| 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 | 35.8 | Very low | 41.3 | Very low | 245 Ų | 245 | 162.4 Ų | 162.4 | 100% | 1.207 | 88% | 0.879 | S | S | * | * | 0 | 97.9 | 0 | -114.6 | 173.4 | 177.9 | 0 | 0 | 106.5 | |||||
| 2 | E | 37.3 | Very low | 41.4 | Very low | 188 Ų | 188 | 160.3 Ų | 160.3 | 88% | 0.879 | 86% | 0.864 | S | S | * | * | trans | -172.5 | 111 | 165 | -111 | 170 | -165.7 | 0 | 0 | 107.3 | ||||
| 3 | C | 40.6 | Very low | 41.6 | Very low | 133 Ų | 133 | 155.8 Ų | 155.8 | 90% | 0.899 | 85% | 0.853 | S | S | * | * | trans | -118.1 | 103.8 | 168.1 | -67.9 | 0 | 0 | 0 | 0 | 107 | R5 | C3-R5 PolarHBondContact O-N 3.47Š| ||
| 4 | V | 42.8 | Very low | 42.4 | Very low | 137 Ų | 137 | 153.1 Ų | 153.1 | 83% | 0.83 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 122.8 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 5 | R | 47.9 | Very low | 42.8 | Very low | 238 Ų | 238 | 150.7 Ų | 150.7 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 122.3 | 178.9 | -152.3 | 174.7 | -168.9 | 174.5 | 2.5 | 109.7 | C3 | C3-R5 PolarHBondContact O-N 3.47Š|
| 6 | T | 41.5 | Very low | 43.4 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 130 | 177.5 | 47.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 7 | G | 39.2 | Very low | 44 | Very low | 81 Ų | 81 | 143 Ų | 143 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -124.4 | 35 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 8 | K | 42.7 | Very low | 44.5 | Very low | 201 Ų | 201 | 143.2 Ų | 143.2 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -91.5 | 99.9 | 169.2 | -80 | -175.8 | 176.6 | 179.7 | 0 | 109.1 | E10 | K8-E10 PolarHBondContact O-N 2.96Š| ||
| 9 | A | 43.4 | Very low | 45.2 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -66.6 | 91.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | I11 | A9-I11 PolarHBondContact O-N 3.07Å; A9-I11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | E | 36.3 | Very low | 46.1 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -63.9 | 108 | 169.1 | -137.9 | 170.8 | -160.2 | 0 | 0 | 106.9 | K8 I12 | K8-E10 PolarHBondContact O-N 2.96Å; E10-I12 PolarHBondContact O-N 3.48Å | ||
| 11 | I | 47.2 | Very low | 47.4 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -67.2 | 91.6 | 170.8 | -60.8 | 171.1 | 0 | 0 | 0 | 105.5 | A9 S13 | A9-I11 PolarHBondContact O-N 3.07Å; A9-I11 VanDerWaalsContact O-N 3.09Å; I11-S13 VanDerWaalsContact C-N 3.3Å; I11-S13 PolarHBondContact O-N 3.1Å | ||
| 12 | I | 42.6 | Very low | 48.9 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | trans | -63.2 | 99.5 | 167 | -60.2 | 172.3 | 0 | 0 | 0 | 105.6 | E10 T14 | E10-I12 PolarHBondContact O-N 3.48Å; I12-T14 VanDerWaalsContact C-N 3.33Å; I12-T14 PolarHBondContact O-N 3.04Å | ||
| 13 | S | 43.2 | Very low | 50.4 | Low | 102 Ų | 102 | 126.5 Ų | 126.5 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | trans | -58.4 | 98.2 | 166.4 | 52.9 | 0 | 0 | 0 | 0 | 107.4 | I11 P15 | I11-S13 VanDerWaalsContact C-N 3.3Å; I11-S13 PolarHBondContact O-N 3.1Å; S13-P15 WeakPolarHBondContact O-CD 3.39Å | ||
| 14 | T | 53 | Low | 51.9 | Low | 119 Ų | 119 | 128.4 Ų | 128.4 | 73% | 0.73 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 121.4 | 172.8 | 38.8 | 0 | 0 | 0 | 0 | 107.7 | I12 A16 | I12-T14 VanDerWaalsContact C-N 3.33Å; I12-T14 PolarHBondContact O-N 3.04Å; T14-A16 PolarHBondContact O-N 3.26Å |
| 15 | P | 48.1 | Very low | 53.5 | Low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 130.8 | 176.6 | 23 | -31 | 0 | 0 | 0 | 108.4 | S13 | S13-P15 WeakPolarHBondContact O-CD 3.39Š|
| 16 | A | 52.1 | Low | 55 | Low | 80 Ų | 80 | 120.1 Ų | 120.1 | 66% | 0.661 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 131.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | T14 Q18 | T14-A16 PolarHBondContact O-N 3.26Å; A16-Q18 PolarHBondContact O-N 3.1Å; A16-Q18 VanDerWaalsContact O-N 3.15Å |
| 17 | P | 54.8 | Low | 56.6 | Low | 90 Ų | 90 | 115 Ų | 115 | 58% | 0.584 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -59 | 124.4 | -173.2 | 20.9 | -31.1 | 0 | 0 | 0 | 109.5 | N19 N20 | P17-N19 PolarHBondContact O-N 3.06Å; P17-N20 WeakPolarHBondContact O-CB 3.33Å; P17-N20 PolarHBondContact O-N 2.85Å |
| 18 | Q | 52.2 | Low | 58.3 | Low | 146 Ų | 146 | 114 Ų | 114 | 68% | 0.682 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49 | -26.4 | -178 | -69.4 | -178.2 | -19.3 | 0 | 0 | 113.2 | A16 N20 I21 Y22 | A16-Q18 PolarHBondContact O-N 3.1Å; A16-Q18 VanDerWaalsContact O-N 3.15Å; Q18-N20 PolarHBondContact O-N 2.9Å; Q18-N20 VanDerWaalsContact O-N 3.13Å; Q18-I21 PolarHBondContact O-N 3.09Å; Q18-I21 VanDerWaalsContact O-N 3.1Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.43Å |
| 19 | N | 57.7 | Low | 60 | Low | 131 Ų | 131 | 112.7 Ų | 112.7 | 70% | 0.701 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -53 | -30.4 | 173.3 | -73.1 | 0.3 | 0 | 0 | 0 | 114.2 | P17 L23 | P17-N19 PolarHBondContact O-N 3.06Å; N19-L23 WeakPolarHBondContact O-CB 3.04Å; N19-L23 PolarHBondContact O-N 2.68Å; N19-L23 VanDerWaalsContact O-N 3.14Å |
| 20 | N | 63.6 | Low | 61.7 | Low | 72 Ų | 72 | 112.4 Ų | 112.4 | 39% | 0.385 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -73.6 | -29.9 | -178.2 | -143.9 | -21.7 | 0 | 0 | 0 | 111.9 | P17 Q18 R24 | P17-N20 WeakPolarHBondContact O-CB 3.33Å; P17-N20 PolarHBondContact O-N 2.85Å; Q18-N20 PolarHBondContact O-N 2.9Å; Q18-N20 VanDerWaalsContact O-N 3.13Å; N20-R24 WeakPolarHBondContact O-CB 3.34Å; N20-R24 WeakPolarHBondContact O-CD 3.48Å; N20-R24 WeakPolarHBondContact O-CG 3.24Å; N20-R24 PolarHBondContact O-N 3.14Å; N20-R24 VanDerWaalsContact O-N 3.09Å; N20-R24 PolarHBondContact OD1-NE 2.84Å |
| 21 | I | 72.8 | Confident | 63.8 | Low | 104 Ų | 104 | 108.4 Ų | 108.4 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.1 | -49.2 | 178.5 | -61.5 | 173.4 | 0 | 0 | 0 | 110.2 | Q18 L23 R24 Q25 | Q18-I21 PolarHBondContact O-N 3.09Å; Q18-I21 VanDerWaalsContact O-N 3.1Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 3.2Å; I21-R24 PolarHBondContact O-N 3.18Å; I21-Q25 WeakPolarHBondContact O-CG 3.36Å; I21-Q25 PolarHBondContact O-N 2.96Å |
| 22 | Y | 67.1 | Low | 65.1 | Low | 157 Ų | 157 | 105.2 Ų | 105.2 | 62% | 0.616 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.9 | -41.2 | 177.7 | -72.4 | -69.3 | 0 | 0 | 0 | 112.1 | Q18 Q25 W26 | Q18-Y22 WeakPolarHBondContact O-CD2 3.43Å; Y22-Q25 PolarHBondContact O-N 3.46Å; Y22-W26 WeakPolarHBondContact O-CB 3.35Å; Y22-W26 PolarHBondContact O-N 3.1Å |
| 23 | L | 70 | Confident | 66.7 | Low | 48 Ų | 48 | 103.3 Ų | 103.3 | 25% | 0.251 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 176.5 | -179.3 | 66 | 0 | 0 | 0 | 111.9 | N19 I21 Q25 W26 V27 I76 | N19-L23 WeakPolarHBondContact O-CB 3.04Å; N19-L23 PolarHBondContact O-N 2.68Å; N19-L23 VanDerWaalsContact O-N 3.14Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 3.2Å; L23-Q25 VanDerWaalsContact C-N 3.33Å; L23-Q25 PolarHBondContact O-N 2.99Å; L23-W26 PolarHBondContact O-N 3.34Å; L23-V27 HydrophobicContact CD1-CG2 4.28Å; L23-V27 HydrophobicContact CG-CG2 4.38Å; L23-V27 WeakPolarHBondContact O-CG2 3.37Å; L23-V27 PolarHBondContact O-N 2.9Å; L23-I76 HydrophobicContact CD1-CD1 3.39Å; L23-I76 HydrophobicContact CD2-CB 4.43Å; L23-I76 HydrophobicContact CD2-CD1 4.02Å; L23-I76 HydrophobicContact CD2-CG2 3.53Å; L23-I76 HydrophobicContact CG-CD1 4.31Å |
| 24 | R | 72.6 | Confident | 68.3 | Low | 174 Ų | 174 | 99.7 Ų | 99.7 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.1 | -43.6 | 177.1 | -76.9 | 170 | -176.8 | -97.1 | 2.6 | 111.8 | N20 I21 W26 V27 S28 | N20-R24 WeakPolarHBondContact O-CB 3.34Å; N20-R24 WeakPolarHBondContact O-CD 3.48Å; N20-R24 WeakPolarHBondContact O-CG 3.24Å; N20-R24 PolarHBondContact O-N 3.14Å; N20-R24 VanDerWaalsContact O-N 3.09Å; N20-R24 PolarHBondContact OD1-NE 2.84Å; I21-R24 PolarHBondContact O-N 3.18Å; R24-W26 VanDerWaalsContact C-N 3.34Å; R24-W26 PolarHBondContact O-N 2.63Å; R24-V27 PolarHBondContact O-N 3.49Å; R24-S28 WeakPolarHBondContact O-CB 3.41Å; R24-S28 PolarHBondContact O-N 3.15Å |
| 25 | Q | 76.1 | Confident | 69.5 | Low | 97 Ų | 97 | 99.2 Ų | 99.2 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 175.3 | -71.5 | 179.9 | -6.9 | 0 | 0 | 111.7 | I21 Y22 L23 S28 R29 | I21-Q25 WeakPolarHBondContact O-CG 3.36Å; I21-Q25 PolarHBondContact O-N 2.96Å; Y22-Q25 PolarHBondContact O-N 3.46Å; L23-Q25 VanDerWaalsContact C-N 3.33Å; L23-Q25 PolarHBondContact O-N 2.99Å; Q25-S28 PolarHBondContact O-N 3.39Å; Q25-R29 WeakPolarHBondContact O-CG 3.45Å; Q25-R29 PolarHBondContact O-N 3.01Å |
| 26 | W | 78.2 | Confident | 70.9 | Confident | 104 Ų | 104 | 97.3 Ų | 97.3 | 39% | 0.394 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 177.4 | -175.9 | 95.4 | 0 | 0 | 0 | 112.1 | Y22 L23 R24 S28 R29 K30 L69 L72 | Y22-W26 WeakPolarHBondContact O-CB 3.35Å; Y22-W26 PolarHBondContact O-N 3.1Å; L23-W26 PolarHBondContact O-N 3.34Å; R24-W26 VanDerWaalsContact C-N 3.34Å; R24-W26 PolarHBondContact O-N 2.63Å; W26-S28 VanDerWaalsContact C-N 3.34Å; W26-S28 PolarHBondContact O-N 2.83Å; W26-R29 PolarHBondContact O-N 3.47Å; W26-K30 HydrophobicContact CD2-CG 4.09Å; W26-K30 HydrophobicContact CE3-CG 4.03Å; W26-K30 HydrophobicContact CH2-CD 4.38Å; W26-K30 HydrophobicContact CH2-CG 3.76Å; W26-K30 HydrophobicContact CZ2-CD 4.2Å; W26-K30 HydrophobicContact CZ2-CG 3.87Å; W26-K30 HydrophobicContact CZ3-CG 3.85Å; W26-K30 WeakPolarHBondContact O-CG 3.39Å; W26-K30 PolarHBondContact O-N 2.9Å; W26-L69 HydrophobicContact CH2-CD1 4.28Å; W26-L69 HydrophobicContact CZ3-CD1 3.77Å; W26-L72 HydrophobicContact CE3-CD2 4.22Å; W26-L72 HydrophobicContact CH2-CD2 3.17Å; W26-L72 HydrophobicContact CZ2-CD2 4.07Å; W26-L72 HydrophobicContact CZ3-CD2 3.27Å |
| 27 | V | 75.1 | Confident | 72.2 | Confident | 28 Ų | 28 | 96.9 Ų | 96.9 | 17% | 0.17 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | L23 R24 R29 K30 I31 | L23-V27 HydrophobicContact CD1-CG2 4.28Å; L23-V27 HydrophobicContact CG-CG2 4.38Å; L23-V27 WeakPolarHBondContact O-CG2 3.37Å; L23-V27 PolarHBondContact O-N 2.9Å; R24-V27 PolarHBondContact O-N 3.49Å; V27-R29 PolarHBondContact O-N 2.95Å; V27-K30 PolarHBondContact O-N 3.15Å; V27-K30 VanDerWaalsContact O-N 3.16Å; V27-I31 HydrophobicContact CG1-CD1 3.81Å; V27-I31 HydrophobicContact CG1-CG1 4.37Å; V27-I31 WeakPolarHBondContact O-CG1 3.38Å; V27-I31 PolarHBondContact O-N 2.88Å |
| 28 | S | 75.4 | Confident | 73.2 | Confident | 60 Ų | 60 | 96.3 Ų | 96.3 | 42% | 0.42 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 177 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | R24 Q25 W26 K30 I31 N32 | R24-S28 WeakPolarHBondContact O-CB 3.41Å; R24-S28 PolarHBondContact O-N 3.15Å; Q25-S28 PolarHBondContact O-N 3.39Å; W26-S28 VanDerWaalsContact C-N 3.34Å; W26-S28 PolarHBondContact O-N 2.83Å; S28-K30 VanDerWaalsContact C-N 3.32Å; S28-K30 PolarHBondContact O-N 3.02Å; S28-I31 PolarHBondContact O-N 3.42Å; S28-N32 PolarHBondContact O-N 3.29Å; S28-N32 PolarHBondContact O-ND2 2.82Å |
| 29 | R | 78.8 | Confident | 74.3 | Confident | 175 Ų | 175 | 93.7 Ų | 93.7 | 66% | 0.66 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.7 | -41.1 | 174.4 | -73.2 | 175.4 | -179 | -176.5 | 1.5 | 112.1 | Q25 W26 V27 N32 N33 | Q25-R29 WeakPolarHBondContact O-CG 3.45Å; Q25-R29 PolarHBondContact O-N 3.01Å; W26-R29 PolarHBondContact O-N 3.47Å; V27-R29 PolarHBondContact O-N 2.95Å; R29-N32 PolarHBondContact O-N 2.84Å; R29-N33 PolarHBondContact O-N 2.57Å; R29-N33 PolarHBondContact O-OD1 3.27Å |
| 30 | K | 78.4 | Confident | 75.3 | Confident | 89 Ų | 89 | 90.4 Ų | 90.4 | 39% | 0.387 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 177.8 | -70.1 | -62.5 | -173.8 | -179.7 | 0 | 112.5 | W26 V27 S28 N33 I34 L69 | W26-K30 HydrophobicContact CD2-CG 4.09Å; W26-K30 HydrophobicContact CE3-CG 4.03Å; W26-K30 HydrophobicContact CH2-CD 4.38Å; W26-K30 HydrophobicContact CH2-CG 3.76Å; W26-K30 HydrophobicContact CZ2-CD 4.2Å; W26-K30 HydrophobicContact CZ2-CG 3.87Å; W26-K30 HydrophobicContact CZ3-CG 3.85Å; W26-K30 WeakPolarHBondContact O-CG 3.39Å; W26-K30 PolarHBondContact O-N 2.9Å; V27-K30 PolarHBondContact O-N 3.15Å; V27-K30 VanDerWaalsContact O-N 3.16Å; S28-K30 VanDerWaalsContact C-N 3.32Å; S28-K30 PolarHBondContact O-N 3.02Å; K30-N33 PolarHBondContact O-N 2.56Å; K30-I34 WeakPolarHBondContact O-CG1 3.21Å; K30-I34 PolarHBondContact O-N 3.33Å; K30-L69 HydrophobicContact CB-CD1 4.1Å |
| 31 | I | 79.8 | Confident | 75.7 | Confident | 88 Ų | 88 | 88.3 Ų | 88.3 | 45% | 0.451 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 175.4 | -68.3 | 169.8 | 0 | 0 | 0 | 110.6 | V27 S28 N33 I34 L35 L69 | V27-I31 HydrophobicContact CG1-CD1 3.81Å; V27-I31 HydrophobicContact CG1-CG1 4.37Å; V27-I31 WeakPolarHBondContact O-CG1 3.38Å; V27-I31 PolarHBondContact O-N 2.88Å; S28-I31 PolarHBondContact O-N 3.42Å; I31-N33 VanDerWaalsContact C-N 3.31Å; I31-N33 PolarHBondContact O-N 3.23Å; I31-I34 PolarHBondContact O-N 2.85Å; I31-L35 PolarHBondContact O-N 3.26Å; I31-L69 HydrophobicContact CG1-CD2 4.24Å |
| 32 | N | 76.5 | Confident | 75.7 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 178.1 | -72.7 | -18.8 | 0 | 0 | 0 | 112.3 | S28 R29 L35 C36 | S28-N32 PolarHBondContact O-N 3.29Å; S28-N32 PolarHBondContact O-ND2 2.82Å; R29-N32 PolarHBondContact O-N 2.84Å; N32-L35 PolarHBondContact O-N 3.15Å; N32-C36 WeakPolarHBondContact O-CB 3.46Å; N32-C36 PolarHBondContact O-N 3.11Å |
| 33 | N | 76 | Confident | 76 | Confident | 97 Ų | 97 | 83.2 Ų | 83.2 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 175 | -74.7 | -2.2 | 0 | 0 | 0 | 112.1 | R29 K30 I31 L35 C36 I37 | R29-N33 PolarHBondContact O-N 2.57Å; R29-N33 PolarHBondContact O-OD1 3.27Å; K30-N33 PolarHBondContact O-N 2.56Å; I31-N33 VanDerWaalsContact C-N 3.31Å; I31-N33 PolarHBondContact O-N 3.23Å; N33-L35 VanDerWaalsContact C-N 3.34Å; N33-C36 WeakPolarHBondContact O-CB 3.24Å; N33-C36 PolarHBondContact O-N 3.32Å; N33-I37 WeakPolarHBondContact O-CG1 3.37Å; N33-I37 PolarHBondContact O-N 2.93Å |
| 34 | I | 76.6 | Confident | 76.1 | Confident | 25 Ų | 25 | 83.7 Ų | 83.7 | 13% | 0.128 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.7 | -45 | 175.9 | -68.7 | 167.1 | 0 | 0 | 0 | 110.2 | K30 I31 C36 I37 I38 V62 I66 L69 | K30-I34 WeakPolarHBondContact O-CG1 3.21Å; K30-I34 PolarHBondContact O-N 3.33Å; I31-I34 PolarHBondContact O-N 2.85Å; I34-C36 VanDerWaalsContact C-N 3.32Å; I34-C36 PolarHBondContact O-N 3.13Å; I34-I37 PolarHBondContact O-N 3.03Å; I34-I38 HydrophobicContact CG2-CD1 3.81Å; I34-I38 HydrophobicContact CG2-CG1 4.43Å; I34-I38 WeakPolarHBondContact O-CG1 3.34Å; I34-I38 PolarHBondContact O-N 2.86Å; I34-V62 HydrophobicContact CG2-CG1 4.26Å; I34-I66 HydrophobicContact CD1-CG1 4.17Å; I34-I66 HydrophobicContact CG2-CD1 4.44Å; I34-I66 HydrophobicContact CG2-CG1 4.3Å; I34-L69 HydrophobicContact CD1-CD2 4.06Å |
| 35 | L | 78.6 | Confident | 76 | Confident | 109 Ų | 109 | 80.6 Ų | 80.6 | 57% | 0.571 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 178 | -172.5 | 65 | 0 | 0 | 0 | 111.9 | I31 N32 N33 I38 N39 | I31-L35 PolarHBondContact O-N 3.26Å; N32-L35 PolarHBondContact O-N 3.15Å; N33-L35 VanDerWaalsContact C-N 3.34Å; L35-I38 PolarHBondContact O-N 2.72Å; L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 3.29Å |
| 36 | C | 77.6 | Confident | 75.7 | Confident | 77 Ų | 77 | 85.6 Ų | 85.6 | 52% | 0.52 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | N32 N33 I34 N39 T40 | N32-C36 WeakPolarHBondContact O-CB 3.46Å; N32-C36 PolarHBondContact O-N 3.11Å; N33-C36 WeakPolarHBondContact O-CB 3.24Å; N33-C36 PolarHBondContact O-N 3.32Å; I34-C36 VanDerWaalsContact C-N 3.32Å; I34-C36 PolarHBondContact O-N 3.13Å; C36-N39 PolarHBondContact O-N 3.44Å; C36-T40 WeakPolarHBondContact O-CB 3.38Å; C36-T40 PolarHBondContact O-N 3.44Å; C36-T40 PolarHBondContact O-OG1 2.93Å |
| 37 | I | 77.9 | Confident | 75.6 | Confident | 71 Ų | 71 | 87.5 Ų | 87.5 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.7 | -66.6 | 164.8 | 0 | 0 | 0 | 110.4 | N33 I34 N39 T40 L41 V62 | N33-I37 WeakPolarHBondContact O-CG1 3.37Å; N33-I37 PolarHBondContact O-N 2.93Å; I34-I37 PolarHBondContact O-N 3.03Å; I37-N39 VanDerWaalsContact C-N 3.33Å; I37-N39 PolarHBondContact O-N 3.23Å; I37-T40 PolarHBondContact O-N 3.01Å; I37-L41 HydrophobicContact CG2-CD1 3.86Å; I37-L41 HydrophobicContact CG2-CG 4.31Å; I37-L41 VanDerWaalsContact O-CG 3.27Å; I37-L41 WeakPolarHBondContact O-CG 3.45Å; I37-L41 PolarHBondContact O-N 2.94Å; I37-V62 HydrophobicContact CG2-CG2 3.62Å |
| 38 | I | 76.1 | Confident | 75.2 | Confident | 79 Ų | 79 | 97.1 Ų | 97.1 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 178.2 | -67.9 | 168.1 | 0 | 0 | 0 | 111.1 | I34 L35 L41 S42 V62 | I34-I38 HydrophobicContact CG2-CD1 3.81Å; I34-I38 HydrophobicContact CG2-CG1 4.43Å; I34-I38 WeakPolarHBondContact O-CG1 3.34Å; I34-I38 PolarHBondContact O-N 2.86Å; L35-I38 PolarHBondContact O-N 2.72Å; I38-L41 PolarHBondContact O-N 2.89Å; I38-S42 WeakPolarHBondContact O-CB 3.25Å; I38-S42 PolarHBondContact O-N 3.45Å; I38-V62 HydrophobicContact CD1-CG1 4.19Å; I38-V62 HydrophobicContact CG1-CG1 4.07Å; I38-V62 HydrophobicContact CG1-CG2 4.48Å |
| 39 | N | 76.4 | Confident | 75 | Confident | 90 Ų | 90 | 98.7 Ų | 98.7 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 178.7 | -169.6 | 34.6 | 0 | 0 | 0 | 111.5 | L35 C36 I37 L41 S42 Q43 | L35-N39 WeakPolarHBondContact O-CB 3.42Å; L35-N39 PolarHBondContact O-N 3.29Å; C36-N39 PolarHBondContact O-N 3.44Å; I37-N39 VanDerWaalsContact C-N 3.33Å; I37-N39 PolarHBondContact O-N 3.23Å; N39-L41 PolarHBondContact O-N 3.08Å; N39-S42 WeakPolarHBondContact O-CB 3.48Å; N39-S42 PolarHBondContact O-N 3.1Å; N39-Q43 WeakPolarHBondContact O-CG 3.47Å; N39-Q43 PolarHBondContact O-N 2.95Å |
| 40 | T | 77.5 | Confident | 74.6 | Confident | 62 Ų | 62 | 92.5 Ų | 92.5 | 38% | 0.38 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62 | -44 | 177.1 | -53.2 | 0 | 0 | 0 | 0 | 111 | C36 I37 S42 Q43 L44 | C36-T40 WeakPolarHBondContact O-CB 3.38Å; C36-T40 PolarHBondContact O-N 3.44Å; C36-T40 PolarHBondContact O-OG1 2.93Å; I37-T40 PolarHBondContact O-N 3.01Å; T40-S42 VanDerWaalsContact C-N 3.35Å; T40-S42 PolarHBondContact O-N 3.13Å; T40-Q43 PolarHBondContact O-N 2.96Å; T40-L44 HydrophobicContact CG2-CD1 3.78Å; T40-L44 HydrophobicContact CG2-CG 4.49Å; T40-L44 WeakPolarHBondContact O-CB 3.22Å; T40-L44 WeakPolarHBondContact O-CD1 3.46Å; T40-L44 VanDerWaalsContact O-CG 3.22Å; T40-L44 WeakPolarHBondContact O-CG 3.44Å; T40-L44 PolarHBondContact O-N 2.9Å |
| 41 | L | 71.5 | Confident | 74.5 | Confident | 29 Ų | 29 | 91 Ų | 91 | 15% | 0.152 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 175.5 | -67.7 | 171.9 | 0 | 0 | 0 | 112.5 | I37 I38 N39 L44 H45 C58 V62 | I37-L41 HydrophobicContact CG2-CD1 3.86Å; I37-L41 HydrophobicContact CG2-CG 4.31Å; I37-L41 VanDerWaalsContact O-CG 3.27Å; I37-L41 WeakPolarHBondContact O-CG 3.45Å; I37-L41 PolarHBondContact O-N 2.94Å; I38-L41 PolarHBondContact O-N 2.89Å; N39-L41 PolarHBondContact O-N 3.08Å; L41-L44 PolarHBondContact O-N 2.89Å; L41-H45 WeakPolarHBondContact O-CB 3.37Å; L41-H45 PolarHBondContact O-N 2.84Å; L41-C58 HydrophobicContact CD1-CB 3.54Å; L41-C58 HydrophobicContact CD2-CB 3.21Å; L41-C58 WeakPolarHBondContact CD2-SG 3.2Å; L41-C58 HydrophobicContact CG-CB 3.98Å; L41-V62 HydrophobicContact CD1-CG2 4.01Å |
| 42 | S | 72.7 | Confident | 74.3 | Confident | 51 Ų | 51 | 97.5 Ų | 97.5 | 36% | 0.357 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 175.7 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | I38 N39 T40 H45 R46 | I38-S42 WeakPolarHBondContact O-CB 3.25Å; I38-S42 PolarHBondContact O-N 3.45Å; N39-S42 WeakPolarHBondContact O-CB 3.48Å; N39-S42 PolarHBondContact O-N 3.1Å; T40-S42 VanDerWaalsContact C-N 3.35Å; T40-S42 PolarHBondContact O-N 3.13Å; S42-H45 PolarHBondContact O-N 2.89Å; S42-R46 WeakPolarHBondContact O-CG 3.48Å; S42-R46 PolarHBondContact O-N 2.89Å |
| 43 | Q | 73.9 | Confident | 74.4 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 176.3 | -70.4 | 178.9 | 3.7 | 0 | 0 | 111.6 | N39 T40 H45 R46 H47 | N39-Q43 WeakPolarHBondContact O-CG 3.47Å; N39-Q43 PolarHBondContact O-N 2.95Å; T40-Q43 PolarHBondContact O-N 2.96Å; Q43-H45 VanDerWaalsContact C-N 3.31Å; Q43-H45 PolarHBondContact O-N 3.49Å; Q43-R46 PolarHBondContact O-N 3.22Å; Q43-H47 PolarHBondContact O-CD2 2.98Å; Q43-H47 PolarHBondContact O-N 3.49Å |
| 44 | L | 73.5 | Confident | 74.4 | Confident | 58 Ų | 58 | 94.3 Ų | 94.3 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 179.4 | -70.1 | 162.9 | 0 | 0 | 0 | 112.3 | T40 L41 R48 T49 I50 | T40-L44 HydrophobicContact CG2-CD1 3.78Å; T40-L44 HydrophobicContact CG2-CG 4.49Å; T40-L44 WeakPolarHBondContact O-CB 3.22Å; T40-L44 WeakPolarHBondContact O-CD1 3.46Å; T40-L44 VanDerWaalsContact O-CG 3.22Å; T40-L44 WeakPolarHBondContact O-CG 3.44Å; T40-L44 PolarHBondContact O-N 2.9Å; L41-L44 PolarHBondContact O-N 2.89Å; L44-R48 PolarHBondContact O-N 3.44Å; L44-T49 WeakPolarHBondContact CD2-OG1 3.41Å; L44-T49 PolarHBondContact O-N 3.49Å; L44-T49 PolarHBondContact O-OG1 2.91Å; L44-I50 HydrophobicContact CB-CD1 3.6Å; L44-I50 HydrophobicContact CB-CG1 3.96Å; L44-I50 HydrophobicContact CD1-CD1 3.53Å; L44-I50 HydrophobicContact CD2-CD1 3.89Å; L44-I50 HydrophobicContact CD2-CG1 4.28Å; L44-I50 HydrophobicContact CG-CD1 3.84Å; L44-I50 HydrophobicContact CG-CG1 4.5Å |
| 45 | H | 69 | Low | 74.2 | Confident | 109 Ų | 109 | 94.3 Ų | 94.3 | 51% | 0.505 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 174.4 | -169.3 | 70.9 | 0 | 0 | 0 | 112.1 | L41 S42 Q43 H47 R48 | L41-H45 WeakPolarHBondContact O-CB 3.37Å; L41-H45 PolarHBondContact O-N 2.84Å; S42-H45 PolarHBondContact O-N 2.89Å; Q43-H45 VanDerWaalsContact C-N 3.31Å; Q43-H45 PolarHBondContact O-N 3.49Å; H45-H47 VanDerWaalsContact C-N 3.32Å; H45-H47 PolarHBondContact O-N 3.44Å; H45-R48 PolarHBondContact O-N 3.24Å; H45-R48 VanDerWaalsContact O-N 3.11Å |
| 46 | R | 70.6 | Confident | 74.1 | Confident | 202 Ų | 202 | 92 Ų | 92 | 76% | 0.762 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.6 | -38.8 | 177.6 | -76 | 177.9 | -177.6 | -169.4 | 1.1 | 112.6 | S42 Q43 R48 | S42-R46 WeakPolarHBondContact O-CG 3.48Å; S42-R46 PolarHBondContact O-N 2.89Å; Q43-R46 PolarHBondContact O-N 3.22Å; R46-R48 PolarHBondContact O-N 3.4Å |
| 47 | H | 76 | Confident | 74.1 | Confident | 144 Ų | 144 | 96.6 Ų | 96.6 | 67% | 0.667 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 4.6 | 178.3 | -70.9 | -68.5 | 0 | 0 | 0 | 113.8 | Q43 H45 T49 | Q43-H47 PolarHBondContact O-CD2 2.98Å; Q43-H47 PolarHBondContact O-N 3.49Å; H45-H47 VanDerWaalsContact C-N 3.32Å; H45-H47 PolarHBondContact O-N 3.44Å; H47-T49 HydrophobicContact CB-CG2 3.9Å; H47-T49 PolarHBondContact O-N 3.19Å |
| 48 | R | 67.2 | Low | 74 | Confident | 230 Ų | 230 | 94.9 Ų | 94.9 | 87% | 0.868 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 26.1 | -174.9 | -67.9 | -173.7 | 177.5 | -177.8 | 0.7 | 113.3 | L44 H45 R46 I50 | L44-R48 PolarHBondContact O-N 3.44Å; H45-R48 PolarHBondContact O-N 3.24Å; H45-R48 VanDerWaalsContact O-N 3.11Å; R46-R48 PolarHBondContact O-N 3.4Å; R48-I50 PolarHBondContact O-N 2.95Å |
| 49 | T | 71.1 | Confident | 74.1 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 57% | 0.571 | 47% | 0.466 | S | S | * | . | trans | -78.2 | -12.4 | -177.6 | 45.7 | 0 | 0 | 0 | 0 | 112 | L44 H47 | L44-T49 WeakPolarHBondContact CD2-OG1 3.41Å; L44-T49 PolarHBondContact O-N 3.49Å; L44-T49 PolarHBondContact O-OG1 2.91Å; H47-T49 HydrophobicContact CB-CG2 3.9Å; H47-T49 PolarHBondContact O-N 3.19Å | ||
| 50 | I | 70 | Confident | 74.1 | Confident | 46 Ų | 46 | 96 Ų | 96 | 24% | 0.236 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -131 | 134.6 | -169.4 | -63.1 | -161.3 | 0 | 0 | 0 | 111 | L44 R48 T54 | L44-I50 HydrophobicContact CB-CD1 3.6Å; L44-I50 HydrophobicContact CB-CG1 3.96Å; L44-I50 HydrophobicContact CD1-CD1 3.53Å; L44-I50 HydrophobicContact CD2-CD1 3.89Å; L44-I50 HydrophobicContact CD2-CG1 4.28Å; L44-I50 HydrophobicContact CG-CD1 3.84Å; L44-I50 HydrophobicContact CG-CG1 4.5Å; R48-I50 PolarHBondContact O-N 2.95Å; I50-T54 HydrophobicContact CD1-CG2 4.46Å; I50-T54 HydrophobicContact CG2-CG2 3.33Å |
| 51 | S | 76.8 | Confident | 74.2 | Confident | 58 Ų | 58 | 96.6 Ų | 96.6 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | trans | -62.9 | 157.5 | 176 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | S53 T54 T55 | S51-S53 PolarHBondContact O-N 2.91Å; S51-S53 PolarHBondContact OG-OG 3.4Å; S51-T54 PolarHBondContact O-N 3.44Å; S51-T54 PolarHBondContact OG-N 3.2Å; S51-T54 PolarHBondContact OG-OG1 3.09Å; S51-T54 VanDerWaalsContact OG-OG1 3.08Å; S51-T55 PolarHBondContact O-N 3.38Å; S51-T55 PolarHBondContact O-OG1 2.74Å | ||
| 52 | R | 74.5 | Confident | 74.5 | Confident | 224 Ų | 224 | 96 Ų | 96 | 85% | 0.845 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -56.3 | -37.2 | 171.9 | -72.5 | -175.9 | 176.3 | -174.4 | -1.1 | 112 | T55 S56 | R52-T55 PolarHBondContact O-N 3.14Å; R52-S56 WeakPolarHBondContact O-CB 3.37Å; R52-S56 PolarHBondContact O-N 3.43Å |
| 53 | S | 79.2 | Confident | 74.7 | Confident | 70 Ų | 70 | 101.5 Ų | 101.5 | 49% | 0.49 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | S51 S56 R57 | S51-S53 PolarHBondContact O-N 2.91Å; S51-S53 PolarHBondContact OG-OG 3.4Å; S53-S56 PolarHBondContact O-N 3.5Å; S53-R57 WeakPolarHBondContact O-CG 3.47Å; S53-R57 PolarHBondContact O-N 2.89Å |
| 54 | T | 76.4 | Confident | 74.8 | Confident | 52 Ų | 52 | 103.8 Ų | 103.8 | 32% | 0.319 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70 | -38.6 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | I50 S51 S56 R57 C58 | I50-T54 HydrophobicContact CD1-CG2 4.46Å; I50-T54 HydrophobicContact CG2-CG2 3.33Å; S51-T54 PolarHBondContact O-N 3.44Å; S51-T54 PolarHBondContact OG-N 3.2Å; S51-T54 PolarHBondContact OG-OG1 3.09Å; S51-T54 VanDerWaalsContact OG-OG1 3.08Å; T54-S56 VanDerWaalsContact C-N 3.32Å; T54-S56 PolarHBondContact O-N 2.93Å; T54-R57 PolarHBondContact O-N 2.73Å; T54-C58 WeakPolarHBondContact O-CB 3.39Å; T54-C58 PolarHBondContact O-N 2.92Å; T54-C58 PolarHBondContact O-SG 3.32Å |
| 55 | T | 72.5 | Confident | 74.9 | Confident | 24 Ų | 24 | 105.1 Ų | 105.1 | 15% | 0.147 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 173.4 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | S51 R52 C58 I59 | S51-T55 PolarHBondContact O-N 3.38Å; S51-T55 PolarHBondContact O-OG1 2.74Å; R52-T55 PolarHBondContact O-N 3.14Å; T55-C58 PolarHBondContact O-N 3.47Å; T55-I59 HydrophobicContact CG2-CD1 4.16Å; T55-I59 WeakPolarHBondContact O-CG1 3.3Å; T55-I59 PolarHBondContact O-N 2.94Å |
| 56 | S | 76.4 | Confident | 75.5 | Confident | 60 Ų | 60 | 103 Ų | 103 | 42% | 0.42 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 176.1 | -167.4 | 0 | 0 | 0 | 0 | 111.6 | R52 S53 T54 C58 I59 D60 | R52-S56 WeakPolarHBondContact O-CB 3.37Å; R52-S56 PolarHBondContact O-N 3.43Å; S53-S56 PolarHBondContact O-N 3.5Å; T54-S56 VanDerWaalsContact C-N 3.32Å; T54-S56 PolarHBondContact O-N 2.93Å; S56-C58 PolarHBondContact O-N 2.96Å; S56-I59 WeakPolarHBondContact O-CB 3.4Å; S56-I59 PolarHBondContact O-N 3.41Å; S56-D60 VanDerWaalsContact O-CG 3.23Å; S56-D60 PolarHBondContact O-N 3.46Å |
| 57 | R | 77 | Confident | 75.8 | Confident | 175 Ų | 175 | 95.9 Ų | 95.9 | 66% | 0.66 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -56.6 | -37.8 | 178.1 | -73.1 | 177 | -179.7 | -176.9 | -0.1 | 112.3 | S53 T54 T61 | S53-R57 WeakPolarHBondContact O-CG 3.47Å; S53-R57 PolarHBondContact O-N 2.89Å; T54-R57 PolarHBondContact O-N 2.73Å; R57-T61 WeakPolarHBondContact O-CB 3.32Å; R57-T61 PolarHBondContact O-N 3.36Å; R57-T61 PolarHBondContact O-OG1 3.32Å |
| 58 | C | 75.7 | Confident | 76 | Confident | 35 Ų | 35 | 92.6 Ų | 92.6 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -70.2 | -40.4 | 177.3 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | L41 T54 T55 S56 D60 T61 V62 | L41-C58 HydrophobicContact CD1-CB 3.54Å; L41-C58 HydrophobicContact CD2-CB 3.21Å; L41-C58 WeakPolarHBondContact CD2-SG 3.2Å; L41-C58 HydrophobicContact CG-CB 3.98Å; T54-C58 WeakPolarHBondContact O-CB 3.39Å; T54-C58 PolarHBondContact O-N 2.92Å; T54-C58 PolarHBondContact O-SG 3.32Å; T55-C58 PolarHBondContact O-N 3.47Å; S56-C58 PolarHBondContact O-N 2.96Å; C58-D60 VanDerWaalsContact C-N 3.34Å; C58-T61 WeakPolarHBondContact O-CB 3.16Å; C58-T61 PolarHBondContact O-N 3.47Å; C58-V62 WeakPolarHBondContact O-CG2 3.46Å; C58-V62 PolarHBondContact O-N 3.33Å |
| 59 | I | 79.1 | Confident | 76.6 | Confident | 99 Ų | 99 | 82.7 Ų | 82.7 | 51% | 0.508 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 172.9 | -68.7 | 167.1 | 0 | 0 | 0 | 110.3 | T55 S56 T61 V62 Y63 | T55-I59 HydrophobicContact CG2-CD1 4.16Å; T55-I59 WeakPolarHBondContact O-CG1 3.3Å; T55-I59 PolarHBondContact O-N 2.94Å; S56-I59 WeakPolarHBondContact O-CB 3.4Å; S56-I59 PolarHBondContact O-N 3.41Å; I59-T61 VanDerWaalsContact C-N 3.27Å; I59-T61 PolarHBondContact O-N 2.93Å; I59-V62 PolarHBondContact O-N 3.01Å; I59-V62 VanDerWaalsContact O-N 3.16Å; I59-Y63 WeakPolarHBondContact O-CB 3.43Å; I59-Y63 PolarHBondContact O-N 3.5Å |
| 60 | D | 76.4 | Confident | 77.1 | Confident | 94 Ų | 94 | 82.9 Ų | 82.9 | 50% | 0.503 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.6 | -40.1 | 177.1 | -63.1 | -33 | 0 | 0 | 0 | 111.2 | S56 C58 Y63 Y64 | S56-D60 VanDerWaalsContact O-CG 3.23Å; S56-D60 PolarHBondContact O-N 3.46Å; C58-D60 VanDerWaalsContact C-N 3.34Å; D60-Y63 PolarHBondContact O-N 3.45Å; D60-Y64 WeakPolarHBondContact O-CB 3.29Å; D60-Y64 PolarHBondContact O-N 3.29Å |
| 61 | T | 78.1 | Confident | 77.5 | Confident | 73 Ų | 73 | 85.8 Ų | 85.8 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | R57 C58 I59 Y64 H65 | R57-T61 WeakPolarHBondContact O-CB 3.32Å; R57-T61 PolarHBondContact O-N 3.36Å; R57-T61 PolarHBondContact O-OG1 3.32Å; C58-T61 WeakPolarHBondContact O-CB 3.16Å; C58-T61 PolarHBondContact O-N 3.47Å; I59-T61 VanDerWaalsContact C-N 3.27Å; I59-T61 PolarHBondContact O-N 2.93Å; T61-Y64 PolarHBondContact O-N 3.5Å; T61-H65 PolarHBondContact O-CD2 3.16Å; T61-H65 PolarHBondContact O-N 3.4Å |
| 62 | V | 78 | Confident | 77.6 | Confident | 17 Ų | 17 | 86.1 Ų | 86.1 | 10% | 0.103 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | I34 I37 I38 L41 C58 I59 Y64 H65 I66 | I34-V62 HydrophobicContact CG2-CG1 4.26Å; I37-V62 HydrophobicContact CG2-CG2 3.62Å; I38-V62 HydrophobicContact CD1-CG1 4.19Å; I38-V62 HydrophobicContact CG1-CG1 4.07Å; I38-V62 HydrophobicContact CG1-CG2 4.48Å; L41-V62 HydrophobicContact CD1-CG2 4.01Å; C58-V62 WeakPolarHBondContact O-CG2 3.46Å; C58-V62 PolarHBondContact O-N 3.33Å; I59-V62 PolarHBondContact O-N 3.01Å; I59-V62 VanDerWaalsContact O-N 3.16Å; V62-Y64 VanDerWaalsContact C-N 3.34Å; V62-Y64 PolarHBondContact O-N 3.04Å; V62-H65 PolarHBondContact O-N 3.48Å; V62-I66 HydrophobicContact CG1-CD1 3.79Å; V62-I66 HydrophobicContact CG1-CG1 4.43Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.31Å |
| 63 | Y | 77 | Confident | 77.8 | Confident | 167 Ų | 167 | 78.9 Ų | 78.9 | 66% | 0.655 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.6 | -43.1 | 177.4 | -175.8 | -95.1 | 0 | 0 | 0 | 111.9 | I59 D60 I66 T67 | I59-Y63 WeakPolarHBondContact O-CB 3.43Å; I59-Y63 PolarHBondContact O-N 3.5Å; D60-Y63 PolarHBondContact O-N 3.45Å; Y63-I66 PolarHBondContact O-N 2.97Å; Y63-T67 WeakPolarHBondContact O-CB 3.33Å; Y63-T67 PolarHBondContact O-N 2.85Å; Y63-T67 PolarHBondContact O-OG1 3.39Å |
| 64 | Y | 76.2 | Confident | 77.8 | Confident | 149 Ų | 149 | 78.7 Ų | 78.7 | 58% | 0.584 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.2 | -45.5 | 174.6 | -177.4 | -103.7 | 0 | 0 | 0 | 112.1 | D60 T61 V62 I66 T67 I68 | D60-Y64 WeakPolarHBondContact O-CB 3.29Å; D60-Y64 PolarHBondContact O-N 3.29Å; T61-Y64 PolarHBondContact O-N 3.5Å; V62-Y64 VanDerWaalsContact C-N 3.34Å; V62-Y64 PolarHBondContact O-N 3.04Å; Y64-I66 PolarHBondContact O-N 3.47Å; Y64-T67 PolarHBondContact O-N 2.84Å; Y64-I68 HydrophobicContact CD1-CD1 3.71Å; Y64-I68 HydrophobicContact CE1-CD1 3.19Å; Y64-I68 HydrophobicContact CE1-CG1 4.33Å; Y64-I68 HydrophobicContact CE2-CD1 4.2Å; Y64-I68 HydrophobicContact CG-CD1 4.41Å; Y64-I68 VanDerWaalsContact CZ-CD1 3.47Å; Y64-I68 WeakPolarHBondContact O-CG1 3.34Å; Y64-I68 PolarHBondContact O-N 2.9Å |
| 65 | H | 76.7 | Confident | 77.7 | Confident | 86 Ų | 86 | 80.3 Ų | 80.3 | 40% | 0.398 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 176.9 | -77.8 | -55 | 0 | 0 | 0 | 113.4 | T61 V62 L69 | T61-H65 PolarHBondContact O-CD2 3.16Å; T61-H65 PolarHBondContact O-N 3.4Å; V62-H65 PolarHBondContact O-N 3.48Å; H65-L69 WeakPolarHBondContact O-CB 3.43Å; H65-L69 PolarHBondContact O-N 3.42Å |
| 66 | I | 80.3 | Confident | 77.9 | Confident | 65 Ų | 65 | 81 Ų | 81 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.1 | -68.8 | 168.3 | 0 | 0 | 0 | 110.3 | I34 V62 Y63 Y64 I68 L69 I70 | I34-I66 HydrophobicContact CD1-CG1 4.17Å; I34-I66 HydrophobicContact CG2-CD1 4.44Å; I34-I66 HydrophobicContact CG2-CG1 4.3Å; V62-I66 HydrophobicContact CG1-CD1 3.79Å; V62-I66 HydrophobicContact CG1-CG1 4.43Å; V62-I66 WeakPolarHBondContact O-CG1 3.32Å; V62-I66 PolarHBondContact O-N 3.31Å; Y63-I66 PolarHBondContact O-N 2.97Å; Y64-I66 PolarHBondContact O-N 3.47Å; I66-I68 PolarHBondContact O-N 3.48Å; I66-L69 WeakPolarHBondContact O-CB 3.46Å; I66-L69 PolarHBondContact O-N 2.96Å; I66-L69 VanDerWaalsContact O-N 3.15Å; I66-I70 HydrophobicContact CG2-CD1 3.87Å; I66-I70 HydrophobicContact CG2-CG1 4.46Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 2.91Å |
| 67 | T | 78 | Confident | 77.7 | Confident | 53 Ų | 53 | 82.4 Ų | 82.4 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 179.3 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | Y63 Y64 L69 I70 L71 | Y63-T67 WeakPolarHBondContact O-CB 3.33Å; Y63-T67 PolarHBondContact O-N 2.85Å; Y63-T67 PolarHBondContact O-OG1 3.39Å; Y64-T67 PolarHBondContact O-N 2.84Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 3.41Å; T67-I70 PolarHBondContact O-N 3.48Å; T67-L71 HydrophobicContact CG2-CD1 4.28Å; T67-L71 WeakPolarHBondContact O-CG 3.43Å; T67-L71 PolarHBondContact O-N 3.4Å |
| 68 | I | 79.9 | Confident | 77.4 | Confident | 75 Ų | 75 | 81.2 Ų | 81.2 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.8 | -70.7 | 171.9 | 0 | 0 | 0 | 111.3 | Y64 I66 I70 L71 L72 | Y64-I68 HydrophobicContact CD1-CD1 3.71Å; Y64-I68 HydrophobicContact CE1-CD1 3.19Å; Y64-I68 HydrophobicContact CE1-CG1 4.33Å; Y64-I68 HydrophobicContact CE2-CD1 4.2Å; Y64-I68 HydrophobicContact CG-CD1 4.41Å; Y64-I68 VanDerWaalsContact CZ-CD1 3.47Å; Y64-I68 WeakPolarHBondContact O-CG1 3.34Å; Y64-I68 PolarHBondContact O-N 2.9Å; I66-I68 PolarHBondContact O-N 3.48Å; I68-I70 VanDerWaalsContact C-N 3.34Å; I68-I70 PolarHBondContact O-N 3.33Å; I68-L71 PolarHBondContact O-N 2.9Å; I68-L72 WeakPolarHBondContact O-CB 3.34Å; I68-L72 PolarHBondContact O-N 3.19Å |
| 69 | L | 78.8 | Confident | 77.2 | Confident | 22 Ų | 22 | 84.6 Ų | 84.6 | 12% | 0.115 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | -179.9 | -174.5 | 66.4 | 0 | 0 | 0 | 111.4 | W26 K30 I31 I34 H65 I66 T67 L72 I73 | W26-L69 HydrophobicContact CH2-CD1 4.28Å; W26-L69 HydrophobicContact CZ3-CD1 3.77Å; K30-L69 HydrophobicContact CB-CD1 4.1Å; I31-L69 HydrophobicContact CG1-CD2 4.24Å; I34-L69 HydrophobicContact CD1-CD2 4.06Å; H65-L69 WeakPolarHBondContact O-CB 3.43Å; H65-L69 PolarHBondContact O-N 3.42Å; I66-L69 WeakPolarHBondContact O-CB 3.46Å; I66-L69 PolarHBondContact O-N 2.96Å; I66-L69 VanDerWaalsContact O-N 3.15Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 3.41Å; L69-L72 PolarHBondContact O-N 3.02Å; L69-I73 HydrophobicContact CG-CD1 4.21Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.44Å; L69-I73 PolarHBondContact O-N 3.01Å |
| 70 | I | 81.6 | Confident | 76.3 | Confident | 97 Ų | 97 | 83.1 Ų | 83.1 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 176.5 | -67.5 | 169.4 | 0 | 0 | 0 | 110.7 | I66 T67 I68 L72 I73 V74 | I66-I70 HydrophobicContact CG2-CD1 3.87Å; I66-I70 HydrophobicContact CG2-CG1 4.46Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 2.91Å; T67-I70 PolarHBondContact O-N 3.48Å; I68-I70 VanDerWaalsContact C-N 3.34Å; I68-I70 PolarHBondContact O-N 3.33Å; I70-L72 VanDerWaalsContact C-N 3.26Å; I70-L72 PolarHBondContact O-N 2.92Å; I70-I73 PolarHBondContact O-N 3.42Å; I70-V74 HydrophobicContact CG2-CG2 4.47Å; I70-V74 WeakPolarHBondContact O-CG2 3.38Å; I70-V74 PolarHBondContact O-N 3.02Å |
| 71 | L | 79.3 | Confident | 75.6 | Confident | 107 Ų | 107 | 84.3 Ų | 84.3 | 56% | 0.56 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.5 | -39.6 | 177.7 | -74.5 | 170.7 | 0 | 0 | 0 | 112.2 | T67 I68 V74 T75 | T67-L71 HydrophobicContact CG2-CD1 4.28Å; T67-L71 WeakPolarHBondContact O-CG 3.43Å; T67-L71 PolarHBondContact O-N 3.4Å; I68-L71 PolarHBondContact O-N 2.9Å; L71-V74 PolarHBondContact O-N 3.37Å; L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 PolarHBondContact O-N 2.91Å; L71-T75 PolarHBondContact O-OG1 3.2Å |
| 72 | L | 79.3 | Confident | 74.7 | Confident | 65 Ų | 65 | 83.4 Ų | 83.4 | 34% | 0.34 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 177.2 | -168 | 77.6 | 0 | 0 | 0 | 111.7 | W26 I68 L69 I70 V74 T75 I76 | W26-L72 HydrophobicContact CE3-CD2 4.22Å; W26-L72 HydrophobicContact CH2-CD2 3.17Å; W26-L72 HydrophobicContact CZ2-CD2 4.07Å; W26-L72 HydrophobicContact CZ3-CD2 3.27Å; I68-L72 WeakPolarHBondContact O-CB 3.34Å; I68-L72 PolarHBondContact O-N 3.19Å; L69-L72 PolarHBondContact O-N 3.02Å; I70-L72 VanDerWaalsContact C-N 3.26Å; I70-L72 PolarHBondContact O-N 2.92Å; L72-V74 VanDerWaalsContact C-N 3.32Å; L72-V74 PolarHBondContact O-N 2.95Å; L72-T75 PolarHBondContact O-N 2.78Å; L72-I76 HydrophobicContact CD2-CD1 4.22Å; L72-I76 HydrophobicContact CG-CD1 3.83Å; L72-I76 WeakPolarHBondContact O-CD1 3.39Å; L72-I76 VanDerWaalsContact O-CG1 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.43Å; L72-I76 PolarHBondContact O-N 2.97Å |
| 73 | I | 79 | Confident | 73.7 | Confident | 72 Ų | 72 | 87 Ų | 87 | 37% | 0.369 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 176.5 | -69.6 | 166.1 | 0 | 0 | 0 | 110.6 | L69 I70 T75 I76 T77 | L69-I73 HydrophobicContact CG-CD1 4.21Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.44Å; L69-I73 PolarHBondContact O-N 3.01Å; I70-I73 PolarHBondContact O-N 3.42Å; I73-T75 VanDerWaalsContact C-N 3.35Å; I73-T75 PolarHBondContact O-N 3.38Å; I73-I76 PolarHBondContact O-N 3.33Å; I73-T77 WeakPolarHBondContact O-CB 3.31Å; I73-T77 PolarHBondContact O-N 3.35Å; I73-T77 PolarHBondContact O-OG1 3.48Å |
| 74 | V | 78.7 | Confident | 72.5 | Confident | 65 Ų | 65 | 84.7 Ų | 84.7 | 39% | 0.394 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 177.1 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | I70 L71 L72 T77 K78 | I70-V74 HydrophobicContact CG2-CG2 4.47Å; I70-V74 WeakPolarHBondContact O-CG2 3.38Å; I70-V74 PolarHBondContact O-N 3.02Å; L71-V74 PolarHBondContact O-N 3.37Å; L72-V74 VanDerWaalsContact C-N 3.32Å; L72-V74 PolarHBondContact O-N 2.95Å; V74-T77 PolarHBondContact O-N 3.38Å; V74-K78 HydrophobicContact CG1-CD 4.32Å; V74-K78 WeakPolarHBondContact O-CG 3.43Å; V74-K78 PolarHBondContact O-N 2.77Å |
| 75 | T | 74.9 | Confident | 71.6 | Confident | 86 Ų | 86 | 81.1 Ų | 81.1 | 53% | 0.528 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 179.4 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | L71 L72 I73 T77 K78 L79 | L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 PolarHBondContact O-N 2.91Å; L71-T75 PolarHBondContact O-OG1 3.2Å; L72-T75 PolarHBondContact O-N 2.78Å; I73-T75 VanDerWaalsContact C-N 3.35Å; I73-T75 PolarHBondContact O-N 3.38Å; T75-T77 VanDerWaalsContact C-N 3.33Å; T75-T77 PolarHBondContact O-N 3.2Å; T75-K78 PolarHBondContact O-N 3.24Å; T75-L79 WeakPolarHBondContact O-CB 3.42Å; T75-L79 PolarHBondContact O-N 2.93Å |
| 76 | I | 75.6 | Confident | 70.5 | Confident | 39 Ų | 39 | 80.8 Ų | 80.8 | 20% | 0.2 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67 | -37.4 | 178.7 | -63.7 | 158.6 | 0 | 0 | 0 | 111.5 | L23 L72 I73 L79 S80 | L23-I76 HydrophobicContact CD1-CD1 3.39Å; L23-I76 HydrophobicContact CD2-CB 4.43Å; L23-I76 HydrophobicContact CD2-CD1 4.02Å; L23-I76 HydrophobicContact CD2-CG2 3.53Å; L23-I76 HydrophobicContact CG-CD1 4.31Å; L72-I76 HydrophobicContact CD2-CD1 4.22Å; L72-I76 HydrophobicContact CG-CD1 3.83Å; L72-I76 WeakPolarHBondContact O-CD1 3.39Å; L72-I76 VanDerWaalsContact O-CG1 3.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.43Å; L72-I76 PolarHBondContact O-N 2.97Å; I73-I76 PolarHBondContact O-N 3.33Å; I76-L79 PolarHBondContact O-N 2.93Å; I76-S80 VanDerWaalsContact O-CB 3.29Å; I76-S80 WeakPolarHBondContact O-CB 3.48Å; I76-S80 PolarHBondContact O-N 3.4Å; I76-S80 PolarHBondContact O-OG 3.22Å |
| 77 | T | 72.9 | Confident | 69.2 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 55% | 0.546 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 175.9 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | I73 V74 T75 S80 H81 | I73-T77 WeakPolarHBondContact O-CB 3.31Å; I73-T77 PolarHBondContact O-N 3.35Å; I73-T77 PolarHBondContact O-OG1 3.48Å; V74-T77 PolarHBondContact O-N 3.38Å; T75-T77 VanDerWaalsContact C-N 3.33Å; T75-T77 PolarHBondContact O-N 3.2Å; T77-S80 PolarHBondContact O-N 3.32Å; T77-H81 WeakPolarHBondContact O-CB 3.33Å; T77-H81 PolarHBondContact O-N 2.94Å |
| 78 | K | 70.4 | Confident | 67.9 | Low | 151 Ų | 151 | 84.7 Ų | 84.7 | 66% | 0.657 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.4 | -44 | 175 | -74.2 | -177.3 | 178 | -175.7 | 0 | 112.3 | V74 T75 H81 S82 | V74-K78 HydrophobicContact CG1-CD 4.32Å; V74-K78 WeakPolarHBondContact O-CG 3.43Å; V74-K78 PolarHBondContact O-N 2.77Å; T75-K78 PolarHBondContact O-N 3.24Å; K78-H81 PolarHBondContact O-N 3.15Å; K78-S82 PolarHBondContact O-N 3.45Å |
| 79 | L | 70.9 | Confident | 66.7 | Low | 106 Ų | 106 | 86.7 Ų | 86.7 | 56% | 0.555 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 178.3 | -169.9 | 70.9 | 0 | 0 | 0 | 111.6 | T75 I76 H81 S82 N83 | T75-L79 WeakPolarHBondContact O-CB 3.42Å; T75-L79 PolarHBondContact O-N 2.93Å; I76-L79 PolarHBondContact O-N 2.93Å; L79-H81 VanDerWaalsContact C-N 3.32Å; L79-H81 PolarHBondContact O-N 3.02Å; L79-S82 PolarHBondContact O-N 3.01Å; L79-N83 WeakPolarHBondContact O-CB 3.45Å; L79-N83 VanDerWaalsContact O-CG 3.3Å; L79-N83 PolarHBondContact O-N 3.36Å; L79-N83 PolarHBondContact O-ND2 2.94Å |
| 80 | S | 61.5 | Low | 65.3 | Low | 67 Ų | 67 | 91.1 Ų | 91.1 | 47% | 0.469 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 176.7 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | I76 T77 Y84 | I76-S80 VanDerWaalsContact O-CB 3.29Å; I76-S80 WeakPolarHBondContact O-CB 3.48Å; I76-S80 PolarHBondContact O-N 3.4Å; I76-S80 PolarHBondContact O-OG 3.22Å; T77-S80 PolarHBondContact O-N 3.32Å; S80-Y84 VanDerWaalsContact O-CB 3.3Å; S80-Y84 WeakPolarHBondContact O-CB 3.38Å; S80-Y84 PolarHBondContact O-N 2.89Å |
| 81 | H | 61.2 | Low | 64 | Low | 119 Ų | 119 | 91.8 Ų | 91.8 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.4 | -43.2 | 176.4 | -165.3 | 60.2 | 0 | 0 | 0 | 112.1 | T77 K78 L79 N83 Y84 I85 | T77-H81 WeakPolarHBondContact O-CB 3.33Å; T77-H81 PolarHBondContact O-N 2.94Å; K78-H81 PolarHBondContact O-N 3.15Å; L79-H81 VanDerWaalsContact C-N 3.32Å; L79-H81 PolarHBondContact O-N 3.02Å; H81-N83 PolarHBondContact O-N 3.46Å; H81-Y84 WeakPolarHBondContact O-CB 3.45Å; H81-Y84 PolarHBondContact O-N 3.34Å; H81-I85 WeakPolarHBondContact O-CG1 3.42Å; H81-I85 PolarHBondContact O-N 3.46Å |
| 82 | S | 59.8 | Low | 62.6 | Low | 54 Ų | 54 | 91.4 Ų | 91.4 | 38% | 0.378 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 174.4 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | K78 L79 Y84 I85 N86 | K78-S82 PolarHBondContact O-N 3.45Å; L79-S82 PolarHBondContact O-N 3.01Å; S82-Y84 VanDerWaalsContact C-N 3.32Å; S82-Y84 PolarHBondContact O-N 3.01Å; S82-I85 PolarHBondContact O-N 3.36Å; S82-N86 WeakPolarHBondContact O-CB 3.37Å; S82-N86 VanDerWaalsContact O-CG 3.3Å; S82-N86 PolarHBondContact O-N 2.96Å; S82-N86 PolarHBondContact O-ND2 3.49Å |
| 83 | N | 56.1 | Low | 61.1 | Low | 92 Ų | 92 | 91.8 Ų | 91.8 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.7 | -35.6 | 176.4 | -71.5 | -15.4 | 0 | 0 | 0 | 112.5 | L79 H81 S87 | L79-N83 WeakPolarHBondContact O-CB 3.45Å; L79-N83 VanDerWaalsContact O-CG 3.3Å; L79-N83 PolarHBondContact O-N 3.36Å; L79-N83 PolarHBondContact O-ND2 2.94Å; H81-N83 PolarHBondContact O-N 3.46Å; N83-S87 WeakPolarHBondContact O-CB 3.35Å; N83-S87 PolarHBondContact O-N 2.96Å; N83-S87 PolarHBondContact O-OG 2.9Å |
| 84 | Y | 51.3 | Low | 59.8 | Low | 119 Ų | 119 | 91.7 Ų | 91.7 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 174 | -177.1 | -98.4 | 0 | 0 | 0 | 112.1 | S80 H81 S82 S87 R88 | S80-Y84 VanDerWaalsContact O-CB 3.3Å; S80-Y84 WeakPolarHBondContact O-CB 3.38Å; S80-Y84 PolarHBondContact O-N 2.89Å; H81-Y84 WeakPolarHBondContact O-CB 3.45Å; H81-Y84 PolarHBondContact O-N 3.34Å; S82-Y84 VanDerWaalsContact C-N 3.32Å; S82-Y84 PolarHBondContact O-N 3.01Å; Y84-S87 WeakPolarHBondContact CA-OG 3.34Å; Y84-S87 PolarHBondContact O-OG 3.47Å; Y84-R88 HydrophobicContact CE1-CG 4.38Å; Y84-R88 PolarHBondContact O-N 3.23Å; Y84-R88 VanDerWaalsContact O-N 3.08Å; Y84-R88 PolarHBondContact OH-NE 3.41Å; Y84-R88 PolarHBondContact OH-NH2 2.94Å; Y84-R88 VanDerWaalsContact OH-NH2 3.13Å |
| 85 | I | 57.6 | Low | 58.5 | Low | 74 Ų | 74 | 91.1 Ų | 91.1 | 38% | 0.379 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 175.9 | -68.3 | 165.6 | 0 | 0 | 0 | 110.4 | H81 S82 S87 R88 Q89 | H81-I85 WeakPolarHBondContact O-CG1 3.42Å; H81-I85 PolarHBondContact O-N 3.46Å; S82-I85 PolarHBondContact O-N 3.36Å; I85-S87 PolarHBondContact O-N 3.32Å; I85-R88 PolarHBondContact O-N 3.36Å; I85-Q89 PolarHBondContact O-N 3.39Å |
| 86 | N | 53.5 | Low | 57.3 | Low | 80 Ų | 80 | 90.6 Ų | 90.6 | 43% | 0.428 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | -179.7 | -71.4 | -17.4 | 0 | 0 | 0 | 112.2 | S82 Q89 N90 | S82-N86 WeakPolarHBondContact O-CB 3.37Å; S82-N86 VanDerWaalsContact O-CG 3.3Å; S82-N86 PolarHBondContact O-N 2.96Å; S82-N86 PolarHBondContact O-ND2 3.49Å; N86-Q89 PolarHBondContact O-N 2.91Å; N86-N90 PolarHBondContact O-N 3.41Å |
| 87 | S | 53 | Low | 56.2 | Low | 54 Ų | 54 | 94.2 Ų | 94.2 | 38% | 0.378 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 176.2 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | N83 Y84 I85 N90 I91 | N83-S87 WeakPolarHBondContact O-CB 3.35Å; N83-S87 PolarHBondContact O-N 2.96Å; N83-S87 PolarHBondContact O-OG 2.9Å; Y84-S87 WeakPolarHBondContact CA-OG 3.34Å; Y84-S87 PolarHBondContact O-OG 3.47Å; I85-S87 PolarHBondContact O-N 3.32Å; S87-N90 PolarHBondContact O-N 3.04Å; S87-I91 WeakPolarHBondContact O-CD1 3.44Å; S87-I91 VanDerWaalsContact O-CG1 3.24Å; S87-I91 WeakPolarHBondContact O-CG1 3.4Å; S87-I91 PolarHBondContact O-N 3.47Å |
| 88 | R | 50.7 | Low | 55.2 | Low | 146 Ų | 146 | 95.6 Ų | 95.6 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -39.4 | 171.9 | -87.1 | -160.7 | 172 | -156.6 | -1.4 | 112.9 | Y84 I85 I91 N92 | Y84-R88 HydrophobicContact CE1-CG 4.38Å; Y84-R88 PolarHBondContact O-N 3.23Å; Y84-R88 VanDerWaalsContact O-N 3.08Å; Y84-R88 PolarHBondContact OH-NE 3.41Å; Y84-R88 PolarHBondContact OH-NH2 2.94Å; Y84-R88 VanDerWaalsContact OH-NH2 3.13Å; I85-R88 PolarHBondContact O-N 3.36Å; R88-I91 PolarHBondContact O-N 3.16Å; R88-N92 WeakPolarHBondContact O-CB 3.39Å; R88-N92 PolarHBondContact O-N 3.45Å |
| 89 | Q | 54.6 | Low | 53.9 | Low | 117 Ų | 117 | 97 Ų | 97 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 175.7 | -81 | -177.2 | -25.7 | 0 | 0 | 111.2 | I85 N86 I91 N92 T93 | I85-Q89 PolarHBondContact O-N 3.39Å; N86-Q89 PolarHBondContact O-N 2.91Å; Q89-I91 PolarHBondContact O-N 3.28Å; Q89-N92 PolarHBondContact O-N 3.16Å; Q89-T93 PolarHBondContact O-N 3.01Å; Q89-T93 PolarHBondContact O-OG1 2.94Å |
| 90 | N | 50.5 | Low | 52.9 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 61% | 0.61 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -37.1 | 177.2 | -89.9 | 11.4 | 0 | 0 | 0 | 113.6 | N86 S87 T93 S94 | N86-N90 PolarHBondContact O-N 3.41Å; S87-N90 PolarHBondContact O-N 3.04Å; N90-T93 WeakPolarHBondContact CA-OG1 3.38Å; N90-T93 PolarHBondContact O-OG1 2.84Å; N90-S94 VanDerWaalsContact O-CB 3.25Å; N90-S94 WeakPolarHBondContact O-CB 3.45Å; N90-S94 PolarHBondContact O-N 3.4Å; N90-S94 VanDerWaalsContact O-N 3.11Å; N90-S94 PolarHBondContact O-OG 2.8Å |
| 91 | I | 54.6 | Low | 52.2 | Low | 111 Ų | 111 | 98.3 Ų | 98.3 | 57% | 0.569 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.5 | -45.5 | 174.7 | -68 | 164.5 | 0 | 0 | 0 | 109.6 | S87 R88 Q89 S94 S95 | S87-I91 WeakPolarHBondContact O-CD1 3.44Å; S87-I91 VanDerWaalsContact O-CG1 3.24Å; S87-I91 WeakPolarHBondContact O-CG1 3.4Å; S87-I91 PolarHBondContact O-N 3.47Å; R88-I91 PolarHBondContact O-N 3.16Å; Q89-I91 PolarHBondContact O-N 3.28Å; I91-S94 PolarHBondContact O-N 3.23Å; I91-S95 WeakPolarHBondContact O-CB 3.38Å; I91-S95 PolarHBondContact O-N 3.3Å; I91-S95 PolarHBondContact O-OG 2.91Å |
| 92 | N | 47.9 | Very low | 51.8 | Low | 100 Ų | 100 | 96.1 Ų | 96.1 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | -178.7 | -81.1 | -2.9 | 0 | 0 | 0 | 113 | R88 Q89 S95 T96 | R88-N92 WeakPolarHBondContact O-CB 3.39Å; R88-N92 PolarHBondContact O-N 3.45Å; Q89-N92 PolarHBondContact O-N 3.16Å; N92-S95 WeakPolarHBondContact CA-OG 3.34Å; N92-S95 PolarHBondContact O-OG 3.01Å; N92-T96 WeakPolarHBondContact O-CB 3.27Å; N92-T96 PolarHBondContact O-N 3.42Å; N92-T96 PolarHBondContact O-OG1 3.15Å |
| 93 | T | 49.6 | Very low | 51.3 | Low | 73 Ų | 73 | 95.7 Ų | 95.7 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 174.7 | 30.3 | 0 | 0 | 0 | 0 | 111.5 | Q89 N90 T96 L97 | Q89-T93 PolarHBondContact O-N 3.01Å; Q89-T93 PolarHBondContact O-OG1 2.94Å; N90-T93 WeakPolarHBondContact CA-OG1 3.38Å; N90-T93 PolarHBondContact O-OG1 2.84Å; T93-T96 WeakPolarHBondContact CA-OG1 3.47Å; T93-T96 PolarHBondContact O-OG1 3.31Å; T93-L97 VanDerWaalsContact O-CB 3.22Å; T93-L97 WeakPolarHBondContact O-CB 3.22Å; T93-L97 WeakPolarHBondContact O-CD1 3.47Å; T93-L97 WeakPolarHBondContact O-CG 3.41Å; T93-L97 PolarHBondContact O-N 3.19Å |
| 94 | S | 51.3 | Low | 51.3 | Low | 69 Ų | 69 | 94.4 Ų | 94.4 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 178.5 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | N90 I91 N98 | N90-S94 VanDerWaalsContact O-CB 3.25Å; N90-S94 WeakPolarHBondContact O-CB 3.45Å; N90-S94 PolarHBondContact O-N 3.4Å; N90-S94 VanDerWaalsContact O-N 3.11Å; N90-S94 PolarHBondContact O-OG 2.8Å; I91-S94 PolarHBondContact O-N 3.23Å; S94-N98 WeakPolarHBondContact O-CB 3.38Å; S94-N98 PolarHBondContact O-N 3.11Å |
| 95 | S | 50.2 | Low | 51.1 | Low | 53 Ų | 53 | 94.9 Ų | 94.9 | 37% | 0.371 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.1 | -36.3 | 177.4 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | I91 N92 Y99 | I91-S95 WeakPolarHBondContact O-CB 3.38Å; I91-S95 PolarHBondContact O-N 3.3Å; I91-S95 PolarHBondContact O-OG 2.91Å; N92-S95 WeakPolarHBondContact CA-OG 3.34Å; N92-S95 PolarHBondContact O-OG 3.01Å; S95-Y99 WeakPolarHBondContact O-CB 3.49Å; S95-Y99 PolarHBondContact O-N 2.93Å |
| 96 | T | 50.4 | Low | 50.7 | Low | 75 Ų | 75 | 94.5 Ų | 94.5 | 46% | 0.46 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.2 | -40.5 | 173.4 | 40.7 | 0 | 0 | 0 | 0 | 112 | N92 T93 N98 Y99 I100 | N92-T96 WeakPolarHBondContact O-CB 3.27Å; N92-T96 PolarHBondContact O-N 3.42Å; N92-T96 PolarHBondContact O-OG1 3.15Å; T93-T96 WeakPolarHBondContact CA-OG1 3.47Å; T93-T96 PolarHBondContact O-OG1 3.31Å; T96-N98 VanDerWaalsContact C-N 3.35Å; T96-N98 PolarHBondContact O-N 3.03Å; T96-Y99 PolarHBondContact O-N 2.98Å; T96-I100 WeakPolarHBondContact O-CB 3.44Å; T96-I100 WeakPolarHBondContact O-CD1 3.44Å; T96-I100 WeakPolarHBondContact O-CG1 3.44Å; T96-I100 PolarHBondContact O-N 3.29Å |
| 97 | L | 52.8 | Low | 50.2 | Low | 116 Ų | 116 | 98.7 Ų | 98.7 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | 171.6 | -87.2 | 156.5 | 0 | 0 | 0 | 111.6 | T93 I100 N101 | T93-L97 VanDerWaalsContact O-CB 3.22Å; T93-L97 WeakPolarHBondContact O-CB 3.22Å; T93-L97 WeakPolarHBondContact O-CD1 3.47Å; T93-L97 WeakPolarHBondContact O-CG 3.41Å; T93-L97 PolarHBondContact O-N 3.19Å; L97-I100 PolarHBondContact O-N 3.41Å; L97-N101 WeakPolarHBondContact O-CB 3.45Å; L97-N101 PolarHBondContact O-N 2.97Å |
| 98 | N | 50.6 | Low | 49.9 | Very low | 117 Ų | 117 | 100.3 Ų | 100.3 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.4 | -35.2 | 175.5 | -90.8 | -8.9 | 0 | 0 | 0 | 113.3 | S94 T96 S102 | S94-N98 WeakPolarHBondContact O-CB 3.38Å; S94-N98 PolarHBondContact O-N 3.11Å; T96-N98 VanDerWaalsContact C-N 3.35Å; T96-N98 PolarHBondContact O-N 3.03Å; N98-S102 WeakPolarHBondContact O-CB 3.37Å; N98-S102 PolarHBondContact O-N 3.04Å; N98-S102 PolarHBondContact O-OG 3.2Å |
| 99 | Y | 43.6 | Very low | 49.8 | Very low | 182 Ų | 182 | 98.9 Ų | 98.9 | 71% | 0.714 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67 | -40.7 | 173.4 | -116.6 | -88.5 | 0 | 0 | 0 | 111.7 | S95 T96 S102 S103 | S95-Y99 WeakPolarHBondContact O-CB 3.49Å; S95-Y99 PolarHBondContact O-N 2.93Å; T96-Y99 PolarHBondContact O-N 2.98Å; Y99-S102 PolarHBondContact O-OG 3.31Å; Y99-S103 WeakPolarHBondContact O-CB 3.36Å; Y99-S103 PolarHBondContact O-N 2.99Å; Y99-S103 PolarHBondContact O-OG 2.99Å |
| 100 | I | 50.6 | Low | 49.5 | Very low | 99 Ų | 99 | 99.4 Ų | 99.4 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.8 | -45.3 | 176.5 | -67.5 | 164 | 0 | 0 | 0 | 109.4 | T96 L97 S102 S103 T104 | T96-I100 WeakPolarHBondContact O-CB 3.44Å; T96-I100 WeakPolarHBondContact O-CD1 3.44Å; T96-I100 WeakPolarHBondContact O-CG1 3.44Å; T96-I100 PolarHBondContact O-N 3.29Å; L97-I100 PolarHBondContact O-N 3.41Å; I100-S102 PolarHBondContact O-N 2.99Å; I100-S103 PolarHBondContact O-N 2.86Å; I100-S103 PolarHBondContact O-OG 3.18Å; I100-T104 WeakPolarHBondContact O-CB 3.46Å; I100-T104 PolarHBondContact O-N 2.74Å; I100-T104 PolarHBondContact O-OG1 3.37Å |
| 101 | N | 46.2 | Very low | 49.5 | Very low | 101 Ų | 101 | 96.9 Ų | 96.9 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 179.8 | -120.8 | 1.9 | 0 | 0 | 0 | 112.9 | L97 H105 | L97-N101 WeakPolarHBondContact O-CB 3.45Å; L97-N101 PolarHBondContact O-N 2.97Å; N101-H105 WeakPolarHBondContact O-CB 3.47Å; N101-H105 PolarHBondContact O-N 3.34Å; N101-H105 VanDerWaalsContact O-N 3.15Å |
| 102 | S | 52.2 | Low | 49.3 | Very low | 73 Ų | 73 | 96.4 Ų | 96.4 | 51% | 0.51 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.4 | -37.8 | 179.1 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | N98 Y99 I100 S106 | N98-S102 WeakPolarHBondContact O-CB 3.37Å; N98-S102 PolarHBondContact O-N 3.04Å; N98-S102 PolarHBondContact O-OG 3.2Å; Y99-S102 PolarHBondContact O-OG 3.31Å; I100-S102 PolarHBondContact O-N 2.99Å; S102-S106 WeakPolarHBondContact O-CB 3.49Å; S102-S106 PolarHBondContact O-N 3.27Å |
| 103 | S | 51 | Low | 49.6 | Very low | 44 Ų | 44 | 98.4 Ų | 98.4 | 31% | 0.308 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.4 | -41.2 | 175.3 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | Y99 I100 H105 S106 Y107 | Y99-S103 WeakPolarHBondContact O-CB 3.36Å; Y99-S103 PolarHBondContact O-N 2.99Å; Y99-S103 PolarHBondContact O-OG 2.99Å; I100-S103 PolarHBondContact O-N 2.86Å; I100-S103 PolarHBondContact O-OG 3.18Å; S103-H105 PolarHBondContact O-N 2.95Å; S103-S106 PolarHBondContact O-N 2.87Å; S103-S106 VanDerWaalsContact O-N 3.14Å; S103-Y107 WeakPolarHBondContact O-CD2 3.48Å; S103-Y107 PolarHBondContact O-N 3.35Å |
| 104 | T | 55.4 | Low | 49.5 | Very low | 66 Ų | 66 | 103.3 Ų | 103.3 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | -179.9 | -41.9 | 0 | 0 | 0 | 0 | 111.8 | I100 I108 | I100-T104 WeakPolarHBondContact O-CB 3.46Å; I100-T104 PolarHBondContact O-N 2.74Å; I100-T104 PolarHBondContact O-OG1 3.37Å; T104-I108 HydrophobicContact CG2-CD1 3.99Å; T104-I108 WeakPolarHBondContact O-CB 3.44Å; T104-I108 WeakPolarHBondContact O-CD1 3.41Å; T104-I108 VanDerWaalsContact O-CG1 3.24Å; T104-I108 WeakPolarHBondContact O-CG1 3.38Å; T104-I108 PolarHBondContact O-N 3.01Å; T104-I108 VanDerWaalsContact O-N 3.1Å |
| 105 | H | 47 | Very low | 49.2 | Very low | 129 Ų | 129 | 107 Ų | 107 | 60% | 0.597 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68 | -32.8 | 171.3 | -96.6 | -64.5 | 0 | 0 | 0 | 113.1 | N101 S103 N109 | N101-H105 WeakPolarHBondContact O-CB 3.47Å; N101-H105 PolarHBondContact O-N 3.34Å; N101-H105 VanDerWaalsContact O-N 3.15Å; S103-H105 PolarHBondContact O-N 2.95Å; H105-N109 WeakPolarHBondContact O-CB 3.46Å; H105-N109 PolarHBondContact O-N 3.32Å |
| 106 | S | 49.4 | Very low | 48.9 | Very low | 65 Ų | 65 | 117 Ų | 117 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.4 | -38.7 | 177 | -167.1 | 0 | 0 | 0 | 0 | 112.2 | S102 S103 Q110 | S102-S106 WeakPolarHBondContact O-CB 3.49Å; S102-S106 PolarHBondContact O-N 3.27Å; S103-S106 PolarHBondContact O-N 2.87Å; S103-S106 VanDerWaalsContact O-N 3.14Å; S106-Q110 WeakPolarHBondContact O-CB 3.4Å; S106-Q110 PolarHBondContact O-N 3.21Å; S106-Q110 VanDerWaalsContact O-N 3.07Å |
| 107 | Y | 42.6 | Very low | 48.8 | Very low | 168 Ų | 168 | 119.1 Ų | 119.1 | 66% | 0.659 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.6 | -37.6 | 177.4 | -74.9 | -69.1 | 0 | 0 | 0 | 112.2 | S103 Q110 S111 | S103-Y107 WeakPolarHBondContact O-CD2 3.48Å; S103-Y107 PolarHBondContact O-N 3.35Å; Y107-Q110 PolarHBondContact O-N 3.39Å; Y107-S111 PolarHBondContact O-N 3.41Å; Y107-S111 VanDerWaalsContact O-N 3.1Å; Y107-S111 PolarHBondContact O-OG 3.08Å; Y107-S111 VanDerWaalsContact O-OG 3.06Å |
| 108 | I | 47.8 | Very low | 48.6 | Very low | 88 Ų | 88 | 119.3 Ų | 119.3 | 45% | 0.451 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.7 | -35.7 | 177.1 | -66.9 | 168.4 | 0 | 0 | 0 | 111.8 | T104 S111 N112 | T104-I108 HydrophobicContact CG2-CD1 3.99Å; T104-I108 WeakPolarHBondContact O-CB 3.44Å; T104-I108 WeakPolarHBondContact O-CD1 3.41Å; T104-I108 VanDerWaalsContact O-CG1 3.24Å; T104-I108 WeakPolarHBondContact O-CG1 3.38Å; T104-I108 PolarHBondContact O-N 3.01Å; T104-I108 VanDerWaalsContact O-N 3.1Å; I108-S111 PolarHBondContact O-OG 3.2Å; I108-S111 VanDerWaalsContact O-OG 3.1Å; I108-N112 PolarHBondContact O-N 2.83Å |
| 109 | N | 47.3 | Very low | 48.5 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -79.6 | -23.6 | 178.1 | -130.7 | 11.3 | 0 | 0 | 0 | 113.1 | H105 | H105-N109 WeakPolarHBondContact O-CB 3.46Å; H105-N109 PolarHBondContact O-N 3.32Å |
| 110 | Q | 47.7 | Very low | 48.8 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.2 | -35.7 | 169.8 | -98.4 | -178.8 | -36.9 | 0 | 0 | 112.5 | S106 Y107 | S106-Q110 WeakPolarHBondContact O-CB 3.4Å; S106-Q110 PolarHBondContact O-N 3.21Å; S106-Q110 VanDerWaalsContact O-N 3.07Å; Y107-Q110 PolarHBondContact O-N 3.39Å |
| 111 | S | 51.8 | Low | 48.7 | Very low | 60 Ų | 60 | 116.8 Ų | 116.8 | 42% | 0.42 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -76.2 | -27.1 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 114 | Y107 I108 | Y107-S111 PolarHBondContact O-N 3.41Å; Y107-S111 VanDerWaalsContact O-N 3.1Å; Y107-S111 PolarHBondContact O-OG 3.08Å; Y107-S111 VanDerWaalsContact O-OG 3.06Å; I108-S111 PolarHBondContact O-OG 3.2Å; I108-S111 VanDerWaalsContact O-OG 3.1Å |
| 112 | N | 49.5 | Very low | 48.8 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 54% | 0.54 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | -12.8 | 179 | -83.6 | -5.7 | 0 | 0 | 0 | 114.7 | I108 | I108-N112 PolarHBondContact O-N 2.83Š|
| 113 | N | 54.5 | Low | 48.6 | Very low | 142 Ų | 142 | 121 Ų | 121 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 5.1 | 177.2 | -98.5 | 1.7 | 0 | 0 | 0 | 114.1 | ||
| 114 | Q | 47.4 | Very low | 48.4 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 83% | 0.827 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -109.5 | 2.9 | 172.9 | -77.8 | -173.5 | -26.2 | 0 | 0 | 113.3 | ||
| 115 | L | 45.6 | Very low | 47.8 | Very low | 147 Ų | 147 | 132 Ų | 132 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | trans | -119.8 | 19 | -175.4 | -95.4 | 160.2 | 0 | 0 | 0 | 113.9 | ||||
| 116 | F | 43 | Very low | 47.9 | Very low | 262 Ų | 262 | 132.3 Ų | 132.3 | 100% | 1.149 | 66% | 0.659 | S | S | * | * | trans | -126.8 | 0 | 170.5 | -99.4 | -81 | 0 | 0 | 0 | 111.3 |
Retrieved 116 of 116 residues in 231 ms
(Link to these results)