-N 3.38Å |
| 148 | I | 91.8 | Very high | 86.8 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 179.7 | -68 | 170.4 | 0 | 0 | 0 | 110.6 | V144 F145 S152 | V144-I148 HydrophobicContact CG1-CD1 3.57Å; V144-I148 HydrophobicContact CG1-CG1 4.28Å; V144-I148 WeakPolarHBondContact O-CB 3.13Å; V144-I148 VanDerWaalsContact O-CG1 3.27Å; V144-I148 WeakPolarHBondContact O-CG1 3.31Å; V144-I148 PolarHBondContact O-N 3.16Å; F145-I148 PolarHBondContact O-N 3.09Å; I148-S152 WeakPolarHBondContact O-CB 3.3Å; I148-S152 PolarHBondContact O-N 3.32Å; I148-S152 PolarHBondContact O-OG 3.38Å |
| 149 | S | 90.8 | Very high | 85.2 | Confident | 62 Ų | 62 | 61.2 Ų | 61.2 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | F145 I146 W147 S152 C153 | F145-S149 VanDerWaalsContact O-CB 3.22Å; F145-S149 WeakPolarHBondContact O-CB 3.2Å; F145-S149 PolarHBondContact O-N 3.2Å; I146-S149 PolarHBondContact O-N 3.41Å; W147-S149 VanDerWaalsContact C-N 3.32Å; W147-S149 PolarHBondContact O-N 2.94Å; S149-S152 PolarHBondContact O-N 3.11Å; S149-C153 VanDerWaalsContact O-CB 3.23Å; S149-C153 WeakPolarHBondContact O-CB 3.48Å; S149-C153 PolarHBondContact O-N 3.12Å |
| 150 | G | 89.3 | Confident | 83.7 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61 | -53.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I146 W147 S152 C153 I154 | I146-G150 PolarHBondContact O-N 3.3Å; W147-G150 PolarHBondContact O-N 3.19Å; G150-S152 VanDerWaalsContact C-N 3.35Å; G150-S152 PolarHBondContact O-N 3.37Å; G150-C153 WeakPolarHBondContact O-CB 3.26Å; G150-C153 PolarHBondContact O-N 2.76Å; G150-I154 WeakPolarHBondContact O-CG1 3.41Å; G150-I154 PolarHBondContact O-N 3.3Å |
| 151 | F | 89.3 | Confident | 81.9 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 23% | 0.228 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 176.3 | -73 | -57.6 | 0 | 0 | 0 | 111.9 | L65 V100 I101 T104 W147 C153 I154 L155 | L65-F151 HydrophobicContact CD1-CE2 4.27Å; L65-F151 HydrophobicContact CD1-CZ 4.05Å; L65-F151 HydrophobicContact CD2-CZ 4.28Å; V100-F151 HydrophobicContact CG1-CD1 4.12Å; V100-F151 HydrophobicContact CG1-CE1 4.18Å; I101-F151 HydrophobicContact CD1-CE1 4.06Å; I101-F151 HydrophobicContact CD1-CZ 4.1Å; T104-F151 HydrophobicContact CG2-CD1 4.22Å; T104-F151 HydrophobicContact CG2-CE1 4Å; T104-F151 HydrophobicContact CG2-CZ 4.37Å; W147-F151 HydrophobicContact CB-CD2 4.47Å; W147-F151 HydrophobicContact CB-CE2 4.38Å; W147-F151 HydrophobicContact CD2-CE2 4.44Å; W147-F151 HydrophobicContact CE3-CD2 4.43Å; W147-F151 AromaticContact CE3-CE2 3.68Å; W147-F151 HydrophobicContact CE3-CE2 3.68Å; W147-F151 AromaticContact CE3-CZ 3.98Å; W147-F151 HydrophobicContact CE3-CZ 3.98Å; W147-F151 HydrophobicContact CZ3-CE2 4.46Å; W147-F151 HydrophobicContact CZ3-CZ 4.32Å; W147-F151 WeakPolarHBondContact O-CD2 3.27Å; W147-F151 PolarHBondContact O-N 3.38Å; F151-C153 VanDerWaalsContact C-N 3.28Å; F151-C153 PolarHBondContact O-N 3.09Å; F151-I154 PolarHBondContact O-N 3.08Å; F151-L155 VanDerWaalsContact O-CB 3.27Å; F151-L155 WeakPolarHBondContact O-CB 3.31Å; F151-L155 WeakPolarHBondContact O-CG 3.32Å; F151-L155 PolarHBondContact O-N 3.34Å |
| 152 | S | 86.6 | Confident | 79.9 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.5 | -33.5 | 178.7 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | I148 S149 G150 K156 | I148-S152 WeakPolarHBondContact O-CB 3.3Å; I148-S152 PolarHBondContact O-N 3.32Å; I148-S152 PolarHBondContact O-OG 3.38Å; S149-S152 PolarHBondContact O-N 3.11Å; G150-S152 VanDerWaalsContact C-N 3.35Å; G150-S152 PolarHBondContact O-N 3.37Å; S152-K156 WeakPolarHBondContact O-CB 3.31Å; S152-K156 WeakPolarHBondContact O-CD 3.49Å; S152-K156 WeakPolarHBondContact O-CG 3.38Å; S152-K156 PolarHBondContact O-N 3.17Å |
| 153 | C | 85.6 | Confident | 78 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 39% | 0.385 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.9 | -53.7 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | S149 G150 F151 K156 V157 | S149-C153 VanDerWaalsContact O-CB 3.23Å; S149-C153 WeakPolarHBondContact O-CB 3.48Å; S149-C153 PolarHBondContact O-N 3.12Å; G150-C153 WeakPolarHBondContact O-CB 3.26Å; G150-C153 PolarHBondContact O-N 2.76Å; F151-C153 VanDerWaalsContact C-N 3.28Å; F151-C153 PolarHBondContact O-N 3.09Å; C153-K156 PolarHBondContact O-N 2.93Å; C153-V157 WeakPolarHBondContact O-CG2 3.13Å; C153-V157 PolarHBondContact O-N 3.33Å |
| 154 | I | 83.9 | Confident | 76.1 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.026 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.4 | -49.4 | -179.4 | -68 | -51.9 | 0 | 0 | 0 | 111.5 | V100 L103 I107 G150 F151 K156 V157 I160 | V100-I154 HydrophobicContact CG1-CG2 4.28Å; L103-I154 HydrophobicContact CB-CD1 3.73Å; L103-I154 HydrophobicContact CB-CG1 4.27Å; L103-I154 HydrophobicContact CB-CG2 4.12Å; L103-I154 HydrophobicContact CD1-CG2 4.42Å; I107-I154 HydrophobicContact CD1-CD1 3.31Å; I107-I154 HydrophobicContact CD1-CG1 4.33Å; I107-I154 HydrophobicContact CG1-CD1 4.12Å; G150-I154 WeakPolarHBondContact O-CG1 3.41Å; G150-I154 PolarHBondContact O-N 3.3Å; F151-I154 PolarHBondContact O-N 3.08Å; I154-K156 PolarHBondContact O-N 2.83Å; I154-K156 VanDerWaalsContact O-N 3.12Å; I154-V157 WeakPolarHBondContact O-CB 3.34Å; I154-V157 PolarHBondContact O-N 2.83Å; I154-I160 HydrophobicContact CB-CD1 4.38Å; I154-I160 HydrophobicContact CG2-CD1 3.29Å; I154-I160 WeakPolarHBondContact O-CD1 3.5Å |
| 155 | L | 80.6 | Confident | 74 | Confident | 123 Ų | 123 | 67.7 Ų | 67.7 | 64% | 0.644 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.7 | -19.3 | -179.9 | -67.5 | 172.4 | 0 | 0 | 0 | 113.9 | F151 | F151-L155 VanDerWaalsContact O-CB 3.27Å; F151-L155 WeakPolarHBondContact O-CB 3.31Å; F151-L155 WeakPolarHBondContact O-CG 3.32Å; F151-L155 PolarHBondContact O-N 3.34Å |
| 156 | K | 77.3 | Confident | 71.9 | Confident | 171 Ų | 171 | 69.3 Ų | 69.3 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -12.5 | 174.3 | -76.2 | 176.2 | -177.5 | -178.1 | 0 | 113.4 | S152 C153 I154 P158 | S152-K156 WeakPolarHBondContact O-CB 3.31Å; S152-K156 WeakPolarHBondContact O-CD 3.49Å; S152-K156 WeakPolarHBondContact O-CG 3.38Å; S152-K156 PolarHBondContact O-N 3.17Å; C153-K156 PolarHBondContact O-N 2.93Å; I154-K156 PolarHBondContact O-N 2.83Å; I154-K156 VanDerWaalsContact O-N 3.12Å; K156-P158 VanDerWaalsContact O-CD 3.31Å; K156-P158 WeakPolarHBondContact O-CD 3.16Å |
| 157 | V | 68.4 | Low | 69.8 | Low | 60 Ų | 60 | 72.7 Ų | 72.7 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | trans | -79.1 | 117.3 | -179.5 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | C153 I154 A159 I160 | C153-V157 WeakPolarHBondContact O-CG2 3.13Å; C153-V157 PolarHBondContact O-N 3.33Å; I154-V157 WeakPolarHBondContact O-CB 3.34Å; I154-V157 PolarHBondContact O-N 2.83Å; V157-A159 HydrophobicContact CG1-CB 3.59Å; V157-A159 PolarHBondContact O-N 3.4Å; V157-A159 VanDerWaalsContact O-N 3.11Å; V157-I160 PolarHBondContact O-N 2.9Å | ||
| 158 | P | 57.1 | Low | 67.8 | Low | 83 Ų | 83 | 78.5 Ų | 78.5 | 54% | 0.539 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.6 | 177.8 | -19.7 | 31.9 | 0 | 0 | 0 | 113.7 | K156 I160 S161 E162 | K156-P158 VanDerWaalsContact O-CD 3.31Å; K156-P158 WeakPolarHBondContact O-CD 3.16Å; P158-I160 PolarHBondContact O-N 3.47Å; P158-S161 PolarHBondContact O-N 2.79Å; P158-S161 VanDerWaalsContact O-N 3.16Å; P158-S161 PolarHBondContact O-OG 2.85Å; P158-E162 PolarHBondContact O-N 3.46Å |
| 159 | A | 54.3 | Low | 65.8 | Low | 48 Ų | 48 | 81.9 Ų | 81.9 | 40% | 0.397 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.5 | -23.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V157 S161 E163 | V157-A159 HydrophobicContact CG1-CB 3.59Å; V157-A159 PolarHBondContact O-N 3.4Å; V157-A159 VanDerWaalsContact O-N 3.11Å; A159-S161 VanDerWaalsContact C-N 3.35Å; A159-E163 WeakPolarHBondContact O-CB 3.42Å; A159-E163 PolarHBondContact O-N 3.16Å |
| 160 | I | 56.5 | Low | 63.9 | Low | 18 Ų | 18 | 87.7 Ų | 87.7 | 9% | 0.092 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 176.7 | -57.2 | 177.2 | 0 | 0 | 0 | 110.4 | L96 L103 I154 V157 P158 L164 | L96-I160 HydrophobicContact CD1-CG2 4.35Å; L103-I160 HydrophobicContact CD1-CD1 3.97Å; L103-I160 HydrophobicContact CD1-CG1 3.7Å; I154-I160 HydrophobicContact CB-CD1 4.38Å; I154-I160 HydrophobicContact CG2-CD1 3.29Å; I154-I160 WeakPolarHBondContact O-CD1 3.5Å; V157-I160 PolarHBondContact O-N 2.9Å; P158-I160 PolarHBondContact O-N 3.47Å; I160-L164 WeakPolarHBondContact O-CB 3.38Å |
| 161 | S | 52.6 | Low | 62 | Low | 66 Ų | 66 | 88.9 Ų | 88.9 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.7 | -44.2 | 174 | 33.7 | 0 | 0 | 0 | 0 | 112.3 | P158 A159 E165 | P158-S161 PolarHBondContact O-N 2.79Å; P158-S161 VanDerWaalsContact O-N 3.16Å; P158-S161 PolarHBondContact O-OG 2.85Å; A159-S161 VanDerWaalsContact C-N 3.35Å; S161-E165 WeakPolarHBondContact O-CB 3.46Å; S161-E165 WeakPolarHBondContact O-CG 3.38Å; S161-E165 PolarHBondContact O-N 2.91Å |
| 162 | E | 51.6 | Low | 60 | Low | 116 Ų | 116 | 90.5 Ų | 90.5 | 54% | 0.542 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74.3 | -36.5 | -174.9 | -72.1 | -174.8 | 167.9 | 0 | 0 | 114 | P158 L164 R166 | P158-E162 PolarHBondContact O-N 3.46Å; E162-L164 VanDerWaalsContact C-N 3.34Å; E162-R166 WeakPolarHBondContact O-CB 3.21Å; E162-R166 PolarHBondContact O-N 3.46Å |
| 163 | E | 52.5 | Low | 58.2 | Low | 85 Ų | 85 | 94.8 Ų | 94.8 | 40% | 0.397 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.8 | -35.6 | 176.8 | -161.4 | 69.4 | -176 | 0 | 0 | 111 | A159 R166 Q167 | A159-E163 WeakPolarHBondContact O-CB 3.42Å; A159-E163 PolarHBondContact O-N 3.16Å; E163-R166 IonicContact OE2-CZ 2.78Å; E163-R166 IonicContact OE2-NH2 3.29Å; E163-R166 PolarHBondContact OE2-NH2 2.98Å; E163-Q167 PolarHBondContact O-N 2.85Å |
| 164 | L | 53.6 | Low | 56.6 | Low | 27 Ų | 27 | 97.9 Ų | 97.9 | 14% | 0.141 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -71.9 | -37.9 | 176.1 | -168.7 | 62.7 | 0 | 0 | 0 | 111.9 | Y92 L96 I160 E162 K168 | Y92-L164 HydrophobicContact CE2-CD1 4.48Å; Y92-L164 HydrophobicContact CE2-CD2 3.54Å; Y92-L164 HydrophobicContact CE2-CG 4.12Å; Y92-L164 WeakPolarHBondContact OH-CD2 3.22Å; L96-L164 HydrophobicContact CD1-CD2 4.38Å; I160-L164 WeakPolarHBondContact O-CB 3.38Å; E162-L164 VanDerWaalsContact C-N 3.34Å; L164-K168 VanDerWaalsContact O-CB 3.3Å; L164-K168 WeakPolarHBondContact O-CB 3.49Å; L164-K168 PolarHBondContact O-N 3.33Å |
| 165 | E | 50.7 | Low | 55.4 | Low | 138 Ų | 138 | 100 Ų | 100 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.4 | -44.1 | 176.7 | -82.4 | -172.6 | 159.1 | 0 | 0 | 113.5 | S161 Q167 | S161-E165 WeakPolarHBondContact O-CB 3.46Å; S161-E165 WeakPolarHBondContact O-CG 3.38Å; S161-E165 PolarHBondContact O-N 2.91Å; E165-Q167 VanDerWaalsContact C-N 3.3Å; E165-Q167 PolarHBondContact O-N 3.46Å |
| 166 | R | 49.2 | Very low | 54.1 | Low | 157 Ų | 157 | 96.8 Ų | 96.8 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.7 | -38.8 | 178.6 | -81.2 | -168.1 | -62.1 | 171.1 | 3 | 112.1 | E162 E163 H169 F170 | E162-R166 WeakPolarHBondContact O-CB 3.21Å; E162-R166 PolarHBondContact O-N 3.46Å; E163-R166 IonicContact OE2-CZ 2.78Å; E163-R166 IonicContact OE2-NH2 3.29Å; E163-R166 PolarHBondContact OE2-NH2 2.98Å; R166-H169 VanDerWaalsContact O-CB 3.31Å; R166-H169 WeakPolarHBondContact O-CB 3.3Å; R166-F170 WeakPolarHBondContact O-CD2 3.22Å |
| 167 | Q | 50.6 | Low | 53.2 | Low | 82 Ų | 82 | 92.6 Ų | 92.6 | 38% | 0.383 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -88 | -25.3 | -174.1 | -160.9 | 124.4 | -32.3 | 0 | 0 | 114 | E163 E165 H169 F170 S171 | E163-Q167 PolarHBondContact O-N 2.85Å; E165-Q167 VanDerWaalsContact C-N 3.3Å; E165-Q167 PolarHBondContact O-N 3.46Å; Q167-H169 PolarHBondContact O-N 2.92Å; Q167-H169 VanDerWaalsContact O-N 3.11Å; Q167-F170 PolarHBondContact O-N 3.42Å; Q167-S171 PolarHBondContact O-N 3.33Å |
| 168 | K | 51 | Low | 52.8 | Low | 145 Ų | 145 | 94.9 Ų | 94.9 | 63% | 0.63 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -54.5 | -26.7 | 165.9 | -173.3 | 177.8 | -177.9 | 179.1 | 0 | 112 | L164 | L164-K168 VanDerWaalsContact O-CB 3.3Å; L164-K168 WeakPolarHBondContact O-CB 3.49Å; L164-K168 PolarHBondContact O-N 3.33Å |
| 169 | H | 51.2 | Low | 52.8 | Low | 168 Ų | 168 | 93.8 Ų | 93.8 | 78% | 0.778 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -24.5 | 175.1 | -119.6 | -67.8 | 0 | 0 | 0 | 114.4 | R166 Q167 | R166-H169 VanDerWaalsContact O-CB 3.31Å; R166-H169 WeakPolarHBondContact O-CB 3.3Å; Q167-H169 PolarHBondContact O-N 2.92Å; Q167-H169 VanDerWaalsContact O-N 3.11Å |
| 170 | F | 49.7 | Very low | 53.1 | Low | 183 Ų | 183 | 91.9 Ų | 91.9 | 80% | 0.803 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -30.6 | -175.8 | -70.5 | -75.4 | 0 | 0 | 0 | 114.1 | R166 Q167 | R166-F170 WeakPolarHBondContact O-CD2 3.22Å; Q167-F170 PolarHBondContact O-N 3.42Å |
| 171 | S | 49.3 | Very low | 53.6 | Low | 31 Ų | 31 | 96.5 Ų | 96.5 | 22% | 0.217 | 47% | 0.47 | C | S | . | . | trans | -148.6 | 95.3 | 175.9 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | Q167 Y173 Q174 | Q167-S171 PolarHBondContact O-N 3.33Å; S171-Y173 PolarHBondContact O-N 3.48Å; S171-Y173 VanDerWaalsContact O-N 3.15Å; S171-Q174 PolarHBondContact OG-OE1 3.3Å | ||
| 172 | P | 48.7 | Very low | 54.3 | Low | 86 Ų | 86 | 95 Ų | 95 | 56% | 0.558 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -10.7 | -173.4 | -14.5 | 26.2 | 0 | 0 | 0 | 114.8 | ||
| 173 | Y | 48.9 | Very low | 55 | Low | 141 Ų | 141 | 90.3 Ų | 90.3 | 55% | 0.553 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | 1.4 | -165.3 | -51.3 | -79.6 | 0 | 0 | 0 | 114.1 | Q17 S171 | Q17-Y173 PolarHBondContact NE2-OH 2.94Å; S171-Y173 PolarHBondContact O-N 3.48Å; S171-Y173 VanDerWaalsContact O-N 3.15Å |
| 174 | Q | 51.5 | Low | 56.1 | Low | 122 Ų | 122 | 92.2 Ų | 92.2 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | trans | -117.4 | 119.4 | 179.4 | -69.9 | 176.5 | -18.9 | 0 | 0 | 109.2 | S171 P176 | S171-Q174 PolarHBondContact OG-OE1 3.3Å; Q174-P176 VanDerWaalsContact O-CD 3.31Å; Q174-P176 WeakPolarHBondContact O-CD 3.23Å | ||
| 175 | C | 57.8 | Low | 57.4 | Low | 51 Ų | 51 | 94.3 Ų | 94.3 | 35% | 0.345 | 46% | 0.457 | S | S | . | . | trans | -79.4 | 114.3 | 172.5 | -62.6 | 0 | 0 | 0 | 0 | 108 | C95 F177 | C95-C175 HydrophobicContact CB-CB 3.58Å; C95-C175 WeakPolarHBondContact CB-SG 3.3Å; C95-C175 WeakPolarHBondContact SG-CB 3.49Å; C95-C175 CovalentContact SG-SG 1.98Å; C95-C175 PolarHBondContact SG-SG 3.47Å; C175-F177 PolarHBondContact O-N 3.25Å; C175-F177 VanDerWaalsContact O-N 3.08Å | ||
| 176 | P | 54 | Low | 58.7 | Low | 54 Ų | 54 | 89.2 Ų | 89.2 | 35% | 0.351 | 44% | 0.435 | S | S | . | . | trans | -65.4 | 118.7 | -178.8 | 25.8 | -31.4 | 0 | 0 | 0 | 108.1 | Q174 Y178 | Q174-P176 VanDerWaalsContact O-CD 3.31Å; Q174-P176 WeakPolarHBondContact O-CD 3.23Å; P176-Y178 PolarHBondContact O-N 2.83Å | ||
| 177 | F | 57.6 | Low | 60.2 | Low | 83 Ų | 83 | 82.1 Ų | 82.1 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | trans | -67.9 | 115.2 | 163.7 | -62.4 | -59.9 | 0 | 0 | 0 | 106.8 | L28 C175 V179 P270 Y272 | L28-F177 HydrophobicContact CD1-CE1 4.19Å; C175-F177 PolarHBondContact O-N 3.25Å; C175-F177 VanDerWaalsContact O-N 3.08Å; F177-V179 PolarHBondContact O-N 3.32Å; F177-V179 VanDerWaalsContact O-N 3.12Å; F177-P270 HydrophobicContact CB-CB 4.4Å; F177-P270 HydrophobicContact CG-CB 4.49Å; F177-Y272 HydrophobicContact CD1-CD1 4.01Å; F177-Y272 AromaticContact CD1-CE1 3.41Å; F177-Y272 HydrophobicContact CD1-CE1 3.41Å; F177-Y272 VanDerWaalsContact CD1-CE1 3.41Å; F177-Y272 HydrophobicContact CE1-CD1 4.31Å; F177-Y272 AromaticContact CE1-CE1 3.48Å; F177-Y272 HydrophobicContact CE1-CE1 3.48Å; F177-Y272 VanDerWaalsContact CE1-CE1 3.48Å; F177-Y272 HydrophobicContact CG-CE1 4.33Å; F177-Y272 HydrophobicContact CZ-CE1 4.47Å | ||
| 178 | Y | 60.9 | Low | 61.9 | Low | 108 Ų | 108 | 83.1 Ų | 83.1 | 42% | 0.424 | 41% | 0.413 | S | S | . | . | trans | -59.5 | 118.9 | 167 | -176.3 | -108.5 | 0 | 0 | 0 | 106.8 | L103 P176 S180 A271 | L103-Y178 HydrophobicContact CD2-CD1 4.1Å; L103-Y178 HydrophobicContact CD2-CD2 4.31Å; L103-Y178 HydrophobicContact CD2-CE1 4.08Å; L103-Y178 HydrophobicContact CD2-CE2 4.3Å; L103-Y178 HydrophobicContact CD2-CG 4.23Å; P176-Y178 PolarHBondContact O-N 2.83Å; Y178-S180 VanDerWaalsContact CE1-CB 3.48Å; Y178-A271 HydrophobicContact CD1-CB 3.64Å; Y178-A271 HydrophobicContact CG-CB 4.36Å; Y178-A271 WeakPolarHBondContact O-CB 3.43Å; Y178-A271 PolarHBondContact O-N 3.21Å | ||
| 179 | V | 57.2 | Low | 63.6 | Low | 60 Ų | 60 | 78.2 Ų | 78.2 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | trans | -99.4 | 99.6 | 172.4 | 179.6 | 0 | 0 | 0 | 0 | 105.1 | F177 V181 Q268 | F177-V179 PolarHBondContact O-N 3.32Å; F177-V179 VanDerWaalsContact O-N 3.12Å; V179-V181 PolarHBondContact O-N 3.45Å; V179-Q268 HydrophobicContact CG1-CB 3.91Å; V179-Q268 HydrophobicContact CG1-CG 4.08Å; V179-Q268 HydrophobicContact CG2-CB 4.1Å | ||
| 180 | S | 61.3 | Low | 65.2 | Low | 8 Ų | 8 | 70.9 Ų | 70.9 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | trans | -74.7 | 125 | -179.2 | -161.7 | 0 | 0 | 0 | 0 | 109.6 | Y178 Q182 E274 | Y178-S180 VanDerWaalsContact CE1-CB 3.48Å; S180-Q182 PolarHBondContact O-N 2.86Å; S180-Q182 VanDerWaalsContact O-N 3.12Å; S180-Q182 WeakPolarHBondContact OG-CB 3.35Å; S180-Q182 PolarHBondContact OG-N 3.08Å; S180-E274 VanDerWaalsContact CB-CD 3.47Å; S180-E274 WeakPolarHBondContact CB-OE1 3.28Å; S180-E274 VanDerWaalsContact CB-OE2 3.31Å; S180-E274 WeakPolarHBondContact CB-OE2 3.36Å; S180-E274 PolarHBondContact N-OE1 2.8Å | ||
| 181 | V | 65.1 | Low | 67.1 | Low | 116 Ų | 116 | 63.7 Ų | 63.7 | 70% | 0.703 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.6 | -18.3 | 166.4 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | V179 S185 | V179-V181 PolarHBondContact O-N 3.45Å; V181-S185 WeakPolarHBondContact O-CB 3.41Å; V181-S185 PolarHBondContact O-N 2.89Å |
| 182 | Q | 67.3 | Low | 69 | Low | 35 Ų | 35 | 66.4 Ų | 66.4 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.7 | -44 | -176.2 | -162.6 | -176.4 | -22.8 | 0 | 0 | 112.8 | G106 Y110 S180 Y184 S185 V186 | G106-Q182 VanDerWaalsContact O-CD 3.3Å; G106-Q182 PolarHBondContact O-NE2 3.36Å; G106-Q182 PolarHBondContact O-OE1 3.43Å; G106-Q182 VanDerWaalsContact O-OE1 3.12Å; Y110-Q182 VanDerWaalsContact CZ-NE2 3.27Å; Y110-Q182 PolarHBondContact OH-NE2 2.87Å; S180-Q182 PolarHBondContact O-N 2.86Å; S180-Q182 VanDerWaalsContact O-N 3.12Å; S180-Q182 WeakPolarHBondContact OG-CB 3.35Å; S180-Q182 PolarHBondContact OG-N 3.08Å; Q182-Y184 VanDerWaalsContact C-N 3.33Å; Q182-Y184 PolarHBondContact O-N 3.37Å; Q182-S185 WeakPolarHBondContact O-CB 3.38Å; Q182-S185 PolarHBondContact O-N 2.92Å; Q182-S185 VanDerWaalsContact O-N 3.16Å; Q182-V186 HydrophobicContact CG-CG2 4.49Å; Q182-V186 VanDerWaalsContact O-CG2 3.26Å; Q182-V186 WeakPolarHBondContact O-CG2 3.41Å; Q182-V186 PolarHBondContact O-N 3.09Å |
| 183 | S | 68.1 | Low | 71 | Confident | 16 Ų | 16 | 66.9 Ų | 66.9 | 11% | 0.112 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 178.3 | 176.7 | 0 | 0 | 0 | 0 | 112 | V186 S187 | S183-V186 PolarHBondContact O-N 2.9Å; S183-S187 VanDerWaalsContact O-CB 3.29Å; S183-S187 WeakPolarHBondContact O-CB 3.34Å; S183-S187 PolarHBondContact O-N 2.88Å; S183-S187 PolarHBondContact O-OG 3.37Å |
| 184 | Y | 74.9 | Confident | 72.8 | Confident | 125 Ų | 125 | 60.5 Ų | 60.5 | 49% | 0.49 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 171.5 | -175 | -83.8 | 0 | 0 | 0 | 111.2 | Q182 S187 F188 L263 | Q182-Y184 VanDerWaalsContact C-N 3.33Å; Q182-Y184 PolarHBondContact O-N 3.37Å; Y184-S187 PolarHBondContact O-N 2.99Å; Y184-F188 WeakPolarHBondContact O-CB 3.15Å; Y184-F188 PolarHBondContact O-N 3.45Å; Y184-L263 HydrophobicContact CD2-CD2 3.24Å; Y184-L263 HydrophobicContact CE1-CD2 4.46Å; Y184-L263 HydrophobicContact CE2-CD2 3.2Å; Y184-L263 HydrophobicContact CE2-CG 4.43Å; Y184-L263 HydrophobicContact CG-CD2 3.93Å |
| 185 | S | 80.1 | Confident | 74.5 | Confident | 71 Ų | 71 | 56.1 Ų | 56.1 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 179.5 | -177.3 | 0 | 0 | 0 | 0 | 112.7 | V181 Q182 F188 A189 | V181-S185 WeakPolarHBondContact O-CB 3.41Å; V181-S185 PolarHBondContact O-N 2.89Å; Q182-S185 WeakPolarHBondContact O-CB 3.38Å; Q182-S185 PolarHBondContact O-N 2.92Å; Q182-S185 VanDerWaalsContact O-N 3.16Å; S185-F188 PolarHBondContact O-N 3.5Å; S185-A189 VanDerWaalsContact O-CB 3.32Å; S185-A189 WeakPolarHBondContact O-CB 3.32Å; S185-A189 PolarHBondContact O-N 2.96Å |
| 186 | V | 78.4 | Confident | 76 | Confident | 31 Ų | 31 | 60 Ų | 60 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.7 | -45 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 111 | Q182 S183 F188 A189 M190 W279 | Q182-V186 HydrophobicContact CG-CG2 4.49Å; Q182-V186 VanDerWaalsContact O-CG2 3.26Å; Q182-V186 WeakPolarHBondContact O-CG2 3.41Å; Q182-V186 PolarHBondContact O-N 3.09Å; S183-V186 PolarHBondContact O-N 2.9Å; V186-F188 PolarHBondContact O-N 2.88Å; V186-A189 PolarHBondContact O-N 2.82Å; V186-M190 HydrophobicContact CG1-CG 4.47Å; V186-M190 WeakPolarHBondContact O-CB 3.18Å; V186-M190 WeakPolarHBondContact O-CG 3.32Å; V186-M190 PolarHBondContact O-N 3.01Å; V186-W279 HydrophobicContact CG1-CZ2 3.84Å |
| 187 | S | 81.3 | Confident | 77.5 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | S183 Y184 M190 L191 | S183-S187 VanDerWaalsContact O-CB 3.29Å; S183-S187 WeakPolarHBondContact O-CB 3.34Å; S183-S187 PolarHBondContact O-N 2.88Å; S183-S187 PolarHBondContact O-OG 3.37Å; Y184-S187 PolarHBondContact O-N 2.99Å; S187-M190 PolarHBondContact O-N 3.43Å; S187-L191 WeakPolarHBondContact O-CG 3.43Å; S187-L191 PolarHBondContact O-N 2.83Å |
| 188 | F | 85.7 | Confident | 78.9 | Confident | 102 Ų | 102 | 56.8 Ų | 56.8 | 45% | 0.447 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 175.5 | -177.5 | -106.7 | 0 | 0 | 0 | 112 | Y184 S185 V186 M190 L191 L192 | Y184-F188 WeakPolarHBondContact O-CB 3.15Å; Y184-F188 PolarHBondContact O-N 3.45Å; S185-F188 PolarHBondContact O-N 3.5Å; V186-F188 PolarHBondContact O-N 2.88Å; F188-M190 VanDerWaalsContact C-N 3.33Å; F188-M190 PolarHBondContact O-N 3.09Å; F188-L191 PolarHBondContact O-N 2.92Å; F188-L192 HydrophobicContact CD1-CD1 3.74Å; F188-L192 HydrophobicContact CD1-CG 4.28Å; F188-L192 HydrophobicContact CE1-CD1 3.26Å; F188-L192 HydrophobicContact CE1-CG 3.97Å; F188-L192 HydrophobicContact CE2-CD1 4.49Å; F188-L192 HydrophobicContact CE2-CG 4.37Å; F188-L192 HydrophobicContact CZ-CD1 3.69Å; F188-L192 HydrophobicContact CZ-CD2 4.17Å; F188-L192 HydrophobicContact CZ-CG 4Å; F188-L192 WeakPolarHBondContact O-CB 3.27Å; F188-L192 WeakPolarHBondContact O-CG 3.22Å; F188-L192 PolarHBondContact O-N 3.01Å |
| 189 | A | 86.8 | Confident | 80.1 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S185 V186 L192 L193 | S185-A189 VanDerWaalsContact O-CB 3.32Å; S185-A189 WeakPolarHBondContact O-CB 3.32Å; S185-A189 PolarHBondContact O-N 2.96Å; V186-A189 PolarHBondContact O-N 2.82Å; A189-L192 PolarHBondContact O-N 3.48Å; A189-L193 VanDerWaalsContact O-CG 3.3Å; A189-L193 WeakPolarHBondContact O-CG 3.44Å; A189-L193 PolarHBondContact O-N 3.37Å |
| 190 | M | 85 | Confident | 81.3 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 7% | 0.069 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 176.8 | -74.9 | -60.5 | -62.2 | 0 | 0 | 112.2 | V186 S187 F188 L192 L193 I194 F282 I283 F286 | V186-M190 HydrophobicContact CG1-CG 4.47Å; V186-M190 WeakPolarHBondContact O-CB 3.18Å; V186-M190 WeakPolarHBondContact O-CG 3.32Å; V186-M190 PolarHBondContact O-N 3.01Å; S187-M190 PolarHBondContact O-N 3.43Å; F188-M190 VanDerWaalsContact C-N 3.33Å; F188-M190 PolarHBondContact O-N 3.09Å; M190-L192 VanDerWaalsContact C-N 3.33Å; M190-L192 PolarHBondContact O-N 2.67Å; M190-L193 PolarHBondContact O-N 2.85Å; M190-I194 VanDerWaalsContact O-CG1 3.31Å; M190-I194 WeakPolarHBondContact O-CG1 3.48Å; M190-I194 PolarHBondContact O-N 3.23Å; M190-F282 HydrophobicContact CE-CE1 3.79Å; M190-F282 HydrophobicContact CE-CZ 4.26Å; M190-I283 HydrophobicContact CE-CD1 3.91Å; M190-I283 HydrophobicContact CG-CD1 4.2Å; M190-I283 HydrophobicContact SD-CD1 3.98Å; M190-F286 HydrophobicContact CE-CB 4.09Å; M190-F286 HydrophobicContact CE-CD1 3.72Å; M190-F286 HydrophobicContact CE-CD2 3.73Å; M190-F286 HydrophobicContact CE-CE1 4Å; M190-F286 HydrophobicContact CE-CE2 4.02Å; M190-F286 HydrophobicContact CE-CG 3.57Å; M190-F286 HydrophobicContact CE-CZ 4.14Å; M190-F286 HydrophobicContact SD-CD1 4.28Å; M190-F286 HydrophobicContact SD-CE1 4.16Å; M190-F286 HydrophobicContact SD-CZ 4.48Å |
| 191 | L | 88.7 | Confident | 82.3 | Confident | 33 Ų | 33 | 56 Ų | 56 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 176.2 | -71.1 | 178.8 | 0 | 0 | 0 | 112.2 | S187 F188 G195 V256 Q259 I260 L263 | S187-L191 WeakPolarHBondContact O-CG 3.43Å; S187-L191 PolarHBondContact O-N 2.83Å; F188-L191 PolarHBondContact O-N 2.92Å; L191-G195 PolarHBondContact O-N 3.27Å; L191-V256 HydrophobicContact CD2-CG1 3.76Å; L191-Q259 HydrophobicContact CD1-CB 4.35Å; L191-I260 HydrophobicContact CD1-CG1 3.94Å; L191-I260 HydrophobicContact CD2-CD1 4.47Å; L191-I260 HydrophobicContact CD2-CG1 4Å; L191-L263 HydrophobicContact CD1-CD1 3.32Å |
| 192 | L | 90.6 | Very high | 83 | Confident | 88 Ų | 88 | 58.1 Ų | 58.1 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 173.1 | -77.4 | -179 | 0 | 0 | 0 | 111.3 | F188 A189 M190 G195 M196 | F188-L192 HydrophobicContact CD1-CD1 3.74Å; F188-L192 HydrophobicContact CD1-CG 4.28Å; F188-L192 HydrophobicContact CE1-CD1 3.26Å; F188-L192 HydrophobicContact CE1-CG 3.97Å; F188-L192 HydrophobicContact CE2-CD1 4.49Å; F188-L192 HydrophobicContact CE2-CG 4.37Å; F188-L192 HydrophobicContact CZ-CD1 3.69Å; F188-L192 HydrophobicContact CZ-CD2 4.17Å; F188-L192 HydrophobicContact CZ-CG 4Å; F188-L192 WeakPolarHBondContact O-CB 3.27Å; F188-L192 WeakPolarHBondContact O-CG 3.22Å; F188-L192 PolarHBondContact O-N 3.01Å; A189-L192 PolarHBondContact O-N 3.48Å; M190-L192 VanDerWaalsContact C-N 3.33Å; M190-L192 PolarHBondContact O-N 2.67Å; L192-G195 PolarHBondContact O-N 3.46Å; L192-M196 VanDerWaalsContact O-CB 3.3Å; L192-M196 WeakPolarHBondContact O-CB 3.31Å; L192-M196 WeakPolarHBondContact O-CG 3.17Å; L192-M196 PolarHBondContact O-N 2.64Å |
| 193 | L | 89.5 | Confident | 83.4 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 178.9 | -73.5 | 170.3 | 0 | 0 | 0 | 111.9 | A189 M190 A197 F286 | A189-L193 VanDerWaalsContact O-CG 3.3Å; A189-L193 WeakPolarHBondContact O-CG 3.44Å; A189-L193 PolarHBondContact O-N 3.37Å; M190-L193 PolarHBondContact O-N 2.85Å; L193-A197 VanDerWaalsContact O-CB 3.32Å; L193-A197 WeakPolarHBondContact O-CB 3.41Å; L193-A197 PolarHBondContact O-N 2.92Å; L193-F286 HydrophobicContact CD1-CZ 4.34Å |
| 194 | I | 88 | Confident | 83.7 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 176.5 | -66.7 | 165.9 | 0 | 0 | 0 | 110.3 | M190 A197 L198 F248 L249 V256 F282 | M190-I194 VanDerWaalsContact O-CG1 3.31Å; M190-I194 WeakPolarHBondContact O-CG1 3.48Å; M190-I194 PolarHBondContact O-N 3.23Å; I194-A197 PolarHBondContact O-N 3.47Å; I194-L198 HydrophobicContact CG2-CD1 4.06Å; I194-L198 HydrophobicContact CG2-CG 4.49Å; I194-L198 WeakPolarHBondContact O-CB 3.43Å; I194-L198 WeakPolarHBondContact O-CG 3.47Å; I194-L198 PolarHBondContact O-N 3.41Å; I194-F248 HydrophobicContact CD1-CE1 3.92Å; I194-F248 HydrophobicContact CG1-CE1 4.48Å; I194-L249 HydrophobicContact CG2-CD2 4.1Å; I194-V256 HydrophobicContact CD1-CG2 4.36Å; I194-F282 HydrophobicContact CD1-CZ 4.06Å |
| 195 | G | 87.4 | Confident | 83.5 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 32% | 0.32 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L191 L192 A197 L198 V199 | L191-G195 PolarHBondContact O-N 3.27Å; L192-G195 PolarHBondContact O-N 3.46Å; G195-A197 VanDerWaalsContact C-N 3.32Å; G195-A197 PolarHBondContact O-N 2.84Å; G195-L198 PolarHBondContact O-N 2.94Å; G195-V199 VanDerWaalsContact O-CG2 3.3Å; G195-V199 WeakPolarHBondContact O-CG2 3.49Å; G195-V199 PolarHBondContact O-N 3.48Å |
| 196 | M | 88.1 | Confident | 83.2 | Confident | 131 Ų | 131 | 60.6 Ų | 60.6 | 65% | 0.645 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.9 | -40.6 | 175.3 | -72.6 | -60.9 | -65.1 | 0 | 0 | 111.6 | L192 V199 A200 | L192-M196 VanDerWaalsContact O-CB 3.3Å; L192-M196 WeakPolarHBondContact O-CB 3.31Å; L192-M196 WeakPolarHBondContact O-CG 3.17Å; L192-M196 PolarHBondContact O-N 2.64Å; M196-V199 PolarHBondContact O-N 2.95Å; M196-A200 WeakPolarHBondContact O-CB 3.38Å; M196-A200 PolarHBondContact O-N 3.42Å |
| 197 | A | 86.3 | Confident | 82.6 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.3 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L193 I194 G195 C201 L241 L245 | L193-A197 VanDerWaalsContact O-CB 3.32Å; L193-A197 WeakPolarHBondContact O-CB 3.41Å; L193-A197 PolarHBondContact O-N 2.92Å; I194-A197 PolarHBondContact O-N 3.47Å; G195-A197 VanDerWaalsContact C-N 3.32Å; G195-A197 PolarHBondContact O-N 2.84Å; A197-C201 WeakPolarHBondContact O-CB 3.47Å; A197-C201 PolarHBondContact O-N 3.34Å; A197-C201 PolarHBondContact O-SG 3.49Å; A197-L241 HydrophobicContact CB-CD2 4.45Å; A197-L245 HydrophobicContact CB-CD1 3.79Å; A197-L245 HydrophobicContact CB-CD2 4.1Å; A197-L245 HydrophobicContact CB-CG 4.42Å |
| 198 | L | 85.7 | Confident | 81.8 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 173.2 | -77.1 | 171.3 | 0 | 0 | 0 | 112.4 | I194 G195 C201 W202 V205 L249 | I194-L198 HydrophobicContact CG2-CD1 4.06Å; I194-L198 HydrophobicContact CG2-CG 4.49Å; I194-L198 WeakPolarHBondContact O-CB 3.43Å; I194-L198 WeakPolarHBondContact O-CG 3.47Å; I194-L198 PolarHBondContact O-N 3.41Å; G195-L198 PolarHBondContact O-N 2.94Å; L198-C201 CarbonylContact O-C 3.42Å; L198-C201 PolarHBondContact O-N 3.3Å; L198-W202 VanDerWaalsContact O-CA 3.25Å; L198-W202 WeakPolarHBondContact O-CA 3.44Å; L198-W202 PolarHBondContact O-N 3.25Å; L198-V205 HydrophobicContact CD2-CG2 4.41Å; L198-L249 HydrophobicContact CD1-CD1 4.16Å; L198-L249 HydrophobicContact CD2-CD1 3.88Å; L198-L249 HydrophobicContact CG-CD1 4.35Å |
| 199 | V | 86.3 | Confident | 80.9 | Confident | 106 Ų | 106 | 67 Ų | 67 | 64% | 0.642 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.4 | -45.3 | 176.1 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | G195 M196 C201 W202 | G195-V199 VanDerWaalsContact O-CG2 3.3Å; G195-V199 WeakPolarHBondContact O-CG2 3.49Å; G195-V199 PolarHBondContact O-N 3.48Å; M196-V199 PolarHBondContact O-N 2.95Å; V199-C201 PolarHBondContact O-N 2.85Å; V199-W202 WeakPolarHBondContact O-CB 3.4Å; V199-W202 PolarHBondContact O-N 3.46Å |
| 200 | A | 83.9 | Confident | 79.6 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 45% | 0.446 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.1 | -34.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M196 R238 | M196-A200 WeakPolarHBondContact O-CB 3.38Å; M196-A200 PolarHBondContact O-N 3.42Å; A200-R238 PolarHBondContact O-NE 3.06Å; A200-R238 PolarHBondContact O-NH2 3.04Å |
| 201 | C | 80.9 | Confident | 78.2 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 14.5 | -179.6 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | A197 L198 V199 K203 E204 V205 L241 T242 | A197-C201 WeakPolarHBondContact O-CB 3.47Å; A197-C201 PolarHBondContact O-N 3.34Å; A197-C201 PolarHBondContact O-SG 3.49Å; L198-C201 CarbonylContact O-C 3.42Å; L198-C201 PolarHBondContact O-N 3.3Å; V199-C201 PolarHBondContact O-N 2.85Å; C201-K203 VanDerWaalsContact C-N 3.31Å; C201-K203 PolarHBondContact O-N 2.89Å; C201-E204 WeakPolarHBondContact CA-OE2 3.31Å; C201-E204 PolarHBondContact O-N 3.44Å; C201-E204 VanDerWaalsContact O-N 3.08Å; C201-V205 HydrophobicContact CB-CG2 4.15Å; C201-V205 VanDerWaalsContact O-CG2 3.32Å; C201-V205 WeakPolarHBondContact O-CG2 3.34Å; C201-V205 PolarHBondContact O-N 3.16Å; C201-L241 VanDerWaalsContact SG-CD2 3.56Å; C201-T242 WeakPolarHBondContact CB-OG1 3.33Å |
| 202 | W | 80.9 | Confident | 76.4 | Confident | 159 Ų | 159 | 73.3 Ų | 73.3 | 60% | 0.602 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.7 | -40.5 | -166.4 | -179 | -97.4 | 0 | 0 | 0 | 113.5 | L198 V199 L206 | L198-W202 VanDerWaalsContact O-CA 3.25Å; L198-W202 WeakPolarHBondContact O-CA 3.44Å; L198-W202 PolarHBondContact O-N 3.25Å; V199-W202 WeakPolarHBondContact O-CB 3.4Å; V199-W202 PolarHBondContact O-N 3.46Å; W202-L206 WeakPolarHBondContact O-CB 3.36Å; W202-L206 PolarHBondContact O-N 3.1Å |
| 203 | K | 75.7 | Confident | 74.4 | Confident | 153 Ų | 153 | 78.5 Ų | 78.5 | 67% | 0.665 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 178.8 | -67.5 | -172 | 177.7 | -176.9 | 0 | 111.3 | C201 L206 M207 | C201-K203 VanDerWaalsContact C-N 3.31Å; C201-K203 PolarHBondContact O-N 2.89Å; K203-L206 PolarHBondContact O-N 3.21Å; K203-M207 WeakPolarHBondContact O-CB 3.08Å; K203-M207 WeakPolarHBondContact O-CG 3.29Å; K203-M207 PolarHBondContact O-N 3.22Å |
| 204 | E | 73.7 | Confident | 72.2 | Confident | 43 Ų | 43 | 80.6 Ų | 80.6 | 20% | 0.201 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 179.4 | -64.4 | 78.7 | -177.9 | 0 | 0 | 111.6 | C201 M207 M208 R238 T242 | C201-E204 WeakPolarHBondContact CA-OE2 3.31Å; C201-E204 PolarHBondContact O-N 3.44Å; C201-E204 VanDerWaalsContact O-N 3.08Å; E204-M207 PolarHBondContact O-N 3.1Å; E204-M208 WeakPolarHBondContact O-CB 3.5Å; E204-M208 WeakPolarHBondContact O-CG 3.45Å; E204-M208 PolarHBondContact O-N 2.73Å; E204-R238 VanDerWaalsContact CD-CZ 3.46Å; E204-R238 VanDerWaalsContact OE1-CD 3.29Å; E204-R238 WeakPolarHBondContact OE1-CD 3.25Å; E204-R238 IonicContact OE1-CZ 3.22Å; E204-R238 IonicContact OE1-NE 2.99Å; E204-R238 PolarHBondContact OE1-NE 3.44Å; E204-R238 VanDerWaalsContact OE1-NE 3.08Å; E204-R238 IonicContact OE1-NH1 3.26Å; E204-R238 PolarHBondContact OE1-NH1 3.05Å; E204-R238 IonicContact OE1-NH2 2.96Å; E204-R238 PolarHBondContact OE1-NH2 3.49Å; E204-R238 IonicContact OE2-CZ 3.08Å; E204-R238 IonicContact OE2-NE 3.66Å; E204-R238 PolarHBondContact OE2-NE 3.03Å; E204-R238 IonicContact OE2-NH2 3.19Å; E204-R238 PolarHBondContact OE2-NH2 3.44Å; E204-T242 HydrophobicContact CB-CG2 4.01Å; E204-T242 WeakPolarHBondContact CB-OG1 3.45Å |
| 205 | V | 70.5 | Confident | 70 | Confident | 25 Ų | 25 | 83.3 Ų | 83.3 | 15% | 0.152 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 173 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | L198 C201 M208 L209 T242 | L198-V205 HydrophobicContact CD2-CG2 4.41Å; C201-V205 HydrophobicContact CB-CG2 4.15Å; C201-V205 VanDerWaalsContact O-CG2 3.32Å; C201-V205 WeakPolarHBondContact O-CG2 3.34Å; C201-V205 PolarHBondContact O-N 3.16Å; V205-M208 PolarHBondContact O-N 3.23Å; V205-L209 VanDerWaalsContact O-CB 3.31Å; V205-L209 WeakPolarHBondContact O-CB 3Å; V205-L209 PolarHBondContact O-N 2.99Å; V205-T242 HydrophobicContact CG2-CG2 3.76Å |
| 206 | L | 73.1 | Confident | 67.4 | Low | 78 Ų | 78 | 86.5 Ų | 86.5 | 41% | 0.408 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | -179.7 | -171.7 | 69 | 0 | 0 | 0 | 111.4 | W202 K203 L209 L210 | W202-L206 WeakPolarHBondContact O-CB 3.36Å; W202-L206 PolarHBondContact O-N 3.1Å; K203-L206 PolarHBondContact O-N 3.21Å; L206-L209 PolarHBondContact O-N 3.38Å; L206-L210 HydrophobicContact CD1-CD1 4.35Å; L206-L210 HydrophobicContact CD2-CD1 4.48Å; L206-L210 HydrophobicContact CG-CD1 3.87Å; L206-L210 HydrophobicContact CG-CG 4.49Å; L206-L210 VanDerWaalsContact O-CB 3.28Å; L206-L210 WeakPolarHBondContact O-CB 3.43Å; L206-L210 WeakPolarHBondContact O-CD1 3.37Å; L206-L210 VanDerWaalsContact O-CG 3.23Å; L206-L210 WeakPolarHBondContact O-CG 3.5Å; L206-L210 PolarHBondContact O-N 3.47Å |
| 207 | M | 67.3 | Low | 65 | Low | 132 Ų | 132 | 87 Ų | 87 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 175.1 | -74.1 | -67 | -69.7 | 0 | 0 | 111.5 | K203 E204 S211 | K203-M207 WeakPolarHBondContact O-CB 3.08Å; K203-M207 WeakPolarHBondContact O-CG 3.29Å; K203-M207 PolarHBondContact O-N 3.22Å; E204-M207 PolarHBondContact O-N 3.1Å; M207-S211 WeakPolarHBondContact O-CB 2.88Å; M207-S211 PolarHBondContact O-N 2.97Å; M207-S211 PolarHBondContact O-OG 3.26Å; M207-S211 VanDerWaalsContact O-OG 3.08Å |
| 208 | M | 64.3 | Low | 62.6 | Low | 24 Ų | 24 | 90.4 Ų | 90.4 | 12% | 0.118 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 174.1 | -85.4 | -158.4 | 176.3 | 0 | 0 | 111.1 | E204 V205 L210 S211 V212 F225 T242 R243 I246 | E204-M208 WeakPolarHBondContact O-CB 3.5Å; E204-M208 WeakPolarHBondContact O-CG 3.45Å; E204-M208 PolarHBondContact O-N 2.73Å; V205-M208 PolarHBondContact O-N 3.23Å; M208-L210 PolarHBondContact O-N 2.95Å; M208-S211 WeakPolarHBondContact CA-OG 3.49Å; M208-S211 CarbonylContact O-C 3.59Å; M208-S211 WeakPolarHBondContact O-CA 3.27Å; M208-S211 PolarHBondContact O-N 2.99Å; M208-S211 VanDerWaalsContact O-N 3.09Å; M208-S211 PolarHBondContact O-OG 3.3Å; M208-V212 WeakPolarHBondContact O-CG2 3.32Å; M208-V212 PolarHBondContact O-N 2.78Å; M208-F225 HydrophobicContact CB-CD1 3.8Å; M208-F225 HydrophobicContact CB-CE1 3.88Å; M208-F225 HydrophobicContact CE-CB 4.34Å; M208-F225 HydrophobicContact CE-CD1 4.32Å; M208-F225 HydrophobicContact CE-CG 4.43Å; M208-F225 HydrophobicContact CG-CD1 3.69Å; M208-F225 HydrophobicContact CG-CE1 4.17Å; M208-F225 HydrophobicContact SD-CD1 3.43Å; M208-F225 WeakPolarHBondContact SD-CD1 3.32Å; M208-F225 HydrophobicContact SD-CE1 3.77Å; M208-F225 HydrophobicContact SD-CG 4.03Å; M208-T242 HydrophobicContact SD-CG2 4.07Å; M208-R243 HydrophobicContact CE-CG 3.73Å; M208-I246 HydrophobicContact CB-CD1 4.25Å; M208-I246 HydrophobicContact SD-CD1 3.54Å; M208-I246 VanDerWaalsContact SD-CD1 3.54Å |
| 209 | L | 65.5 | Low | 60.3 | Low | 122 Ų | 122 | 93.9 Ų | 93.9 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | -179.1 | -155 | 113.7 | 0 | 0 | 0 | 112.7 | V205 L206 S211 V212 | V205-L209 VanDerWaalsContact O-CB 3.31Å; V205-L209 WeakPolarHBondContact O-CB 3Å; V205-L209 PolarHBondContact O-N 2.99Å; L206-L209 PolarHBondContact O-N 3.38Å; L209-S211 VanDerWaalsContact C-N 3.35Å; L209-V212 WeakPolarHBondContact O-CB 3.25Å; L209-V212 PolarHBondContact O-N 2.9Å |
| 210 | L | 61.2 | Low | 57.8 | Low | 130 Ų | 130 | 95.6 Ų | 95.6 | 68% | 0.681 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.2 | -29 | 173.9 | -73 | 167.3 | 0 | 0 | 0 | 112.5 | L206 M208 | L206-L210 HydrophobicContact CD1-CD1 4.35Å; L206-L210 HydrophobicContact CD2-CD1 4.48Å; L206-L210 HydrophobicContact CG-CD1 3.87Å; L206-L210 HydrophobicContact CG-CG 4.49Å; L206-L210 VanDerWaalsContact O-CB 3.28Å; L206-L210 WeakPolarHBondContact O-CB 3.43Å; L206-L210 WeakPolarHBondContact O-CD1 3.37Å; L206-L210 VanDerWaalsContact O-CG 3.23Å; L206-L210 WeakPolarHBondContact O-CG 3.5Å; L206-L210 PolarHBondContact O-N 3.47Å; M208-L210 PolarHBondContact O-N 2.95Å |
| 211 | S | 54.7 | Low | 55.6 | Low | 46 Ų | 46 | 98.4 Ų | 98.4 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -85.4 | -6.3 | 175.7 | 76.6 | 0 | 0 | 0 | 0 | 113.9 | M207 M208 L209 R213 | M207-S211 WeakPolarHBondContact O-CB 2.88Å; M207-S211 PolarHBondContact O-N 2.97Å; M207-S211 PolarHBondContact O-OG 3.26Å; M207-S211 VanDerWaalsContact O-OG 3.08Å; M208-S211 WeakPolarHBondContact CA-OG 3.49Å; M208-S211 CarbonylContact O-C 3.59Å; M208-S211 WeakPolarHBondContact O-CA 3.27Å; M208-S211 PolarHBondContact O-N 2.99Å; M208-S211 VanDerWaalsContact O-N 3.09Å; M208-S211 PolarHBondContact O-OG 3.3Å; L209-S211 VanDerWaalsContact C-N 3.35Å; S211-R213 PolarHBondContact O-N 3.03Å |
| 212 | V | 51.3 | Low | 53.5 | Low | 45 Ų | 45 | 100.8 Ų | 100.8 | 27% | 0.273 | 53% | 0.532 | S | S | . | . | trans | -60.4 | 101.6 | 173.8 | 168.3 | 0 | 0 | 0 | 0 | 107.7 | M208 L209 L223 F225 | M208-V212 WeakPolarHBondContact O-CG2 3.32Å; M208-V212 PolarHBondContact O-N 2.78Å; L209-V212 WeakPolarHBondContact O-CB 3.25Å; L209-V212 PolarHBondContact O-N 2.9Å; V212-L223 HydrophobicContact CB-CD2 4.45Å; V212-L223 HydrophobicContact CG1-CD2 3.32Å; V212-L223 HydrophobicContact CG2-CD2 4.19Å; V212-F225 HydrophobicContact CG2-CE1 4.08Å | ||
| 213 | R | 47.6 | Very low | 51.7 | Low | 197 Ų | 197 | 97.9 Ų | 97.9 | 74% | 0.743 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.5 | 159.3 | -72.5 | -174.1 | 179.3 | -175.9 | 1 | 106.8 | S211 V215 | S211-R213 PolarHBondContact O-N 3.03Å; R213-V215 HydrophobicContact CB-CG2 4.03Å; R213-V215 PolarHBondContact O-N 3.12Å; R213-V215 VanDerWaalsContact O-N 3.1Å |
| 214 | I | 43.3 | Very low | 49.8 | Very low | 139 Ų | 139 | 94.5 Ų | 94.5 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 104.9 | 167.2 | -61.2 | 169.7 | 0 | 0 | 0 | 105.9 | ||
| 215 | V | 42.3 | Very low | 48.5 | Very low | 64 Ų | 64 | 95.4 Ų | 95.4 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.2 | 173.7 | -176.1 | 0 | 0 | 0 | 0 | 107.1 | R213 F217 V222 | R213-V215 HydrophobicContact CB-CG2 4.03Å; R213-V215 PolarHBondContact O-N 3.12Å; R213-V215 VanDerWaalsContact O-N 3.1Å; V215-F217 PolarHBondContact O-N 3.45Å; V215-V222 PolarHBondContact O-N 2.83Å |
| 216 | S | 32.8 | Very low | 46.7 | Very low | 97 Ų | 97 | 99.2 Ų | 99.2 | 68% | 0.678 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120.2 | 174.4 | 59.5 | 0 | 0 | 0 | 0 | 108.9 | ||
| 217 | F | 37.8 | Very low | 45.4 | Very low | 143 Ų | 143 | 102.3 Ų | 102.3 | 63% | 0.627 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.8 | 171.8 | -139.8 | -90.8 | 0 | 0 | 0 | 107.2 | V215 S219 Q220 V222 | V215-F217 PolarHBondContact O-N 3.45Å; F217-S219 VanDerWaalsContact C-N 3.31Å; F217-S219 PolarHBondContact O-N 3.37Å; F217-Q220 PolarHBondContact N-O 3.08Å; F217-Q220 PolarHBondContact O-N 3.42Å; F217-Q220 VanDerWaalsContact O-N 3.07Å; F217-V222 HydrophobicContact CB-CG2 4.32Å |
| 218 | A | 35.8 | Very low | 43.8 | Very low | 89 Ų | 89 | 99.6 Ų | 99.6 | 74% | 0.736 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.7 | 48.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q220 | A218-Q220 VanDerWaalsContact C-N 3.27Å; A218-Q220 PolarHBondContact O-N 2.75Å |
| 219 | S | 37.6 | Very low | 42.5 | Very low | 125 Ų | 125 | 102.6 Ų | 102.6 | 87% | 0.874 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.4 | 18 | 179 | 50.9 | 0 | 0 | 0 | 0 | 117 | F217 | F217-S219 VanDerWaalsContact C-N 3.31Å; F217-S219 PolarHBondContact O-N 3.37Å |
| 220 | Q | 34.6 | Very low | 41.2 | Very low | 142 Ų | 142 | 104.7 Ų | 104.7 | 66% | 0.664 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.9 | 166 | -67.8 | -169.2 | -24.8 | 0 | 0 | 111.1 | F217 A218 V222 | F217-Q220 PolarHBondContact N-O 3.08Å; F217-Q220 PolarHBondContact O-N 3.42Å; F217-Q220 VanDerWaalsContact O-N 3.07Å; A218-Q220 VanDerWaalsContact C-N 3.27Å; A218-Q220 PolarHBondContact O-N 2.75Å; Q220-V222 PolarHBondContact O-N 2.85Å |
| 221 | P | 35.9 | Very low | 40.3 | Very low | 113 Ų | 113 | 106 Ų | 106 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73 | 118.3 | 175.3 | 29 | -31.3 | 0 | 0 | 0 | 109.4 | ||
| 222 | V | 37.2 | Very low | 39.7 | Very low | 51 Ų | 51 | 109.7 Ų | 109.7 | 31% | 0.309 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.2 | 176.7 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | V215 F217 Q220 F321 | V215-V222 PolarHBondContact O-N 2.83Å; F217-V222 HydrophobicContact CB-CG2 4.32Å; Q220-V222 PolarHBondContact O-N 2.85Å; V222-F321 HydrophobicContact CG1-CZ 4.14Å |
| 223 | L | 43 | Very low | 39.7 | Very low | 97 Ų | 97 | 109.6 Ų | 109.6 | 51% | 0.508 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.8 | 121 | 178.7 | -67.4 | 166.1 | 0 | 0 | 0 | 109.8 | V212 F225 | V212-L223 HydrophobicContact CB-CD2 4.45Å; V212-L223 HydrophobicContact CG1-CD2 3.32Å; V212-L223 HydrophobicContact CG2-CD2 4.19Å; L223-F225 HydrophobicContact CB-CE2 4.19Å; L223-F225 HydrophobicContact CB-CZ 4.31Å |
| 224 | M | 37.1 | Very low | 39.9 | Very low | 82 Ų | 82 | 106 Ų | 106 | 40% | 0.404 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 133 | 177.5 | -163 | -175.1 | -170.5 | 0 | 0 | 110.7 | ||
| 225 | F | 45 | Very low | 40.4 | Very low | 62 Ų | 62 | 101.6 Ų | 101.6 | 27% | 0.272 | 60% | 0.596 | S | S | . | * | trans | -117.2 | 120.5 | 174.9 | -61.2 | -76.3 | 0 | 0 | 0 | 109.8 | M208 V212 L223 I246 | M208-F225 HydrophobicContact CB-CD1 3.8Å; M208-F225 HydrophobicContact CB-CE1 3.88Å; M208-F225 HydrophobicContact CE-CB 4.34Å; M208-F225 HydrophobicContact CE-CD1 4.32Å; M208-F225 HydrophobicContact CE-CG 4.43Å; M208-F225 HydrophobicContact CG-CD1 3.69Å; M208-F225 HydrophobicContact CG-CE1 4.17Å; M208-F225 HydrophobicContact SD-CD1 3.43Å; M208-F225 WeakPolarHBondContact SD-CD1 3.32Å; M208-F225 HydrophobicContact SD-CE1 3.77Å; M208-F225 HydrophobicContact SD-CG 4.03Å; V212-F225 HydrophobicContact CG2-CE1 4.08Å; L223-F225 HydrophobicContact CB-CE2 4.19Å; L223-F225 HydrophobicContact CB-CZ 4.31Å; F225-I246 HydrophobicContact CE1-CD1 4.31Å; F225-I246 HydrophobicContact CZ-CD1 4.49Å; F225-I246 HydrophobicContact CZ-CG2 4.12Å | ||
| 226 | S | 34.2 | Very low | 41.4 | Very low | 105 Ų | 105 | 99.6 Ų | 99.6 | 73% | 0.734 | 58% | 0.584 | S | S | * | * | trans | -77.5 | 135.2 | -179.7 | -164.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 227 | Y | 44.1 | Very low | 43.3 | Very low | 144 Ų | 144 | 99.1 Ų | 99.1 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | trans | -95.6 | 113.7 | -179.6 | -178.3 | -107.2 | 0 | 0 | 0 | 109.9 | ||||
| 228 | A | 34.6 | Very low | 45 | Very low | 75 Ų | 75 | 96.9 Ų | 96.9 | 62% | 0.62 | 56% | 0.555 | S | S | * | * | trans | -100.4 | 104.6 | 165 | 0 | 0 | 0 | 0 | 0 | 108.2 | E230 | A228-E230 PolarHBondContact O-N 3.46Å; A228-E230 VanDerWaalsContact O-N 3.1Å | ||
| 229 | S | 37.7 | Very low | 46.7 | Very low | 87 Ų | 87 | 95.1 Ų | 95.1 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | trans | -69.3 | 95.1 | 173.4 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 230 | E | 37.3 | Very low | 48.6 | Very low | 165 Ų | 165 | 90 Ų | 90 | 77% | 0.771 | 49% | 0.494 | S | S | * | . | trans | -120.5 | 116.3 | 160.8 | -80.7 | -169.5 | 166.8 | 0 | 0 | 110.8 | A228 N232 | A228-E230 PolarHBondContact O-N 3.46Å; A228-E230 VanDerWaalsContact O-N 3.1Å; E230-N232 PolarHBondContact O-N 3.4Å; E230-N232 VanDerWaalsContact O-N 3.14Å | ||
| 231 | N | 42.6 | Very low | 50.8 | Low | 159 Ų | 159 | 85 Ų | 85 | 85% | 0.85 | 47% | 0.472 | S | S | * | . | trans | -68.2 | 95 | -169.6 | -163.8 | 16.8 | 0 | 0 | 0 | 111.2 | ||||
| 232 | N | 42.6 | Very low | 52.8 | Low | 122 Ų | 122 | 79.7 Ų | 79.7 | 65% | 0.652 | 44% | 0.437 | S | S | * | . | trans | -159.8 | 122.9 | 165.3 | -92.6 | -31.3 | 0 | 0 | 0 | 109.4 | E230 T234 C235 C236 | E230-N232 PolarHBondContact O-N 3.4Å; E230-N232 VanDerWaalsContact O-N 3.14Å; N232-T234 PolarHBondContact O-N 2.93Å; N232-C235 HydrophobicContact CB-CB 4.25Å; N232-C235 WeakPolarHBondContact O-CA 3.18Å; N232-C235 WeakPolarHBondContact O-CB 3.22Å; N232-C235 PolarHBondContact O-N 2.71Å; N232-C236 PolarHBondContact O-N 3.17Å | ||
| 233 | G | 49.7 | Very low | 54.7 | Low | 44 Ų | 44 | 79.3 Ų | 79.3 | 45% | 0.454 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56 | -28.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R237 | G233-R237 PolarHBondContact O-N 3.3Å |
| 234 | T | 52.1 | Low | 56.6 | Low | 122 Ų | 122 | 74.8 Ų | 74.8 | 75% | 0.748 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -71.3 | -29.1 | 174.5 | -27.2 | 0 | 0 | 0 | 0 | 112.9 | N232 R238 | N232-T234 PolarHBondContact O-N 2.93Å; T234-R238 PolarHBondContact O-N 2.92Å |
| 235 | C | 54.2 | Low | 58.8 | Low | 46 Ų | 46 | 71.5 Ų | 71.5 | 31% | 0.311 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.8 | -44.3 | 176.3 | -165.7 | 0 | 0 | 0 | 0 | 110.7 | N232 R237 R238 Q239 | N232-C235 HydrophobicContact CB-CB 4.25Å; N232-C235 WeakPolarHBondContact O-CA 3.18Å; N232-C235 WeakPolarHBondContact O-CB 3.22Å; N232-C235 PolarHBondContact O-N 2.71Å; C235-R237 PolarHBondContact O-N 2.95Å; C235-R238 PolarHBondContact O-N 3.39Å; C235-Q239 WeakPolarHBondContact O-CB 3.4Å; C235-Q239 VanDerWaalsContact O-CG 3.22Å; C235-Q239 WeakPolarHBondContact O-CG 3.39Å; C235-Q239 PolarHBondContact O-N 3.48Å; C235-Q239 PolarHBondContact SG-NE2 2.96Å |
| 236 | C | 64.3 | Low | 60.5 | Low | 22 Ų | 22 | 70.8 Ų | 70.8 | 15% | 0.149 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 175.7 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | N232 L240 C339 | N232-C236 PolarHBondContact O-N 3.17Å; C236-L240 WeakPolarHBondContact O-CB 3.1Å; C236-L240 PolarHBondContact O-N 3.03Å; C236-C339 PolarHBondContact SG-O 3.21Å |
| 237 | R | 72.4 | Confident | 62.7 | Low | 87 Ų | 87 | 67.1 Ų | 67.1 | 33% | 0.328 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55.8 | -69.2 | 170 | -169.6 | 159.6 | -177.8 | -163.3 | 2.3 | 108 | G233 C235 Q239 L240 L241 W293 | G233-R237 PolarHBondContact O-N 3.3Å; C235-R237 PolarHBondContact O-N 2.95Å; R237-Q239 CarbonylContact O-C 3.57Å; R237-Q239 PolarHBondContact O-N 3.42Å; R237-L240 WeakPolarHBondContact O-CA 3.23Å; R237-L240 WeakPolarHBondContact O-CB 3.31Å; R237-L240 PolarHBondContact O-N 3.27Å; R237-L241 PolarHBondContact O-N 2.82Å; R237-W293 HydrophobicContact CB-CH2 3.88Å; R237-W293 HydrophobicContact CB-CZ2 4.47Å; R237-W293 HydrophobicContact CB-CZ3 4.19Å; R237-W293 HydrophobicContact CG-CD2 4.28Å; R237-W293 HydrophobicContact CG-CE3 4.1Å; R237-W293 HydrophobicContact CG-CH2 3.05Å; R237-W293 HydrophobicContact CG-CZ2 3.28Å; R237-W293 HydrophobicContact CG-CZ3 3.44Å; R237-W293 VanDerWaalsContact CG-CZ3 3.44Å; R237-W293 WeakPolarHBondContact O-CH2 3.48Å; R237-W293 WeakPolarHBondContact O-CZ3 3.21Å |
| 238 | R | 72.8 | Confident | 64.7 | Low | 95 Ų | 95 | 60.5 Ų | 60.5 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -49.4 | -36.2 | -174.9 | -161.2 | 167.9 | 173.5 | -156.8 | -17.6 | 116 | A200 E204 T234 C235 L241 T242 | A200-R238 PolarHBondContact O-NE 3.06Å; A200-R238 PolarHBondContact O-NH2 3.04Å; E204-R238 VanDerWaalsContact CD-CZ 3.46Å; E204-R238 VanDerWaalsContact OE1-CD 3.29Å; E204-R238 WeakPolarHBondContact OE1-CD 3.25Å; E204-R238 IonicContact OE1-CZ 3.22Å; E204-R238 IonicContact OE1-NE 2.99Å; E204-R238 PolarHBondContact OE1-NE 3.44Å; E204-R238 VanDerWaalsContact OE1-NE 3.08Å; E204-R238 IonicContact OE1-NH1 3.26Å; E204-R238 PolarHBondContact OE1-NH1 3.05Å; E204-R238 IonicContact OE1-NH2 2.96Å; E204-R238 PolarHBondContact OE1-NH2 3.49Å; E204-R238 IonicContact OE2-CZ 3.08Å; E204-R238 IonicContact OE2-NE 3.66Å; E204-R238 PolarHBondContact OE2-NE 3.03Å; E204-R238 IonicContact OE2-NH2 3.19Å; E204-R238 PolarHBondContact OE2-NH2 3.44Å; T234-R238 PolarHBondContact O-N 2.92Å; C235-R238 PolarHBondContact O-N 3.39Å; R238-L241 PolarHBondContact O-N 2.91Å; R238-T242 PolarHBondContact O-N 3.48Å; R238-T242 VanDerWaalsContact O-N 3.15Å; R238-T242 PolarHBondContact O-OG1 3.22Å |
| 239 | Q | 72.4 | Confident | 67.1 | Low | 52 Ų | 52 | 58.7 Ų | 58.7 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 173.6 | -70.3 | 176.6 | 6.4 | 0 | 0 | 113.8 | C235 R237 L241 T242 R243 | C235-Q239 WeakPolarHBondContact O-CB 3.4Å; C235-Q239 VanDerWaalsContact O-CG 3.22Å; C235-Q239 WeakPolarHBondContact O-CG 3.39Å; C235-Q239 PolarHBondContact O-N 3.48Å; C235-Q239 PolarHBondContact SG-NE2 2.96Å; R237-Q239 CarbonylContact O-C 3.57Å; R237-Q239 PolarHBondContact O-N 3.42Å; Q239-L241 PolarHBondContact O-N 3.34Å; Q239-T242 WeakPolarHBondContact O-CB 3.17Å; Q239-T242 PolarHBondContact O-N 3.17Å; Q239-R243 WeakPolarHBondContact O-CG 3.44Å; Q239-R243 PolarHBondContact O-N 3.24Å |
| 240 | L | 76.3 | Confident | 69.2 | Low | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 173.1 | 166.3 | 70.2 | 0 | 0 | 0 | 111.5 | C236 R237 T242 R243 L244 W293 C296 F318 | C236-L240 WeakPolarHBondContact O-CB 3.1Å; C236-L240 PolarHBondContact O-N 3.03Å; R237-L240 WeakPolarHBondContact O-CA 3.23Å; R237-L240 WeakPolarHBondContact O-CB 3.31Å; R237-L240 PolarHBondContact O-N 3.27Å; L240-T242 VanDerWaalsContact C-N 3.3Å; L240-T242 PolarHBondContact O-N 3.49Å; L240-R243 PolarHBondContact O-N 2.57Å; L240-L244 HydrophobicContact CD1-CD1 3.81Å; L240-L244 HydrophobicContact CD1-CG 3.99Å; L240-L244 HydrophobicContact CG-CD1 3.87Å; L240-L244 HydrophobicContact CG-CG 4.43Å; L240-L244 WeakPolarHBondContact O-CB 3.46Å; L240-L244 VanDerWaalsContact O-CG 3.27Å; L240-L244 WeakPolarHBondContact O-CG 2.94Å; L240-L244 PolarHBondContact O-N 2.94Å; L240-W293 HydrophobicContact CB-CE3 4.29Å; L240-W293 HydrophobicContact CB-CZ3 3.9Å; L240-W293 HydrophobicContact CD2-CE3 3.89Å; L240-W293 HydrophobicContact CD2-CZ3 4.21Å; L240-W293 HydrophobicContact CG-CE3 3.89Å; L240-W293 HydrophobicContact CG-CZ3 4.02Å; L240-C296 HydrophobicContact CD2-CB 3.57Å; L240-C296 WeakPolarHBondContact CD2-SG 3.38Å; L240-F318 HydrophobicContact CD1-CD1 4.46Å; L240-F318 HydrophobicContact CD1-CE1 3.16Å; L240-F318 HydrophobicContact CD1-CZ 3.28Å |
| 241 | L | 81.1 | Confident | 71.3 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 179.2 | 176.4 | 61.7 | 0 | 0 | 0 | 110.7 | A197 C201 R237 R238 Q239 L244 L245 W293 | A197-L241 HydrophobicContact CB-CD2 4.45Å; C201-L241 VanDerWaalsContact SG-CD2 3.56Å; R237-L241 PolarHBondContact O-N 2.82Å; R238-L241 PolarHBondContact O-N 2.91Å; Q239-L241 PolarHBondContact O-N 3.34Å; L241-L244 PolarHBondContact O-N 2.89Å; L241-L245 HydrophobicContact CD1-CD1 4.15Å; L241-L245 HydrophobicContact CD1-CG 4.24Å; L241-L245 HydrophobicContact CG-CD1 3.87Å; L241-L245 HydrophobicContact CG-CG 4.43Å; L241-L245 VanDerWaalsContact O-CB 3.26Å; L241-L245 WeakPolarHBondContact O-CB 3.43Å; L241-L245 WeakPolarHBondContact O-CG 3.29Å; L241-L245 PolarHBondContact O-N 3.49Å; L241-W293 HydrophobicContact CB-CD2 4.07Å; L241-W293 HydrophobicContact CB-CE3 3.6Å; L241-W293 HydrophobicContact CB-CH2 3.18Å; L241-W293 HydrophobicContact CB-CZ2 3.75Å; L241-W293 HydrophobicContact CB-CZ3 3.18Å; L241-W293 HydrophobicContact CD1-CD2 4.33Å; L241-W293 HydrophobicContact CD1-CE3 4.49Å; L241-W293 HydrophobicContact CD2-CH2 4.05Å; L241-W293 HydrophobicContact CD2-CZ2 3.79Å; L241-W293 HydrophobicContact CG-CH2 4.2Å; L241-W293 HydrophobicContact CG-CZ2 4.32Å; L241-W293 HydrophobicContact CG-CZ3 4.42Å |
| 242 | T | 78.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 176 | -54.9 | 0 | 0 | 0 | 0 | 111 | C201 E204 V205 M208 R238 Q239 L240 L245 I246 | C201-T242 WeakPolarHBondContact CB-OG1 3.33Å; E204-T242 HydrophobicContact CB-CG2 4.01Å; E204-T242 WeakPolarHBondContact CB-OG1 3.45Å; V205-T242 HydrophobicContact CG2-CG2 3.76Å; M208-T242 HydrophobicContact SD-CG2 4.07Å; R238-T242 PolarHBondContact O-N 3.48Å; R238-T242 VanDerWaalsContact O-N 3.15Å; R238-T242 PolarHBondContact O-OG1 3.22Å; Q239-T242 WeakPolarHBondContact O-CB 3.17Å; Q239-T242 PolarHBondContact O-N 3.17Å; L240-T242 VanDerWaalsContact C-N 3.3Å; L240-T242 PolarHBondContact O-N 3.49Å; T242-L245 PolarHBondContact O-N 2.88Å; T242-I246 HydrophobicContact CG2-CD1 3.95Å; T242-I246 VanDerWaalsContact O-CG1 3.29Å; T242-I246 WeakPolarHBondContact O-CG1 3.12Å; T242-I246 PolarHBondContact O-N 3.21Å |
| 243 | R | 77.3 | Confident | 75.4 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 177.9 | -71.7 | 168.9 | 175 | -124.8 | 5.6 | 112 | M208 Q239 L240 L245 I246 C247 C317 | M208-R243 HydrophobicContact CE-CG 3.73Å; Q239-R243 WeakPolarHBondContact O-CG 3.44Å; Q239-R243 PolarHBondContact O-N 3.24Å; L240-R243 PolarHBondContact O-N 2.57Å; R243-L245 PolarHBondContact O-N 3.32Å; R243-I246 PolarHBondContact O-N 3.07Å; R243-C247 PolarHBondContact O-N 3.45Å; R243-C247 PolarHBondContact O-SG 2.68Å; R243-C317 HydrophobicContact CB-CB 4.33Å; R243-C317 WeakPolarHBondContact CD-O 3.27Å; R243-C317 PolarHBondContact NH1-O 3.35Å |
| 244 | L | 82.3 | Confident | 77.1 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 177.2 | -70.4 | 171.2 | 0 | 0 | 0 | 111.6 | L240 L241 C247 F248 A289 Y292 W293 W314 F318 | L240-L244 HydrophobicContact CD1-CD1 3.81Å; L240-L244 HydrophobicContact CD1-CG 3.99Å; L240-L244 HydrophobicContact CG-CD1 3.87Å; L240-L244 HydrophobicContact CG-CG 4.43Å; L240-L244 WeakPolarHBondContact O-CB 3.46Å; L240-L244 VanDerWaalsContact O-CG 3.27Å; L240-L244 WeakPolarHBondContact O-CG 2.94Å; L240-L244 PolarHBondContact O-N 2.94Å; L241-L244 PolarHBondContact O-N 2.89Å; L244-C247 PolarHBondContact O-N 3.45Å; L244-F248 WeakPolarHBondContact O-CB 3.36Å; L244-F248 PolarHBondContact O-N 2.91Å; L244-A289 HydrophobicContact CB-CB 4.43Å; L244-A289 WeakPolarHBondContact CD1-O 3.3Å; L244-Y292 HydrophobicContact CD2-CD2 4.09Å; L244-W293 HydrophobicContact CD1-CB 4.32Å; L244-W314 HydrophobicContact CB-CZ3 4.27Å; L244-W314 HydrophobicContact CD2-CD2 4.41Å; L244-W314 HydrophobicContact CD2-CE3 3.46Å; L244-W314 VanDerWaalsContact CD2-CE3 3.46Å; L244-W314 HydrophobicContact CD2-CH2 4.42Å; L244-W314 HydrophobicContact CD2-CZ3 3.48Å; L244-W314 VanDerWaalsContact CD2-CZ3 3.48Å; L244-W314 HydrophobicContact CG-CZ3 4.49Å; L244-F318 HydrophobicContact CD2-CE2 4.18Å; L244-F318 HydrophobicContact CD2-CZ 3.86Å; L244-F318 HydrophobicContact CG-CZ 4.34Å |
| 245 | L | 83.8 | Confident | 78.7 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 175.7 | -87.1 | 164.3 | 0 | 0 | 0 | 112 | A197 L241 T242 R243 F248 L249 | A197-L245 HydrophobicContact CB-CD1 3.79Å; A197-L245 HydrophobicContact CB-CD2 4.1Å; A197-L245 HydrophobicContact CB-CG 4.42Å; L241-L245 HydrophobicContact CD1-CD1 4.15Å; L241-L245 HydrophobicContact CD1-CG 4.24Å; L241-L245 HydrophobicContact CG-CD1 3.87Å; L241-L245 HydrophobicContact CG-CG 4.43Å; L241-L245 VanDerWaalsContact O-CB 3.26Å; L241-L245 WeakPolarHBondContact O-CB 3.43Å; L241-L245 WeakPolarHBondContact O-CG 3.29Å; L241-L245 PolarHBondContact O-N 3.49Å; T242-L245 PolarHBondContact O-N 2.88Å; R243-L245 PolarHBondContact O-N 3.32Å; L245-F248 PolarHBondContact O-N 3.33Å; L245-L249 VanDerWaalsContact O-CB 3.27Å; L245-L249 WeakPolarHBondContact O-CB 3.35Å; L245-L249 VanDerWaalsContact O-CG 3.3Å; L245-L249 WeakPolarHBondContact O-CG 3.27Å; L245-L249 PolarHBondContact O-N 3.3Å |
| 246 | I | 81 | Confident | 80.3 | Confident | 47 Ų | 47 | 38.7 Ų | 38.7 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | -179.8 | -70.1 | 166.5 | 0 | 0 | 0 | 110.5 | M208 F225 T242 R243 G250 | M208-I246 HydrophobicContact CB-CD1 4.25Å; M208-I246 HydrophobicContact SD-CD1 3.54Å; M208-I246 VanDerWaalsContact SD-CD1 3.54Å; F225-I246 HydrophobicContact CE1-CD1 4.31Å; F225-I246 HydrophobicContact CZ-CD1 4.49Å; F225-I246 HydrophobicContact CZ-CG2 4.12Å; T242-I246 HydrophobicContact CG2-CD1 3.95Å; T242-I246 VanDerWaalsContact O-CG1 3.29Å; T242-I246 WeakPolarHBondContact O-CG1 3.12Å; T242-I246 PolarHBondContact O-N 3.21Å; R243-I246 PolarHBondContact O-N 3.07Å; I246-G250 PolarHBondContact O-N 3.49Å |
| 247 | C | 80.1 | Confident | 81.3 | Confident | 27 Ų | 27 | 42.5 Ų | 42.5 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 178 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | R243 L244 T251 V312 W314 C317 | R243-C247 PolarHBondContact O-N 3.45Å; R243-C247 PolarHBondContact O-SG 2.68Å; L244-C247 PolarHBondContact O-N 3.45Å; C247-T251 PolarHBondContact O-N 3.42Å; C247-T251 PolarHBondContact O-OG1 2.85Å; C247-V312 HydrophobicContact CB-CG1 3.96Å; C247-W314 HydrophobicContact CB-CE3 4.25Å; C247-W314 HydrophobicContact CB-CZ3 4.04Å; C247-C317 HydrophobicContact CB-CB 4.45Å; C247-C317 WeakPolarHBondContact CB-SG 3.43Å; C247-C317 WeakPolarHBondContact SG-CB 3.35Å; C247-C317 CovalentContact SG-SG 2.03Å; C247-C317 PolarHBondContact SG-SG 2.93Å |
| 248 | F | 86.3 | Confident | 81.9 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 2% | 0.022 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -52.7 | 176.5 | 176.7 | -101.1 | 0 | 0 | 0 | 111.4 | I194 L244 L245 G250 T251 W252 F282 F286 W314 | I194-F248 HydrophobicContact CD1-CE1 3.92Å; I194-F248 HydrophobicContact CG1-CE1 4.48Å; L244-F248 WeakPolarHBondContact O-CB 3.36Å; L244-F248 PolarHBondContact O-N 2.91Å; L245-F248 PolarHBondContact O-N 3.33Å; F248-G250 VanDerWaalsContact C-N 3.34Å; F248-G250 PolarHBondContact O-N 3.03Å; F248-T251 PolarHBondContact O-N 2.92Å; F248-W252 AromaticContact CD2-CD1 3.73Å; F248-W252 AromaticContact CE2-CD1 3.67Å; F248-W252 HydrophobicContact CE2-CG 4.28Å; F248-W252 HydrophobicContact CZ-CB 4.49Å; F248-W252 WeakPolarHBondContact O-CB 3.3Å; F248-W252 PolarHBondContact O-N 3.14Å; F248-F282 AromaticContact CE1-CE2 3.73Å; F248-F282 HydrophobicContact CE1-CE2 3.73Å; F248-F282 HydrophobicContact CE1-CZ 4.16Å; F248-F282 HydrophobicContact CE2-CD2 4.21Å; F248-F282 HydrophobicContact CE2-CE2 4.17Å; F248-F282 AromaticContact CZ-CD2 3.68Å; F248-F282 HydrophobicContact CZ-CD2 3.68Å; F248-F282 AromaticContact CZ-CE2 3.22Å; F248-F282 HydrophobicContact CZ-CE2 3.22Å; F248-F282 AromaticContact CZ-CZ 3.71Å; F248-F282 HydrophobicContact CZ-CZ 3.71Å; F248-F286 HydrophobicContact CE2-CB 3.82Å; F248-F286 HydrophobicContact CZ-CB 3.97Å; F248-F286 HydrophobicContact CZ-CD2 4.26Å; F248-W314 HydrophobicContact CB-CH2 4.25Å |
| 249 | L | 85.3 | Confident | 82.5 | Confident | 37 Ų | 37 | 38.5 Ų | 38.5 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | 179.3 | -70.6 | 171.7 | 0 | 0 | 0 | 112 | I194 L198 L245 T251 W252 A253 V256 | I194-L249 HydrophobicContact CG2-CD2 4.1Å; L198-L249 HydrophobicContact CD1-CD1 4.16Å; L198-L249 HydrophobicContact CD2-CD1 3.88Å; L198-L249 HydrophobicContact CG-CD1 4.35Å; L245-L249 VanDerWaalsContact O-CB 3.27Å; L245-L249 WeakPolarHBondContact O-CB 3.35Å; L245-L249 VanDerWaalsContact O-CG 3.3Å; L245-L249 WeakPolarHBondContact O-CG 3.27Å; L245-L249 PolarHBondContact O-N 3.3Å; L249-T251 PolarHBondContact O-N 3.1Å; L249-W252 PolarHBondContact O-N 3.15Å; L249-A253 WeakPolarHBondContact O-CA 3.42Å; L249-A253 WeakPolarHBondContact O-CB 3.4Å; L249-A253 PolarHBondContact O-N 3.18Å; L249-V256 HydrophobicContact CD2-CG2 4.24Å |
| 250 | G | 80.6 | Confident | 83.1 | Confident | 66 Ų | 66 | 40 Ų | 40 | 68% | 0.68 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -58.7 | -31.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I246 F248 | I246-G250 PolarHBondContact O-N 3.49Å; F248-G250 VanDerWaalsContact C-N 3.34Å; F248-G250 PolarHBondContact O-N 3.03Å |
| 251 | T | 81.4 | Confident | 83.5 | Confident | 58 Ų | 58 | 43.2 Ų | 43.2 | 36% | 0.356 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -90.8 | -41 | 178.1 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | C247 F248 L249 F311 V312 | C247-T251 PolarHBondContact O-N 3.42Å; C247-T251 PolarHBondContact O-OG1 2.85Å; F248-T251 PolarHBondContact O-N 2.92Å; L249-T251 PolarHBondContact O-N 3.1Å; T251-F311 HydrophobicContact CG2-CB 4.1Å; T251-V312 HydrophobicContact CG2-CG2 4.26Å |
| 252 | W | 86.5 | Confident | 83.5 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 6% | 0.064 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -105.2 | 4.1 | -169.3 | -67.4 | 107.4 | 0 | 0 | 0 | 114.8 | F248 L249 P254 F255 V256 P278 Y281 F282 S285 F311 | F248-W252 AromaticContact CD2-CD1 3.73Å; F248-W252 AromaticContact CE2-CD1 3.67Å; F248-W252 HydrophobicContact CE2-CG 4.28Å; F248-W252 HydrophobicContact CZ-CB 4.49Å; F248-W252 WeakPolarHBondContact O-CB 3.3Å; F248-W252 PolarHBondContact O-N 3.14Å; L249-W252 PolarHBondContact O-N 3.15Å; W252-P254 VanDerWaalsContact C-CD 3.48Å; W252-F255 HydrophobicContact CE3-CB 4Å; W252-F255 HydrophobicContact CE3-CD1 4.37Å; W252-F255 HydrophobicContact CE3-CG 4.28Å; W252-F255 WeakPolarHBondContact O-CB 3.42Å; W252-F255 PolarHBondContact O-N 2.91Å; W252-V256 WeakPolarHBondContact O-CG2 3.38Å; W252-V256 PolarHBondContact O-N 3.1Å; W252-P278 WeakPolarHBondContact CH2-O 2.94Å; W252-Y281 VanDerWaalsContact CZ2-C 3.46Å; W252-F282 HydrophobicContact CB-CD2 3.74Å; W252-F282 HydrophobicContact CB-CE2 3.9Å; W252-F282 HydrophobicContact CD2-CB 4.12Å; W252-F282 AromaticContact CD2-CD2 3.71Å; W252-F282 HydrophobicContact CD2-CD2 3.71Å; W252-F282 HydrophobicContact CD2-CG 4.43Å; W252-F282 HydrophobicContact CE3-CB 3.85Å; W252-F282 AromaticContact CE3-CD2 3.82Å; W252-F282 HydrophobicContact CE3-CD2 3.82Å; W252-F282 HydrophobicContact CE3-CG 4.33Å; W252-F282 AromaticContact CG-CD2 3.68Å; W252-F282 HydrophobicContact CG-CD2 3.68Å; W252-F282 HydrophobicContact CG-CE2 4.3Å; W252-F282 HydrophobicContact CH2-CB 4.1Å; W252-F282 HydrophobicContact CZ2-CB 4.34Å; W252-F282 HydrophobicContact CZ3-CB 3.83Å; W252-S285 PolarHBondContact NE1-OG 3.16Å; W252-F311 HydrophobicContact CH2-CD1 4.4Å; W252-F311 HydrophobicContact CH2-CG 4.39Å; W252-F311 HydrophobicContact CZ2-CB 4.03Å; W252-F311 HydrophobicContact CZ2-CD1 4.18Å; W252-F311 HydrophobicContact CZ2-CD2 4.06Å; W252-F311 AromaticContact CZ2-CG 3.81Å; W252-F311 HydrophobicContact CZ2-CG 3.81Å |
| 253 | A | 85.8 | Confident | 83.7 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 30% | 0.298 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -51.1 | -45.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | L249 F255 V256 L257 | L249-A253 WeakPolarHBondContact O-CA 3.42Å; L249-A253 WeakPolarHBondContact O-CB 3.4Å; L249-A253 PolarHBondContact O-N 3.18Å; A253-F255 PolarHBondContact O-N 3.41Å; A253-V256 PolarHBondContact O-N 3.01Å; A253-L257 WeakPolarHBondContact O-CB 3.34Å; A253-L257 VanDerWaalsContact O-CG 3.3Å; A253-L257 WeakPolarHBondContact O-CG 3.45Å; A253-L257 PolarHBondContact O-N 2.9Å |
| 254 | P | 85.4 | Confident | 84 | Confident | 96 Ų | 96 | 47.2 Ų | 47.2 | 62% | 0.623 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57.8 | -38.3 | 177.2 | -25.1 | 35 | 0 | 0 | 0 | 112.7 | W252 L258 | W252-P254 VanDerWaalsContact C-CD 3.48Å; P254-L258 WeakPolarHBondContact O-CB 3.26Å; P254-L258 PolarHBondContact O-N 3.24Å |
| 255 | F | 84.9 | Confident | 84 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -73.1 | -39.3 | 179.8 | -163.9 | -113.5 | 0 | 0 | 0 | 112.4 | W252 A253 L258 Q259 W279 F282 | W252-F255 HydrophobicContact CE3-CB 4Å; W252-F255 HydrophobicContact CE3-CD1 4.37Å; W252-F255 HydrophobicContact CE3-CG 4.28Å; W252-F255 WeakPolarHBondContact O-CB 3.42Å; W252-F255 PolarHBondContact O-N 2.91Å; A253-F255 PolarHBondContact O-N 3.41Å; F255-L258 PolarHBondContact O-N 3.07Å; F255-Q259 VanDerWaalsContact CE1-NE2 3.29Å; F255-Q259 WeakPolarHBondContact O-CG 3.31Å; F255-Q259 PolarHBondContact O-N 3.26Å; F255-W279 HydrophobicContact CE1-CD2 4.31Å; F255-W279 AromaticContact CE1-CE3 3.4Å; F255-W279 HydrophobicContact CE1-CE3 3.4Å; F255-W279 VanDerWaalsContact CE1-CE3 3.4Å; F255-W279 AromaticContact CE1-CZ3 3.89Å; F255-W279 HydrophobicContact CE1-CZ3 3.89Å; F255-W279 HydrophobicContact CZ-CB 4.02Å; F255-W279 HydrophobicContact CZ-CD2 4.3Å; F255-W279 AromaticContact CZ-CE3 3.48Å; F255-W279 HydrophobicContact CZ-CE3 3.48Å; F255-W279 VanDerWaalsContact CZ-CE3 3.48Å; F255-W279 HydrophobicContact CZ-CZ3 4.29Å; F255-F282 HydrophobicContact CD1-CB 3.9Å; F255-F282 HydrophobicContact CD1-CD1 4.07Å; F255-F282 AromaticContact CD1-CD2 3.65Å; F255-F282 HydrophobicContact CD1-CD2 3.65Å; F255-F282 HydrophobicContact CD1-CE2 4.12Å; F255-F282 AromaticContact CD1-CG 3.61Å; F255-F282 HydrophobicContact CD1-CG 3.61Å; F255-F282 HydrophobicContact CE1-CB 3.77Å; F255-F282 AromaticContact CE1-CD1 3.89Å; F255-F282 HydrophobicContact CE1-CD1 3.89Å; F255-F282 HydrophobicContact CE1-CD2 4.25Å; F255-F282 AromaticContact CE1-CG 3.72Å; F255-F282 HydrophobicContact CE1-CG 3.72Å |
| 256 | V | 87.1 | Confident | 83.4 | Confident | 15 Ų | 15 | 55 Ų | 55 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 111 | L191 I194 L249 W252 A253 Q259 I260 F282 | L191-V256 HydrophobicContact CD2-CG1 3.76Å; I194-V256 HydrophobicContact CD1-CG2 4.36Å; L249-V256 HydrophobicContact CD2-CG2 4.24Å; W252-V256 WeakPolarHBondContact O-CG2 3.38Å; W252-V256 PolarHBondContact O-N 3.1Å; A253-V256 PolarHBondContact O-N 3.01Å; V256-Q259 PolarHBondContact O-N 3.28Å; V256-I260 HydrophobicContact CG1-CD1 4.21Å; V256-I260 WeakPolarHBondContact O-CG1 3.4Å; V256-I260 PolarHBondContact O-N 2.87Å; V256-F282 HydrophobicContact CG2-CE2 3.76Å; V256-F282 HydrophobicContact CG2-CZ 4.07Å |
| 257 | L | 86.8 | Confident | 82.9 | Confident | 103 Ų | 103 | 55.1 Ų | 55.1 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.7 | -73 | 171.9 | 0 | 0 | 0 | 111.5 | A253 Q259 I260 I261 | A253-L257 WeakPolarHBondContact O-CB 3.34Å; A253-L257 VanDerWaalsContact O-CG 3.3Å; A253-L257 WeakPolarHBondContact O-CG 3.45Å; A253-L257 PolarHBondContact O-N 2.9Å; L257-Q259 VanDerWaalsContact C-N 3.31Å; L257-Q259 PolarHBondContact O-N 3.42Å; L257-I260 PolarHBondContact O-N 2.98Å; L257-I261 VanDerWaalsContact O-CG1 3.31Å; L257-I261 WeakPolarHBondContact O-CG1 3.45Å; L257-I261 PolarHBondContact O-N 2.93Å |
| 258 | L | 84.5 | Confident | 82.3 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 45% | 0.45 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58 | -44 | 175.2 | -179.2 | 63.9 | 0 | 0 | 0 | 111.6 | P254 F255 I260 I261 I262 | P254-L258 WeakPolarHBondContact O-CB 3.26Å; P254-L258 PolarHBondContact O-N 3.24Å; F255-L258 PolarHBondContact O-N 3.07Å; L258-I260 PolarHBondContact O-N 3.39Å; L258-I261 PolarHBondContact O-N 3.21Å; L258-I262 HydrophobicContact CD1-CD1 4.04Å; L258-I262 HydrophobicContact CD1-CG1 4.32Å; L258-I262 HydrophobicContact CG-CD1 3.86Å; L258-I262 VanDerWaalsContact O-CG1 3.26Å; L258-I262 WeakPolarHBondContact O-CG1 3.27Å; L258-I262 PolarHBondContact O-N 3.12Å |
| 259 | Q | 85.3 | Confident | 81.4 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 5% | 0.051 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 176.3 | -71.9 | 174.4 | 50.8 | 0 | 0 | 112.3 | L191 F255 V256 L257 I261 I262 L263 W279 | L191-Q259 HydrophobicContact CD1-CB 4.35Å; F255-Q259 VanDerWaalsContact CE1-NE2 3.29Å; F255-Q259 WeakPolarHBondContact O-CG 3.31Å; F255-Q259 PolarHBondContact O-N 3.26Å; V256-Q259 PolarHBondContact O-N 3.28Å; L257-Q259 VanDerWaalsContact C-N 3.31Å; L257-Q259 PolarHBondContact O-N 3.42Å; Q259-I261 VanDerWaalsContact C-N 3.34Å; Q259-I261 PolarHBondContact O-N 3.26Å; Q259-I262 PolarHBondContact O-N 3.49Å; Q259-L263 WeakPolarHBondContact O-CB 3.45Å; Q259-L263 VanDerWaalsContact O-CG 3.27Å; Q259-L263 WeakPolarHBondContact O-CG 3.4Å; Q259-L263 PolarHBondContact O-N 3.14Å; Q259-W279 HydrophobicContact CG-CZ3 4.34Å |
| 260 | I | 85.4 | Confident | 80.6 | Confident | 83 Ų | 83 | 63.2 Ų | 63.2 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 177.1 | -67 | 165.5 | 0 | 0 | 0 | 110.3 | L191 V256 L257 L258 L263 S264 | L191-I260 HydrophobicContact CD1-CG1 3.94Å; L191-I260 HydrophobicContact CD2-CD1 4.47Å; L191-I260 HydrophobicContact CD2-CG1 4Å; V256-I260 HydrophobicContact CG1-CD1 4.21Å; V256-I260 WeakPolarHBondContact O-CG1 3.4Å; V256-I260 PolarHBondContact O-N 2.87Å; L257-I260 PolarHBondContact O-N 2.98Å; L258-I260 PolarHBondContact O-N 3.39Å; I260-L263 PolarHBondContact O-N 3.38Å; I260-S264 VanDerWaalsContact O-CB 3.27Å; I260-S264 WeakPolarHBondContact O-CB 3.32Å; I260-S264 PolarHBondContact O-N 3.24Å; I260-S264 PolarHBondContact O-OG 2.96Å |
| 261 | I | 84.6 | Confident | 80.1 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 45% | 0.451 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59 | -51.3 | 179.1 | -70.2 | 166.5 | 0 | 0 | 0 | 110.2 | L257 L258 Q259 L263 S264 L265 | L257-I261 VanDerWaalsContact O-CG1 3.31Å; L257-I261 WeakPolarHBondContact O-CG1 3.45Å; L257-I261 PolarHBondContact O-N 2.93Å; L258-I261 PolarHBondContact O-N 3.21Å; Q259-I261 VanDerWaalsContact C-N 3.34Å; Q259-I261 PolarHBondContact O-N 3.26Å; I261-L263 PolarHBondContact O-N 3.5Å; I261-S264 WeakPolarHBondContact CA-OG 3.3Å; I261-S264 PolarHBondContact O-N 3.41Å; I261-S264 PolarHBondContact O-OG 2.96Å; I261-L265 HydrophobicContact CG2-CD1 3.45Å; I261-L265 VanDerWaalsContact CG2-CD1 3.45Å; I261-L265 HydrophobicContact CG2-CG 4.46Å; I261-L265 WeakPolarHBondContact O-CB 3.3Å; I261-L265 WeakPolarHBondContact O-CD1 3.24Å; I261-L265 WeakPolarHBondContact O-CG 3.47Å; I261-L265 PolarHBondContact O-N 3.31Å |
| 262 | I | 81.6 | Confident | 79.5 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.4 | -47.8 | -179.9 | -69.9 | 171.4 | 0 | 0 | 0 | 111.4 | L258 Q259 S264 L265 G266 A267 I269 | L258-I262 HydrophobicContact CD1-CD1 4.04Å; L258-I262 HydrophobicContact CD1-CG1 4.32Å; L258-I262 HydrophobicContact CG-CD1 3.86Å; L258-I262 VanDerWaalsContact O-CG1 3.26Å; L258-I262 WeakPolarHBondContact O-CG1 3.27Å; L258-I262 PolarHBondContact O-N 3.12Å; Q259-I262 PolarHBondContact O-N 3.49Å; I262-S264 PolarHBondContact O-N 2.97Å; I262-L265 PolarHBondContact O-N 3.22Å; I262-G266 PolarHBondContact O-N 3.06Å; I262-G266 VanDerWaalsContact O-N 3.14Å; I262-A267 HydrophobicContact CG2-CB 4.19Å; I262-A267 PolarHBondContact O-N 3.1Å; I262-A267 VanDerWaalsContact O-N 3.1Å; I262-I269 HydrophobicContact CD1-CD1 4.07Å; I262-I269 HydrophobicContact CG2-CD1 3.83Å; I262-I269 HydrophobicContact CG2-CG1 3.94Å |
| 263 | L | 82.6 | Confident | 78.9 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -39.7 | 179.6 | -68.4 | 173.3 | 0 | 0 | 0 | 111.8 | Y184 L191 Q259 I260 I261 L265 G266 | Y184-L263 HydrophobicContact CD2-CD2 3.24Å; Y184-L263 HydrophobicContact CE1-CD2 4.46Å; Y184-L263 HydrophobicContact CE2-CD2 3.2Å; Y184-L263 HydrophobicContact CE2-CG 4.43Å; Y184-L263 HydrophobicContact CG-CD2 3.93Å; L191-L263 HydrophobicContact CD1-CD1 3.32Å; Q259-L263 WeakPolarHBondContact O-CB 3.45Å; Q259-L263 VanDerWaalsContact O-CG 3.27Å; Q259-L263 WeakPolarHBondContact O-CG 3.4Å; Q259-L263 PolarHBondContact O-N 3.14Å; I260-L263 PolarHBondContact O-N 3.38Å; I261-L263 PolarHBondContact O-N 3.5Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-G266 PolarHBondContact O-N 2.88Å |
| 264 | S | 82.1 | Confident | 78.3 | Confident | 94 Ų | 94 | 57.4 Ų | 57.4 | 66% | 0.657 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.4 | -34.5 | 178.6 | 70.9 | 0 | 0 | 0 | 0 | 113.1 | I260 I261 I262 G266 | I260-S264 VanDerWaalsContact O-CB 3.27Å; I260-S264 WeakPolarHBondContact O-CB 3.32Å; I260-S264 PolarHBondContact O-N 3.24Å; I260-S264 PolarHBondContact O-OG 2.96Å; I261-S264 WeakPolarHBondContact CA-OG 3.3Å; I261-S264 PolarHBondContact O-N 3.41Å; I261-S264 PolarHBondContact O-OG 2.96Å; I262-S264 PolarHBondContact O-N 2.97Å; S264-G266 VanDerWaalsContact C-N 3.26Å; S264-G266 PolarHBondContact O-N 3.42Å |
| 265 | L | 82.6 | Confident | 78.1 | Confident | 128 Ų | 128 | 52.9 Ų | 52.9 | 67% | 0.67 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -79.2 | -10.2 | 176.5 | -73.2 | 161.7 | 0 | 0 | 0 | 112.3 | I261 I262 L263 A267 | I261-L265 HydrophobicContact CG2-CD1 3.45Å; I261-L265 VanDerWaalsContact CG2-CD1 3.45Å; I261-L265 HydrophobicContact CG2-CG 4.46Å; I261-L265 WeakPolarHBondContact O-CB 3.3Å; I261-L265 WeakPolarHBondContact O-CD1 3.24Å; I261-L265 WeakPolarHBondContact O-CG 3.47Å; I261-L265 PolarHBondContact O-N 3.31Å; I262-L265 PolarHBondContact O-N 3.22Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L265-A267 HydrophobicContact CB-CB 4.3Å; L265-A267 PolarHBondContact O-N 3.39Å |
| 266 | G | 72.3 | Confident | 78.1 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 26.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I262 L263 S264 Q268 | I262-G266 PolarHBondContact O-N 3.06Å; I262-G266 VanDerWaalsContact O-N 3.14Å; L263-G266 PolarHBondContact O-N 2.88Å; S264-G266 VanDerWaalsContact C-N 3.26Å; S264-G266 PolarHBondContact O-N 3.42Å; G266-Q268 PolarHBondContact O-N 3.19Å |
| 267 | A | 70.1 | Confident | 77.9 | Confident | 49 Ų | 49 | 51.7 Ų | 51.7 | 41% | 0.405 | 29% | 0.294 | S | S | . | . | trans | -66.7 | 126.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I262 L265 I269 | I262-A267 HydrophobicContact CG2-CB 4.19Å; I262-A267 PolarHBondContact O-N 3.1Å; I262-A267 VanDerWaalsContact O-N 3.1Å; L265-A267 HydrophobicContact CB-CB 4.3Å; L265-A267 PolarHBondContact O-N 3.39Å; A267-I269 PolarHBondContact O-N 3.47Å | ||
| 268 | Q | 66.8 | Low | 77.8 | Confident | 152 Ų | 152 | 47.4 Ų | 47.4 | 71% | 0.71 | 27% | 0.272 | S | S | * | . | trans | -79.4 | 107.5 | 178.1 | -64.6 | -179.2 | 4.1 | 0 | 0 | 108.8 | V179 G266 | V179-Q268 HydrophobicContact CG1-CB 3.91Å; V179-Q268 HydrophobicContact CG1-CG 4.08Å; V179-Q268 HydrophobicContact CG2-CB 4.1Å; G266-Q268 PolarHBondContact O-N 3.19Å | ||
| 269 | I | 67.8 | Low | 77.9 | Confident | 55 Ų | 55 | 44 Ų | 44 | 28% | 0.282 | 25% | 0.253 | S | S | . | . | trans | -77 | 128.1 | 171.1 | -59.2 | 172.8 | 0 | 0 | 0 | 107.8 | I262 A267 M273 | I262-I269 HydrophobicContact CD1-CD1 4.07Å; I262-I269 HydrophobicContact CG2-CD1 3.83Å; I262-I269 HydrophobicContact CG2-CG1 3.94Å; A267-I269 PolarHBondContact O-N 3.47Å; I269-M273 HydrophobicContact CG2-CB 3.86Å | ||
| 270 | P | 69.6 | Low | 77.8 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | trans | -63.7 | 139.7 | 173.5 | -19.7 | 31.4 | 0 | 0 | 0 | 112 | F177 Y272 M273 | F177-P270 HydrophobicContact CB-CB 4.4Å; F177-P270 HydrophobicContact CG-CB 4.49Å; P270-Y272 VanDerWaalsContact C-N 3.27Å; P270-Y272 HydrophobicContact CB-CD1 3.62Å; P270-Y272 HydrophobicContact CB-CE1 3.11Å; P270-Y272 HydrophobicContact CB-CE2 4.38Å; P270-Y272 HydrophobicContact CB-CG 4.42Å; P270-Y272 HydrophobicContact CG-CE1 3.93Å; P270-Y272 PolarHBondContact O-N 3.31Å; P270-Y272 VanDerWaalsContact O-N 3.15Å; P270-M273 WeakPolarHBondContact O-CB 3.47Å; P270-M273 PolarHBondContact O-N 2.91Å | ||
| 271 | A | 69.8 | Low | 77.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -62.8 | -26.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y178 M273 E274 | Y178-A271 HydrophobicContact CD1-CB 3.64Å; Y178-A271 HydrophobicContact CG-CB 4.36Å; Y178-A271 WeakPolarHBondContact O-CB 3.43Å; Y178-A271 PolarHBondContact O-N 3.21Å; A271-M273 PolarHBondContact O-N 2.72Å; A271-E274 VanDerWaalsContact CA-CD 3.46Å; A271-E274 VanDerWaalsContact CA-OE1 3.27Å; A271-E274 WeakPolarHBondContact CA-OE1 3.2Å; A271-E274 HydrophobicContact CB-CG 4.39Å; A271-E274 WeakPolarHBondContact CB-OE1 3.34Å; A271-E274 WeakPolarHBondContact O-CB 3.37Å; A271-E274 WeakPolarHBondContact O-CG 3.4Å; A271-E274 PolarHBondContact O-N 3.44Å; A271-E274 VanDerWaalsContact O-N 3.1Å |
| 272 | Y | 67.4 | Low | 77.9 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -65.8 | -15.7 | 173.7 | 63.7 | -95.6 | 0 | 0 | 0 | 113.3 | L28 I31 M32 K35 T98 S102 Y105 F177 P270 | L28-Y272 HydrophobicContact CD1-CE1 3.95Å; L28-Y272 HydrophobicContact CD1-CE2 3.94Å; I31-Y272 HydrophobicContact CG2-CE2 3.73Å; M32-Y272 HydrophobicContact SD-CD2 3.5Å; M32-Y272 WeakPolarHBondContact SD-CD2 3.33Å; M32-Y272 HydrophobicContact SD-CE2 3.9Å; M32-Y272 HydrophobicContact SD-CG 4.44Å; K35-Y272 PolarHBondContact NZ-O 3.07Å; T98-Y272 HydrophobicContact CG2-CD1 3.7Å; T98-Y272 HydrophobicContact CG2-CE1 4.37Å; T98-Y272 HydrophobicContact CG2-CG 4.09Å; S102-Y272 WeakPolarHBondContact OG-CB 3.43Å; S102-Y272 PolarHBondContact OG-N 3.21Å; S102-Y272 VanDerWaalsContact OG-N 3.14Å; Y105-Y272 WeakPolarHBondContact CE2-O 3.49Å; F177-Y272 HydrophobicContact CD1-CD1 4.01Å; F177-Y272 AromaticContact CD1-CE1 3.41Å; F177-Y272 HydrophobicContact CD1-CE1 3.41Å; F177-Y272 VanDerWaalsContact CD1-CE1 3.41Å; F177-Y272 HydrophobicContact CE1-CD1 4.31Å; F177-Y272 AromaticContact CE1-CE1 3.48Å; F177-Y272 HydrophobicContact CE1-CE1 3.48Å; F177-Y272 VanDerWaalsContact CE1-CE1 3.48Å; F177-Y272 HydrophobicContact CG-CE1 4.33Å; F177-Y272 HydrophobicContact CZ-CE1 4.47Å; P270-Y272 VanDerWaalsContact C-N 3.27Å; P270-Y272 HydrophobicContact CB-CD1 3.62Å; P270-Y272 HydrophobicContact CB-CE1 3.11Å; P270-Y272 HydrophobicContact CB-CE2 4.38Å; P270-Y272 HydrophobicContact CB-CG 4.42Å; P270-Y272 HydrophobicContact CG-CE1 3.93Å; P270-Y272 PolarHBondContact O-N 3.31Å; P270-Y272 VanDerWaalsContact O-N 3.15Å |
| 273 | M | 73.6 | Confident | 78 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 23% | 0.232 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -93.7 | -7.8 | 175.1 | -65.1 | -63.2 | -79.7 | 0 | 0 | 113.6 | I31 K35 I269 P270 A271 M275 N276 | I31-M273 HydrophobicContact CG2-CE 3.7Å; I31-M273 HydrophobicContact CG2-CG 4.04Å; I31-M273 HydrophobicContact CG2-SD 3.47Å; I31-M273 WeakPolarHBondContact CG2-SD 3.39Å; K35-M273 HydrophobicContact CB-CE 4.2Å; K35-M273 HydrophobicContact CB-SD 4.03Å; K35-M273 HydrophobicContact CD-SD 3.9Å; K35-M273 HydrophobicContact CG-SD 4.19Å; I269-M273 HydrophobicContact CG2-CB 3.86Å; P270-M273 WeakPolarHBondContact O-CB 3.47Å; P270-M273 PolarHBondContact O-N 2.91Å; A271-M273 PolarHBondContact O-N 2.72Å; M273-M275 PolarHBondContact O-N 3.15Å; M273-N276 PolarHBondContact O-ND2 3.43Å; M273-N276 VanDerWaalsContact O-ND2 3.1Å |
| 274 | E | 74 | Confident | 78.1 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -66.4 | -39.7 | -171 | -73.3 | 175.3 | -171 | 0 | 0 | 113.4 | S180 A271 | S180-E274 VanDerWaalsContact CB-CD 3.47Å; S180-E274 WeakPolarHBondContact CB-OE1 3.28Å; S180-E274 VanDerWaalsContact CB-OE2 3.31Å; S180-E274 WeakPolarHBondContact CB-OE2 3.36Å; S180-E274 PolarHBondContact N-OE1 2.8Å; A271-E274 VanDerWaalsContact CA-CD 3.46Å; A271-E274 VanDerWaalsContact CA-OE1 3.27Å; A271-E274 WeakPolarHBondContact CA-OE1 3.2Å; A271-E274 HydrophobicContact CB-CG 4.39Å; A271-E274 WeakPolarHBondContact CB-OE1 3.34Å; A271-E274 WeakPolarHBondContact O-CB 3.37Å; A271-E274 WeakPolarHBondContact O-CG 3.4Å; A271-E274 PolarHBondContact O-N 3.44Å; A271-E274 VanDerWaalsContact O-N 3.1Å |
| 275 | M | 81.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -106.4 | 111.7 | 177.1 | -158.4 | 178.4 | -152.9 | 0 | 0 | 109.2 | K35 F58 L62 Y105 L108 V112 M273 L280 | K35-M275 VanDerWaalsContact CE-O 3.31Å; K35-M275 WeakPolarHBondContact CE-O 3.3Å; K35-M275 PolarHBondContact NZ-O 2.92Å; F58-M275 HydrophobicContact CD1-CE 4.39Å; F58-M275 HydrophobicContact CE1-CE 3.38Å; F58-M275 HydrophobicContact CE1-SD 3.99Å; F58-M275 HydrophobicContact CZ-CE 3.7Å; F58-M275 HydrophobicContact CZ-SD 4.13Å; L62-M275 HydrophobicContact CD2-CG 4.13Å; Y105-M275 HydrophobicContact CD1-CB 4.2Å; Y105-M275 HydrophobicContact CD1-SD 4.31Å; Y105-M275 HydrophobicContact CD2-CB 4.07Å; Y105-M275 HydrophobicContact CG-CB 3.75Å; L108-M275 HydrophobicContact CB-CE 4.21Å; L108-M275 HydrophobicContact CB-SD 4.07Å; V112-M275 HydrophobicContact CB-CE 4.17Å; V112-M275 HydrophobicContact CG1-CE 4.23Å; V112-M275 HydrophobicContact CG2-CE 3.97Å; M273-M275 PolarHBondContact O-N 3.15Å; M275-L280 HydrophobicContact CE-CD1 4.38Å; M275-L280 HydrophobicContact CE-CD2 3.75Å; M275-L280 HydrophobicContact CG-CD1 4.39Å; M275-L280 HydrophobicContact CG-CD2 4.39Å; M275-L280 HydrophobicContact CG-CG 4.46Å |
| 276 | N | 85.9 | Confident | 78.4 | Confident | 27 Ų | 27 | 24.4 Ų | 24.4 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | trans | -139.4 | 164.3 | 175.5 | 59.4 | 61.8 | 0 | 0 | 0 | 110.2 | M273 P278 W279 L280 | M273-N276 PolarHBondContact O-ND2 3.43Å; M273-N276 VanDerWaalsContact O-ND2 3.1Å; N276-P278 VanDerWaalsContact OD1-CD 3.29Å; N276-P278 WeakPolarHBondContact OD1-CD 3.5Å; N276-W279 PolarHBondContact O-N 3.45Å; N276-W279 WeakPolarHBondContact OD1-CB 3.02Å; N276-W279 PolarHBondContact OD1-N 3.48Å; N276-L280 WeakPolarHBondContact O-CG 3.31Å; N276-L280 PolarHBondContact O-N 2.91Å | ||
| 277 | V | 82.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | -173.8 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | D39 I42 L43 C59 L62 A63 W279 L280 Y281 | D39-V277 HydrophobicContact CB-CB 4.08Å; D39-V277 HydrophobicContact CB-CG2 3.65Å; D39-V277 VanDerWaalsContact CG-CG2 3.5Å; D39-V277 WeakPolarHBondContact OD1-CB 3.28Å; D39-V277 WeakPolarHBondContact OD1-CG2 3.47Å; D39-V277 PolarHBondContact OD1-N 3.3Å; I42-V277 HydrophobicContact CB-CG1 4.45Å; I42-V277 HydrophobicContact CG2-CG1 3.75Å; L43-V277 HydrophobicContact CD2-CG1 4.45Å; L43-V277 HydrophobicContact CG-CG1 4.41Å; C59-V277 HydrophobicContact CB-CG1 3.96Å; C59-V277 HydrophobicContact CB-CG2 4.25Å; L62-V277 HydrophobicContact CD2-CG2 4.29Å; A63-V277 HydrophobicContact CB-CG2 4.48Å; V277-W279 PolarHBondContact O-N 3.45Å; V277-L280 PolarHBondContact O-N 3.32Å; V277-Y281 HydrophobicContact CG1-CD2 3.5Å; V277-Y281 VanDerWaalsContact CG1-CD2 3.5Å; V277-Y281 HydrophobicContact CG1-CE2 3.34Å; V277-Y281 VanDerWaalsContact O-CD2 3.32Å; V277-Y281 WeakPolarHBondContact O-CD2 3.31Å; V277-Y281 PolarHBondContact O-N 2.84Å |
| 278 | P | 84.8 | Confident | 79.4 | Confident | 13 Ų | 13 | 21 Ų | 21 | 8% | 0.084 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 174.7 | -15.8 | 20.2 | 0 | 0 | 0 | 113.1 | L38 D39 I42 W252 N276 L280 Y281 F282 | L38-P278 HydrophobicContact CD1-CG 4.13Å; L38-P278 HydrophobicContact CD2-CG 3.17Å; L38-P278 HydrophobicContact CG-CG 3.8Å; D39-P278 WeakPolarHBondContact OD1-CD 3.48Å; I42-P278 HydrophobicContact CG1-CG 4.23Å; W252-P278 WeakPolarHBondContact CH2-O 2.94Å; N276-P278 VanDerWaalsContact OD1-CD 3.29Å; N276-P278 WeakPolarHBondContact OD1-CD 3.5Å; P278-L280 VanDerWaalsContact C-N 3.31Å; P278-L280 PolarHBondContact O-N 3.01Å; P278-Y281 PolarHBondContact O-N 3.33Å; P278-F282 WeakPolarHBondContact O-CB 3.19Å; P278-F282 PolarHBondContact O-N 2.92Å |
| 279 | W | 84.8 | Confident | 80.1 | Confident | 15 Ų | 15 | 14.3 Ų | 14.3 | 6% | 0.057 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 176 | 177 | -96.3 | 0 | 0 | 0 | 111.1 | Y113 V186 F255 Q259 N276 V277 Y281 F282 I283 | Y113-W279 PolarHBondContact OH-NE1 2.03Å; V186-W279 HydrophobicContact CG1-CZ2 3.84Å; F255-W279 HydrophobicContact CE1-CD2 4.31Å; F255-W279 AromaticContact CE1-CE3 3.4Å; F255-W279 HydrophobicContact CE1-CE3 3.4Å; F255-W279 VanDerWaalsContact CE1-CE3 3.4Å; F255-W279 AromaticContact CE1-CZ3 3.89Å; F255-W279 HydrophobicContact CE1-CZ3 3.89Å; F255-W279 HydrophobicContact CZ-CB 4.02Å; F255-W279 HydrophobicContact CZ-CD2 4.3Å; F255-W279 AromaticContact CZ-CE3 3.48Å; F255-W279 HydrophobicContact CZ-CE3 3.48Å; F255-W279 VanDerWaalsContact CZ-CE3 3.48Å; F255-W279 HydrophobicContact CZ-CZ3 4.29Å; Q259-W279 HydrophobicContact CG-CZ3 4.34Å; N276-W279 PolarHBondContact O-N 3.45Å; N276-W279 WeakPolarHBondContact OD1-CB 3.02Å; N276-W279 PolarHBondContact OD1-N 3.48Å; V277-W279 PolarHBondContact O-N 3.45Å; W279-Y281 PolarHBondContact O-N 2.91Å; W279-F282 WeakPolarHBondContact O-CB 3.44Å; W279-F282 PolarHBondContact O-N 3.36Å; W279-I283 HydrophobicContact CZ2-CD1 4.18Å; W279-I283 HydrophobicContact CZ2-CG1 4.43Å; W279-I283 WeakPolarHBondContact O-CG1 3.3Å; W279-I283 PolarHBondContact O-N 2.96Å; W279-I283 VanDerWaalsContact O-N 3.09Å |
| 280 | L | 85 | Confident | 80.8 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 175.8 | -73.2 | 177.2 | 0 | 0 | 0 | 112.4 | M55 F58 L62 V112 Y113 M275 N276 V277 P278 I283 N284 | M55-L280 HydrophobicContact CE-CB 3.71Å; M55-L280 HydrophobicContact CE-CD2 3.56Å; M55-L280 HydrophobicContact CE-CG 4.19Å; M55-L280 WeakPolarHBondContact CE-O 3.24Å; M55-L280 HydrophobicContact SD-CD2 4.39Å; F58-L280 HydrophobicContact CD1-CD1 3.75Å; F58-L280 HydrophobicContact CE1-CD1 3.85Å; L62-L280 HydrophobicContact CD2-CD1 3.55Å; V112-L280 HydrophobicContact CG1-CD2 4.4Å; Y113-L280 HydrophobicContact CE1-CD2 4.37Å; M275-L280 HydrophobicContact CE-CD1 4.38Å; M275-L280 HydrophobicContact CE-CD2 3.75Å; M275-L280 HydrophobicContact CG-CD1 4.39Å; M275-L280 HydrophobicContact CG-CD2 4.39Å; M275-L280 HydrophobicContact CG-CG 4.46Å; N276-L280 WeakPolarHBondContact O-CG 3.31Å; N276-L280 PolarHBondContact O-N 2.91Å; V277-L280 PolarHBondContact O-N 3.32Å; P278-L280 VanDerWaalsContact C-N 3.31Å; P278-L280 PolarHBondContact O-N 3.01Å; L280-I283 PolarHBondContact O-N 3.17Å; L280-N284 WeakPolarHBondContact O-CB 3.35Å; L280-N284 PolarHBondContact O-N 3.45Å |
| 281 | Y | 83.9 | Confident | 81.2 | Confident | 13 Ų | 13 | 13.3 Ų | 13.3 | 5% | 0.051 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.6 | -31.8 | 176.3 | -80.3 | -59.7 | 0 | 0 | 0 | 113.7 | I42 C59 W252 V277 P278 W279 I283 N284 S285 P310 F311 | I42-Y281 HydrophobicContact CG2-CD2 3.61Å; I42-Y281 HydrophobicContact CG2-CE2 3.7Å; C59-Y281 HydrophobicContact CB-CE2 4.39Å; W252-Y281 VanDerWaalsContact CZ2-C 3.46Å; V277-Y281 HydrophobicContact CG1-CD2 3.5Å; V277-Y281 VanDerWaalsContact CG1-CD2 3.5Å; V277-Y281 HydrophobicContact CG1-CE2 3.34Å; V277-Y281 VanDerWaalsContact O-CD2 3.32Å; V277-Y281 WeakPolarHBondContact O-CD2 3.31Å; V277-Y281 PolarHBondContact O-N 2.84Å; P278-Y281 PolarHBondContact O-N 3.33Å; W279-Y281 PolarHBondContact O-N 2.91Å; Y281-I283 VanDerWaalsContact C-N 3.35Å; Y281-N284 HydrophobicContact CD1-CB 4.33Å; Y281-N284 WeakPolarHBondContact O-CB 3.4Å; Y281-N284 PolarHBondContact O-N 3.42Å; Y281-S285 PolarHBondContact O-N 3.42Å; Y281-S285 PolarHBondContact O-OG 3.23Å; Y281-P310 HydrophobicContact CD1-CG 3.88Å; Y281-P310 HydrophobicContact CE1-CG 3.64Å; Y281-F311 HydrophobicContact CD1-CD2 4.02Å; Y281-F311 AromaticContact CD1-CE2 3.7Å; Y281-F311 HydrophobicContact CD1-CE2 3.7Å; Y281-F311 HydrophobicContact CD2-CD2 4.49Å; Y281-F311 AromaticContact CD2-CE2 3.5Å; Y281-F311 HydrophobicContact CD2-CE2 3.5Å; Y281-F311 HydrophobicContact CD2-CZ 4.06Å; Y281-F311 HydrophobicContact CE1-CE2 4.21Å; Y281-F311 HydrophobicContact CE2-CE2 4.02Å; Y281-F311 AromaticContact CG-CD2 3.9Å; Y281-F311 HydrophobicContact CG-CD2 3.9Å; Y281-F311 AromaticContact CG-CE2 3.33Å; Y281-F311 HydrophobicContact CG-CE2 3.33Å; Y281-F311 HydrophobicContact CG-CZ 4.25Å |
| 282 | F | 86.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.2 | -48.3 | 171 | 171.2 | -103 | 0 | 0 | 0 | 110.8 | M190 I194 F248 W252 F255 V256 P278 W279 S285 F286 | M190-F282 HydrophobicContact CE-CE1 3.79Å; M190-F282 HydrophobicContact CE-CZ 4.26Å; I194-F282 HydrophobicContact CD1-CZ 4.06Å; F248-F282 AromaticContact CE1-CE2 3.73Å; F248-F282 HydrophobicContact CE1-CE2 3.73Å; F248-F282 HydrophobicContact CE1-CZ 4.16Å; F248-F282 HydrophobicContact CE2-CD2 4.21Å; F248-F282 HydrophobicContact CE2-CE2 4.17Å; F248-F282 AromaticContact CZ-CD2 3.68Å; F248-F282 HydrophobicContact CZ-CD2 3.68Å; F248-F282 AromaticContact CZ-CE2 3.22Å; F248-F282 HydrophobicContact CZ-CE2 3.22Å; F248-F282 AromaticContact CZ-CZ 3.71Å; F248-F282 HydrophobicContact CZ-CZ 3.71Å; W252-F282 HydrophobicContact CB-CD2 3.74Å; W252-F282 HydrophobicContact CB-CE2 3.9Å; W252-F282 HydrophobicContact CD2-CB 4.12Å; W252-F282 AromaticContact CD2-CD2 3.71Å; W252-F282 HydrophobicContact CD2-CD2 3.71Å; W252-F282 HydrophobicContact CD2-CG 4.43Å; W252-F282 HydrophobicContact CE3-CB 3.85Å; W252-F282 AromaticContact CE3-CD2 3.82Å; W252-F282 HydrophobicContact CE3-CD2 3.82Å; W252-F282 HydrophobicContact CE3-CG 4.33Å; W252-F282 AromaticContact CG-CD2 3.68Å; W252-F282 HydrophobicContact CG-CD2 3.68Å; W252-F282 HydrophobicContact CG-CE2 4.3Å; W252-F282 HydrophobicContact CH2-CB 4.1Å; W252-F282 HydrophobicContact CZ2-CB 4.34Å; W252-F282 HydrophobicContact CZ3-CB 3.83Å; F255-F282 HydrophobicContact CD1-CB 3.9Å; F255-F282 HydrophobicContact CD1-CD1 4.07Å; F255-F282 AromaticContact CD1-CD2 3.65Å; F255-F282 HydrophobicContact CD1-CD2 3.65Å; F255-F282 HydrophobicContact CD1-CE2 4.12Å; F255-F282 AromaticContact CD1-CG 3.61Å; F255-F282 HydrophobicContact CD1-CG 3.61Å; F255-F282 HydrophobicContact CE1-CB 3.77Å; F255-F282 AromaticContact CE1-CD1 3.89Å; F255-F282 HydrophobicContact CE1-CD1 3.89Å; F255-F282 HydrophobicContact CE1-CD2 4.25Å; F255-F282 AromaticContact CE1-CG 3.72Å; F255-F282 HydrophobicContact CE1-CG 3.72Å; V256-F282 HydrophobicContact CG2-CE2 3.76Å; V256-F282 HydrophobicContact CG2-CZ 4.07Å; P278-F282 WeakPolarHBondContact O-CB 3.19Å; P278-F282 PolarHBondContact O-N 2.92Å; W279-F282 WeakPolarHBondContact O-CB 3.44Å; W279-F282 PolarHBondContact O-N 3.36Å; F282-S285 PolarHBondContact O-N 3.31Å; F282-F286 PolarHBondContact O-N 2.73Å |
| 283 | I | 85 | Confident | 82 | Confident | 7 Ų | 7 | 15.5 Ų | 15.5 | 4% | 0.036 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 175.9 | -61.9 | -62.4 | 0 | 0 | 0 | 111.5 | Y113 M190 W279 L280 Y281 S285 F286 L287 | Y113-I283 HydrophobicContact CD1-CG2 3.95Å; Y113-I283 HydrophobicContact CE1-CB 4.26Å; Y113-I283 HydrophobicContact CE1-CG1 4.16Å; Y113-I283 HydrophobicContact CE1-CG2 3.76Å; M190-I283 HydrophobicContact CE-CD1 3.91Å; M190-I283 HydrophobicContact CG-CD1 4.2Å; M190-I283 HydrophobicContact SD-CD1 3.98Å; W279-I283 HydrophobicContact CZ2-CD1 4.18Å; W279-I283 HydrophobicContact CZ2-CG1 4.43Å; W279-I283 WeakPolarHBondContact O-CG1 3.3Å; W279-I283 PolarHBondContact O-N 2.96Å; W279-I283 VanDerWaalsContact O-N 3.09Å; L280-I283 PolarHBondContact O-N 3.17Å; Y281-I283 VanDerWaalsContact C-N 3.35Å; I283-S285 PolarHBondContact O-N 3.05Å; I283-F286 PolarHBondContact O-N 3.37Å; I283-L287 HydrophobicContact CG2-CD1 3.86Å; I283-L287 HydrophobicContact CG2-CG 4.05Å; I283-L287 WeakPolarHBondContact O-CB 3.48Å; I283-L287 VanDerWaalsContact O-CG 3.29Å; I283-L287 WeakPolarHBondContact O-CG 3.18Å; I283-L287 PolarHBondContact O-N 2.92Å |
| 284 | N | 85.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -52.5 | -52.9 | 174.1 | 177.6 | 111.4 | 0 | 0 | 0 | 111 | M55 Y120 L280 Y281 F286 L287 I288 | M55-N284 WeakPolarHBondContact CB-OD1 3.22Å; M55-N284 HydrophobicContact CG-CB 4.06Å; Y120-N284 PolarHBondContact OH-OD1 3.26Å; L280-N284 WeakPolarHBondContact O-CB 3.35Å; L280-N284 PolarHBondContact O-N 3.45Å; Y281-N284 HydrophobicContact CD1-CB 4.33Å; Y281-N284 WeakPolarHBondContact O-CB 3.4Å; Y281-N284 PolarHBondContact O-N 3.42Å; N284-F286 VanDerWaalsContact C-N 3.33Å; N284-F286 PolarHBondContact O-N 2.91Å; N284-L287 PolarHBondContact O-N 2.89Å; N284-I288 VanDerWaalsContact ND2-CD1 3.34Å; N284-I288 WeakPolarHBondContact ND2-CD1 3.47Å; N284-I288 VanDerWaalsContact O-CG1 3.29Å; N284-I288 WeakPolarHBondContact O-CG1 3.24Å; N284-I288 PolarHBondContact O-N 3.38Å |
| 285 | S | 84.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 178.5 | -67.1 | 0 | 0 | 0 | 0 | 112.7 | W252 Y281 F282 I283 I288 A289 D309 | W252-S285 PolarHBondContact NE1-OG 3.16Å; Y281-S285 PolarHBondContact O-N 3.42Å; Y281-S285 PolarHBondContact O-OG 3.23Å; F282-S285 PolarHBondContact O-N 3.31Å; I283-S285 PolarHBondContact O-N 3.05Å; S285-I288 PolarHBondContact O-N 3.08Å; S285-A289 PolarHBondContact O-N 3.37Å; S285-D309 WeakPolarHBondContact CA-OD2 3.36Å; S285-D309 WeakPolarHBondContact CB-OD2 3.38Å; S285-D309 VanDerWaalsContact OG-CG 3.27Å; S285-D309 PolarHBondContact OG-OD1 3.44Å; S285-D309 VanDerWaalsContact OG-OD1 3.14Å; S285-D309 PolarHBondContact OG-OD2 3.28Å |
| 286 | F | 85.6 | Confident | 81.1 | Confident | 41 Ų | 41 | 24.6 Ų | 24.6 | 18% | 0.18 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.1 | 178.5 | -99.2 | 0 | 0 | 0 | 112.1 | M190 L193 F248 F282 I283 N284 I288 A289 V290 | M190-F286 HydrophobicContact CE-CB 4.09Å; M190-F286 HydrophobicContact CE-CD1 3.72Å; M190-F286 HydrophobicContact CE-CD2 3.73Å; M190-F286 HydrophobicContact CE-CE1 4Å; M190-F286 HydrophobicContact CE-CE2 4.02Å; M190-F286 HydrophobicContact CE-CG 3.57Å; M190-F286 HydrophobicContact CE-CZ 4.14Å; M190-F286 HydrophobicContact SD-CD1 4.28Å; M190-F286 HydrophobicContact SD-CE1 4.16Å; M190-F286 HydrophobicContact SD-CZ 4.48Å; L193-F286 HydrophobicContact CD1-CZ 4.34Å; F248-F286 HydrophobicContact CE2-CB 3.82Å; F248-F286 HydrophobicContact CZ-CB 3.97Å; F248-F286 HydrophobicContact CZ-CD2 4.26Å; F282-F286 PolarHBondContact O-N 2.73Å; I283-F286 PolarHBondContact O-N 3.37Å; N284-F286 VanDerWaalsContact C-N 3.33Å; N284-F286 PolarHBondContact O-N 2.91Å; F286-I288 VanDerWaalsContact C-N 3.33Å; F286-I288 PolarHBondContact O-N 2.91Å; F286-A289 WeakPolarHBondContact O-CB 3.31Å; F286-A289 PolarHBondContact O-N 2.88Å; F286-V290 HydrophobicContact CD1-CG2 4.16Å; F286-V290 HydrophobicContact CE1-CG2 3.75Å; F286-V290 HydrophobicContact CE2-CG2 4.26Å; F286-V290 HydrophobicContact CZ-CG2 3.81Å; F286-V290 WeakPolarHBondContact O-CG2 3.37Å; F286-V290 PolarHBondContact O-N 3.33Å |
| 287 | L | 83.7 | Confident | 79.8 | Confident | 29 Ų | 29 | 29.4 Ų | 29.4 | 15% | 0.152 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 179 | -71.3 | 177.4 | 0 | 0 | 0 | 112 | A116 V117 Y120 I283 N284 V290 A291 | A116-L287 HydrophobicContact CB-CD1 4.09Å; V117-L287 HydrophobicContact CG2-CD1 4.11Å; V117-L287 HydrophobicContact CG2-CD2 3.73Å; Y120-L287 HydrophobicContact CD2-CB 3.97Å; Y120-L287 HydrophobicContact CD2-CD1 4.45Å; Y120-L287 HydrophobicContact CE2-CB 3.85Å; Y120-L287 HydrophobicContact CE2-CD1 4.06Å; I283-L287 HydrophobicContact CG2-CD1 3.86Å; I283-L287 HydrophobicContact CG2-CG 4.05Å; I283-L287 WeakPolarHBondContact O-CB 3.48Å; I283-L287 VanDerWaalsContact O-CG 3.29Å; I283-L287 WeakPolarHBondContact O-CG 3.18Å; I283-L287 PolarHBondContact O-N 2.92Å; N284-L287 PolarHBondContact O-N 2.89Å; L287-V290 PolarHBondContact O-N 3.18Å; L287-A291 WeakPolarHBondContact O-CB 3.39Å; L287-A291 PolarHBondContact O-N 3.22Å |
| 288 | I | 79.2 | Confident | 78.4 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 174.8 | -68.9 | 169.8 | 0 | 0 | 0 | 110.6 | Y120 N284 S285 F286 V290 A291 Y292 T308 D309 W314 | Y120-I288 HydrophobicContact CD1-CG1 4.01Å; Y120-I288 HydrophobicContact CE1-CD1 3.94Å; Y120-I288 HydrophobicContact CE1-CG1 3.71Å; Y120-I288 HydrophobicContact CE2-CG1 4.44Å; N284-I288 VanDerWaalsContact ND2-CD1 3.34Å; N284-I288 WeakPolarHBondContact ND2-CD1 3.47Å; N284-I288 VanDerWaalsContact O-CG1 3.29Å; N284-I288 WeakPolarHBondContact O-CG1 3.24Å; N284-I288 PolarHBondContact O-N 3.38Å; S285-I288 PolarHBondContact O-N 3.08Å; F286-I288 VanDerWaalsContact C-N 3.33Å; F286-I288 PolarHBondContact O-N 2.91Å; I288-V290 PolarHBondContact O-N 3.11Å; I288-A291 PolarHBondContact O-N 2.73Å; I288-Y292 HydrophobicContact CG2-CD2 3.89Å; I288-Y292 HydrophobicContact CG2-CE2 3.32Å; I288-Y292 WeakPolarHBondContact O-CD2 3.44Å; I288-Y292 PolarHBondContact O-N 3.44Å; I288-T308 HydrophobicContact CD1-CG2 4.26Å; I288-D309 HydrophobicContact CD1-CB 3.73Å; I288-W314 HydrophobicContact CG2-CZ2 4.31Å |
| 289 | A | 81.9 | Confident | 76.8 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L244 S285 F286 A291 Y292 W293 W314 | L244-A289 HydrophobicContact CB-CB 4.43Å; L244-A289 WeakPolarHBondContact CD1-O 3.3Å; S285-A289 PolarHBondContact O-N 3.37Å; F286-A289 WeakPolarHBondContact O-CB 3.31Å; F286-A289 PolarHBondContact O-N 2.88Å; A289-A291 VanDerWaalsContact C-N 3.32Å; A289-A291 PolarHBondContact O-N 2.94Å; A289-Y292 PolarHBondContact O-N 3.06Å; A289-W293 WeakPolarHBondContact O-CB 3.38Å; A289-W293 PolarHBondContact O-N 3.22Å; A289-W314 HydrophobicContact CB-CH2 3.63Å; A289-W314 HydrophobicContact CB-CZ2 4.21Å; A289-W314 HydrophobicContact CB-CZ3 4.25Å |
| 290 | V | 82.9 | Confident | 75.1 | Confident | 47 Ų | 47 | 42.7 Ų | 42.7 | 29% | 0.285 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63 | -39.5 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | F286 L287 I288 W293 F294 | F286-V290 HydrophobicContact CD1-CG2 4.16Å; F286-V290 HydrophobicContact CE1-CG2 3.75Å; F286-V290 HydrophobicContact CE2-CG2 4.26Å; F286-V290 HydrophobicContact CZ-CG2 3.81Å; F286-V290 WeakPolarHBondContact O-CG2 3.37Å; F286-V290 PolarHBondContact O-N 3.33Å; L287-V290 PolarHBondContact O-N 3.18Å; I288-V290 PolarHBondContact O-N 3.11Å; V290-W293 VanDerWaalsContact O-CB 3.32Å; V290-W293 WeakPolarHBondContact O-CB 3.45Å; V290-W293 PolarHBondContact O-N 3.43Å; V290-F294 HydrophobicContact CG1-CD2 3.61Å; V290-F294 HydrophobicContact CG1-CE2 3.43Å; V290-F294 VanDerWaalsContact CG1-CE2 3.43Å; V290-F294 WeakPolarHBondContact O-CD2 3.3Å; V290-F294 PolarHBondContact O-N 2.88Å |
| 291 | A | 78.1 | Confident | 73.6 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 17% | 0.165 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I124 L287 I288 A289 W293 F294 R295 | I124-A291 HydrophobicContact CD1-CB 3.44Å; I124-A291 VanDerWaalsContact CD1-CB 3.44Å; L287-A291 WeakPolarHBondContact O-CB 3.39Å; L287-A291 PolarHBondContact O-N 3.22Å; I288-A291 PolarHBondContact O-N 2.73Å; A289-A291 VanDerWaalsContact C-N 3.32Å; A289-A291 PolarHBondContact O-N 2.94Å; A291-W293 VanDerWaalsContact C-N 3.31Å; A291-W293 PolarHBondContact O-N 3.5Å; A291-F294 PolarHBondContact O-N 2.84Å; A291-R295 PolarHBondContact O-N 3.35Å |
| 292 | Y | 75.4 | Confident | 72.1 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -40.5 | 172.3 | -67.9 | -37.9 | 0 | 0 | 0 | 112 | L244 I288 A289 F294 R295 C296 I305 W314 | L244-Y292 HydrophobicContact CD2-CD2 4.09Å; I288-Y292 HydrophobicContact CG2-CD2 3.89Å; I288-Y292 HydrophobicContact CG2-CE2 3.32Å; I288-Y292 WeakPolarHBondContact O-CD2 3.44Å; I288-Y292 PolarHBondContact O-N 3.44Å; A289-Y292 PolarHBondContact O-N 3.06Å; Y292-F294 PolarHBondContact O-N 3.38Å; Y292-R295 CarbonylContact O-C 3.38Å; Y292-R295 PolarHBondContact O-N 2.88Å; Y292-C296 PolarHBondContact O-N 3.03Å; Y292-I305 HydrophobicContact CE1-CG2 3.69Å; Y292-I305 PolarHBondContact OH-O 3.42Å; Y292-W314 HydrophobicContact CD2-CD2 4.42Å; Y292-W314 HydrophobicContact CE2-CB 4.29Å; Y292-W314 AromaticContact CE2-CD1 3.85Å; Y292-W314 HydrophobicContact CE2-CD2 4.09Å; Y292-W314 AromaticContact CE2-CG 3.8Å; Y292-W314 HydrophobicContact CE2-CG 3.8Å |
| 293 | W | 77.9 | Confident | 70.4 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.7 | -46 | 177.8 | 176.6 | -118.2 | 0 | 0 | 0 | 113.6 | R237 L240 L241 L244 A289 V290 A291 R295 | R237-W293 HydrophobicContact CB-CH2 3.88Å; R237-W293 HydrophobicContact CB-CZ2 4.47Å; R237-W293 HydrophobicContact CB-CZ3 4.19Å; R237-W293 HydrophobicContact CG-CD2 4.28Å; R237-W293 HydrophobicContact CG-CE3 4.1Å; R237-W293 HydrophobicContact CG-CH2 3.05Å; R237-W293 HydrophobicContact CG-CZ2 3.28Å; R237-W293 HydrophobicContact CG-CZ3 3.44Å; R237-W293 VanDerWaalsContact CG-CZ3 3.44Å; R237-W293 WeakPolarHBondContact O-CH2 3.48Å; R237-W293 WeakPolarHBondContact O-CZ3 3.21Å; L240-W293 HydrophobicContact CB-CE3 4.29Å; L240-W293 HydrophobicContact CB-CZ3 3.9Å; L240-W293 HydrophobicContact CD2-CE3 3.89Å; L240-W293 HydrophobicContact CD2-CZ3 4.21Å; L240-W293 HydrophobicContact CG-CE3 3.89Å; L240-W293 HydrophobicContact CG-CZ3 4.02Å; L241-W293 HydrophobicContact CB-CD2 4.07Å; L241-W293 HydrophobicContact CB-CE3 3.6Å; L241-W293 HydrophobicContact CB-CH2 3.18Å; L241-W293 HydrophobicContact CB-CZ2 3.75Å; L241-W293 HydrophobicContact CB-CZ3 3.18Å; L241-W293 HydrophobicContact CD1-CD2 4.33Å; L241-W293 HydrophobicContact CD1-CE3 4.49Å; L241-W293 HydrophobicContact CD2-CH2 4.05Å; L241-W293 HydrophobicContact CD2-CZ2 3.79Å; L241-W293 HydrophobicContact CG-CH2 4.2Å; L241-W293 HydrophobicContact CG-CZ2 4.32Å; L241-W293 HydrophobicContact CG-CZ3 4.42Å; L244-W293 HydrophobicContact CD1-CB 4.32Å; A289-W293 WeakPolarHBondContact O-CB 3.38Å; A289-W293 PolarHBondContact O-N 3.22Å; V290-W293 VanDerWaalsContact O-CB 3.32Å; V290-W293 WeakPolarHBondContact O-CB 3.45Å; V290-W293 PolarHBondContact O-N 3.43Å; A291-W293 VanDerWaalsContact C-N 3.31Å; A291-W293 PolarHBondContact O-N 3.5Å; W293-R295 VanDerWaalsContact C-N 3.28Å; W293-R295 PolarHBondContact O-N 3.35Å |
| 294 | F | 75.8 | Confident | 68.9 | Low | 146 Ų | 146 | 55.5 Ų | 55.5 | 64% | 0.64 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70.7 | -24.9 | -180 | -81.7 | -67.2 | 0 | 0 | 0 | 113.2 | V290 A291 Y292 | V290-F294 HydrophobicContact CG1-CD2 3.61Å; V290-F294 HydrophobicContact CG1-CE2 3.43Å; V290-F294 VanDerWaalsContact CG1-CE2 3.43Å; V290-F294 WeakPolarHBondContact O-CD2 3.3Å; V290-F294 PolarHBondContact O-N 2.88Å; A291-F294 PolarHBondContact O-N 2.84Å; Y292-F294 PolarHBondContact O-N 3.38Å |
| 295 | R | 70.1 | Confident | 67.5 | Low | 77 Ų | 77 | 56.9 Ų | 56.9 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 17.5 | -177.1 | -69.4 | -72.1 | -168.4 | 165.2 | 2.8 | 113.8 | A291 Y292 W293 H297 D298 V299 | A291-R295 PolarHBondContact O-N 3.35Å; Y292-R295 CarbonylContact O-C 3.38Å; Y292-R295 PolarHBondContact O-N 2.88Å; W293-R295 VanDerWaalsContact C-N 3.28Å; W293-R295 PolarHBondContact O-N 3.35Å; R295-H297 PolarHBondContact O-N 3.04Å; R295-D298 IonicContact NH1-OD2 2.94Å; R295-D298 PolarHBondContact O-N 2.87Å; R295-V299 HydrophobicContact CB-CG2 3.47Å; R295-V299 VanDerWaalsContact CB-CG2 3.47Å; R295-V299 WeakPolarHBondContact O-CG2 3.24Å |
| 296 | C | 65.4 | Low | 66 | Low | 21 Ų | 21 | 58 Ų | 58 | 14% | 0.142 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45 | -27.3 | -177.7 | -170.2 | 0 | 0 | 0 | 0 | 116 | L240 Y292 | L240-C296 HydrophobicContact CD2-CB 3.57Å; L240-C296 WeakPolarHBondContact CD2-SG 3.38Å; Y292-C296 PolarHBondContact O-N 3.03Å |
| 297 | H | 56.8 | Low | 64.5 | Low | 128 Ų | 128 | 58.1 Ų | 58.1 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -12.9 | -174.9 | -64.4 | -60.4 | 0 | 0 | 0 | 115.5 | R295 | R295-H297 PolarHBondContact O-N 3.04Š|
| 298 | D | 54.3 | Low | 63.4 | Low | 122 Ų | 122 | 57.4 Ų | 57.4 | 65% | 0.652 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.7 | 3 | -169 | -72 | -27.6 | 0 | 0 | 0 | 114 | R295 E300 | R295-D298 IonicContact NH1-OD2 2.94Å; R295-D298 PolarHBondContact O-N 2.87Å; D298-E300 PolarHBondContact O-N 2.95Å |
| 299 | V | 50.8 | Low | 62.9 | Low | 36 Ų | 36 | 57.8 Ų | 57.8 | 22% | 0.218 | 29% | 0.291 | C | S | . | . | trans | -101 | 97.7 | -168.5 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | R295 L301 | R295-V299 HydrophobicContact CB-CG2 3.47Å; R295-V299 VanDerWaalsContact CB-CG2 3.47Å; R295-V299 WeakPolarHBondContact O-CG2 3.24Å; V299-L301 HydrophobicContact CB-CD1 4.01Å; V299-L301 HydrophobicContact CB-CG 4.41Å; V299-L301 HydrophobicContact CG1-CB 4.15Å; V299-L301 HydrophobicContact CG1-CD1 3.61Å; V299-L301 HydrophobicContact CG1-CG 3.47Å; V299-L301 VanDerWaalsContact CG1-CG 3.47Å; V299-L301 PolarHBondContact O-N 2.84Å | ||
| 300 | E | 49.5 | Very low | 62.2 | Low | 148 Ų | 148 | 58.5 Ų | 58.5 | 69% | 0.692 | 29% | 0.294 | S | S | * | . | trans | -64.7 | 89.5 | 150.8 | -74.8 | -178.2 | 168.5 | 0 | 0 | 107.8 | D298 T302 | D298-E300 PolarHBondContact O-N 2.95Å; E300-T302 VanDerWaalsContact C-N 3.28Å; E300-T302 PolarHBondContact O-N 3.4Å; E300-T302 PolarHBondContact O-OG1 3.48Å | ||
| 301 | L | 52.6 | Low | 61.6 | Low | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | trans | -66.9 | 84.4 | -178.2 | -100.5 | 121 | 0 | 0 | 0 | 109.3 | V299 W306 F318 | V299-L301 HydrophobicContact CB-CD1 4.01Å; V299-L301 HydrophobicContact CB-CG 4.41Å; V299-L301 HydrophobicContact CG1-CB 4.15Å; V299-L301 HydrophobicContact CG1-CD1 3.61Å; V299-L301 HydrophobicContact CG1-CG 3.47Å; V299-L301 VanDerWaalsContact CG1-CG 3.47Å; V299-L301 PolarHBondContact O-N 2.84Å; L301-W306 HydrophobicContact CB-CZ2 4.23Å; L301-W306 VanDerWaalsContact CB-NE1 3.35Å; L301-W306 VanDerWaalsContact CD2-CD1 3.45Å; L301-W306 HydrophobicContact CD2-CZ2 4.44Å; L301-F318 HydrophobicContact CD2-CD2 3.92Å; L301-F318 HydrophobicContact CD2-CE2 4.14Å | ||
| 302 | T | 52.9 | Low | 61.1 | Low | 67 Ų | 67 | 57.4 Ų | 57.4 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | trans | -69.9 | 144.7 | 173.3 | -50.6 | 0 | 0 | 0 | 0 | 109.1 | E300 E304 I305 | E300-T302 VanDerWaalsContact C-N 3.28Å; E300-T302 PolarHBondContact O-N 3.4Å; E300-T302 PolarHBondContact O-OG1 3.48Å; T302-E304 HydrophobicContact CG2-CB 4.17Å; T302-E304 PolarHBondContact O-N 2.9Å; T302-I305 PolarHBondContact O-N 3.47Å | ||
| 303 | E | 50.9 | Low | 60.8 | Low | 128 Ų | 128 | 59.7 Ų | 59.7 | 60% | 0.598 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -51.3 | -25.9 | 178.8 | -68.1 | -153.9 | 124.3 | 0 | 0 | 113.3 | W306 K315 | E303-W306 PolarHBondContact O-N 3.36Å; E303-K315 IonicContact OE1-NZ 3.69Å; E303-K315 PolarHBondContact OE1-NZ 3.43Å |
| 304 | E | 52.4 | Low | 60.4 | Low | 71 Ų | 71 | 57.8 Ų | 57.8 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.6 | -23.4 | 175.8 | -83.4 | -155.1 | -151.3 | 0 | 0 | 116.3 | K51 T302 S307 | K51-E304 WeakPolarHBondContact CE-O 3.49Å; K51-E304 PolarHBondContact NZ-O 2.91Å; K51-E304 IonicContact NZ-OE2 2.82Å; K51-E304 PolarHBondContact NZ-OE2 3.28Å; T302-E304 HydrophobicContact CG2-CB 4.17Å; T302-E304 PolarHBondContact O-N 2.9Å; E304-S307 PolarHBondContact O-OG 3.46Å |
| 305 | I | 56 | Low | 59.8 | Low | 30 Ų | 30 | 54.8 Ų | 54.8 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -82.7 | -28.8 | 178.5 | -59.7 | 175.6 | 0 | 0 | 0 | 109.1 | Y292 T302 S307 T308 | Y292-I305 HydrophobicContact CE1-CG2 3.69Å; Y292-I305 PolarHBondContact OH-O 3.42Å; T302-I305 PolarHBondContact O-N 3.47Å; I305-S307 VanDerWaalsContact C-N 3.28Å; I305-S307 PolarHBondContact O-N 2.95Å; I305-T308 WeakPolarHBondContact O-CB 3.35Å; I305-T308 PolarHBondContact O-N 2.89Å; I305-T308 PolarHBondContact O-OG1 3.44Å |
| 306 | W | 53.3 | Low | 59.2 | Low | 23 Ų | 23 | 57.4 Ų | 57.4 | 9% | 0.087 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.6 | -23.7 | -174.8 | -60.3 | 5.5 | 0 | 0 | 0 | 113.1 | L301 E303 T308 K315 F318 I336 | L301-W306 HydrophobicContact CB-CZ2 4.23Å; L301-W306 VanDerWaalsContact CB-NE1 3.35Å; L301-W306 VanDerWaalsContact CD2-CD1 3.45Å; L301-W306 HydrophobicContact CD2-CZ2 4.44Å; E303-W306 PolarHBondContact O-N 3.36Å; W306-T308 VanDerWaalsContact C-N 3.32Å; W306-T308 PolarHBondContact O-N 3.32Å; W306-K315 HydrophobicContact CD2-CB 4.27Å; W306-K315 VanDerWaalsContact CE3-CA 3.49Å; W306-K315 HydrophobicContact CE3-CB 3.41Å; W306-K315 VanDerWaalsContact CE3-CB 3.41Å; W306-K315 HydrophobicContact CE3-CD 3.67Å; W306-K315 HydrophobicContact CE3-CG 3.49Å; W306-K315 VanDerWaalsContact CE3-CG 3.49Å; W306-K315 HydrophobicContact CZ3-CB 3.81Å; W306-K315 HydrophobicContact CZ3-CD 3.73Å; W306-K315 HydrophobicContact CZ3-CG 3.41Å; W306-K315 VanDerWaalsContact CZ3-CG 3.41Å; W306-F318 HydrophobicContact CZ2-CB 4.22Å; W306-I336 HydrophobicContact CH2-CD1 4.29Å |
| 307 | S | 54 | Low | 58.9 | Low | 44 Ų | 44 | 56.7 Ų | 56.7 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 8.7 | 179.9 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | E304 I305 | E304-S307 PolarHBondContact O-OG 3.46Å; I305-S307 VanDerWaalsContact C-N 3.28Å; I305-S307 PolarHBondContact O-N 2.95Å |
| 308 | T | 61.8 | Low | 59 | Low | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -31.3 | -179.8 | -50.1 | 0 | 0 | 0 | 0 | 112.4 | Y120 I288 I305 W306 | Y120-T308 HydrophobicContact CE1-CG2 4.4Å; I288-T308 HydrophobicContact CD1-CG2 4.26Å; I305-T308 WeakPolarHBondContact O-CB 3.35Å; I305-T308 PolarHBondContact O-N 2.89Å; I305-T308 PolarHBondContact O-OG1 3.44Å; W306-T308 VanDerWaalsContact C-N 3.32Å; W306-T308 PolarHBondContact O-N 3.32Å |
| 309 | D | 67.9 | Low | 58.6 | Low | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | trans | -94.5 | 124 | 175.2 | -169.3 | -35.5 | 0 | 0 | 0 | 110.2 | S285 I288 F311 V312 W314 | S285-D309 WeakPolarHBondContact CA-OD2 3.36Å; S285-D309 WeakPolarHBondContact CB-OD2 3.38Å; S285-D309 VanDerWaalsContact OG-CG 3.27Å; S285-D309 PolarHBondContact OG-OD1 3.44Å; S285-D309 VanDerWaalsContact OG-OD1 3.14Å; S285-D309 PolarHBondContact OG-OD2 3.28Å; I288-D309 HydrophobicContact CD1-CB 3.73Å; D309-F311 WeakPolarHBondContact OD1-CA 3.26Å; D309-F311 PolarHBondContact OD1-N 2.96Å; D309-V312 PolarHBondContact OD1-N 2.95Å; D309-W314 PolarHBondContact OD2-NE1 2.91Å | ||
| 310 | P | 67.9 | Low | 58.1 | Low | 25 Ų | 25 | 49 Ų | 49 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -82.8 | -14.4 | -176.2 | 36.9 | -37.9 | 0 | 0 | 0 | 113 | K46 V50 Y281 | K46-P310 HydrophobicContact CD-CB 3.5Å; K46-P310 VanDerWaalsContact CD-CB 3.5Å; K46-P310 HydrophobicContact CD-CG 4.05Å; K46-P310 WeakPolarHBondContact CD-O 2.98Å; K46-P310 HydrophobicContact CG-CB 4.38Å; K46-P310 VanDerWaalsContact NZ-C 3.31Å; K46-P310 PolarHBondContact NZ-O 2.95Å; V50-P310 HydrophobicContact CB-CB 4.19Å; V50-P310 HydrophobicContact CG1-CB 3.75Å; V50-P310 HydrophobicContact CG1-CG 4.29Å; V50-P310 HydrophobicContact CG2-CB 3.33Å; Y281-P310 HydrophobicContact CD1-CG 3.88Å; Y281-P310 HydrophobicContact CE1-CG 3.64Å |
| 311 | F | 70.3 | Confident | 57.6 | Low | 42 Ų | 42 | 46.3 Ų | 46.3 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -106.1 | -48.4 | -179.5 | -72.9 | -90.8 | 0 | 0 | 0 | 113.7 | I42 K46 T251 W252 Y281 D309 | I42-F311 HydrophobicContact CD1-CE1 4.14Å; I42-F311 HydrophobicContact CD1-CZ 4.19Å; I42-F311 HydrophobicContact CG2-CE2 4.3Å; I42-F311 HydrophobicContact CG2-CZ 3.59Å; K46-F311 HydrophobicContact CD-CD2 3.89Å; K46-F311 HydrophobicContact CD-CE1 4.14Å; K46-F311 HydrophobicContact CD-CE2 3.4Å; K46-F311 HydrophobicContact CD-CG 4.4Å; K46-F311 HydrophobicContact CD-CZ 3.54Å; K46-F311 VanDerWaalsContact CE-CE2 3.48Å; K46-F311 HydrophobicContact CG-CE2 3.89Å; K46-F311 HydrophobicContact CG-CZ 3.88Å; K46-F311 VanDerWaalsContact NZ-CA 3.34Å; T251-F311 HydrophobicContact CG2-CB 4.1Å; W252-F311 HydrophobicContact CH2-CD1 4.4Å; W252-F311 HydrophobicContact CH2-CG 4.39Å; W252-F311 HydrophobicContact CZ2-CB 4.03Å; W252-F311 HydrophobicContact CZ2-CD1 4.18Å; W252-F311 HydrophobicContact CZ2-CD2 4.06Å; W252-F311 AromaticContact CZ2-CG 3.81Å; W252-F311 HydrophobicContact CZ2-CG 3.81Å; Y281-F311 HydrophobicContact CD1-CD2 4.02Å; Y281-F311 AromaticContact CD1-CE2 3.7Å; Y281-F311 HydrophobicContact CD1-CE2 3.7Å; Y281-F311 HydrophobicContact CD2-CD2 4.49Å; Y281-F311 AromaticContact CD2-CE2 3.5Å; Y281-F311 HydrophobicContact CD2-CE2 3.5Å; Y281-F311 HydrophobicContact CD2-CZ 4.06Å; Y281-F311 HydrophobicContact CE1-CE2 4.21Å; Y281-F311 HydrophobicContact CE2-CE2 4.02Å; Y281-F311 AromaticContact CG-CD2 3.9Å; Y281-F311 HydrophobicContact CG-CD2 3.9Å; Y281-F311 AromaticContact CG-CE2 3.33Å; Y281-F311 HydrophobicContact CG-CE2 3.33Å; Y281-F311 HydrophobicContact CG-CZ 4.25Å; D309-F311 WeakPolarHBondContact OD1-CA 3.26Å; D309-F311 PolarHBondContact OD1-N 2.96Å |
| 312 | V | 66.8 | Low | 56.7 | Low | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | trans | -92.9 | 116.1 | -176.3 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | C247 T251 D309 W314 | C247-V312 HydrophobicContact CB-CG1 3.96Å; T251-V312 HydrophobicContact CG2-CG2 4.26Å; D309-V312 PolarHBondContact OD1-N 2.95Å; V312-W314 HydrophobicContact CB-CD2 4.21Å; V312-W314 HydrophobicContact CB-CH2 4.11Å; V312-W314 HydrophobicContact CB-CZ2 3.64Å; V312-W314 HydrophobicContact CG1-CD2 3.71Å; V312-W314 HydrophobicContact CG1-CE3 3.72Å; V312-W314 HydrophobicContact CG1-CG 4.43Å; V312-W314 HydrophobicContact CG1-CH2 3.65Å; V312-W314 HydrophobicContact CG1-CZ2 3.65Å; V312-W314 HydrophobicContact CG1-CZ3 3.69Å; V312-W314 HydrophobicContact CG2-CH2 4.34Å; V312-W314 HydrophobicContact CG2-CZ2 4.05Å; V312-W314 VanDerWaalsContact O-CD1 3.27Å; V312-W314 PolarHBondContact O-N 1.98Å | ||
| 313 | S | 70 | Confident | 55.6 | Low | 56 Ų | 56 | 55.2 Ų | 55.2 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | trans | -79.4 | 87.5 | 172.9 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | K315 F316 | S313-K315 PolarHBondContact O-N 3.48Å; S313-K315 VanDerWaalsContact O-N 3.11Å; S313-F316 PolarHBondContact O-N 3.15Å; S313-F316 WeakPolarHBondContact OG-CD2 3.47Å; S313-F316 WeakPolarHBondContact OG-CE2 3.48Å | ||
| 314 | W | 69.8 | Low | 54.7 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.1 | 179.2 | -56.6 | 106.6 | 0 | 0 | 0 | 113.3 | L244 C247 F248 I288 A289 Y292 D309 V312 F316 C317 F318 | L244-W314 HydrophobicContact CB-CZ3 4.27Å; L244-W314 HydrophobicContact CD2-CD2 4.41Å; L244-W314 HydrophobicContact CD2-CE3 3.46Å; L244-W314 VanDerWaalsContact CD2-CE3 3.46Å; L244-W314 HydrophobicContact CD2-CH2 4.42Å; L244-W314 HydrophobicContact CD2-CZ3 3.48Å; L244-W314 VanDerWaalsContact CD2-CZ3 3.48Å; L244-W314 HydrophobicContact CG-CZ3 4.49Å; C247-W314 HydrophobicContact CB-CE3 4.25Å; C247-W314 HydrophobicContact CB-CZ3 4.04Å; F248-W314 HydrophobicContact CB-CH2 4.25Å; I288-W314 HydrophobicContact CG2-CZ2 4.31Å; A289-W314 HydrophobicContact CB-CH2 3.63Å; A289-W314 HydrophobicContact CB-CZ2 4.21Å; A289-W314 HydrophobicContact CB-CZ3 4.25Å; Y292-W314 HydrophobicContact CD2-CD2 4.42Å; Y292-W314 HydrophobicContact CE2-CB 4.29Å; Y292-W314 AromaticContact CE2-CD1 3.85Å; Y292-W314 HydrophobicContact CE2-CD2 4.09Å; Y292-W314 AromaticContact CE2-CG 3.8Å; Y292-W314 HydrophobicContact CE2-CG 3.8Å; D309-W314 PolarHBondContact OD2-NE1 2.91Å; V312-W314 HydrophobicContact CB-CD2 4.21Å; V312-W314 HydrophobicContact CB-CH2 4.11Å; V312-W314 HydrophobicContact CB-CZ2 3.64Å; V312-W314 HydrophobicContact CG1-CD2 3.71Å; V312-W314 HydrophobicContact CG1-CE3 3.72Å; V312-W314 HydrophobicContact CG1-CG 4.43Å; V312-W314 HydrophobicContact CG1-CH2 3.65Å; V312-W314 HydrophobicContact CG1-CZ2 3.65Å; V312-W314 HydrophobicContact CG1-CZ3 3.69Å; V312-W314 HydrophobicContact CG2-CH2 4.34Å; V312-W314 HydrophobicContact CG2-CZ2 4.05Å; V312-W314 VanDerWaalsContact O-CD1 3.27Å; V312-W314 PolarHBondContact O-N 1.98Å; W314-F316 PolarHBondContact O-N 3.25Å; W314-C317 WeakPolarHBondContact O-CB 3.45Å; W314-C317 PolarHBondContact O-N 3.3Å; W314-F318 HydrophobicContact CB-CE2 4.46Å; W314-F318 WeakPolarHBondContact O-CD2 3.37Å |
| 315 | K | 62.3 | Low | 53.6 | Low | 84 Ų | 84 | 60.9 Ų | 60.9 | 37% | 0.365 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -48.7 | -44 | 173.9 | 176.2 | 150 | -168.2 | 162.3 | 0 | 112.1 | E303 W306 S313 C317 F318 T319 | E303-K315 IonicContact OE1-NZ 3.69Å; E303-K315 PolarHBondContact OE1-NZ 3.43Å; W306-K315 HydrophobicContact CD2-CB 4.27Å; W306-K315 VanDerWaalsContact CE3-CA 3.49Å; W306-K315 HydrophobicContact CE3-CB 3.41Å; W306-K315 VanDerWaalsContact CE3-CB 3.41Å; W306-K315 HydrophobicContact CE3-CD 3.67Å; W306-K315 HydrophobicContact CE3-CG 3.49Å; W306-K315 VanDerWaalsContact CE3-CG 3.49Å; W306-K315 HydrophobicContact CZ3-CB 3.81Å; W306-K315 HydrophobicContact CZ3-CD 3.73Å; W306-K315 HydrophobicContact CZ3-CG 3.41Å; W306-K315 VanDerWaalsContact CZ3-CG 3.41Å; S313-K315 PolarHBondContact O-N 3.48Å; S313-K315 VanDerWaalsContact O-N 3.11Å; K315-C317 VanDerWaalsContact C-N 3.3Å; K315-C317 PolarHBondContact O-N 2.81Å; K315-F318 PolarHBondContact O-N 2.84Å; K315-T319 HydrophobicContact CG-CG2 4.49Å; K315-T319 PolarHBondContact O-N 3.38Å; K315-T319 PolarHBondContact O-OG1 3.38Å |
| 316 | F | 56.6 | Low | 52.7 | Low | 131 Ų | 131 | 66 Ų | 66 | 58% | 0.575 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -75.1 | -17.8 | -176.7 | -59.9 | -66.6 | 0 | 0 | 0 | 113.8 | S313 W314 F318 | S313-F316 PolarHBondContact O-N 3.15Å; S313-F316 WeakPolarHBondContact OG-CD2 3.47Å; S313-F316 WeakPolarHBondContact OG-CE2 3.48Å; W314-F316 PolarHBondContact O-N 3.25Å; F316-F318 VanDerWaalsContact C-N 3.28Å |
| 317 | C | 59.3 | Low | 51.4 | Low | 7 Ų | 7 | 73.5 Ų | 73.5 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -76 | -21.8 | 176.9 | -40.1 | 0 | 0 | 0 | 0 | 111.6 | R243 C247 W314 K315 | R243-C317 HydrophobicContact CB-CB 4.33Å; R243-C317 WeakPolarHBondContact CD-O 3.27Å; R243-C317 PolarHBondContact NH1-O 3.35Å; C247-C317 HydrophobicContact CB-CB 4.45Å; C247-C317 WeakPolarHBondContact CB-SG 3.43Å; C247-C317 WeakPolarHBondContact SG-CB 3.35Å; C247-C317 CovalentContact SG-SG 2.03Å; C247-C317 PolarHBondContact SG-SG 2.93Å; W314-C317 WeakPolarHBondContact O-CB 3.45Å; W314-C317 PolarHBondContact O-N 3.3Å; K315-C317 VanDerWaalsContact C-N 3.3Å; K315-C317 PolarHBondContact O-N 2.81Å |
| 318 | F | 58.7 | Low | 50.4 | Low | 9 Ų | 9 | 77.3 Ų | 77.3 | 4% | 0.039 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -118.9 | -19.2 | -166.8 | -66.4 | -56.5 | 0 | 0 | 0 | 115.6 | L240 L244 L301 W306 W314 K315 F316 P320 I338 | L240-F318 HydrophobicContact CD1-CD1 4.46Å; L240-F318 HydrophobicContact CD1-CE1 3.16Å; L240-F318 HydrophobicContact CD1-CZ 3.28Å; L244-F318 HydrophobicContact CD2-CE2 4.18Å; L244-F318 HydrophobicContact CD2-CZ 3.86Å; L244-F318 HydrophobicContact CG-CZ 4.34Å; L301-F318 HydrophobicContact CD2-CD2 3.92Å; L301-F318 HydrophobicContact CD2-CE2 4.14Å; W306-F318 HydrophobicContact CZ2-CB 4.22Å; W314-F318 HydrophobicContact CB-CE2 4.46Å; W314-F318 WeakPolarHBondContact O-CD2 3.37Å; K315-F318 PolarHBondContact O-N 2.84Å; F316-F318 VanDerWaalsContact C-N 3.28Å; F318-P320 WeakPolarHBondContact O-CD 2.92Å; F318-I338 HydrophobicContact CB-CD1 3.85Å; F318-I338 HydrophobicContact CD1-CD1 3.48Å; F318-I338 VanDerWaalsContact CD1-CD1 3.48Å; F318-I338 HydrophobicContact CE1-CD1 4.43Å; F318-I338 HydrophobicContact CG-CD1 3.98Å |
| 319 | T | 46.6 | Very low | 49 | Very low | 35 Ų | 35 | 81.8 Ų | 81.8 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | trans | -65.6 | 117.2 | 173.1 | 36.2 | 0 | 0 | 0 | 0 | 110.6 | K315 F321 I336 | K315-T319 HydrophobicContact CG-CG2 4.49Å; K315-T319 PolarHBondContact O-N 3.38Å; K315-T319 PolarHBondContact O-OG1 3.38Å; T319-F321 PolarHBondContact O-N 3.04Å; T319-I336 HydrophobicContact CG2-CD1 4.21Å | ||
| 320 | P | 40.5 | Very low | 47.3 | Very low | 79 Ų | 79 | 90 Ų | 90 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | trans | -67.7 | 116.1 | 163.4 | 28 | -25.5 | 0 | 0 | 0 | 106.5 | F318 N322 I336 | F318-P320 WeakPolarHBondContact O-CD 2.92Å; P320-N322 PolarHBondContact O-N 3.49Å; P320-I336 HydrophobicContact CG-CG2 4.41Å | ||
| 321 | F | 38.4 | Very low | 45.5 | Very low | 92 Ų | 92 | 98.2 Ų | 98.2 | 40% | 0.404 | 52% | 0.519 | S | S | . | . | trans | -74.8 | 66.1 | 166.7 | -78 | -83.8 | 0 | 0 | 0 | 108.6 | V222 T319 | V222-F321 HydrophobicContact CG1-CZ 4.14Å; T319-F321 PolarHBondContact O-N 3.04Å | ||
| 322 | N | 34.2 | Very low | 43.7 | Very low | 139 Ų | 139 | 102.8 Ų | 102.8 | 74% | 0.743 | 55% | 0.553 | S | S | * | * | trans | -100.4 | 103 | 164.3 | -130.5 | 21.4 | 0 | 0 | 0 | 105.8 | P320 | P320-N322 PolarHBondContact O-N 3.49Š| ||
| 323 | N | 30.2 | Very low | 42.2 | Very low | 139 Ų | 139 | 106.1 Ų | 106.1 | 74% | 0.743 | 59% | 0.588 | S | S | * | * | trans | -163.4 | 99.1 | 144.9 | -102.4 | -5.9 | 0 | 0 | 0 | 108.9 | N325 | N323-N325 PolarHBondContact O-N 3.06Š| ||
| 324 | E | 31.9 | Very low | 40.3 | Very low | 194 Ų | 194 | 109.6 Ų | 109.6 | 91% | 0.907 | 61% | 0.607 | S | S | * | * | trans | -73.1 | 5.1 | 158.7 | -139.3 | 171.4 | -164.2 | 0 | 0 | 111.7 | ||||
| 325 | N | 28.8 | Very low | 38.5 | Very low | 123 Ų | 123 | 114.8 Ų | 114.8 | 66% | 0.658 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -124.3 | 114.2 | 179.6 | -66.8 | -31.8 | 0 | 0 | 0 | 111.7 | N323 E327 | N323-N325 PolarHBondContact O-N 3.06Å; N325-E327 PolarHBondContact O-N 3.45Å |
| 326 | T | 37.1 | Very low | 37.4 | Very low | 138 Ų | 138 | 112.9 Ų | 112.9 | 85% | 0.847 | 63% | 0.632 | S | S | * | * | trans | -34.8 | 118.8 | 155.7 | 20.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 327 | E | 27.1 | Very low | 36 | Very low | 181 Ų | 181 | 111.8 Ų | 111.8 | 85% | 0.846 | 64% | 0.635 | S | S | * | * | trans | -173.3 | 146 | 132.8 | -102.5 | 177.7 | -169.4 | 0 | 0 | 110.2 | N325 A329 | N325-E327 PolarHBondContact O-N 3.45Å; E327-A329 PolarHBondContact O-N 3.19Å | ||
| 328 | P | 31.9 | Very low | 34.7 | Very low | 124 Ų | 124 | 114.9 Ų | 114.9 | 81% | 0.805 | 65% | 0.651 | S | S | * | * | trans | -68.4 | 131.8 | -174.4 | 27.4 | -32.3 | 0 | 0 | 0 | 111.7 | E330 | P328-E330 PolarHBondContact O-N 3.22Š| ||
| 329 | A | 32.8 | Very low | 33.4 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 90% | 0.901 | 69% | 0.689 | S | S | * | * | trans | -70.2 | 87.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E327 | E327-A329 PolarHBondContact O-N 3.19Š| ||
| 330 | E | 32.5 | Very low | 32.7 | Very low | 181 Ų | 181 | 124.7 Ų | 124.7 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | trans | -111.7 | 92.6 | 152.4 | -83.5 | -170.4 | 161.4 | 0 | 0 | 108.7 | P328 | P328-E330 PolarHBondContact O-N 3.22Š| ||
| 331 | K | 28.9 | Very low | 32.3 | Very low | 197 Ų | 197 | 127.1 Ų | 127.1 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | trans | -178.5 | 132.5 | 145.3 | -99.5 | 155.4 | -169 | 179.9 | 0 | 111.6 | ||||
| 332 | P | 34.1 | Very low | 32 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | trans | -82.8 | 128.6 | 174.1 | 32.9 | -28.9 | 0 | 0 | 0 | 109.6 | ||||
| 333 | G | 34.1 | Very low | 31.8 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | 152.6 | 15 | 172 | 0 | 0 | 0 | 0 | 0 | 118.4 | V335 | G333-V335 PolarHBondContact O-N 3.09Š| ||
| 334 | T | 31.4 | Very low | 31.9 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | -91.7 | 96.1 | 178.5 | 10.7 | 0 | 0 | 0 | 0 | 111.6 | I336 | T334-I336 PolarHBondContact O-N 3.4Š| ||
| 335 | V | 30.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 66% | 0.655 | 73% | 0.73 | S | S | * | * | trans | -69.3 | 119.4 | 162.3 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | G333 V337 | G333-V335 PolarHBondContact O-N 3.09Å; V335-V337 HydrophobicContact CG1-CG2 4.34Å | ||
| 336 | I | 39.6 | Very low | 32.1 | Very low | 44 Ų | 44 | 123.4 Ų | 123.4 | 23% | 0.226 | 74% | 0.735 | C | S | . | * | trans | -95.8 | 105.1 | 175.4 | -54.7 | 178.5 | 0 | 0 | 0 | 107.3 | W306 T319 P320 T334 I338 | W306-I336 HydrophobicContact CH2-CD1 4.29Å; T319-I336 HydrophobicContact CG2-CD1 4.21Å; P320-I336 HydrophobicContact CG-CG2 4.41Å; T334-I336 PolarHBondContact O-N 3.4Å; I336-I338 HydrophobicContact CG2-CG1 4.09Å | ||
| 337 | V | 26.3 | Very low | 31.8 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 66% | 0.655 | 73% | 0.727 | S | S | * | * | trans | -79.4 | 120.2 | 169.6 | -179 | 0 | 0 | 0 | 0 | 107.6 | V335 | V335-V337 HydrophobicContact CG1-CG2 4.34Š| ||
| 338 | I | 33.3 | Very low | 32.2 | Very low | 72 Ų | 72 | 117.4 Ų | 117.4 | 37% | 0.369 | 72% | 0.717 | S | S | . | * | trans | -105.8 | 111.9 | 172.1 | -59.3 | 174.4 | 0 | 0 | 0 | 106.4 | F318 I336 | F318-I338 HydrophobicContact CB-CD1 3.85Å; F318-I338 HydrophobicContact CD1-CD1 3.48Å; F318-I338 VanDerWaalsContact CD1-CD1 3.48Å; F318-I338 HydrophobicContact CE1-CD1 4.43Å; F318-I338 HydrophobicContact CG-CD1 3.98Å; I336-I338 HydrophobicContact CG2-CG1 4.09Å | ||
| 339 | C | 30.5 | Very low | 32.2 | Very low | 126 Ų | 126 | 116.8 Ų | 116.8 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | trans | -81.7 | 0 | 172.3 | -70.5 | 0 | 0 | 0 | 0 | 111.7 | C236 | C236-C339 PolarHBondContact SG-O 3.21Š|
Retrieved 339 of 339 residues in 210.4 ms
(Link to these results)