| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.8 | Very low | 34.5 | Very low | 245 Ų | 245 | 131.2 Ų | 131.2 | 100% | 1.207 | 86% | 0.858 | S | S | * | * | 0 | 106.1 | 0 | -72.3 | 161.7 | 80.8 | 0 | 0 | 107.2 | |||||
| 2 | S | 33.8 | Very low | 34.8 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | trans | -86.8 | 131.7 | -162.7 | -48.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | K | 36.1 | Very low | 35 | Very low | 208 Ų | 208 | 135.3 Ų | 135.3 | 90% | 0.904 | 86% | 0.855 | S | S | * | * | trans | -64.3 | 157.2 | 167.1 | -73.5 | -180 | 174.1 | 179.2 | 0 | 110.9 | ||||
| 4 | P | 41.3 | Very low | 35.8 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 85% | 0.851 | 85% | 0.849 | S | S | * | * | trans | -122 | 159.3 | 138.6 | 33.3 | -21.3 | 0 | 0 | 0 | 113 | ||||
| 5 | A | 35.2 | Very low | 36.2 | Very low | 107 Ų | 107 | 138 Ų | 138 | 88% | 0.884 | 85% | 0.848 | S | S | * | * | trans | -92.3 | 172.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 6 | G | 30.6 | Very low | 36.3 | Very low | 74 Ų | 74 | 138.6 Ų | 138.6 | 76% | 0.763 | 84% | 0.844 | S | S | * | * | trans | -85.3 | -161.1 | -166 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 7 | S | 31 | Very low | 36.9 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 85% | 0.848 | S | S | * | * | trans | 89.3 | 130.3 | 172.6 | -153.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 8 | T | 34.2 | Very low | 37.3 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 84% | 0.844 | S | S | * | * | cis | -175.1 | 158.7 | 5.4 | 14.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 9 | S | 32.5 | Very low | 37.5 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 90% | 0.902 | 85% | 0.845 | S | S | * | * | trans | 97.9 | 130.5 | 145.6 | -158.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 10 | G | 31.4 | Very low | 38 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | trans | 109.6 | 78.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 11 | C | 33.3 | Very low | 38.7 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | 66.8 | 104.3 | 86.8 | -147.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 12 | L | 38.7 | Very low | 39.4 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | trans | 40.4 | 111.3 | 147.8 | -79.1 | 128.1 | 0 | 0 | 0 | 120.3 | ||||
| 13 | D | 36.5 | Very low | 40.8 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | trans | -144.2 | 70.6 | 142.8 | -91.2 | -33.2 | 0 | 0 | 0 | 110.3 | ||||
| 14 | I | 46.9 | Very low | 42.9 | Very low | 151 Ų | 151 | 137 Ų | 137 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | trans | -98.3 | 108.4 | 153.3 | -64.5 | 174.5 | 0 | 0 | 0 | 104.3 | ||||
| 15 | L | 42 | Very low | 45.3 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | 167.6 | 93.8 | 149.8 | -89.5 | -176.4 | 0 | 0 | 0 | 109.5 | ||||
| 16 | N | 37.2 | Very low | 48.2 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -165.1 | 64.9 | 135.6 | -150.1 | 12.8 | 0 | 0 | 0 | 114.1 | ||||
| 17 | V | 47.4 | Very low | 51.4 | Low | 149 Ų | 149 | 128.8 Ų | 128.8 | 90% | 0.903 | 73% | 0.731 | S | S | * | * | trans | -104.2 | 86.6 | 156.4 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 18 | K | 42.4 | Very low | 54.6 | Low | 178 Ų | 178 | 130 Ų | 130 | 77% | 0.774 | 72% | 0.723 | S | S | * | * | trans | -129.8 | 101.1 | 167.6 | -81.6 | -173.1 | 178.3 | 176.6 | 0 | 111.1 | ||||
| 19 | S | 42.1 | Very low | 57.6 | Low | 123 Ų | 123 | 123.9 Ų | 123.9 | 86% | 0.86 | 69% | 0.685 | S | S | * | * | trans | 58.2 | 72.2 | 141.2 | -148.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 20 | S | 47.5 | Very low | 60.7 | Low | 110 Ų | 110 | 118 Ų | 118 | 77% | 0.769 | 64% | 0.644 | S | S | * | * | trans | -87.2 | 113.4 | 160.5 | -43.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 21 | R | 52 | Low | 63.8 | Low | 244 Ų | 244 | 117.3 Ų | 117.3 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 173.5 | 26.5 | 144.9 | -96.4 | -179.8 | -100.8 | -166.2 | -4.1 | 118.1 | ||
| 22 | I | 55.9 | Low | 66.8 | Low | 140 Ų | 140 | 112.9 Ų | 112.9 | 72% | 0.718 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -137.8 | 48.7 | 171.3 | -44.6 | 176.5 | 0 | 0 | 0 | 112.6 | I25 | I22-I25 HydrophobicContact CG2-CD1 4.11Š|
| 23 | L | 62.1 | Low | 69.5 | Low | 152 Ų | 152 | 114.1 Ų | 114.1 | 80% | 0.796 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -121 | 1.3 | -178.2 | -74.1 | 173.7 | 0 | 0 | 0 | 116.4 | ||
| 24 | D | 79.8 | Confident | 72.2 | Confident | 140 Ų | 140 | 106.7 Ų | 106.7 | 75% | 0.749 | 56% | 0.562 | S | S | * | * | trans | -139 | 52.9 | -178.2 | -147.4 | 21 | 0 | 0 | 0 | 114.8 | ||||
| 25 | I | 93 | Very high | 74.4 | Confident | 57 Ų | 57 | 102.4 Ų | 102.4 | 29% | 0.292 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -89 | 125.5 | 172.5 | -58.8 | 173.2 | 0 | 0 | 0 | 108.3 | I22 S34 Y42 | I22-I25 HydrophobicContact CG2-CD1 4.11Å; I25-S34 WeakPolarHBondContact O-CA 3.45Å; I25-S34 WeakPolarHBondContact O-CB 3.36Å; I25-S34 PolarHBondContact O-N 3.08Å; I25-Y42 HydrophobicContact CB-CD1 4.44Å; I25-Y42 HydrophobicContact CD1-CD1 4.1Å; I25-Y42 HydrophobicContact CD1-CE1 3.64Å; I25-Y42 HydrophobicContact CD1-CE2 4.47Å; I25-Y42 HydrophobicContact CG2-CD1 3.89Å; I25-Y42 HydrophobicContact CG2-CD2 4.08Å; I25-Y42 HydrophobicContact CG2-CE1 4.45Å; I25-Y42 HydrophobicContact CG2-CG 3.67Å |
| 26 | P | 95.9 | Very high | 76.8 | Confident | 80 Ų | 80 | 96 Ų | 96 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -76.1 | 146.9 | 178.8 | 29.1 | -33.9 | 0 | 0 | 0 | 112.3 | K28 | P26-K28 PolarHBondContact O-N 2.81Å |
| 27 | C | 97.6 | Very high | 79.6 | Confident | 2 Ų | 2 | 95.8 Ų | 95.8 | 1% | 0.014 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 119.7 | 172.5 | 171.7 | 0 | 0 | 0 | 0 | 110 | V29 C30 G31 D32 C44 | C27-V29 PolarHBondContact O-N 2.93Å; C27-C30 PolarHBondContact O-N 3.06Å; C27-C30 VanDerWaalsContact SG-SG 3.65Å; C27-G31 WeakPolarHBondContact O-CA 3.44Å; C27-G31 PolarHBondContact O-N 2.79Å; C27-D32 WeakPolarHBondContact CA-O 3.33Å; C27-D32 WeakPolarHBondContact CB-O 3.34Å; C27-D32 PolarHBondContact N-O 2.67Å; C27-C44 HydrophobicContact CB-CB 4.02Å; C27-C44 PolarHBondContact SG-N 3.1Å; C27-C44 VanDerWaalsContact SG-SG 3.68Å |
| 28 | K | 97.5 | Very high | 81.9 | Confident | 136 Ų | 136 | 90.9 Ų | 90.9 | 59% | 0.591 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18 | -178.7 | -68.7 | -150.9 | 175.7 | -172.1 | 0 | 114.3 | P26 V41 Y42 V92 | P26-K28 PolarHBondContact O-N 2.81Å; K28-V41 HydrophobicContact CB-CG1 3.76Å; K28-V41 HydrophobicContact CD-CG1 3.88Å; K28-V41 HydrophobicContact CG-CG1 3.9Å; K28-Y42 PolarHBondContact N-O 3.2Å; K28-V92 HydrophobicContact CB-CB 4.24Å; K28-V92 HydrophobicContact CB-CG1 4.18Å; K28-V92 HydrophobicContact CB-CG2 4.48Å |
| 29 | V | 98 | Very high | 84.5 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -47.2 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | C27 C47 V73 R85 K88 V92 M94 | C27-V29 PolarHBondContact O-N 2.93Å; V29-C47 HydrophobicContact CB-CB 4.03Å; V29-C47 HydrophobicContact CG1-CB 4.23Å; V29-C47 HydrophobicContact CG2-CB 4.22Å; V29-V73 HydrophobicContact CG1-CG1 3.99Å; V29-V73 WeakPolarHBondContact O-CG1 3.23Å; V29-R85 HydrophobicContact CG1-CG 4.49Å; V29-K88 HydrophobicContact CG1-CG 4.49Å; V29-K88 VanDerWaalsContact O-CD 3.24Å; V29-K88 WeakPolarHBondContact O-CD 3.22Å; V29-K88 WeakPolarHBondContact O-CE 3.2Å; V29-K88 PolarHBondContact O-NZ 2.73Å; V29-V92 HydrophobicContact CG2-CG2 3.78Å; V29-M94 HydrophobicContact CG2-CE 3.68Å; V29-M94 HydrophobicContact CG2-SD 4.29Å |
| 30 | C | 97.1 | Very high | 87 | Confident | 5 Ų | 5 | 81.9 Ų | 81.9 | 3% | 0.034 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 2.8 | -168.9 | 69.6 | 0 | 0 | 0 | 0 | 115.1 | C27 D32 V73 D74 K75 R78 | C27-C30 PolarHBondContact O-N 3.06Å; C27-C30 VanDerWaalsContact SG-SG 3.65Å; C30-D32 PolarHBondContact O-N 3.48Å; C30-D32 VanDerWaalsContact O-N 3.12Å; C30-D32 VanDerWaalsContact SG-CB 3.59Å; C30-V73 HydrophobicContact CB-CG1 4.3Å; C30-D74 CarbonylContact O-C 3.26Å; C30-D74 VanDerWaalsContact O-C 3.26Å; C30-D74 WeakPolarHBondContact O-CA 3.39Å; C30-K75 PolarHBondContact O-N 3.34Å; C30-R78 HydrophobicContact CB-CB 4.21Å; C30-R78 PolarHBondContact SG-NH1 3.46Å |
| 31 | G | 96.1 | Very high | 89.3 | Confident | 54 Ų | 54 | 77.2 Ų | 77.2 | 56% | 0.557 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 75.4 | -11 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | C27 | C27-G31 WeakPolarHBondContact O-CA 3.44Å; C27-G31 PolarHBondContact O-N 2.79Å |
| 32 | D | 96 | Very high | 91.5 | Very high | 27 Ų | 27 | 69.3 Ų | 69.3 | 14% | 0.144 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -62.9 | 164.4 | 174.8 | -162.7 | 12.2 | 0 | 0 | 0 | 112.4 | C27 C30 S34 C44 K75 R78 | C27-D32 WeakPolarHBondContact CA-O 3.33Å; C27-D32 WeakPolarHBondContact CB-O 3.34Å; C27-D32 PolarHBondContact N-O 2.67Å; C30-D32 PolarHBondContact O-N 3.48Å; C30-D32 VanDerWaalsContact O-N 3.12Å; C30-D32 VanDerWaalsContact SG-CB 3.59Å; D32-S34 PolarHBondContact O-N 3.33Å; D32-C44 HydrophobicContact CB-CB 4.29Å; D32-K75 HydrophobicContact CB-CB 4.26Å; D32-K75 HydrophobicContact CB-CD 4.22Å; D32-K75 HydrophobicContact CB-CG 4.09Å; D32-K75 WeakPolarHBondContact OD1-CD 3.48Å; D32-K75 WeakPolarHBondContact OD1-CE 3.33Å; D32-K75 IonicContact OD1-NZ 3.38Å; D32-K75 PolarHBondContact OD1-NZ 3.24Å; D32-R78 IonicContact OD2-CZ 3.72Å; D32-R78 IonicContact OD2-NH1 2.64Å; D32-R78 PolarHBondContact OD2-NH1 3.4Å; D32-R78 IonicContact OD2-NH2 3.08Å |
| 33 | R | 95.4 | Very high | 93.4 | Very high | 168 Ų | 168 | 62.6 Ų | 62.6 | 63% | 0.634 | 34% | 0.344 | S | S | * | . | B | Isolated β-bridge | trans | -60.4 | 127.3 | -178.7 | -167.5 | 174.8 | 71.9 | 155.1 | 0.7 | 111.3 | C44 | R33-C44 VanDerWaalsContact O-CB 3.24Å; R33-C44 WeakPolarHBondContact O-CB 3.41Å |
| 34 | S | 95.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 140.4 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | I25 D32 G36 A43 | I25-S34 WeakPolarHBondContact O-CA 3.45Å; I25-S34 WeakPolarHBondContact O-CB 3.36Å; I25-S34 PolarHBondContact O-N 3.08Å; D32-S34 PolarHBondContact O-N 3.33Å; S34-G36 PolarHBondContact OG-N 2.78Å; S34-G36 PolarHBondContact OG-O 3.08Å; S34-A43 PolarHBondContact OG-N 2.85Å; S34-A43 VanDerWaalsContact OG-N 3.11Å; S34-A43 PolarHBondContact OG-O 3.34Å |
| 35 | S | 92.9 | Very high | 95.9 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 43% | 0.427 | 30% | 0.299 | S | S | . | . | trans | -93.2 | -1.5 | 170.2 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | H38 A43 D45 | S35-H38 PolarHBondContact OG-NE2 3Å; S35-A43 PolarHBondContact N-O 2.91Å; S35-A43 PolarHBondContact OG-O 2.6Å; S35-D45 VanDerWaalsContact CB-OD1 3.3Å; S35-D45 WeakPolarHBondContact CB-OD1 3.42Å; S35-D45 PolarHBondContact OG-OD1 2.9Å | ||
| 36 | G | 92.6 | Very high | 96.1 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 26% | 0.258 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 140.7 | -167 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S34 H38 Y42 A43 | S34-G36 PolarHBondContact OG-N 2.78Å; S34-G36 PolarHBondContact OG-O 3.08Å; G36-H38 PolarHBondContact O-CD2 2.93Å; G36-Y42 WeakPolarHBondContact O-CA 3.22Å; G36-A43 PolarHBondContact O-N 3.5Å; G36-A43 VanDerWaalsContact O-N 3.14Å |
| 37 | K | 94.9 | Very high | 96.2 | Very high | 142 Ų | 142 | 48.9 Ų | 48.9 | 62% | 0.617 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 122.1 | 172.5 | -72.1 | -173.3 | -179.1 | 178.6 | 0 | 109.9 | V41 Y42 | K37-V41 CarbonylContact C-O 3.33Å; K37-V41 WeakPolarHBondContact CA-O 3.31Å; K37-Y42 HydrophobicContact CD-CE2 4.45Å; K37-Y42 VanDerWaalsContact CE-CZ 3.48Å; K37-Y42 WeakPolarHBondContact CE-OH 3.41Å; K37-Y42 HydrophobicContact CG-CD1 3.92Å; K37-Y42 HydrophobicContact CG-CD2 4.31Å; K37-Y42 HydrophobicContact CG-CE1 3.69Å; K37-Y42 HydrophobicContact CG-CE2 4.09Å; K37-Y42 HydrophobicContact CG-CG 4.23Å |
| 38 | H | 96 | Very high | 96.2 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 21% | 0.213 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.8 | 174.2 | -63.8 | -87.4 | 0 | 0 | 0 | 109.3 | S35 G36 G40 V41 A43 D45 S48 | S35-H38 PolarHBondContact OG-NE2 3Å; G36-H38 PolarHBondContact O-CD2 2.93Å; H38-G40 PolarHBondContact O-N 3.31Å; H38-V41 PolarHBondContact N-O 2.96Å; H38-V41 PolarHBondContact O-N 3Å; H38-V41 VanDerWaalsContact O-N 3.11Å; H38-V41 VanDerWaalsContact O-O 3.09Å; H38-A43 HydrophobicContact CB-CB 4.39Å; H38-A43 PolarHBondContact CD2-O 2.89Å; H38-A43 VanDerWaalsContact CD2-O 3.25Å; H38-D45 IonicContact NE2-OD1 3.37Å; H38-S48 WeakPolarHBondContact CB-OG 3.32Å; H38-S48 VanDerWaalsContact CG-OG 3.3Å; H38-S48 PolarHBondContact ND1-OG 3.4Å |
| 39 | Y | 96.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 38.3 | -177.9 | -45.8 | -73.1 | 0 | 0 | 0 | 113 | S48 F51 K52 M94 N95 A98 V99 | Y39-S48 WeakPolarHBondContact CE2-OG 3.2Å; Y39-F51 HydrophobicContact CD1-CD1 4.42Å; Y39-F51 HydrophobicContact CD1-CE1 4.47Å; Y39-F51 AromaticContact CD2-CD1 3.6Å; Y39-F51 HydrophobicContact CD2-CD1 3.6Å; Y39-F51 HydrophobicContact CD2-CE1 4.25Å; Y39-F51 HydrophobicContact CE2-CD1 4.07Å; Y39-F51 AromaticContact CG-CD1 3.81Å; Y39-F51 HydrophobicContact CG-CD1 3.81Å; Y39-F51 AromaticContact CG-CE1 4Å; Y39-F51 HydrophobicContact CG-CE1 4Å; Y39-K52 WeakPolarHBondContact OH-CB 3.26Å; Y39-K52 WeakPolarHBondContact OH-CD 3.48Å; Y39-M94 WeakPolarHBondContact O-CA 3.46Å; Y39-N95 PolarHBondContact O-N 2.95Å; Y39-A98 HydrophobicContact CD1-CB 4.11Å; Y39-V99 HydrophobicContact CD1-CG2 3.72Å; Y39-V99 HydrophobicContact CE1-CB 4.36Å; Y39-V99 HydrophobicContact CE1-CG2 3.64Å; Y39-V99 HydrophobicContact CG-CG2 4.45Å |
| 40 | G | 94.4 | Very high | 96.2 | Very high | 67 Ų | 67 | 43.9 Ų | 43.9 | 69% | 0.691 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | -7.9 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | H38 | H38-G40 PolarHBondContact O-N 3.31Š|
| 41 | V | 96.2 | Very high | 96.2 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.3 | -172.9 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | K28 K37 H38 A43 V92 N93 M94 | K28-V41 HydrophobicContact CB-CG1 3.76Å; K28-V41 HydrophobicContact CD-CG1 3.88Å; K28-V41 HydrophobicContact CG-CG1 3.9Å; K37-V41 CarbonylContact C-O 3.33Å; K37-V41 WeakPolarHBondContact CA-O 3.31Å; H38-V41 PolarHBondContact N-O 2.96Å; H38-V41 PolarHBondContact O-N 3Å; H38-V41 VanDerWaalsContact O-N 3.11Å; H38-V41 VanDerWaalsContact O-O 3.09Å; V41-A43 PolarHBondContact O-N 2.73Å; V41-V92 HydrophobicContact CG1-CB 4.49Å; V41-V92 HydrophobicContact CG1-CG2 4.19Å; V41-V92 WeakPolarHBondContact CG2-O 3.44Å; V41-N93 WeakPolarHBondContact CG2-O 3.47Å; V41-M94 HydrophobicContact CB-CG 4.28Å; V41-M94 HydrophobicContact CG2-CG 4.11Å |
| 42 | Y | 97.1 | Very high | 96.2 | Very high | 78 Ų | 78 | 44.6 Ų | 44.6 | 31% | 0.306 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 116.6 | 170.2 | -71.9 | -77.3 | 0 | 0 | 0 | 110.8 | I25 K28 G36 K37 | I25-Y42 HydrophobicContact CB-CD1 4.44Å; I25-Y42 HydrophobicContact CD1-CD1 4.1Å; I25-Y42 HydrophobicContact CD1-CE1 3.64Å; I25-Y42 HydrophobicContact CD1-CE2 4.47Å; I25-Y42 HydrophobicContact CG2-CD1 3.89Å; I25-Y42 HydrophobicContact CG2-CD2 4.08Å; I25-Y42 HydrophobicContact CG2-CE1 4.45Å; I25-Y42 HydrophobicContact CG2-CG 3.67Å; K28-Y42 PolarHBondContact N-O 3.2Å; G36-Y42 WeakPolarHBondContact O-CA 3.22Å; K37-Y42 HydrophobicContact CD-CE2 4.45Å; K37-Y42 VanDerWaalsContact CE-CZ 3.48Å; K37-Y42 WeakPolarHBondContact CE-OH 3.41Å; K37-Y42 HydrophobicContact CG-CD1 3.92Å; K37-Y42 HydrophobicContact CG-CD2 4.31Å; K37-Y42 HydrophobicContact CG-CE1 3.69Å; K37-Y42 HydrophobicContact CG-CE2 4.09Å; K37-Y42 HydrophobicContact CG-CG 4.23Å |
| 43 | A | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -145.8 | 154.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S34 S35 G36 H38 V41 M94 | S34-A43 PolarHBondContact OG-N 2.85Å; S34-A43 VanDerWaalsContact OG-N 3.11Å; S34-A43 PolarHBondContact OG-O 3.34Å; S35-A43 PolarHBondContact N-O 2.91Å; S35-A43 PolarHBondContact OG-O 2.6Å; G36-A43 PolarHBondContact O-N 3.5Å; G36-A43 VanDerWaalsContact O-N 3.14Å; H38-A43 HydrophobicContact CB-CB 4.39Å; H38-A43 PolarHBondContact CD2-O 2.89Å; H38-A43 VanDerWaalsContact CD2-O 3.25Å; V41-A43 PolarHBondContact O-N 2.73Å; A43-M94 HydrophobicContact CB-CE 3.25Å | ||
| 44 | C | 97.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | trans | -78.2 | 160.7 | 170.9 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | C27 D32 R33 G46 C47 S48 R78 | C27-C44 HydrophobicContact CB-CB 4.02Å; C27-C44 PolarHBondContact SG-N 3.1Å; C27-C44 VanDerWaalsContact SG-SG 3.68Å; D32-C44 HydrophobicContact CB-CB 4.29Å; R33-C44 VanDerWaalsContact O-CB 3.24Å; R33-C44 WeakPolarHBondContact O-CB 3.41Å; C44-G46 PolarHBondContact O-N 2.66Å; C44-G46 VanDerWaalsContact O-N 3.16Å; C44-C47 PolarHBondContact O-N 3.11Å; C44-C47 VanDerWaalsContact O-N 3.1Å; C44-C47 PolarHBondContact SG-N 2.96Å; C44-S48 PolarHBondContact O-N 3.3Å; C44-R78 PolarHBondContact SG-NH1 3.44Å | ||
| 45 | D | 96.4 | Very high | 96.3 | Very high | 110 Ų | 110 | 43.1 Ų | 43.1 | 59% | 0.588 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -57.1 | -34.2 | 178.7 | -64 | -32.1 | 0 | 0 | 0 | 112.7 | S35 H38 G49 | S35-D45 VanDerWaalsContact CB-OD1 3.3Å; S35-D45 WeakPolarHBondContact CB-OD1 3.42Å; S35-D45 PolarHBondContact OG-OD1 2.9Å; H38-D45 IonicContact NE2-OD1 3.37Å; D45-G49 PolarHBondContact O-N 3.02Å |
| 46 | G | 97.2 | Very high | 96.2 | Very high | 27 Ų | 27 | 44 Ų | 44 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C44 F50 R85 | C44-G46 PolarHBondContact O-N 2.66Å; C44-G46 VanDerWaalsContact O-N 3.16Å; G46-F50 VanDerWaalsContact O-CB 3.28Å; G46-F50 WeakPolarHBondContact O-CB 3.21Å; G46-F50 PolarHBondContact O-N 2.92Å; G46-F50 VanDerWaalsContact O-N 3.13Å; G46-R85 PolarHBondContact O-NH2 2.97Å |
| 47 | C | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -79 | -37.6 | 179.3 | -70.4 | 0 | 0 | 0 | 0 | 112 | V29 C44 F50 F51 R85 | V29-C47 HydrophobicContact CB-CB 4.03Å; V29-C47 HydrophobicContact CG1-CB 4.23Å; V29-C47 HydrophobicContact CG2-CB 4.22Å; C44-C47 PolarHBondContact O-N 3.11Å; C44-C47 VanDerWaalsContact O-N 3.1Å; C44-C47 PolarHBondContact SG-N 2.96Å; C47-F50 PolarHBondContact O-N 3.47Å; C47-F51 WeakPolarHBondContact O-CB 3.24Å; C47-F51 PolarHBondContact O-N 2.91Å; C47-R85 PolarHBondContact SG-NH2 3.47Å; C47-R85 VanDerWaalsContact SG-NH2 3.45Å |
| 48 | S | 97.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 8% | 0.077 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 172.4 | 176 | 0 | 0 | 0 | 0 | 111.7 | H38 Y39 C44 F50 F51 K52 | H38-S48 WeakPolarHBondContact CB-OG 3.32Å; H38-S48 VanDerWaalsContact CG-OG 3.3Å; H38-S48 PolarHBondContact ND1-OG 3.4Å; Y39-S48 WeakPolarHBondContact CE2-OG 3.2Å; C44-S48 PolarHBondContact O-N 3.3Å; S48-F50 PolarHBondContact O-N 3.46Å; S48-F51 PolarHBondContact O-N 3.48Å; S48-K52 WeakPolarHBondContact O-CB 3.21Å; S48-K52 PolarHBondContact O-N 3.44Å |
| 49 | G | 96.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D45 R53 | D45-G49 PolarHBondContact O-N 3.02Å; G49-R53 WeakPolarHBondContact O-CG 3.33Å; G49-R53 VanDerWaalsContact O-CZ 3.32Å; G49-R53 PolarHBondContact O-N 3.19Å; G49-R53 VanDerWaalsContact O-N 3.16Å; G49-R53 PolarHBondContact O-NH1 3.41Å |
| 50 | F | 98.1 | Very high | 95.6 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 4% | 0.044 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 175.6 | 171.5 | -96.6 | 0 | 0 | 0 | 112.2 | G46 C47 S48 R53 S54 Y61 R82 R85 L86 | G46-F50 VanDerWaalsContact O-CB 3.28Å; G46-F50 WeakPolarHBondContact O-CB 3.21Å; G46-F50 PolarHBondContact O-N 2.92Å; G46-F50 VanDerWaalsContact O-N 3.13Å; C47-F50 PolarHBondContact O-N 3.47Å; S48-F50 PolarHBondContact O-N 3.46Å; F50-R53 PolarHBondContact O-N 2.99Å; F50-S54 WeakPolarHBondContact O-CB 3.44Å; F50-S54 PolarHBondContact O-N 3.44Å; F50-S54 PolarHBondContact O-OG 3.22Å; F50-Y61 HydrophobicContact CE2-CE2 4.15Å; F50-Y61 HydrophobicContact CZ-CD2 4.46Å; F50-Y61 AromaticContact CZ-CE2 3.86Å; F50-Y61 HydrophobicContact CZ-CE2 3.86Å; F50-R82 HydrophobicContact CE2-CB 4.17Å; F50-R82 HydrophobicContact CE2-CG 4.15Å; F50-R82 HydrophobicContact CZ-CB 4.24Å; F50-R82 WeakPolarHBondContact CZ-O 3.45Å; F50-R85 VanDerWaalsContact CD1-CD 3.44Å; F50-R85 HydrophobicContact CD1-CG 3.85Å; F50-R85 HydrophobicContact CE1-CB 3.89Å; F50-R85 HydrophobicContact CE1-CG 3.67Å; F50-R85 HydrophobicContact CZ-CB 4.07Å; F50-R85 HydrophobicContact CZ-CG 4.23Å; F50-L86 HydrophobicContact CE1-CB 3.84Å; F50-L86 HydrophobicContact CE1-CD1 4.24Å; F50-L86 HydrophobicContact CZ-CB 4Å |
| 51 | F | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.2 | -50.5 | 178 | -174.4 | -106.3 | 0 | 0 | 0 | 110.9 | Y39 C47 S48 R53 S54 I55 L86 C89 L90 M94 K96 V99 | Y39-F51 HydrophobicContact CD1-CD1 4.42Å; Y39-F51 HydrophobicContact CD1-CE1 4.47Å; Y39-F51 AromaticContact CD2-CD1 3.6Å; Y39-F51 HydrophobicContact CD2-CD1 3.6Å; Y39-F51 HydrophobicContact CD2-CE1 4.25Å; Y39-F51 HydrophobicContact CE2-CD1 4.07Å; Y39-F51 AromaticContact CG-CD1 3.81Å; Y39-F51 HydrophobicContact CG-CD1 3.81Å; Y39-F51 AromaticContact CG-CE1 4Å; Y39-F51 HydrophobicContact CG-CE1 4Å; C47-F51 WeakPolarHBondContact O-CB 3.24Å; C47-F51 PolarHBondContact O-N 2.91Å; S48-F51 PolarHBondContact O-N 3.48Å; F51-R53 PolarHBondContact O-N 3.1Å; F51-S54 PolarHBondContact O-N 3.23Å; F51-S54 VanDerWaalsContact O-N 3.11Å; F51-I55 HydrophobicContact CD1-CG1 4.26Å; F51-I55 HydrophobicContact CD2-CG1 4.16Å; F51-I55 HydrophobicContact CE1-CG1 3.95Å; F51-I55 HydrophobicContact CE2-CD1 3.99Å; F51-I55 HydrophobicContact CE2-CG1 3.85Å; F51-I55 HydrophobicContact CG-CG1 4.37Å; F51-I55 HydrophobicContact CZ-CD1 4.12Å; F51-I55 HydrophobicContact CZ-CG1 3.73Å; F51-I55 WeakPolarHBondContact O-CG1 3.34Å; F51-I55 PolarHBondContact O-N 3.41Å; F51-L86 HydrophobicContact CD2-CD1 4.12Å; F51-C89 HydrophobicContact CD2-CB 3.46Å; F51-C89 VanDerWaalsContact CD2-CB 3.46Å; F51-C89 HydrophobicContact CE2-CB 3.98Å; F51-C89 HydrophobicContact CG-CB 4.37Å; F51-L90 HydrophobicContact CE2-CD2 3.84Å; F51-L90 HydrophobicContact CE2-CG 4.43Å; F51-L90 HydrophobicContact CZ-CD2 4.27Å; F51-M94 HydrophobicContact CB-SD 3.83Å; F51-M94 HydrophobicContact CD1-CB 4.04Å; F51-M94 HydrophobicContact CD1-SD 4.15Å; F51-M94 HydrophobicContact CD2-CB 4.03Å; F51-M94 HydrophobicContact CD2-SD 3.98Å; F51-M94 HydrophobicContact CE1-CB 3.71Å; F51-M94 HydrophobicContact CE2-CB 3.68Å; F51-M94 HydrophobicContact CG-CB 4.18Å; F51-M94 HydrophobicContact CG-SD 3.72Å; F51-M94 HydrophobicContact CZ-CB 3.5Å; F51-M94 VanDerWaalsContact CZ-O 3.24Å; F51-M94 WeakPolarHBondContact CZ-O 3.48Å; F51-K96 HydrophobicContact CZ-CB 4.19Å; F51-V99 HydrophobicContact CD1-CG2 3.92Å; F51-V99 HydrophobicContact CE1-CG2 3.66Å |
| 52 | K | 95.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 63.9 Ų | 63.9 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -50.7 | -51.8 | 175.9 | -171.4 | 174.6 | 63.9 | -176.1 | 0 | 112.8 | Y39 S48 S54 R56 V99 | Y39-K52 WeakPolarHBondContact OH-CB 3.26Å; Y39-K52 WeakPolarHBondContact OH-CD 3.48Å; S48-K52 WeakPolarHBondContact O-CB 3.21Å; S48-K52 PolarHBondContact O-N 3.44Å; K52-S54 VanDerWaalsContact C-N 3.3Å; K52-S54 PolarHBondContact O-N 3.4Å; K52-R56 VanDerWaalsContact O-CB 3.29Å; K52-R56 WeakPolarHBondContact O-CB 3.38Å; K52-R56 VanDerWaalsContact O-CG 3.29Å; K52-R56 WeakPolarHBondContact O-CG 3.47Å; K52-R56 PolarHBondContact O-N 3.17Å; K52-V99 HydrophobicContact CG-CG1 4.21Å |
| 53 | R | 95.9 | Very high | 95.3 | Very high | 131 Ų | 131 | 60.9 Ų | 60.9 | 49% | 0.494 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.6 | -33.4 | -177.5 | -72.6 | -173.1 | -60.7 | -91.3 | 0.9 | 112.5 | G49 F50 F51 R57 | G49-R53 WeakPolarHBondContact O-CG 3.33Å; G49-R53 VanDerWaalsContact O-CZ 3.32Å; G49-R53 PolarHBondContact O-N 3.19Å; G49-R53 VanDerWaalsContact O-N 3.16Å; G49-R53 PolarHBondContact O-NH1 3.41Å; F50-R53 PolarHBondContact O-N 2.99Å; F51-R53 PolarHBondContact O-N 3.1Å; R53-R57 PolarHBondContact O-N 3.47Å |
| 54 | S | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.7 | -45.7 | -178 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | F50 F51 K52 N58 R59 Y61 | F50-S54 WeakPolarHBondContact O-CB 3.44Å; F50-S54 PolarHBondContact O-N 3.44Å; F50-S54 PolarHBondContact O-OG 3.22Å; F51-S54 PolarHBondContact O-N 3.23Å; F51-S54 VanDerWaalsContact O-N 3.11Å; K52-S54 VanDerWaalsContact C-N 3.3Å; K52-S54 PolarHBondContact O-N 3.4Å; S54-N58 PolarHBondContact O-N 3.26Å; S54-R59 PolarHBondContact O-N 3.41Å; S54-Y61 WeakPolarHBondContact OG-CE2 3.31Å; S54-Y61 PolarHBondContact OG-OH 3.15Å |
| 55 | I | 96 | Very high | 94 | Very high | 49 Ų | 49 | 74.4 Ų | 74.4 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.3 | -47 | 177.1 | -59.3 | -54.9 | 0 | 0 | 0 | 111.3 | F51 R57 N58 L86 K96 V99 | F51-I55 HydrophobicContact CD1-CG1 4.26Å; F51-I55 HydrophobicContact CD2-CG1 4.16Å; F51-I55 HydrophobicContact CE1-CG1 3.95Å; F51-I55 HydrophobicContact CE2-CD1 3.99Å; F51-I55 HydrophobicContact CE2-CG1 3.85Å; F51-I55 HydrophobicContact CG-CG1 4.37Å; F51-I55 HydrophobicContact CZ-CD1 4.12Å; F51-I55 HydrophobicContact CZ-CG1 3.73Å; F51-I55 WeakPolarHBondContact O-CG1 3.34Å; F51-I55 PolarHBondContact O-N 3.41Å; I55-R57 VanDerWaalsContact C-N 3.28Å; I55-R57 PolarHBondContact O-N 3.33Å; I55-N58 PolarHBondContact O-N 3.47Å; I55-L86 HydrophobicContact CD1-CD1 4.48Å; I55-K96 HydrophobicContact CD1-CB 4.11Å; I55-K96 HydrophobicContact CG1-CB 4.32Å; I55-K96 HydrophobicContact CG2-CB 4.18Å; I55-V99 HydrophobicContact CB-CB 4.31Å; I55-V99 HydrophobicContact CB-CG1 4.26Å; I55-V99 HydrophobicContact CB-CG2 4.07Å; I55-V99 HydrophobicContact CG1-CG2 4.28Å; I55-V99 HydrophobicContact CG2-CB 3.92Å; I55-V99 HydrophobicContact CG2-CG1 4.19Å; I55-V99 HydrophobicContact CG2-CG2 4.05Å |
| 56 | R | 89.8 | Confident | 93 | Very high | 81 Ų | 81 | 71 Ų | 71 | 31% | 0.306 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.2 | -36.2 | -179 | -80.5 | -173.4 | 174.3 | 171.9 | -0.4 | 114.7 | K52 N58 V99 Q100 E102 | K52-R56 VanDerWaalsContact O-CB 3.29Å; K52-R56 WeakPolarHBondContact O-CB 3.38Å; K52-R56 VanDerWaalsContact O-CG 3.29Å; K52-R56 WeakPolarHBondContact O-CG 3.47Å; K52-R56 PolarHBondContact O-N 3.17Å; R56-N58 VanDerWaalsContact C-N 3.33Å; R56-V99 HydrophobicContact CG-CG1 3.7Å; R56-Q100 PolarHBondContact NE-O 3.2Å; R56-Q100 VanDerWaalsContact NE-O 3.09Å; R56-Q100 PolarHBondContact NH2-O 3.46Å; R56-E102 WeakPolarHBondContact CD-OE1 3.49Å; R56-E102 IonicContact CZ-OE1 3.58Å; R56-E102 IonicContact NE-OE1 3.25Å; R56-E102 IonicContact NH1-OE1 3.57Å; R56-E102 PolarHBondContact NH1-OE1 3.37Å |
| 57 | R | 90.8 | Very high | 91.5 | Very high | 167 Ų | 167 | 76.1 Ų | 76.1 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 13.7 | -178.1 | -66.7 | 178 | 177.5 | 179.7 | -5.2 | 112.1 | R53 I55 R59 | R53-R57 PolarHBondContact O-N 3.47Å; I55-R57 VanDerWaalsContact C-N 3.28Å; I55-R57 PolarHBondContact O-N 3.33Å; R57-R59 HydrophobicContact CB-CG 3.81Å; R57-R59 PolarHBondContact O-N 2.93Å; R57-R59 VanDerWaalsContact O-N 3.13Å |
| 58 | N | 91.2 | Very high | 90.2 | Very high | 140 Ų | 140 | 84.8 Ų | 84.8 | 75% | 0.749 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.2 | 51 | -174.7 | -162.9 | 29.7 | 0 | 0 | 0 | 112.2 | S54 I55 R56 T60 | S54-N58 PolarHBondContact O-N 3.26Å; I55-N58 PolarHBondContact O-N 3.47Å; R56-N58 VanDerWaalsContact C-N 3.33Å; N58-T60 PolarHBondContact O-N 3.22Å |
| 59 | R | 94.4 | Very high | 89.3 | Confident | 123 Ų | 123 | 85.2 Ų | 85.2 | 46% | 0.464 | 44% | 0.438 | S | S | . | . | trans | -77.9 | 119 | -171.8 | -67.8 | -61.3 | -169.3 | -177.6 | -1.5 | 110.7 | S54 R57 Y61 | S54-R59 PolarHBondContact O-N 3.41Å; R57-R59 HydrophobicContact CB-CG 3.81Å; R57-R59 PolarHBondContact O-N 2.93Å; R57-R59 VanDerWaalsContact O-N 3.13Å; R59-Y61 HydrophobicContact CB-CE1 3.97Å; R59-Y61 HydrophobicContact CB-CE2 3.9Å; R59-Y61 HydrophobicContact CG-CE1 4.38Å | ||
| 60 | T | 93 | Very high | 88.8 | Confident | 130 Ų | 130 | 88.2 Ų | 88.2 | 80% | 0.798 | 47% | 0.469 | S | S | * | . | trans | -91.5 | 121.1 | 162.5 | -49.3 | 0 | 0 | 0 | 0 | 108.7 | N58 | N58-T60 PolarHBondContact O-N 3.22Š| ||
| 61 | Y | 94.8 | Very high | 88.6 | Confident | 62 Ų | 62 | 89 Ų | 89 | 24% | 0.243 | 48% | 0.475 | C | S | . | . | trans | -108.4 | 143.5 | 174.5 | -57.3 | -66 | 0 | 0 | 0 | 109.9 | F50 S54 R59 R82 L86 | F50-Y61 HydrophobicContact CE2-CE2 4.15Å; F50-Y61 HydrophobicContact CZ-CD2 4.46Å; F50-Y61 AromaticContact CZ-CE2 3.86Å; F50-Y61 HydrophobicContact CZ-CE2 3.86Å; S54-Y61 WeakPolarHBondContact OG-CE2 3.31Å; S54-Y61 PolarHBondContact OG-OH 3.15Å; R59-Y61 HydrophobicContact CB-CE1 3.97Å; R59-Y61 HydrophobicContact CB-CE2 3.9Å; R59-Y61 HydrophobicContact CG-CE1 4.38Å; Y61-R82 HydrophobicContact CD1-CB 3.84Å; Y61-R82 HydrophobicContact CD2-CB 3.9Å; Y61-R82 HydrophobicContact CE1-CB 4.12Å; Y61-R82 HydrophobicContact CE2-CB 4.17Å; Y61-R82 HydrophobicContact CG-CB 3.73Å; Y61-L86 HydrophobicContact CD2-CB 4.12Å; Y61-L86 HydrophobicContact CD2-CD2 3.78Å; Y61-L86 HydrophobicContact CE2-CB 4.36Å; Y61-L86 HydrophobicContact CE2-CD2 3.89Å | ||
| 62 | V | 92.4 | Very high | 88.4 | Confident | 132 Ų | 132 | 92.6 Ų | 92.6 | 80% | 0.8 | 50% | 0.499 | S | S | * | . | trans | -103.4 | 134.3 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 63 | C | 94.2 | Very high | 88.4 | Confident | 15 Ų | 15 | 89.8 Ų | 89.8 | 10% | 0.101 | 49% | 0.488 | C | S | . | . | trans | -75.8 | 133.4 | 175.3 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | S65 G66 C81 A83 | C63-S65 PolarHBondContact O-N 3.01Å; C63-S65 PolarHBondContact SG-N 3.03Å; C63-G66 WeakPolarHBondContact CB-O 3.45Å; C63-G66 PolarHBondContact O-N 3.12Å; C63-G66 VanDerWaalsContact O-N 3.12Å; C63-C81 VanDerWaalsContact SG-SG 3.6Å; C63-A83 HydrophobicContact CB-CB 3.92Å | ||
| 64 | K | 82.8 | Confident | 88.4 | Confident | 205 Ų | 205 | 86 Ų | 86 | 89% | 0.891 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.2 | 176.9 | -67.6 | -172.7 | 176.9 | -174 | 0 | 113 | G66 | K64-G66 PolarHBondContact O-N 3Š|
| 65 | S | 83.4 | Confident | 88.3 | Confident | 83 Ų | 83 | 92 Ų | 92 | 58% | 0.58 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 12.4 | 175 | -51.3 | 0 | 0 | 0 | 0 | 113.3 | C63 | C63-S65 PolarHBondContact O-N 3.01Å; C63-S65 PolarHBondContact SG-N 3.03Å |
| 66 | G | 76.7 | Confident | 88.2 | Confident | 39 Ų | 39 | 94.6 Ų | 94.6 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | 78.2 | -163.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | C63 K64 Q68 G69 | C63-G66 WeakPolarHBondContact CB-O 3.45Å; C63-G66 PolarHBondContact O-N 3.12Å; C63-G66 VanDerWaalsContact O-N 3.12Å; K64-G66 PolarHBondContact O-N 3Å; G66-Q68 VanDerWaalsContact C-N 3.26Å; G66-Q68 PolarHBondContact O-N 3.17Å; G66-G69 PolarHBondContact O-N 3.42Å |
| 67 | S | 65.5 | Low | 88.4 | Confident | 133 Ų | 133 | 94.1 Ų | 94.1 | 93% | 0.93 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -69.5 | -16.8 | -174.7 | 48.2 | 0 | 0 | 0 | 0 | 114.5 | G69 | S67-G69 VanDerWaalsContact C-N 3.27Å; S67-G69 PolarHBondContact O-N 3.04Å |
| 68 | Q | 69.7 | Low | 88.6 | Confident | 182 Ų | 182 | 88.1 Ų | 88.1 | 85% | 0.85 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -69.2 | -24.3 | 178.6 | -63.4 | -176.6 | 1.6 | 0 | 0 | 112.7 | G66 | G66-Q68 VanDerWaalsContact C-N 3.26Å; G66-Q68 PolarHBondContact O-N 3.17Å |
| 69 | G | 80 | Confident | 88.8 | Confident | 21 Ų | 21 | 87 Ų | 87 | 22% | 0.216 | 49% | 0.494 | C | S | . | . | trans | 61.3 | -146.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G66 S67 | G66-G69 PolarHBondContact O-N 3.42Å; S67-G69 VanDerWaalsContact C-N 3.27Å; S67-G69 PolarHBondContact O-N 3.04Å | ||
| 70 | G | 85.9 | Confident | 88.8 | Confident | 75 Ų | 75 | 87.2 Ų | 87.2 | 77% | 0.773 | 50% | 0.5 | S | S | * | . | trans | 88.1 | 3.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 71 | C | 93.4 | Very high | 88.9 | Confident | 26 Ų | 26 | 81.8 Ų | 81.8 | 18% | 0.176 | 47% | 0.467 | C | S | . | . | trans | -56.3 | 136 | 175.8 | -49.8 | 0 | 0 | 0 | 0 | 111.5 | V73 C81 C84 | C71-V73 PolarHBondContact O-N 3.47Å; C71-C81 HydrophobicContact CB-CB 3.64Å; C71-C84 HydrophobicContact CB-CB 3.94Å; C71-C84 VanDerWaalsContact SG-SG 3.62Å | ||
| 72 | P | 93.7 | Very high | 89 | Confident | 76 Ų | 76 | 86.4 Ų | 86.4 | 49% | 0.494 | 48% | 0.484 | S | S | . | . | trans | -61.6 | 134.8 | -179.2 | 25 | -33.5 | 0 | 0 | 0 | 111.2 | ||||
| 73 | V | 96.3 | Very high | 89.2 | Confident | 14 Ų | 14 | 81 Ų | 81 | 9% | 0.085 | 45% | 0.453 | C | S | . | . | trans | -122 | 86.6 | 175.5 | -175.6 | 0 | 0 | 0 | 0 | 107.7 | V29 C30 C71 R78 C84 R85 K88 | V29-V73 HydrophobicContact CG1-CG1 3.99Å; V29-V73 WeakPolarHBondContact O-CG1 3.23Å; C30-V73 HydrophobicContact CB-CG1 4.3Å; C71-V73 PolarHBondContact O-N 3.47Å; V73-R78 HydrophobicContact CG1-CB 3.94Å; V73-C84 HydrophobicContact CG2-CB 4.37Å; V73-R85 HydrophobicContact CG1-CB 4.47Å; V73-R85 HydrophobicContact CG1-CG 4.07Å; V73-R85 HydrophobicContact CG2-CB 4.44Å; V73-K88 HydrophobicContact CB-CD 3.7Å; V73-K88 HydrophobicContact CG1-CD 4.06Å; V73-K88 HydrophobicContact CG2-CD 4.15Å; V73-K88 PolarHBondContact O-NZ 3.2Å | ||
| 74 | D | 96 | Very high | 89.3 | Confident | 53 Ų | 53 | 80.9 Ų | 80.9 | 28% | 0.283 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -120.3 | -176.9 | 174.5 | 59.9 | 40.3 | 0 | 0 | 0 | 110.1 | C30 T76 H77 R78 | C30-D74 CarbonylContact O-C 3.26Å; C30-D74 VanDerWaalsContact O-C 3.26Å; C30-D74 WeakPolarHBondContact O-CA 3.39Å; D74-T76 VanDerWaalsContact C-N 3.28Å; D74-T76 PolarHBondContact O-N 2.94Å; D74-T76 PolarHBondContact OD1-N 3.35Å; D74-T76 PolarHBondContact OD1-OG1 2.97Å; D74-H77 VanDerWaalsContact CG-ND1 3.33Å; D74-H77 VanDerWaalsContact OD1-CB 3.28Å; D74-H77 WeakPolarHBondContact OD1-CB 3.29Å; D74-H77 IonicContact OD1-CG 3.91Å; D74-H77 PolarHBondContact OD1-N 3.41Å; D74-H77 IonicContact OD1-ND1 2.93Å; D74-H77 PolarHBondContact OD1-ND1 3.22Å; D74-H77 VanDerWaalsContact OD1-ND1 3.08Å; D74-H77 IonicContact OD2-CE1 3.42Å; D74-H77 IonicContact OD2-CG 2.64Å; D74-H77 IonicContact OD2-ND1 2.67Å; D74-H77 PolarHBondContact OD2-ND1 3.4Å; D74-R78 WeakPolarHBondContact O-CB 3.3Å; D74-R78 WeakPolarHBondContact O-CG 3.45Å; D74-R78 PolarHBondContact O-N 3.02Å |
| 75 | K | 94.1 | Very high | 90.1 | Very high | 127 Ų | 127 | 71.5 Ų | 71.5 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39.3 | -176.6 | -179.7 | 173.8 | 179.8 | 155.6 | 0 | 112.8 | C30 D32 | C30-K75 PolarHBondContact O-N 3.34Å; D32-K75 HydrophobicContact CB-CB 4.26Å; D32-K75 HydrophobicContact CB-CD 4.22Å; D32-K75 HydrophobicContact CB-CG 4.09Å; D32-K75 WeakPolarHBondContact OD1-CD 3.48Å; D32-K75 WeakPolarHBondContact OD1-CE 3.33Å; D32-K75 IonicContact OD1-NZ 3.38Å; D32-K75 PolarHBondContact OD1-NZ 3.24Å |
| 76 | T | 95.2 | Very high | 90.7 | Very high | 102 Ų | 102 | 68.5 Ų | 68.5 | 63% | 0.626 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -37.2 | -173.6 | 47 | 0 | 0 | 0 | 0 | 112.1 | D74 | D74-T76 VanDerWaalsContact C-N 3.28Å; D74-T76 PolarHBondContact O-N 2.94Å; D74-T76 PolarHBondContact OD1-N 3.35Å; D74-T76 PolarHBondContact OD1-OG1 2.97Å |
| 77 | H | 92.9 | Very high | 91.7 | Very high | 71 Ų | 71 | 72.6 Ų | 72.6 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -3.7 | -168.3 | -51.5 | 121.8 | 0 | 0 | 0 | 114.1 | D74 N79 Q80 | D74-H77 VanDerWaalsContact CG-ND1 3.33Å; D74-H77 VanDerWaalsContact OD1-CB 3.28Å; D74-H77 WeakPolarHBondContact OD1-CB 3.29Å; D74-H77 IonicContact OD1-CG 3.91Å; D74-H77 PolarHBondContact OD1-N 3.41Å; D74-H77 IonicContact OD1-ND1 2.93Å; D74-H77 PolarHBondContact OD1-ND1 3.22Å; D74-H77 VanDerWaalsContact OD1-ND1 3.08Å; D74-H77 IonicContact OD2-CE1 3.42Å; D74-H77 IonicContact OD2-CG 2.64Å; D74-H77 IonicContact OD2-ND1 2.67Å; D74-H77 PolarHBondContact OD2-ND1 3.4Å; H77-N79 PolarHBondContact O-N 2.95Å; H77-Q80 HydrophobicContact CB-CG 4.37Å; H77-Q80 PolarHBondContact CD2-NE2 3.19Å; H77-Q80 WeakPolarHBondContact O-CB 3.25Å; H77-Q80 WeakPolarHBondContact O-CG 3.48Å; H77-Q80 PolarHBondContact O-N 2.77Å |
| 78 | R | 95.3 | Very high | 93.2 | Very high | 42 Ų | 42 | 69.6 Ų | 69.6 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -14.9 | 177.4 | 62.7 | -171.6 | -169.1 | -161.7 | -3.3 | 115.7 | C30 D32 C44 V73 D74 R85 | C30-R78 HydrophobicContact CB-CB 4.21Å; C30-R78 PolarHBondContact SG-NH1 3.46Å; D32-R78 IonicContact OD2-CZ 3.72Å; D32-R78 IonicContact OD2-NH1 2.64Å; D32-R78 PolarHBondContact OD2-NH1 3.4Å; D32-R78 IonicContact OD2-NH2 3.08Å; C44-R78 PolarHBondContact SG-NH1 3.44Å; V73-R78 HydrophobicContact CG1-CB 3.94Å; D74-R78 WeakPolarHBondContact O-CB 3.3Å; D74-R78 WeakPolarHBondContact O-CG 3.45Å; D74-R78 PolarHBondContact O-N 3.02Å; R78-R85 VanDerWaalsContact O-CD 3.22Å; R78-R85 WeakPolarHBondContact O-CD 3.31Å; R78-R85 PolarHBondContact O-NH1 3.45Å; R78-R85 VanDerWaalsContact O-NH1 3.15Å |
| 79 | N | 95.3 | Very high | 94.5 | Very high | 117 Ų | 117 | 61 Ų | 61 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -8.2 | 178.3 | -67.8 | -29.6 | 0 | 0 | 0 | 114 | H77 R85 | H77-N79 PolarHBondContact O-N 2.95Å; N79-R85 PolarHBondContact OD1-NH1 3.09Å |
| 80 | Q | 94.1 | Very high | 95.4 | Very high | 127 Ų | 127 | 63.6 Ų | 63.6 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -38.6 | -175.7 | -66.8 | 179 | -3.9 | 0 | 0 | 112.8 | H77 | H77-Q80 HydrophobicContact CB-CG 4.37Å; H77-Q80 PolarHBondContact CD2-NE2 3.19Å; H77-Q80 WeakPolarHBondContact O-CB 3.25Å; H77-Q80 WeakPolarHBondContact O-CG 3.48Å; H77-Q80 PolarHBondContact O-N 2.77Å |
| 81 | C | 96.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 65.1 Ų | 65.1 | 10% | 0.101 | 33% | 0.325 | C | S | . | . | trans | -132.2 | 107.5 | 179 | -173.9 | 0 | 0 | 0 | 0 | 112 | C63 C71 A83 C84 R85 | C63-C81 VanDerWaalsContact SG-SG 3.6Å; C71-C81 HydrophobicContact CB-CB 3.64Å; C81-A83 VanDerWaalsContact C-N 3.34Å; C81-A83 PolarHBondContact O-N 3.29Å; C81-C84 HydrophobicContact CB-CB 4.23Å; C81-C84 PolarHBondContact SG-N 3.49Å; C81-C84 VanDerWaalsContact SG-SG 3.66Å; C81-R85 WeakPolarHBondContact O-CB 3.4Å; C81-R85 PolarHBondContact O-N 3.28Å; C81-R85 VanDerWaalsContact O-N 3.12Å | ||
| 82 | R | 96.7 | Very high | 96.1 | Very high | 160 Ų | 160 | 65.5 Ų | 65.5 | 60% | 0.604 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.3 | -32.6 | 178.4 | -64.5 | 178.1 | 179.7 | 159.4 | -0.3 | 112.5 | F50 Y61 L86 | F50-R82 HydrophobicContact CE2-CB 4.17Å; F50-R82 HydrophobicContact CE2-CG 4.15Å; F50-R82 HydrophobicContact CZ-CB 4.24Å; F50-R82 WeakPolarHBondContact CZ-O 3.45Å; Y61-R82 HydrophobicContact CD1-CB 3.84Å; Y61-R82 HydrophobicContact CD2-CB 3.9Å; Y61-R82 HydrophobicContact CE1-CB 4.12Å; Y61-R82 HydrophobicContact CE2-CB 4.17Å; Y61-R82 HydrophobicContact CG-CB 3.73Å; R82-L86 WeakPolarHBondContact O-CB 3.49Å; R82-L86 PolarHBondContact O-N 3.48Å |
| 83 | A | 96.6 | Very high | 96.2 | Very high | 18 Ų | 18 | 68 Ų | 68 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64 | -54.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C63 C81 R85 L86 K87 | C63-A83 HydrophobicContact CB-CB 3.92Å; C81-A83 VanDerWaalsContact C-N 3.34Å; C81-A83 PolarHBondContact O-N 3.29Å; A83-R85 VanDerWaalsContact C-N 3.3Å; A83-R85 PolarHBondContact O-N 2.91Å; A83-L86 PolarHBondContact O-N 2.9Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.23Å |
| 84 | C | 96.5 | Very high | 96.3 | Very high | 12 Ų | 12 | 67.7 Ų | 67.7 | 8% | 0.081 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.9 | -34.7 | 177.9 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | C71 V73 C81 K88 | C71-C84 HydrophobicContact CB-CB 3.94Å; C71-C84 VanDerWaalsContact SG-SG 3.62Å; V73-C84 HydrophobicContact CG2-CB 4.37Å; C81-C84 HydrophobicContact CB-CB 4.23Å; C81-C84 PolarHBondContact SG-N 3.49Å; C81-C84 VanDerWaalsContact SG-SG 3.66Å; C84-K88 WeakPolarHBondContact O-CB 3.37Å; C84-K88 PolarHBondContact O-N 2.75Å |
| 85 | R | 97.8 | Very high | 96.2 | Very high | 8 Ų | 8 | 68.7 Ų | 68.7 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 174.6 | -168.3 | -169.3 | -166.6 | 160.1 | -5.1 | 112.5 | V29 G46 C47 F50 V73 R78 N79 C81 A83 K88 C89 | V29-R85 HydrophobicContact CG1-CG 4.49Å; G46-R85 PolarHBondContact O-NH2 2.97Å; C47-R85 PolarHBondContact SG-NH2 3.47Å; C47-R85 VanDerWaalsContact SG-NH2 3.45Å; F50-R85 VanDerWaalsContact CD1-CD 3.44Å; F50-R85 HydrophobicContact CD1-CG 3.85Å; F50-R85 HydrophobicContact CE1-CB 3.89Å; F50-R85 HydrophobicContact CE1-CG 3.67Å; F50-R85 HydrophobicContact CZ-CB 4.07Å; F50-R85 HydrophobicContact CZ-CG 4.23Å; V73-R85 HydrophobicContact CG1-CB 4.47Å; V73-R85 HydrophobicContact CG1-CG 4.07Å; V73-R85 HydrophobicContact CG2-CB 4.44Å; R78-R85 VanDerWaalsContact O-CD 3.22Å; R78-R85 WeakPolarHBondContact O-CD 3.31Å; R78-R85 PolarHBondContact O-NH1 3.45Å; R78-R85 VanDerWaalsContact O-NH1 3.15Å; N79-R85 PolarHBondContact OD1-NH1 3.09Å; C81-R85 WeakPolarHBondContact O-CB 3.4Å; C81-R85 PolarHBondContact O-N 3.28Å; C81-R85 VanDerWaalsContact O-N 3.12Å; A83-R85 VanDerWaalsContact C-N 3.3Å; A83-R85 PolarHBondContact O-N 2.91Å; R85-K88 PolarHBondContact O-N 3.28Å; R85-C89 PolarHBondContact O-N 3.25Å; R85-C89 PolarHBondContact O-SG 3.04Å; R85-C89 VanDerWaalsContact O-SG 3.33Å |
| 86 | L | 97.5 | Very high | 96.2 | Very high | 21 Ų | 21 | 68.2 Ų | 68.2 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68 | -41.9 | 178.9 | -176.6 | 61 | 0 | 0 | 0 | 111.2 | F50 F51 I55 Y61 R82 A83 K88 C89 L90 | F50-L86 HydrophobicContact CE1-CB 3.84Å; F50-L86 HydrophobicContact CE1-CD1 4.24Å; F50-L86 HydrophobicContact CZ-CB 4Å; F51-L86 HydrophobicContact CD2-CD1 4.12Å; I55-L86 HydrophobicContact CD1-CD1 4.48Å; Y61-L86 HydrophobicContact CD2-CB 4.12Å; Y61-L86 HydrophobicContact CD2-CD2 3.78Å; Y61-L86 HydrophobicContact CE2-CB 4.36Å; Y61-L86 HydrophobicContact CE2-CD2 3.89Å; R82-L86 WeakPolarHBondContact O-CB 3.49Å; R82-L86 PolarHBondContact O-N 3.48Å; A83-L86 PolarHBondContact O-N 2.9Å; L86-K88 PolarHBondContact O-N 2.87Å; L86-C89 WeakPolarHBondContact O-CB 3.44Å; L86-C89 PolarHBondContact O-N 3.44Å; L86-L90 PolarHBondContact O-N 3.4Å |
| 87 | K | 96.4 | Very high | 96 | Very high | 125 Ų | 125 | 69.4 Ų | 69.4 | 54% | 0.543 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.6 | -51.6 | 172.2 | -173.6 | -178.8 | 175.8 | 179.6 | 0 | 110.7 | A83 C89 L90 D91 | A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.23Å; K87-C89 VanDerWaalsContact C-N 3.31Å; K87-C89 PolarHBondContact O-N 3.37Å; K87-L90 WeakPolarHBondContact O-CA 3.36Å; K87-L90 WeakPolarHBondContact O-CB 3.45Å; K87-L90 PolarHBondContact O-N 2.7Å; K87-D91 VanDerWaalsContact O-CG 3.24Å; K87-D91 PolarHBondContact O-N 3.01Å |
| 88 | K | 97.5 | Very high | 95.8 | Very high | 70 Ų | 70 | 68.1 Ų | 68.1 | 30% | 0.304 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -33.6 | 178.4 | -165.9 | 173.3 | -176 | -175.2 | 0 | 113.6 | V29 V73 C84 R85 L86 L90 D91 V92 | V29-K88 HydrophobicContact CG1-CG 4.49Å; V29-K88 VanDerWaalsContact O-CD 3.24Å; V29-K88 WeakPolarHBondContact O-CD 3.22Å; V29-K88 WeakPolarHBondContact O-CE 3.2Å; V29-K88 PolarHBondContact O-NZ 2.73Å; V73-K88 HydrophobicContact CB-CD 3.7Å; V73-K88 HydrophobicContact CG1-CD 4.06Å; V73-K88 HydrophobicContact CG2-CD 4.15Å; V73-K88 PolarHBondContact O-NZ 3.2Å; C84-K88 WeakPolarHBondContact O-CB 3.37Å; C84-K88 PolarHBondContact O-N 2.75Å; R85-K88 PolarHBondContact O-N 3.28Å; L86-K88 PolarHBondContact O-N 2.87Å; K88-L90 VanDerWaalsContact C-N 3.29Å; K88-L90 PolarHBondContact O-N 2.92Å; K88-D91 PolarHBondContact O-N 3.41Å; K88-V92 WeakPolarHBondContact O-CG1 3.45Å; K88-V92 WeakPolarHBondContact O-CG2 3.26Å; K88-V92 PolarHBondContact O-N 3.1Å; K88-V92 VanDerWaalsContact O-N 3.11Å |
| 89 | C | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 171.9 | -73.1 | 0 | 0 | 0 | 0 | 112.1 | F51 R85 L86 K87 V92 M94 | F51-C89 HydrophobicContact CD2-CB 3.46Å; F51-C89 VanDerWaalsContact CD2-CB 3.46Å; F51-C89 HydrophobicContact CE2-CB 3.98Å; F51-C89 HydrophobicContact CG-CB 4.37Å; R85-C89 PolarHBondContact O-N 3.25Å; R85-C89 PolarHBondContact O-SG 3.04Å; R85-C89 VanDerWaalsContact O-SG 3.33Å; L86-C89 WeakPolarHBondContact O-CB 3.44Å; L86-C89 PolarHBondContact O-N 3.44Å; K87-C89 VanDerWaalsContact C-N 3.31Å; K87-C89 PolarHBondContact O-N 3.37Å; C89-V92 WeakPolarHBondContact O-CG2 3.45Å; C89-M94 HydrophobicContact CB-CG 4.47Å; C89-M94 HydrophobicContact CB-SD 3.8Å; C89-M94 VanDerWaalsContact O-CB 3.23Å; C89-M94 WeakPolarHBondContact O-CB 3.45Å; C89-M94 WeakPolarHBondContact O-CG 3.44Å; C89-M94 PolarHBondContact O-N 3.2Å |
| 90 | L | 97.1 | Very high | 94.9 | Very high | 77 Ų | 77 | 66.2 Ų | 66.2 | 40% | 0.403 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.3 | -41.1 | 177.2 | -63.3 | 168.8 | 0 | 0 | 0 | 111.3 | F51 L86 K87 K88 V92 N93 | F51-L90 HydrophobicContact CE2-CD2 3.84Å; F51-L90 HydrophobicContact CE2-CG 4.43Å; F51-L90 HydrophobicContact CZ-CD2 4.27Å; L86-L90 PolarHBondContact O-N 3.4Å; K87-L90 WeakPolarHBondContact O-CA 3.36Å; K87-L90 WeakPolarHBondContact O-CB 3.45Å; K87-L90 PolarHBondContact O-N 2.7Å; K88-L90 VanDerWaalsContact C-N 3.29Å; K88-L90 PolarHBondContact O-N 2.92Å; L90-V92 PolarHBondContact O-N 3.41Å; L90-N93 WeakPolarHBondContact O-CA 3.23Å; L90-N93 PolarHBondContact O-N 3.35Å |
| 91 | D | 96.9 | Very high | 93.5 | Very high | 106 Ų | 106 | 68.6 Ų | 68.6 | 57% | 0.567 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.8 | -29.3 | 179.1 | -61.4 | -20.8 | 0 | 0 | 0 | 112.7 | K87 K88 N93 | K87-D91 VanDerWaalsContact O-CG 3.24Å; K87-D91 PolarHBondContact O-N 3.01Å; K88-D91 PolarHBondContact O-N 3.41Å; D91-N93 PolarHBondContact O-N 3.45Å |
| 92 | V | 97.3 | Very high | 91.8 | Very high | 34 Ų | 34 | 73.3 Ų | 73.3 | 21% | 0.206 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 9.4 | 172.9 | -55.8 | 0 | 0 | 0 | 0 | 113.3 | K28 V29 V41 K88 C89 L90 M94 | K28-V92 HydrophobicContact CB-CB 4.24Å; K28-V92 HydrophobicContact CB-CG1 4.18Å; K28-V92 HydrophobicContact CB-CG2 4.48Å; V29-V92 HydrophobicContact CG2-CG2 3.78Å; V41-V92 HydrophobicContact CG1-CB 4.49Å; V41-V92 HydrophobicContact CG1-CG2 4.19Å; V41-V92 WeakPolarHBondContact CG2-O 3.44Å; K88-V92 WeakPolarHBondContact O-CG1 3.45Å; K88-V92 WeakPolarHBondContact O-CG2 3.26Å; K88-V92 PolarHBondContact O-N 3.1Å; K88-V92 VanDerWaalsContact O-N 3.11Å; C89-V92 WeakPolarHBondContact O-CG2 3.45Å; L90-V92 PolarHBondContact O-N 3.41Å; V92-M94 HydrophobicContact CG2-CG 4.18Å |
| 93 | N | 97 | Very high | 90.1 | Very high | 130 Ų | 130 | 72.8 Ų | 72.8 | 70% | 0.695 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 39.5 | 179 | -58.9 | -15.3 | 0 | 0 | 0 | 114.7 | V41 L90 D91 N95 | V41-N93 WeakPolarHBondContact CG2-O 3.47Å; L90-N93 WeakPolarHBondContact O-CA 3.23Å; L90-N93 PolarHBondContact O-N 3.35Å; D91-N93 PolarHBondContact O-N 3.45Å; N93-N95 PolarHBondContact O-N 3.34Å |
| 94 | M | 97.8 | Very high | 88 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 3% | 0.03 | 38% | 0.375 | C | S | . | . | trans | -63.9 | 121.7 | 164 | -71.8 | -172.2 | 163.6 | 0 | 0 | 109.5 | V29 Y39 V41 A43 F51 C89 V92 K96 | V29-M94 HydrophobicContact CG2-CE 3.68Å; V29-M94 HydrophobicContact CG2-SD 4.29Å; Y39-M94 WeakPolarHBondContact O-CA 3.46Å; V41-M94 HydrophobicContact CB-CG 4.28Å; V41-M94 HydrophobicContact CG2-CG 4.11Å; A43-M94 HydrophobicContact CB-CE 3.25Å; F51-M94 HydrophobicContact CB-SD 3.83Å; F51-M94 HydrophobicContact CD1-CB 4.04Å; F51-M94 HydrophobicContact CD1-SD 4.15Å; F51-M94 HydrophobicContact CD2-CB 4.03Å; F51-M94 HydrophobicContact CD2-SD 3.98Å; F51-M94 HydrophobicContact CE1-CB 3.71Å; F51-M94 HydrophobicContact CE2-CB 3.68Å; F51-M94 HydrophobicContact CG-CB 4.18Å; F51-M94 HydrophobicContact CG-SD 3.72Å; F51-M94 HydrophobicContact CZ-CB 3.5Å; F51-M94 VanDerWaalsContact CZ-O 3.24Å; F51-M94 WeakPolarHBondContact CZ-O 3.48Å; C89-M94 HydrophobicContact CB-CG 4.47Å; C89-M94 HydrophobicContact CB-SD 3.8Å; C89-M94 VanDerWaalsContact O-CB 3.23Å; C89-M94 WeakPolarHBondContact O-CB 3.45Å; C89-M94 WeakPolarHBondContact O-CG 3.44Å; C89-M94 PolarHBondContact O-N 3.2Å; V92-M94 HydrophobicContact CG2-CG 4.18Å; M94-K96 PolarHBondContact O-N 3.23Å | ||
| 95 | N | 95.1 | Very high | 85.3 | Confident | 74 Ų | 74 | 76.3 Ų | 76.3 | 40% | 0.396 | 39% | 0.389 | S | S | . | . | trans | -73.3 | 109.1 | -176.2 | -175.8 | -11.4 | 0 | 0 | 0 | 110.7 | Y39 N93 D97 A98 | Y39-N95 PolarHBondContact O-N 2.95Å; N93-N95 PolarHBondContact O-N 3.34Å; N95-D97 VanDerWaalsContact C-N 3.29Å; N95-D97 PolarHBondContact O-N 3.28Å; N95-D97 WeakPolarHBondContact OD1-CA 3.44Å; N95-D97 WeakPolarHBondContact OD1-CB 3.49Å; N95-D97 PolarHBondContact OD1-N 3.3Å; N95-A98 HydrophobicContact CB-CB 3.97Å; N95-A98 PolarHBondContact O-N 2.89Å; N95-A98 PolarHBondContact OD1-N 3.22Å | ||
| 96 | K | 93.9 | Very high | 83.2 | Confident | 118 Ų | 118 | 86 Ų | 86 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -64.4 | -32.7 | 176.8 | 69.7 | -179.6 | -175.1 | 177.5 | 0 | 112.4 | F51 I55 M94 A98 V99 | F51-K96 HydrophobicContact CZ-CB 4.19Å; I55-K96 HydrophobicContact CD1-CB 4.11Å; I55-K96 HydrophobicContact CG1-CB 4.32Å; I55-K96 HydrophobicContact CG2-CB 4.18Å; M94-K96 PolarHBondContact O-N 3.23Å; K96-A98 VanDerWaalsContact C-N 3.28Å; K96-A98 PolarHBondContact O-N 3.31Å; K96-V99 VanDerWaalsContact O-CB 3.25Å; K96-V99 WeakPolarHBondContact O-CB 3.42Å; K96-V99 WeakPolarHBondContact O-CG2 3.3Å; K96-V99 PolarHBondContact O-N 3.36Å; K96-V99 VanDerWaalsContact O-N 3.07Å |
| 97 | D | 89.9 | Confident | 80.6 | Confident | 127 Ų | 127 | 92 Ų | 92 | 68% | 0.679 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -21.5 | -177 | -51.1 | -47.6 | 0 | 0 | 0 | 111.4 | N95 V99 | N95-D97 VanDerWaalsContact C-N 3.29Å; N95-D97 PolarHBondContact O-N 3.28Å; N95-D97 WeakPolarHBondContact OD1-CA 3.44Å; N95-D97 WeakPolarHBondContact OD1-CB 3.49Å; N95-D97 PolarHBondContact OD1-N 3.3Å; D97-V99 PolarHBondContact O-N 3.47Å |
| 98 | A | 89.1 | Confident | 78.2 | Confident | 43 Ų | 43 | 87 Ų | 87 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y39 N95 K96 Q100 | Y39-A98 HydrophobicContact CD1-CB 4.11Å; N95-A98 HydrophobicContact CB-CB 3.97Å; N95-A98 PolarHBondContact O-N 2.89Å; N95-A98 PolarHBondContact OD1-N 3.22Å; K96-A98 VanDerWaalsContact C-N 3.28Å; K96-A98 PolarHBondContact O-N 3.31Å; A98-Q100 PolarHBondContact O-N 2.95Å |
| 99 | V | 88.8 | Confident | 75.7 | Confident | 15 Ų | 15 | 88 Ų | 88 | 9% | 0.091 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -78.6 | 90.2 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | Y39 F51 K52 I55 R56 K96 D97 | Y39-V99 HydrophobicContact CD1-CG2 3.72Å; Y39-V99 HydrophobicContact CE1-CB 4.36Å; Y39-V99 HydrophobicContact CE1-CG2 3.64Å; Y39-V99 HydrophobicContact CG-CG2 4.45Å; F51-V99 HydrophobicContact CD1-CG2 3.92Å; F51-V99 HydrophobicContact CE1-CG2 3.66Å; K52-V99 HydrophobicContact CG-CG1 4.21Å; I55-V99 HydrophobicContact CB-CB 4.31Å; I55-V99 HydrophobicContact CB-CG1 4.26Å; I55-V99 HydrophobicContact CB-CG2 4.07Å; I55-V99 HydrophobicContact CG1-CG2 4.28Å; I55-V99 HydrophobicContact CG2-CB 3.92Å; I55-V99 HydrophobicContact CG2-CG1 4.19Å; I55-V99 HydrophobicContact CG2-CG2 4.05Å; R56-V99 HydrophobicContact CG-CG1 3.7Å; K96-V99 VanDerWaalsContact O-CB 3.25Å; K96-V99 WeakPolarHBondContact O-CB 3.42Å; K96-V99 WeakPolarHBondContact O-CG2 3.3Å; K96-V99 PolarHBondContact O-N 3.36Å; K96-V99 VanDerWaalsContact O-N 3.07Å; D97-V99 PolarHBondContact O-N 3.47Å |
| 100 | Q | 82.6 | Confident | 73.3 | Confident | 105 Ų | 105 | 93.3 Ų | 93.3 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | trans | -59.8 | 142.6 | 174.9 | -65.2 | 174.7 | -7.9 | 0 | 0 | 111.2 | R56 A98 | R56-Q100 PolarHBondContact NE-O 3.2Å; R56-Q100 VanDerWaalsContact NE-O 3.09Å; R56-Q100 PolarHBondContact NH2-O 3.46Å; A98-Q100 PolarHBondContact O-N 2.95Å | ||
| 101 | H | 65.7 | Low | 71 | Confident | 177 Ų | 177 | 100 Ų | 100 | 82% | 0.819 | 50% | 0.504 | S | S | * | . | trans | -49 | 150.7 | 167 | -86.4 | 77.7 | 0 | 0 | 0 | 110.2 | R103 | H101-R103 PolarHBondContact O-N 3.41Š| ||
| 102 | E | 60.3 | Low | 68.4 | Low | 113 Ų | 113 | 98.5 Ų | 98.5 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | trans | -45 | 102.5 | -177.6 | -75.8 | -86.9 | 130.5 | 0 | 0 | 111.2 | R56 G104 | R56-E102 WeakPolarHBondContact CD-OE1 3.49Å; R56-E102 IonicContact CZ-OE1 3.58Å; R56-E102 IonicContact NE-OE1 3.25Å; R56-E102 IonicContact NH1-OE1 3.57Å; R56-E102 PolarHBondContact NH1-OE1 3.37Å; E102-G104 PolarHBondContact O-N 3.23Å | ||
| 103 | R | 59.8 | Low | 66.1 | Low | 149 Ų | 149 | 101 Ų | 101 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | trans | -62.2 | 124.6 | 153.1 | -61.5 | -174.6 | -172 | -158.7 | 0.7 | 105 | H101 | H101-R103 PolarHBondContact O-N 3.41Š| ||
| 104 | G | 52.3 | Low | 63.9 | Low | 46 Ų | 46 | 97.7 Ų | 97.7 | 47% | 0.474 | 49% | 0.486 | S | S | . | . | trans | -44.1 | 143.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | E102 R106 | E102-G104 PolarHBondContact O-N 3.23Å; G104-R106 PolarHBondContact O-N 3.49Å | ||
| 105 | P | 41.8 | Very low | 61.5 | Low | 58 Ų | 58 | 100.2 Ų | 100.2 | 38% | 0.377 | 51% | 0.508 | S | S | . | . | trans | -53.9 | 132.3 | -176.7 | -7.2 | 11.1 | 0 | 0 | 0 | 110.1 | T107 S108 K112 | P105-T107 PolarHBondContact O-N 2.99Å; P105-S108 VanDerWaalsContact C-OG 3.27Å; P105-S108 VanDerWaalsContact CA-OG 3.29Å; P105-S108 WeakPolarHBondContact CA-OG 3.5Å; P105-S108 WeakPolarHBondContact CB-OG 3.46Å; P105-S108 WeakPolarHBondContact CD-OG 3.42Å; P105-S108 WeakPolarHBondContact CG-OG 3.47Å; P105-S108 WeakPolarHBondContact O-CB 3.48Å; P105-S108 PolarHBondContact O-N 3.34Å; P105-S108 PolarHBondContact O-OG 3.1Å; P105-K112 HydrophobicContact CG-CD 3.9Å | ||
| 106 | R | 52.1 | Low | 59.1 | Low | 213 Ų | 213 | 102.7 Ų | 102.7 | 80% | 0.804 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 13 | -168.5 | -119.4 | 178.9 | -179.9 | 129.2 | -3.6 | 115.4 | G104 | G104-R106 PolarHBondContact O-N 3.49Š|
| 107 | T | 44.4 | Very low | 56.8 | Low | 147 Ų | 147 | 104.1 Ų | 104.1 | 90% | 0.902 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.1 | 24.7 | 170.3 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | P105 | P105-T107 PolarHBondContact O-N 2.99Š|
| 108 | S | 44 | Very low | 54.9 | Low | 20 Ų | 20 | 105.2 Ų | 105.2 | 14% | 0.14 | 52% | 0.523 | C | S | . | . | trans | -131.5 | 13.3 | -174 | 74.5 | 0 | 0 | 0 | 0 | 113.1 | P105 I110 R111 K112 | P105-S108 VanDerWaalsContact C-OG 3.27Å; P105-S108 VanDerWaalsContact CA-OG 3.29Å; P105-S108 WeakPolarHBondContact CA-OG 3.5Å; P105-S108 WeakPolarHBondContact CB-OG 3.46Å; P105-S108 WeakPolarHBondContact CD-OG 3.42Å; P105-S108 WeakPolarHBondContact CG-OG 3.47Å; P105-S108 WeakPolarHBondContact O-CB 3.48Å; P105-S108 PolarHBondContact O-N 3.34Å; P105-S108 PolarHBondContact O-OG 3.1Å; S108-I110 PolarHBondContact O-N 3.45Å; S108-R111 PolarHBondContact O-N 3.47Å; S108-K112 WeakPolarHBondContact O-CA 3.37Å; S108-K112 WeakPolarHBondContact O-CB 2.96Å; S108-K112 PolarHBondContact O-N 3.05Å | ||
| 109 | T | 46.8 | Very low | 52.6 | Low | 90 Ų | 90 | 114 Ų | 114 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -55.3 | -44.9 | 178.7 | -15.1 | 0 | 0 | 0 | 0 | 109.4 | Q113 | T109-Q113 WeakPolarHBondContact O-CB 3.24Å; T109-Q113 WeakPolarHBondContact O-CG 3.44Å; T109-Q113 PolarHBondContact O-N 3.28Å; T109-Q113 PolarHBondContact O-OE1 2.64Å |
| 110 | I | 47 | Very low | 49.9 | Very low | 112 Ų | 112 | 116.3 Ų | 116.3 | 57% | 0.574 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.3 | -57.6 | 175.8 | -64.8 | 170.1 | 0 | 0 | 0 | 112.3 | S108 K112 V114 | S108-I110 PolarHBondContact O-N 3.45Å; I110-K112 VanDerWaalsContact C-N 3.34Å; I110-K112 PolarHBondContact O-N 3.36Å; I110-V114 WeakPolarHBondContact O-CB 3.37Å; I110-V114 WeakPolarHBondContact O-CG2 3.19Å; I110-V114 PolarHBondContact O-N 3.23Å |
| 111 | R | 47.7 | Very low | 47.7 | Very low | 217 Ų | 217 | 120.3 Ų | 120.3 | 82% | 0.819 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.5 | -29.6 | -176.4 | -72.2 | -171.4 | -168.5 | -178.4 | 3.9 | 113.9 | S108 A115 | S108-R111 PolarHBondContact O-N 3.47Å; R111-A115 WeakPolarHBondContact O-CB 3.33Å; R111-A115 PolarHBondContact O-N 2.94Å |
| 112 | K | 43.4 | Very low | 46.2 | Very low | 74 Ų | 74 | 121.6 Ų | 121.6 | 32% | 0.322 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -88.1 | -30 | -178 | -151 | 172.5 | -176.3 | -173.6 | 0 | 112.1 | P105 S108 I110 V114 L116 | P105-K112 HydrophobicContact CG-CD 3.9Å; S108-K112 WeakPolarHBondContact O-CA 3.37Å; S108-K112 WeakPolarHBondContact O-CB 2.96Å; S108-K112 PolarHBondContact O-N 3.05Å; I110-K112 VanDerWaalsContact C-N 3.34Å; I110-K112 PolarHBondContact O-N 3.36Å; K112-V114 VanDerWaalsContact C-N 3.35Å; K112-L116 WeakPolarHBondContact O-CB 3.44Å; K112-L116 WeakPolarHBondContact O-CD1 3.49Å; K112-L116 VanDerWaalsContact O-CG 3.29Å; K112-L116 WeakPolarHBondContact O-CG 3.45Å; K112-L116 PolarHBondContact O-N 3.41Å |
| 113 | Q | 48.7 | Very low | 44.6 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 41% | 0.411 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.2 | -39.4 | 166.8 | -74.9 | 171.6 | -50.2 | 0 | 0 | 110.6 | T109 Y117 E198 | T109-Q113 WeakPolarHBondContact O-CB 3.24Å; T109-Q113 WeakPolarHBondContact O-CG 3.44Å; T109-Q113 PolarHBondContact O-N 3.28Å; T109-Q113 PolarHBondContact O-OE1 2.64Å; Q113-Y117 PolarHBondContact O-N 2.97Å; Q113-E198 PolarHBondContact NE2-OE1 3.17Å |
| 114 | V | 50.2 | Low | 43.2 | Very low | 59 Ų | 59 | 123.4 Ų | 123.4 | 36% | 0.358 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.9 | -43.6 | 173.3 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | I110 K112 Y117 F118 | I110-V114 WeakPolarHBondContact O-CB 3.37Å; I110-V114 WeakPolarHBondContact O-CG2 3.19Å; I110-V114 PolarHBondContact O-N 3.23Å; K112-V114 VanDerWaalsContact C-N 3.35Å; V114-Y117 VanDerWaalsContact O-CB 3.22Å; V114-Y117 WeakPolarHBondContact O-CB 3.29Å; V114-Y117 PolarHBondContact O-N 3.3Å; V114-F118 HydrophobicContact CG1-CE2 4.09Å; V114-F118 WeakPolarHBondContact O-CD2 3.45Å |
| 115 | A | 48.4 | Very low | 42 | Very low | 60 Ų | 60 | 129 Ų | 129 | 50% | 0.496 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72.7 | -31.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R111 Y117 F118 | R111-A115 WeakPolarHBondContact O-CB 3.33Å; R111-A115 PolarHBondContact O-N 2.94Å; A115-Y117 VanDerWaalsContact C-N 3.27Å; A115-F118 PolarHBondContact O-N 3.28Å |
| 116 | L | 44 | Very low | 41.1 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 66% | 0.66 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.7 | -26.3 | 173.9 | -77.4 | 166.1 | 0 | 0 | 0 | 112 | K112 F118 | K112-L116 WeakPolarHBondContact O-CB 3.44Å; K112-L116 WeakPolarHBondContact O-CD1 3.49Å; K112-L116 VanDerWaalsContact O-CG 3.29Å; K112-L116 WeakPolarHBondContact O-CG 3.45Å; K112-L116 PolarHBondContact O-N 3.41Å; L116-F118 PolarHBondContact O-N 2.9Å |
| 117 | Y | 46.5 | Very low | 39.9 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 58% | 0.576 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -20.3 | 172.6 | -144.7 | -93.6 | 0 | 0 | 0 | 113.3 | Q113 V114 A115 | Q113-Y117 PolarHBondContact O-N 2.97Å; V114-Y117 VanDerWaalsContact O-CB 3.22Å; V114-Y117 WeakPolarHBondContact O-CB 3.29Å; V114-Y117 PolarHBondContact O-N 3.3Å; A115-Y117 VanDerWaalsContact C-N 3.27Å |
| 118 | F | 48.7 | Very low | 39.1 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 66% | 0.662 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 7.9 | -175.8 | -71.1 | -71.8 | 0 | 0 | 0 | 115.6 | V114 A115 L116 | V114-F118 HydrophobicContact CG1-CE2 4.09Å; V114-F118 WeakPolarHBondContact O-CD2 3.45Å; A115-F118 PolarHBondContact O-N 3.28Å; L116-F118 PolarHBondContact O-N 2.9Å |
| 119 | R | 40.7 | Very low | 38.3 | Very low | 227 Ų | 227 | 128.9 Ų | 128.9 | 86% | 0.857 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -92.8 | 6.9 | 179.1 | -145 | 175.4 | -162.4 | -161.6 | 0.7 | 115.2 | ||
| 120 | G | 33.9 | Very low | 37.3 | Very low | 63 Ų | 63 | 132.4 Ų | 132.4 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -94.8 | 5.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 121 | H | 35.8 | Very low | 36.2 | Very low | 190 Ų | 190 | 136 Ų | 136 | 88% | 0.88 | 70% | 0.701 | S | S | * | * | trans | -141.7 | 87.9 | 173 | -84.6 | -77.6 | 0 | 0 | 0 | 111.4 | ||||
| 122 | K | 33.6 | Very low | 35.9 | Very low | 204 Ų | 204 | 131.3 Ų | 131.3 | 89% | 0.887 | 70% | 0.698 | S | S | * | * | trans | -149.2 | 89.3 | 155.1 | -126.7 | -176.6 | -175.7 | -177.6 | 0 | 110.7 | ||||
| 123 | E | 27.2 | Very low | 35 | Very low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | trans | -131 | 155.9 | 148.9 | -64.9 | -154.6 | 159.5 | 0 | 0 | 106.8 | ||||
| 124 | V | 29.6 | Very low | 33.9 | Very low | 111 Ų | 111 | 133 Ų | 133 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | cis | -168.5 | 150 | -32.1 | 147.9 | 0 | 0 | 0 | 0 | 102.8 | ||||
| 125 | N | 26.6 | Very low | 32.7 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | trans | 75.7 | 138 | 175.9 | -63 | -16.6 | 0 | 0 | 0 | 116.5 | ||||
| 126 | G | 24.6 | Very low | 31.6 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | cis | 139.1 | 120.2 | 12.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 127 | S | 26.1 | Very low | 31.1 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | 59.4 | 107.5 | 158.7 | 47.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 128 | S | 28.6 | Very low | 30.4 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 23.8 | 132.8 | 130.9 | 59.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 129 | T | 25.8 | Very low | 29.7 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | -169.1 | 159.7 | 115.2 | 29.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 130 | H | 25.3 | Very low | 29.8 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -78.1 | 168.9 | -165.2 | -114.7 | -99.8 | 0 | 0 | 0 | 118.1 | ||||
| 131 | F | 23.9 | Very low | 29.3 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | 115 | 151.1 | 145.6 | -75.3 | -59.2 | 0 | 0 | 0 | 120 | ||||
| 132 | P | 41.8 | Very low | 28.9 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -127.7 | 172.1 | -141.5 | 29.8 | -4.7 | 0 | 0 | 0 | 115.3 | ||||
| 133 | G | 25.1 | Very low | 28.6 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 110.9 | 141.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 134 | S | 25.2 | Very low | 28.6 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | 87.5 | 166.1 | 147 | 75.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 135 | S | 24.9 | Very low | 28.4 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | -135.2 | 147.1 | -131.1 | 46.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 136 | L | 26.1 | Very low | 28.5 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | 61.9 | 167.2 | 153.2 | -72 | 158.5 | 0 | 0 | 0 | 119.2 | ||||
| 137 | P | 33.5 | Very low | 28.5 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | cis | -129.2 | -175.8 | -17.8 | 27.3 | -2.8 | 0 | 0 | 0 | 114.8 | ||||
| 138 | G | 30.7 | Very low | 28.4 | Very low | 72 Ų | 72 | 133.7 Ų | 133.7 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -68.7 | -154 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 139 | P | 34.8 | Very low | 28.2 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | -142.3 | -135.5 | 15.1 | 32.8 | -3.9 | 0 | 0 | 0 | 114.3 | ||||
| 140 | P | 42.3 | Very low | 28.7 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | -114.9 | -168.5 | -92.1 | 37.1 | -17.2 | 0 | 0 | 0 | 114.1 | |||||
| 141 | F | 24.8 | Very low | 28.7 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 137.8 | 130.4 | 158 | -76.5 | -62.5 | 0 | 0 | 0 | 110.7 | ||||
| 142 | F | 26.6 | Very low | 28.8 | Very low | 179 Ų | 179 | 133 Ų | 133 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | cis | -148.4 | 144.5 | 13.9 | -125.6 | -81.9 | 0 | 0 | 0 | 111.1 | ||||
| 143 | T | 27.4 | Very low | 28 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -67.3 | 160.9 | 160.7 | -21.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 144 | T | 26.3 | Very low | 27.9 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 64% | 0.638 | 79% | 0.789 | S | S | * | * | 169.5 | 138.5 | 83.1 | -39.6 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 145 | V | 26.9 | Very low | 27.9 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | -157.9 | 126 | 117.6 | 172.7 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 146 | T | 27.4 | Very low | 27.9 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | -125.5 | 151.5 | 168.2 | -23.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 147 | Q | 24.6 | Very low | 28 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 103.8 | 107.4 | 156.4 | -59.4 | -162.8 | -26 | 0 | 0 | 118.5 | ||||
| 148 | L | 24 | Very low | 27.6 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 94% | 0.942 | 79% | 0.793 | S | S | * | * | -159.3 | 158.6 | 95.7 | -90.4 | 162.7 | 0 | 0 | 0 | 110 | |||||
| 149 | E | 24.4 | Very low | 27.4 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -108.2 | -167.6 | -147.3 | -134.3 | -161.2 | -170.5 | 0 | 0 | 114 | ||||
| 150 | P | 37.3 | Very low | 27 | Very low | 88 Ų | 88 | 143.9 Ų | 143.9 | 57% | 0.571 | 79% | 0.791 | S | S | * | * | -114.9 | 169.8 | -122.4 | 41.2 | -24.7 | 0 | 0 | 0 | 115.9 | |||||
| 151 | H | 24.3 | Very low | 26.4 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -147.9 | 104.3 | 152 | -104.1 | -66.3 | 0 | 0 | 0 | 112.6 | ||||
| 152 | N | 25.7 | Very low | 26.6 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 17.9 | 114.1 | 150.4 | -59.8 | -22.6 | 0 | 0 | 0 | 120.3 | ||||
| 153 | L | 26.6 | Very low | 26.7 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | -163.6 | 116.2 | 116.7 | -106.7 | 138.6 | 0 | 0 | 0 | 109.5 | |||||
| 154 | E | 23.1 | Very low | 26.9 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -64.9 | 134.8 | 177.2 | -68.3 | 175 | 130.1 | 0 | 0 | 111.5 | ||||
| 155 | M | 24.1 | Very low | 27.2 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | trans | -153.5 | 103.9 | 140.2 | -159.5 | 75.5 | 73.8 | 0 | 0 | 110.4 | ||||
| 156 | S | 24.4 | Very low | 27.6 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 36.7 | 124.4 | 150.7 | -131.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 157 | T | 28.4 | Very low | 28.2 | Very low | 134 Ų | 134 | 143 Ų | 143 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -47.8 | 127.3 | 171.6 | 50.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 158 | V | 26.6 | Very low | 29 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | -131.1 | 126.6 | 148.8 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 159 | A | 26.1 | Very low | 29.8 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | -58 | 146.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T161 | A159-T161 PolarHBondContact O-N 3.49Š| ||
| 160 | S | 26.5 | Very low | 30.9 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 69% | 0.694 | S | S | * | * | trans | -58 | 117.7 | 174.7 | 45.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 161 | T | 28.6 | Very low | 31.3 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 58% | 0.577 | 69% | 0.688 | S | S | * | * | trans | 43 | 138.1 | 132.5 | 58.5 | 0 | 0 | 0 | 0 | 121.6 | A159 E163 | A159-T161 PolarHBondContact O-N 3.49Å; T161-E163 HydrophobicContact CG2-CB 4.48Å | ||
| 162 | P | 29 | Very low | 32.3 | Very low | 125 Ų | 125 | 120.8 Ų | 120.8 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -116.8 | 22.8 | 130.9 | 36.3 | -26.7 | 0 | 0 | 0 | 113.4 | ||
| 163 | E | 30.1 | Very low | 32.9 | Very low | 149 Ų | 149 | 119.1 Ų | 119.1 | 70% | 0.696 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -79.3 | -16.3 | -172.8 | -76.7 | 176.3 | 146.7 | 0 | 0 | 115.6 | T161 Q165 A166 | T161-E163 HydrophobicContact CG2-CB 4.48Å; E163-Q165 VanDerWaalsContact C-N 3.28Å; E163-Q165 PolarHBondContact O-N 3.15Å; E163-A166 PolarHBondContact O-N 3.42Å |
| 164 | R | 29.7 | Very low | 33.6 | Very low | 214 Ų | 214 | 112.8 Ų | 112.8 | 81% | 0.808 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -77.3 | -8.3 | -171.6 | -138.9 | 176.5 | -172.5 | -179.6 | 2.2 | 115 | I167 | R164-I167 HydrophobicContact CG-CD1 4.25Š|
| 165 | Q | 32.9 | Very low | 34.2 | Very low | 177 Ų | 177 | 106.2 Ų | 106.2 | 83% | 0.827 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -89.6 | -18.5 | 177.4 | -74.6 | 179.7 | -12.7 | 0 | 0 | 113.5 | E163 | E163-Q165 VanDerWaalsContact C-N 3.28Å; E163-Q165 PolarHBondContact O-N 3.15Å |
| 166 | A | 36.1 | Very low | 34.7 | Very low | 64 Ų | 64 | 105.3 Ų | 105.3 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -75.3 | -27.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | E163 V168 G169 | E163-A166 PolarHBondContact O-N 3.42Å; A166-V168 PolarHBondContact O-N 2.96Å; A166-V168 VanDerWaalsContact O-N 3.1Å; A166-G169 PolarHBondContact O-N 3.4Å |
| 167 | I | 40.2 | Very low | 35.4 | Very low | 100 Ų | 100 | 102 Ų | 102 | 51% | 0.513 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -64 | -20.2 | -173.1 | -56.9 | 175 | 0 | 0 | 0 | 112.6 | R164 | R164-I167 HydrophobicContact CG-CD1 4.25Š|
| 168 | V | 40.5 | Very low | 35.8 | Very low | 86 Ų | 86 | 99.5 Ų | 99.5 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -93.9 | -15.2 | 179.1 | -176.4 | 0 | 0 | 0 | 0 | 112 | A166 Q172 | A166-V168 PolarHBondContact O-N 2.96Å; A166-V168 VanDerWaalsContact O-N 3.1Å; V168-Q172 HydrophobicContact CG1-CG 3.66Å; V168-Q172 VanDerWaalsContact O-CG 3.22Å; V168-Q172 WeakPolarHBondContact O-CG 3.09Å |
| 169 | G | 40.6 | Very low | 36.5 | Very low | 32 Ų | 32 | 97.5 Ų | 97.5 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -21.7 | -169 | 0 | 0 | 0 | 0 | 0 | 116.1 | A166 P215 | A166-G169 PolarHBondContact O-N 3.4Å; G169-P215 VanDerWaalsContact O-CD 3.29Å; G169-P215 WeakPolarHBondContact O-CD 3.46Å; G169-P215 WeakPolarHBondContact O-CG 3.35Å |
| 170 | L | 47.3 | Very low | 36.9 | Very low | 32 Ų | 32 | 97.9 Ų | 97.9 | 17% | 0.168 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -80.3 | -16.8 | 178.5 | -75.2 | 165.1 | 0 | 0 | 0 | 113.2 | V214 A216 E332 | L170-V214 HydrophobicContact CD2-CG1 4.24Å; L170-A216 HydrophobicContact CD2-CB 3.71Å; L170-E332 HydrophobicContact CD1-CB 4.33Å; L170-E332 HydrophobicContact CD1-CG 3.51Å |
| 171 | A | 47.6 | Very low | 37.6 | Very low | 52 Ų | 52 | 98.1 Ų | 98.1 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -136.6 | 20.4 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 172 | Q | 43.9 | Very low | 37.8 | Very low | 146 Ų | 146 | 97.5 Ų | 97.5 | 68% | 0.682 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -113.3 | 141.5 | 175.3 | -74.3 | -92.2 | -31.2 | 0 | 0 | 112.1 | V168 | V168-Q172 HydrophobicContact CG1-CG 3.66Å; V168-Q172 VanDerWaalsContact O-CG 3.22Å; V168-Q172 WeakPolarHBondContact O-CG 3.09Å |
| 173 | P | 39.4 | Very low | 38 | Very low | 102 Ų | 102 | 96 Ų | 96 | 66% | 0.662 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | -69.8 | 152 | -94.5 | 34.2 | -28.8 | 0 | 0 | 0 | 112.8 | |||
| 174 | T | 41.3 | Very low | 38 | Very low | 44 Ų | 44 | 93.7 Ų | 93.7 | 27% | 0.27 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -50.1 | 142.4 | 161.2 | 42.2 | 0 | 0 | 0 | 0 | 109.9 | K176 | T174-K176 PolarHBondContact O-N 3.46Š|
| 175 | P | 35.3 | Very low | 38.2 | Very low | 48 Ų | 48 | 88.2 Ų | 88.2 | 31% | 0.312 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 120.5 | 170 | -22.3 | 30.4 | 0 | 0 | 0 | 108.9 | Y177 | P175-Y177 WeakPolarHBondContact O-CD2 3.43Å; P175-Y177 WeakPolarHBondContact O-CE2 3.25Å; P175-Y177 PolarHBondContact O-N 3.03Å; P175-Y177 VanDerWaalsContact O-N 3.12Å |
| 176 | K | 33.4 | Very low | 38.3 | Very low | 163 Ų | 163 | 84 Ų | 84 | 71% | 0.709 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 117.8 | 174 | -71.2 | -174 | 178.8 | -178.5 | 0 | 107.7 | T174 | T174-K176 PolarHBondContact O-N 3.46Š|
| 177 | Y | 40.7 | Very low | 38.6 | Very low | 40 Ų | 40 | 89.6 Ų | 89.6 | 16% | 0.157 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 153 | 171.8 | -71.4 | -100.9 | 0 | 0 | 0 | 108.6 | P175 H179 E180 M206 W244 | P175-Y177 WeakPolarHBondContact O-CD2 3.43Å; P175-Y177 WeakPolarHBondContact O-CE2 3.25Å; P175-Y177 PolarHBondContact O-N 3.03Å; P175-Y177 VanDerWaalsContact O-N 3.12Å; Y177-H179 PolarHBondContact O-N 3Å; Y177-E180 PolarHBondContact O-N 3.28Å; Y177-M206 HydrophobicContact CD1-SD 4.32Å; Y177-M206 HydrophobicContact CE1-CB 4.18Å; Y177-M206 HydrophobicContact CE1-CG 3.72Å; Y177-M206 HydrophobicContact CE1-SD 3.44Å; Y177-M206 WeakPolarHBondContact CE1-SD 3.27Å; Y177-M206 WeakPolarHBondContact OH-CB 3.27Å; Y177-W244 HydrophobicContact CD1-CH2 4.13Å; Y177-W244 HydrophobicContact CD1-CZ2 4.22Å; Y177-W244 AromaticContact CD2-CH2 3.36Å; Y177-W244 HydrophobicContact CD2-CH2 3.36Å; Y177-W244 AromaticContact CD2-CZ2 3.5Å; Y177-W244 HydrophobicContact CD2-CZ2 3.5Å; Y177-W244 VanDerWaalsContact CD2-CZ2 3.5Å; Y177-W244 HydrophobicContact CE1-CH2 4.42Å; Y177-W244 HydrophobicContact CE1-CZ2 4.04Å; Y177-W244 AromaticContact CE2-CH2 3.75Å; Y177-W244 HydrophobicContact CE2-CH2 3.75Å; Y177-W244 AromaticContact CE2-CZ2 3.33Å; Y177-W244 HydrophobicContact CE2-CZ2 3.33Å; Y177-W244 AromaticContact CG-CH2 3.58Å; Y177-W244 HydrophobicContact CG-CH2 3.58Å; Y177-W244 AromaticContact CG-CZ2 3.96Å; Y177-W244 HydrophobicContact CG-CZ2 3.96Å; Y177-W244 HydrophobicContact CG-CZ3 4.39Å; Y177-W244 AromaticContact CZ-CZ2 3.61Å |
| 178 | P | 37 | Very low | 38.5 | Very low | 80 Ų | 80 | 92.5 Ų | 92.5 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -51.1 | -26 | -179.1 | -27.3 | 34 | 0 | 0 | 0 | 114.8 | ||
| 179 | H | 40.5 | Very low | 38.2 | Very low | 100 Ų | 100 | 97 Ų | 97 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -80.5 | -9.4 | -179.9 | -54.3 | -74.4 | 0 | 0 | 0 | 115.2 | Y177 E190 | Y177-H179 PolarHBondContact O-N 3Å; H179-E190 IonicContact CE1-OE2 2.74Å; H179-E190 PolarHBondContact CE1-OE2 3.06Å; H179-E190 IonicContact ND1-OE2 3.63Å |
| 180 | E | 34.9 | Very low | 37.8 | Very low | 102 Ų | 102 | 100 Ų | 100 | 48% | 0.477 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -89 | -5.1 | 177.9 | -72.1 | -176.4 | 161.8 | 0 | 0 | 113.4 | Y177 | Y177-E180 PolarHBondContact O-N 3.28Š|
| 181 | V | 41.7 | Very low | 37.5 | Very low | 111 Ų | 111 | 102 Ų | 102 | 67% | 0.673 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -86.6 | -10.9 | -175.8 | -169.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 182 | S | 31.8 | Very low | 37 | Very low | 80 Ų | 80 | 103.4 Ų | 103.4 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -143.3 | 107.7 | 179.9 | -62 | 0 | 0 | 0 | 0 | 108.4 | T184 | S182-T184 PolarHBondContact O-N 3.21Š|
| 183 | G | 33.3 | Very low | 36.9 | Very low | 95 Ų | 95 | 102.3 Ų | 102.3 | 98% | 0.979 | 57% | 0.574 | S | S | * | * | trans | -63.5 | 49.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 184 | T | 29.3 | Very low | 37.7 | Very low | 99 Ų | 99 | 99.9 Ų | 99.9 | 61% | 0.607 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -120.3 | 126.6 | 176.9 | -21 | 0 | 0 | 0 | 0 | 107 | S182 M186 | S182-T184 PolarHBondContact O-N 3.21Å; T184-M186 VanDerWaalsContact C-N 3.27Å; T184-M186 PolarHBondContact O-N 3.15Å |
| 185 | P | 35.4 | Very low | 39.3 | Very low | 100 Ų | 100 | 100.8 Ų | 100.8 | 65% | 0.649 | 56% | 0.562 | S | S | * | * | trans | -70.3 | 84.4 | 179 | 26 | -29.8 | 0 | 0 | 0 | 110.4 | Y187 | P185-Y187 HydrophobicContact CB-CD2 3.44Å; P185-Y187 VanDerWaalsContact CB-CD2 3.44Å; P185-Y187 HydrophobicContact CB-CE2 3.7Å; P185-Y187 PolarHBondContact O-N 3.36Å; P185-Y187 VanDerWaalsContact O-N 3.08Å | ||
| 186 | M | 34 | Very low | 41.6 | Very low | 88 Ų | 88 | 99.3 Ų | 99.3 | 43% | 0.433 | 55% | 0.552 | S | S | . | * | trans | -74.1 | 26.9 | 168.3 | -100.2 | -73.5 | -113.8 | 0 | 0 | 111.8 | T184 L188 Y189 E190 | T184-M186 VanDerWaalsContact C-N 3.27Å; T184-M186 PolarHBondContact O-N 3.15Å; M186-L188 PolarHBondContact O-N 3.2Å; M186-Y189 HydrophobicContact CE-CD1 4.35Å; M186-Y189 HydrophobicContact SD-CD1 4.49Å; M186-E190 HydrophobicContact CE-CG 4.39Å | ||
| 187 | Y | 41.7 | Very low | 44.1 | Very low | 182 Ų | 182 | 91.8 Ų | 91.8 | 71% | 0.714 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -11.8 | -175 | -63.1 | -72.7 | 0 | 0 | 0 | 113.7 | P185 | P185-Y187 HydrophobicContact CB-CD2 3.44Å; P185-Y187 VanDerWaalsContact CB-CD2 3.44Å; P185-Y187 HydrophobicContact CB-CE2 3.7Å; P185-Y187 PolarHBondContact O-N 3.36Å; P185-Y187 VanDerWaalsContact O-N 3.08Å |
| 188 | L | 39.8 | Very low | 46.2 | Very low | 160 Ų | 160 | 92 Ų | 92 | 84% | 0.838 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -21 | -172.8 | -93.4 | 146.5 | 0 | 0 | 0 | 114.9 | M186 | M186-L188 PolarHBondContact O-N 3.2Š|
| 189 | Y | 32.6 | Very low | 48.5 | Very low | 182 Ų | 182 | 89.2 Ų | 89.2 | 71% | 0.714 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -32.1 | -168.8 | -164.1 | -104.4 | 0 | 0 | 0 | 114.5 | M186 | M186-Y189 HydrophobicContact CE-CD1 4.35Å; M186-Y189 HydrophobicContact SD-CD1 4.49Å |
| 190 | E | 32.8 | Very low | 50.9 | Low | 94 Ų | 94 | 84.5 Ų | 84.5 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -94.8 | -24.7 | -178.9 | -88.5 | 176.3 | 132.9 | 0 | 0 | 114.8 | H179 M186 A192 T193 | H179-E190 IonicContact CE1-OE2 2.74Å; H179-E190 PolarHBondContact CE1-OE2 3.06Å; H179-E190 IonicContact ND1-OE2 3.63Å; M186-E190 HydrophobicContact CE-CG 4.39Å; E190-A192 PolarHBondContact O-N 3.08Å; E190-T193 PolarHBondContact O-OG1 3.48Å |
| 191 | V | 40.7 | Very low | 53.4 | Low | 73 Ų | 73 | 81.2 Ų | 81.2 | 44% | 0.442 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -24.8 | 170.7 | -178.3 | 0 | 0 | 0 | 0 | 111 | T193 P247 | V191-T193 PolarHBondContact O-N 3.48Å; V191-P247 HydrophobicContact CG1-CG 4.41Å |
| 192 | A | 38.5 | Very low | 55.6 | Low | 83 Ų | 83 | 80.5 Ų | 80.5 | 69% | 0.686 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -16.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E190 | E190-A192 PolarHBondContact O-N 3.08Š|
| 193 | T | 41.1 | Very low | 58.5 | Low | 122 Ų | 122 | 77.2 Ų | 77.2 | 75% | 0.748 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -17.4 | -179 | 55.4 | 0 | 0 | 0 | 0 | 114.8 | E190 V191 | E190-T193 PolarHBondContact O-OG1 3.48Å; V191-T193 PolarHBondContact O-N 3.48Å |
| 194 | E | 55.3 | Low | 61.2 | Low | 51 Ų | 51 | 72.9 Ų | 72.9 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -95 | 133.6 | 177.7 | -66.8 | -171.7 | -179.5 | 0 | 0 | 110.5 | R202 | E194-R202 VanDerWaalsContact CD-CZ 3.43Å; E194-R202 IonicContact OE1-CZ 3.53Å; E194-R202 IonicContact OE1-NE 3.51Å; E194-R202 IonicContact OE1-NH1 2.7Å; E194-R202 PolarHBondContact OE1-NH1 2.74Å; E194-R202 IonicContact OE1-NH2 2.84Å; E194-R202 PolarHBondContact OE1-NH2 3.21Å; E194-R202 IonicContact OE2-CZ 3.76Å; E194-R202 VanDerWaalsContact OE2-CZ 3.24Å; E194-R202 IonicContact OE2-NE 3.51Å; E194-R202 IonicContact OE2-NH1 2.81Å; E194-R202 PolarHBondContact OE2-NH1 3.13Å; E194-R202 IonicContact OE2-NH2 3.88Å |
| 195 | S | 76.3 | Confident | 64.1 | Low | 63 Ų | 63 | 70.8 Ų | 70.8 | 44% | 0.441 | 37% | 0.372 | S | S | . | . | trans | -64.1 | 147.6 | 174.5 | 69.7 | 0 | 0 | 0 | 0 | 110.6 | C197 E198 S199 | S195-C197 PolarHBondContact O-N 3.11Å; S195-C197 VanDerWaalsContact O-N 3.08Å; S195-E198 WeakPolarHBondContact O-CA 3.44Å; S195-E198 WeakPolarHBondContact O-CB 3.17Å; S195-E198 PolarHBondContact O-N 3.38Å; S195-E198 PolarHBondContact OG-N 2.56Å; S195-S199 PolarHBondContact O-N 3.44Å | ||
| 196 | V | 83.6 | Confident | 66.6 | Low | 17 Ų | 17 | 68.1 Ų | 68.1 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -52.9 | -34.9 | 176.9 | 178.9 | 0 | 0 | 0 | 0 | 112.1 | E198 S199 A200 I246 T252 L253 V256 F374 | V196-E198 VanDerWaalsContact C-N 3.34Å; V196-E198 PolarHBondContact O-N 3.06Å; V196-S199 PolarHBondContact O-N 2.92Å; V196-A200 WeakPolarHBondContact O-CB 3.28Å; V196-A200 PolarHBondContact O-N 3.36Å; V196-I246 HydrophobicContact CG1-CG2 4.12Å; V196-T252 HydrophobicContact CG2-CG2 3.95Å; V196-L253 HydrophobicContact CG1-CD2 3.81Å; V196-V256 HydrophobicContact CB-CG1 4.23Å; V196-V256 HydrophobicContact CG2-CG2 4.32Å; V196-F374 HydrophobicContact CG1-CD1 4.05Å; V196-F374 HydrophobicContact CG1-CE1 3.89Å |
| 197 | C | 85 | Confident | 69.3 | Low | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.034 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -35.6 | 174.3 | -65.4 | 0 | 0 | 0 | 0 | 113.5 | S195 A201 V256 F374 | S195-C197 PolarHBondContact O-N 3.11Å; S195-C197 VanDerWaalsContact O-N 3.08Å; C197-A201 WeakPolarHBondContact O-CB 3.46Å; C197-A201 PolarHBondContact O-N 2.94Å; C197-V256 VanDerWaalsContact SG-CG1 3.51Å; C197-F374 WeakPolarHBondContact CA-O 3.3Å; C197-F374 WeakPolarHBondContact CB-O 3.35Å; C197-F374 PolarHBondContact SG-O 2.97Å |
| 198 | E | 84.4 | Confident | 71.7 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.9 | -45.5 | 176.8 | -178.3 | 169 | -174 | 0 | 0 | 110.8 | Q113 S195 V196 A200 A201 R202 | Q113-E198 PolarHBondContact NE2-OE1 3.17Å; S195-E198 WeakPolarHBondContact O-CA 3.44Å; S195-E198 WeakPolarHBondContact O-CB 3.17Å; S195-E198 PolarHBondContact O-N 3.38Å; S195-E198 PolarHBondContact OG-N 2.56Å; V196-E198 VanDerWaalsContact C-N 3.34Å; V196-E198 PolarHBondContact O-N 3.06Å; E198-A200 VanDerWaalsContact C-N 3.28Å; E198-A200 PolarHBondContact O-N 2.81Å; E198-A201 PolarHBondContact O-N 2.82Å; E198-R202 WeakPolarHBondContact O-CG 3.39Å; E198-R202 PolarHBondContact O-N 3.08Å; E198-R202 IonicContact OE1-CZ 3.15Å; E198-R202 IonicContact OE1-NE 2.95Å; E198-R202 IonicContact OE1-NH2 3.79Å; E198-R202 PolarHBondContact OE1-NH2 3.46Å |
| 199 | S | 86.2 | Confident | 74 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -40 | 174.8 | -49.9 | 0 | 0 | 0 | 0 | 111.5 | S195 V196 R202 L203 | S195-S199 PolarHBondContact O-N 3.44Å; V196-S199 PolarHBondContact O-N 2.92Å; S199-R202 PolarHBondContact O-N 3.25Å; S199-L203 VanDerWaalsContact O-CB 3.27Å; S199-L203 WeakPolarHBondContact O-CB 3.14Å; S199-L203 PolarHBondContact O-N 3.29Å |
| 200 | A | 89.8 | Confident | 76.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | V196 E198 R202 L203 L204 F237 F374 F375 | V196-A200 WeakPolarHBondContact O-CB 3.28Å; V196-A200 PolarHBondContact O-N 3.36Å; E198-A200 VanDerWaalsContact C-N 3.28Å; E198-A200 PolarHBondContact O-N 2.81Å; A200-R202 PolarHBondContact O-N 3.46Å; A200-L203 PolarHBondContact O-N 2.89Å; A200-L204 PolarHBondContact O-N 3.21Å; A200-F237 HydrophobicContact CB-CE2 3.96Å; A200-F237 HydrophobicContact CB-CZ 3.72Å; A200-F237 WeakPolarHBondContact O-CE2 3.37Å; A200-F374 HydrophobicContact CB-CB 3.83Å; A200-F374 HydrophobicContact CB-CD1 3.8Å; A200-F374 HydrophobicContact CB-CG 4.18Å; A200-F375 HydrophobicContact CB-CE1 4.28Å; A200-F375 HydrophobicContact CB-CZ 4.14Å |
| 201 | A | 89.1 | Confident | 79.7 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 28% | 0.281 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C197 E198 L204 F205 | C197-A201 WeakPolarHBondContact O-CB 3.46Å; C197-A201 PolarHBondContact O-N 2.94Å; E198-A201 PolarHBondContact O-N 2.82Å; A201-L204 PolarHBondContact O-N 2.95Å; A201-F205 PolarHBondContact O-N 3.26Å; A201-F205 VanDerWaalsContact O-N 3.12Å |
| 202 | R | 87.7 | Confident | 82 | Confident | 95 Ų | 95 | 38.9 Ų | 38.9 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62 | -45 | 174.9 | -72 | -177.5 | -177.9 | -168.4 | 12.6 | 111.4 | E194 E198 S199 A200 L204 F205 M206 | E194-R202 VanDerWaalsContact CD-CZ 3.43Å; E194-R202 IonicContact OE1-CZ 3.53Å; E194-R202 IonicContact OE1-NE 3.51Å; E194-R202 IonicContact OE1-NH1 2.7Å; E194-R202 PolarHBondContact OE1-NH1 2.74Å; E194-R202 IonicContact OE1-NH2 2.84Å; E194-R202 PolarHBondContact OE1-NH2 3.21Å; E194-R202 IonicContact OE2-CZ 3.76Å; E194-R202 VanDerWaalsContact OE2-CZ 3.24Å; E194-R202 IonicContact OE2-NE 3.51Å; E194-R202 IonicContact OE2-NH1 2.81Å; E194-R202 PolarHBondContact OE2-NH1 3.13Å; E194-R202 IonicContact OE2-NH2 3.88Å; E198-R202 WeakPolarHBondContact O-CG 3.39Å; E198-R202 PolarHBondContact O-N 3.08Å; E198-R202 IonicContact OE1-CZ 3.15Å; E198-R202 IonicContact OE1-NE 2.95Å; E198-R202 IonicContact OE1-NH2 3.79Å; E198-R202 PolarHBondContact OE1-NH2 3.46Å; S199-R202 PolarHBondContact O-N 3.25Å; A200-R202 PolarHBondContact O-N 3.46Å; R202-L204 PolarHBondContact O-N 2.96Å; R202-F205 PolarHBondContact O-N 3.27Å; R202-M206 WeakPolarHBondContact O-CB 3.34Å; R202-M206 WeakPolarHBondContact O-CG 3.5Å; R202-M206 PolarHBondContact O-N 3.44Å |
| 203 | L | 91.2 | Very high | 84.5 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 179.3 | -179.8 | 64.1 | 0 | 0 | 0 | 111.7 | S199 A200 F205 M206 S207 F237 G240 I241 W244 I246 | S199-L203 VanDerWaalsContact O-CB 3.27Å; S199-L203 WeakPolarHBondContact O-CB 3.14Å; S199-L203 PolarHBondContact O-N 3.29Å; A200-L203 PolarHBondContact O-N 2.89Å; L203-F205 VanDerWaalsContact C-N 3.34Å; L203-F205 PolarHBondContact O-N 2.81Å; L203-M206 PolarHBondContact O-N 3.36Å; L203-S207 PolarHBondContact O-N 2.87Å; L203-S207 PolarHBondContact O-OG 3.44Å; L203-F237 HydrophobicContact CB-CE2 4.36Å; L203-F237 HydrophobicContact CD2-CD2 3.97Å; L203-F237 HydrophobicContact CD2-CE2 3.9Å; L203-F237 HydrophobicContact CG-CD2 4.31Å; L203-F237 HydrophobicContact CG-CE2 4.37Å; L203-G240 VanDerWaalsContact CD2-C 3.4Å; L203-I241 HydrophobicContact CD2-CG1 3.86Å; L203-W244 HydrophobicContact CD1-CG 4.3Å; L203-I246 HydrophobicContact CB-CD1 4.2Å; L203-I246 HydrophobicContact CD2-CD1 3.56Å; L203-I246 HydrophobicContact CG-CD1 4.43Å |
| 204 | L | 91.6 | Very high | 86.9 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 178 | -179.5 | 64.7 | 0 | 0 | 0 | 111.4 | A200 A201 R202 M206 S207 I208 W233 F237 F375 I384 M391 | A200-L204 PolarHBondContact O-N 3.21Å; A201-L204 PolarHBondContact O-N 2.95Å; R202-L204 PolarHBondContact O-N 2.96Å; L204-M206 VanDerWaalsContact C-N 3.33Å; L204-M206 PolarHBondContact O-N 3.46Å; L204-S207 PolarHBondContact O-N 2.96Å; L204-I208 WeakPolarHBondContact O-CG1 3.37Å; L204-I208 PolarHBondContact O-N 3.04Å; L204-I208 VanDerWaalsContact O-N 3.14Å; L204-W233 HydrophobicContact CD1-CE3 4.33Å; L204-F237 HydrophobicContact CB-CD2 4.37Å; L204-F375 HydrophobicContact CB-CE1 4.24Å; L204-F375 HydrophobicContact CB-CZ 4.1Å; L204-F375 HydrophobicContact CD2-CE1 3.93Å; L204-F375 HydrophobicContact CD2-CZ 4Å; L204-I384 HydrophobicContact CD1-CG2 4.43Å; L204-I384 HydrophobicContact CD2-CD1 3.69Å; L204-I384 HydrophobicContact CD2-CG1 4.43Å; L204-I384 HydrophobicContact CD2-CG2 3.84Å; L204-M391 HydrophobicContact CD2-CE 4.05Å; L204-M391 HydrophobicContact CD2-SD 4.18Å; L204-M391 HydrophobicContact CG-CE 4.05Å |
| 205 | F | 89 | Confident | 88.5 | Confident | 55 Ų | 55 | 32.9 Ų | 32.9 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 177.4 | -179.5 | -103.8 | 0 | 0 | 0 | 112.1 | A201 R202 L203 S207 I208 K209 M391 | A201-F205 PolarHBondContact O-N 3.26Å; A201-F205 VanDerWaalsContact O-N 3.12Å; R202-F205 PolarHBondContact O-N 3.27Å; L203-F205 VanDerWaalsContact C-N 3.34Å; L203-F205 PolarHBondContact O-N 2.81Å; F205-S207 VanDerWaalsContact C-N 3.35Å; F205-S207 PolarHBondContact O-N 3.38Å; F205-I208 PolarHBondContact O-N 2.95Å; F205-K209 PolarHBondContact O-N 3.34Å; F205-M391 HydrophobicContact CB-CE 4.05Å; F205-M391 HydrophobicContact CD2-CE 4.26Å |
| 206 | M | 87.8 | Confident | 89.2 | Confident | 44 Ų | 44 | 30.7 Ų | 30.7 | 22% | 0.217 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 176.4 | -73.9 | -69.5 | 102.1 | 0 | 0 | 112.7 | Y177 R202 L203 L204 I208 K209 W210 | Y177-M206 HydrophobicContact CD1-SD 4.32Å; Y177-M206 HydrophobicContact CE1-CB 4.18Å; Y177-M206 HydrophobicContact CE1-CG 3.72Å; Y177-M206 HydrophobicContact CE1-SD 3.44Å; Y177-M206 WeakPolarHBondContact CE1-SD 3.27Å; Y177-M206 WeakPolarHBondContact OH-CB 3.27Å; R202-M206 WeakPolarHBondContact O-CB 3.34Å; R202-M206 WeakPolarHBondContact O-CG 3.5Å; R202-M206 PolarHBondContact O-N 3.44Å; L203-M206 PolarHBondContact O-N 3.36Å; L204-M206 VanDerWaalsContact C-N 3.33Å; L204-M206 PolarHBondContact O-N 3.46Å; M206-I208 VanDerWaalsContact C-N 3.35Å; M206-I208 PolarHBondContact O-N 2.98Å; M206-K209 HydrophobicContact CE-CB 4.41Å; M206-K209 HydrophobicContact CE-CD 3.79Å; M206-K209 PolarHBondContact O-N 2.64Å; M206-W210 VanDerWaalsContact O-CB 3.27Å; M206-W210 WeakPolarHBondContact O-CB 3.42Å; M206-W210 PolarHBondContact O-N 3.42Å |
| 207 | S | 91.4 | Very high | 89.6 | Confident | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 172.7 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | L203 L204 F205 W210 A211 | L203-S207 PolarHBondContact O-N 2.87Å; L203-S207 PolarHBondContact O-OG 3.44Å; L204-S207 PolarHBondContact O-N 2.96Å; F205-S207 VanDerWaalsContact C-N 3.35Å; F205-S207 PolarHBondContact O-N 3.38Å; S207-W210 PolarHBondContact O-N 3.46Å; S207-A211 PolarHBondContact O-N 2.89Å |
| 208 | I | 91.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.3 | -45.1 | 176.3 | -63.9 | 169.6 | 0 | 0 | 0 | 110.8 | L204 F205 M206 W210 A211 K212 L388 M391 Y392 | L204-I208 WeakPolarHBondContact O-CG1 3.37Å; L204-I208 PolarHBondContact O-N 3.04Å; L204-I208 VanDerWaalsContact O-N 3.14Å; F205-I208 PolarHBondContact O-N 2.95Å; M206-I208 VanDerWaalsContact C-N 3.35Å; M206-I208 PolarHBondContact O-N 2.98Å; I208-W210 VanDerWaalsContact C-N 3.31Å; I208-W210 PolarHBondContact O-N 3.49Å; I208-A211 PolarHBondContact O-N 3.06Å; I208-K212 PolarHBondContact O-N 3.3Å; I208-K212 VanDerWaalsContact O-N 3.12Å; I208-L388 HydrophobicContact CD1-CD2 3.64Å; I208-L388 HydrophobicContact CG1-CD2 4.2Å; I208-M391 HydrophobicContact CD1-CB 3.6Å; I208-M391 HydrophobicContact CD1-CE 3.71Å; I208-M391 HydrophobicContact CD1-CG 4.36Å; I208-M391 HydrophobicContact CD1-SD 3.89Å; I208-Y392 HydrophobicContact CG2-CD2 3.93Å |
| 209 | K | 88.4 | Confident | 90.3 | Very high | 99 Ų | 99 | 35.9 Ų | 35.9 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 176.8 | -172.2 | 178.9 | -179.2 | 178.1 | 0 | 111.5 | F205 M206 K212 S213 | F205-K209 PolarHBondContact O-N 3.34Å; M206-K209 HydrophobicContact CE-CB 4.41Å; M206-K209 HydrophobicContact CE-CD 3.79Å; M206-K209 PolarHBondContact O-N 2.64Å; K209-K212 PolarHBondContact O-N 2.87Å; K209-S213 PolarHBondContact O-N 3.28Å |
| 210 | W | 92.5 | Very high | 90.5 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 174.3 | 172.4 | 82.1 | 0 | 0 | 0 | 110.9 | M206 S207 I208 K212 S213 V214 L236 K300 | M206-W210 VanDerWaalsContact O-CB 3.27Å; M206-W210 WeakPolarHBondContact O-CB 3.42Å; M206-W210 PolarHBondContact O-N 3.42Å; S207-W210 PolarHBondContact O-N 3.46Å; I208-W210 VanDerWaalsContact C-N 3.31Å; I208-W210 PolarHBondContact O-N 3.49Å; W210-K212 VanDerWaalsContact C-N 3.28Å; W210-K212 PolarHBondContact O-N 2.96Å; W210-S213 WeakPolarHBondContact CA-OG 3.31Å; W210-S213 WeakPolarHBondContact O-CA 3.38Å; W210-S213 WeakPolarHBondContact O-CB 3.4Å; W210-S213 PolarHBondContact O-N 3.46Å; W210-S213 PolarHBondContact O-OG 3.22Å; W210-V214 HydrophobicContact CD2-CG2 4.29Å; W210-V214 HydrophobicContact CH2-CG2 3.92Å; W210-V214 HydrophobicContact CZ2-CG2 3.69Å; W210-V214 HydrophobicContact CZ3-CG2 4.34Å; W210-V214 PolarHBondContact O-N 3.21Å; W210-L236 HydrophobicContact CZ3-CD2 4.25Å; W210-K300 HydrophobicContact CD2-CD 4.12Å; W210-K300 HydrophobicContact CE3-CB 4.31Å; W210-K300 HydrophobicContact CE3-CD 4.19Å; W210-K300 HydrophobicContact CH2-CB 3.25Å; W210-K300 HydrophobicContact CH2-CD 4.31Å; W210-K300 HydrophobicContact CH2-CG 4.41Å; W210-K300 HydrophobicContact CZ2-CB 3.7Å; W210-K300 HydrophobicContact CZ2-CD 4.2Å; W210-K300 HydrophobicContact CZ3-CB 3.6Å; W210-K300 HydrophobicContact CZ3-CD 4.3Å; W210-K300 HydrophobicContact CZ3-CG 4.49Å |
| 211 | A | 92.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -41.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | S207 I208 S213 V214 F217 L229 | S207-A211 PolarHBondContact O-N 2.89Å; I208-A211 PolarHBondContact O-N 3.06Å; A211-S213 VanDerWaalsContact C-N 3.3Å; A211-S213 PolarHBondContact O-N 2.88Å; A211-V214 PolarHBondContact O-N 3.1Å; A211-F217 HydrophobicContact CB-CD1 4.38Å; A211-F217 HydrophobicContact CB-CE1 4.34Å; A211-F217 HydrophobicContact CB-CZ 4.45Å; A211-F217 WeakPolarHBondContact O-CB 3.27Å; A211-F217 VanDerWaalsContact O-CD1 3.22Å; A211-F217 WeakPolarHBondContact O-CD1 3.44Å; A211-F217 WeakPolarHBondContact O-CG 3.22Å; A211-L229 HydrophobicContact CB-CD2 3.82Å |
| 212 | K | 89.5 | Confident | 90.7 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -32.6 | 173.9 | -69.7 | -175.5 | 71.3 | 173.9 | 0 | 113.9 | I208 K209 W210 V214 Y392 S395 D396 | I208-K212 PolarHBondContact O-N 3.3Å; I208-K212 VanDerWaalsContact O-N 3.12Å; K209-K212 PolarHBondContact O-N 2.87Å; W210-K212 VanDerWaalsContact C-N 3.28Å; W210-K212 PolarHBondContact O-N 2.96Å; K212-V214 PolarHBondContact O-N 3.25Å; K212-Y392 HydrophobicContact CD-CD2 3.94Å; K212-Y392 HydrophobicContact CD-CE1 4.35Å; K212-Y392 HydrophobicContact CD-CE2 3.67Å; K212-Y392 HydrophobicContact CD-CG 4.4Å; K212-Y392 HydrophobicContact CG-CD2 3.89Å; K212-Y392 HydrophobicContact CG-CE2 3.21Å; K212-Y392 PolarHBondContact NZ-O 3.16Å; K212-S395 WeakPolarHBondContact CD-OG 3.2Å; K212-S395 WeakPolarHBondContact CE-OG 3.33Å; K212-S395 PolarHBondContact NZ-OG 2.83Å; K212-D396 IonicContact NZ-OD1 2.6Å; K212-D396 PolarHBondContact NZ-OD1 2.95Å; K212-D396 IonicContact NZ-OD2 3.24Å; K212-D396 PolarHBondContact NZ-OD2 3.45Å |
| 213 | S | 90.3 | Very high | 90.8 | Very high | 58 Ų | 58 | 38 Ų | 38 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -73.7 | -15.8 | 178.1 | 71 | 0 | 0 | 0 | 0 | 113.3 | K209 W210 A211 P215 | K209-S213 PolarHBondContact O-N 3.28Å; W210-S213 WeakPolarHBondContact CA-OG 3.31Å; W210-S213 WeakPolarHBondContact O-CA 3.38Å; W210-S213 WeakPolarHBondContact O-CB 3.4Å; W210-S213 PolarHBondContact O-N 3.46Å; W210-S213 PolarHBondContact O-OG 3.22Å; A211-S213 VanDerWaalsContact C-N 3.3Å; A211-S213 PolarHBondContact O-N 2.88Å; S213-P215 VanDerWaalsContact O-CD 3.25Å; S213-P215 WeakPolarHBondContact O-CD 3.05Å |
| 214 | V | 91.7 | Very high | 90.7 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | trans | -76.2 | 114.5 | 176.1 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | L170 W210 A211 K212 A216 F217 S218 F305 | L170-V214 HydrophobicContact CD2-CG1 4.24Å; W210-V214 HydrophobicContact CD2-CG2 4.29Å; W210-V214 HydrophobicContact CH2-CG2 3.92Å; W210-V214 HydrophobicContact CZ2-CG2 3.69Å; W210-V214 HydrophobicContact CZ3-CG2 4.34Å; W210-V214 PolarHBondContact O-N 3.21Å; A211-V214 PolarHBondContact O-N 3.1Å; K212-V214 PolarHBondContact O-N 3.25Å; V214-A216 VanDerWaalsContact C-N 3.32Å; V214-A216 HydrophobicContact CG1-CB 4.28Å; V214-A216 PolarHBondContact O-N 2.92Å; V214-F217 HydrophobicContact CB-CB 3.97Å; V214-F217 HydrophobicContact CG1-CB 4.19Å; V214-F217 WeakPolarHBondContact O-CB 3.38Å; V214-F217 PolarHBondContact O-N 3.37Å; V214-S218 PolarHBondContact O-N 2.94Å; V214-F305 HydrophobicContact CG1-CZ 4.29Å | ||
| 215 | P | 89.8 | Confident | 90.8 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.2 | -45.9 | -176.2 | -27.3 | 36.6 | 0 | 0 | 0 | 112.5 | G169 S213 F217 S218 T219 | G169-P215 VanDerWaalsContact O-CD 3.29Å; G169-P215 WeakPolarHBondContact O-CD 3.46Å; G169-P215 WeakPolarHBondContact O-CG 3.35Å; S213-P215 VanDerWaalsContact O-CD 3.25Å; S213-P215 WeakPolarHBondContact O-CD 3.05Å; P215-F217 PolarHBondContact O-N 3.39Å; P215-S218 WeakPolarHBondContact CA-OG 3.38Å; P215-S218 PolarHBondContact O-N 3.45Å; P215-S218 VanDerWaalsContact O-N 3.11Å; P215-S218 PolarHBondContact O-OG 3.5Å; P215-T219 WeakPolarHBondContact O-CG2 3.46Å; P215-T219 PolarHBondContact O-N 2.93Å; P215-T219 VanDerWaalsContact O-N 3.13Å; P215-T219 PolarHBondContact O-OG1 3.08Å |
| 216 | A | 90.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 14% | 0.14 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -28 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L170 V214 T219 F305 L329 | L170-A216 HydrophobicContact CD2-CB 3.71Å; V214-A216 VanDerWaalsContact C-N 3.32Å; V214-A216 HydrophobicContact CG1-CB 4.28Å; V214-A216 PolarHBondContact O-N 2.92Å; A216-T219 PolarHBondContact O-OG1 3.25Å; A216-T219 VanDerWaalsContact O-OG1 3.14Å; A216-F305 HydrophobicContact CB-CZ 4.32Å; A216-L329 HydrophobicContact CB-CD1 4.2Å; A216-L329 HydrophobicContact CB-CD2 3.67Å |
| 217 | F | 92.7 | Very high | 91 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -79.2 | -44.7 | 174.5 | -177.7 | -86.7 | 0 | 0 | 0 | 110.6 | A211 V214 P215 T219 L220 Q225 L228 L229 T304 F305 Y392 | A211-F217 HydrophobicContact CB-CD1 4.38Å; A211-F217 HydrophobicContact CB-CE1 4.34Å; A211-F217 HydrophobicContact CB-CZ 4.45Å; A211-F217 WeakPolarHBondContact O-CB 3.27Å; A211-F217 VanDerWaalsContact O-CD1 3.22Å; A211-F217 WeakPolarHBondContact O-CD1 3.44Å; A211-F217 WeakPolarHBondContact O-CG 3.22Å; V214-F217 HydrophobicContact CB-CB 3.97Å; V214-F217 HydrophobicContact CG1-CB 4.19Å; V214-F217 WeakPolarHBondContact O-CB 3.38Å; V214-F217 PolarHBondContact O-N 3.37Å; P215-F217 PolarHBondContact O-N 3.39Å; F217-T219 PolarHBondContact O-N 3.46Å; F217-L220 WeakPolarHBondContact O-CB 3.32Å; F217-L220 PolarHBondContact O-N 2.92Å; F217-L220 VanDerWaalsContact O-N 3.11Å; F217-Q225 HydrophobicContact CD1-CG 4.16Å; F217-Q225 HydrophobicContact CE1-CB 3.68Å; F217-Q225 HydrophobicContact CE1-CG 3.67Å; F217-Q225 HydrophobicContact CE2-CB 4.38Å; F217-Q225 HydrophobicContact CZ-CB 3.54Å; F217-Q225 HydrophobicContact CZ-CG 3.87Å; F217-Q225 WeakPolarHBondContact CZ-O 3.27Å; F217-Q225 PolarHBondContact O-NE2 2.81Å; F217-L228 HydrophobicContact CE2-CB 4.12Å; F217-L228 HydrophobicContact CE2-CD1 4.2Å; F217-L229 HydrophobicContact CE1-CD1 4.36Å; F217-L229 HydrophobicContact CE2-CG 4.32Å; F217-L229 HydrophobicContact CZ-CD1 3.84Å; F217-L229 HydrophobicContact CZ-CD2 4.28Å; F217-L229 HydrophobicContact CZ-CG 3.74Å; F217-T304 HydrophobicContact CD2-CG2 3.89Å; F217-T304 HydrophobicContact CE2-CG2 3.84Å; F217-F305 HydrophobicContact CB-CE1 4.03Å; F217-F305 HydrophobicContact CB-CZ 3.96Å; F217-F305 AromaticContact CD2-CE1 3.88Å; F217-F305 HydrophobicContact CD2-CE1 3.88Å; F217-F305 HydrophobicContact CD2-CZ 4.43Å; F217-F305 HydrophobicContact CG-CE1 4.46Å; F217-Y392 AromaticContact CE1-CE2 3.72Å; F217-Y392 HydrophobicContact CE1-CE2 3.72Å; F217-Y392 HydrophobicContact CZ-CE2 4.4Å |
| 218 | S | 91.4 | Very high | 91.1 | Very high | 62 Ų | 62 | 35.7 Ų | 35.7 | 43% | 0.434 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.6 | -24.8 | -177.2 | 71.3 | 0 | 0 | 0 | 0 | 114.2 | V214 P215 Q225 | V214-S218 PolarHBondContact O-N 2.94Å; P215-S218 WeakPolarHBondContact CA-OG 3.38Å; P215-S218 PolarHBondContact O-N 3.45Å; P215-S218 VanDerWaalsContact O-N 3.11Å; P215-S218 PolarHBondContact O-OG 3.5Å; S218-Q225 PolarHBondContact O-NE2 2.82Å |
| 219 | T | 91.5 | Very high | 91.2 | Very high | 111 Ų | 111 | 35.6 Ų | 35.6 | 68% | 0.681 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -15.4 | 177.1 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | P215 A216 F217 | P215-T219 WeakPolarHBondContact O-CG2 3.46Å; P215-T219 PolarHBondContact O-N 2.93Å; P215-T219 VanDerWaalsContact O-N 3.13Å; P215-T219 PolarHBondContact O-OG1 3.08Å; A216-T219 PolarHBondContact O-OG1 3.25Å; A216-T219 VanDerWaalsContact O-OG1 3.14Å; F217-T219 PolarHBondContact O-N 3.46Å |
| 220 | L | 91.4 | Very high | 91.4 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -70.4 | 156.2 | 177.6 | -63.4 | 174.2 | 0 | 0 | 0 | 111.6 | F217 L222 Q225 L228 F305 I326 L329 | F217-L220 WeakPolarHBondContact O-CB 3.32Å; F217-L220 PolarHBondContact O-N 2.92Å; F217-L220 VanDerWaalsContact O-N 3.11Å; L220-L222 PolarHBondContact O-N 3.49Å; L220-Q225 HydrophobicContact CB-CG 3.94Å; L220-Q225 PolarHBondContact O-NE2 3.12Å; L220-L228 HydrophobicContact CD1-CD1 3.67Å; L220-F305 HydrophobicContact CD1-CD1 4.35Å; L220-F305 HydrophobicContact CD1-CE1 4.03Å; L220-I326 HydrophobicContact CD1-CG1 4.22Å; L220-I326 HydrophobicContact CD2-CG1 4.31Å; L220-L329 HydrophobicContact CD1-CD1 4.21Å; L220-L329 HydrophobicContact CD2-CD1 4.17Å; L220-L329 HydrophobicContact CG-CD1 4.42Å |
| 221 | P | 91.6 | Very high | 91.3 | Very high | 46 Ų | 46 | 35 Ų | 35 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | trans | -57.9 | 137.6 | 172.3 | -23.3 | 34.2 | 0 | 0 | 0 | 111.7 | P223 D224 Q225 | P221-P223 VanDerWaalsContact C-N 3.3Å; P221-P223 VanDerWaalsContact O-N 3.16Å; P221-D224 WeakPolarHBondContact O-CA 3.44Å; P221-D224 WeakPolarHBondContact O-CB 3.23Å; P221-D224 PolarHBondContact O-N 3.23Å; P221-Q225 PolarHBondContact O-N 3.35Å | ||
| 222 | L | 90.8 | Very high | 91.3 | Very high | 81 Ų | 81 | 35 Ų | 35 | 42% | 0.424 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -50.1 | -40.7 | 178.6 | -179.7 | 66.3 | 0 | 0 | 0 | 114.1 | L220 D224 Q225 L226 Y392 | L220-L222 PolarHBondContact O-N 3.49Å; L222-D224 VanDerWaalsContact C-N 3.34Å; L222-D224 PolarHBondContact O-N 3.14Å; L222-Q225 PolarHBondContact O-N 3.23Å; L222-L226 HydrophobicContact CD1-CD1 4.49Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 4.39Å; L222-L226 WeakPolarHBondContact O-CG 3.22Å; L222-L226 PolarHBondContact O-N 3.24Å; L222-L226 VanDerWaalsContact O-N 3.07Å; L222-Y392 HydrophobicContact CD1-CD1 4.01Å; L222-Y392 HydrophobicContact CD1-CE1 3.6Å |
| 223 | P | 89.5 | Confident | 91.6 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 174.8 | -24.6 | 35.6 | 0 | 0 | 0 | 113.1 | P221 L226 I227 | P221-P223 VanDerWaalsContact C-N 3.3Å; P221-P223 VanDerWaalsContact O-N 3.16Å; P223-L226 PolarHBondContact O-N 3.01Å; P223-I227 VanDerWaalsContact O-CG1 3.31Å; P223-I227 WeakPolarHBondContact O-CG1 3.25Å; P223-I227 PolarHBondContact O-N 2.65Å; P223-I227 VanDerWaalsContact O-N 3.13Å |
| 224 | D | 90.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.2 | -42.2 | 179.5 | -66.2 | -12.5 | 0 | 0 | 0 | 110.2 | P221 L222 L226 I227 L228 F320 R321 N322 I326 | P221-D224 WeakPolarHBondContact O-CA 3.44Å; P221-D224 WeakPolarHBondContact O-CB 3.23Å; P221-D224 PolarHBondContact O-N 3.23Å; L222-D224 VanDerWaalsContact C-N 3.34Å; L222-D224 PolarHBondContact O-N 3.14Å; D224-L226 VanDerWaalsContact C-N 3.32Å; D224-L226 PolarHBondContact O-N 3.28Å; D224-I227 PolarHBondContact O-N 2.84Å; D224-L228 WeakPolarHBondContact O-CB 3.38Å; D224-L228 WeakPolarHBondContact O-CG 3.3Å; D224-L228 PolarHBondContact O-N 3.48Å; D224-F320 HydrophobicContact CB-CD1 4.23Å; D224-R321 PolarHBondContact OD1-N 2.94Å; D224-R321 PolarHBondContact OD2-N 3.09Å; D224-N322 PolarHBondContact OD2-N 2.62Å; D224-I326 HydrophobicContact CB-CD1 4.32Å |
| 225 | Q | 92.7 | Very high | 92 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.5 | -45.6 | 175 | -68.8 | 174.3 | -5.4 | 0 | 0 | 112.3 | F217 S218 L220 P221 L222 L228 L229 Y392 | F217-Q225 HydrophobicContact CD1-CG 4.16Å; F217-Q225 HydrophobicContact CE1-CB 3.68Å; F217-Q225 HydrophobicContact CE1-CG 3.67Å; F217-Q225 HydrophobicContact CE2-CB 4.38Å; F217-Q225 HydrophobicContact CZ-CB 3.54Å; F217-Q225 HydrophobicContact CZ-CG 3.87Å; F217-Q225 WeakPolarHBondContact CZ-O 3.27Å; F217-Q225 PolarHBondContact O-NE2 2.81Å; S218-Q225 PolarHBondContact O-NE2 2.82Å; L220-Q225 HydrophobicContact CB-CG 3.94Å; L220-Q225 PolarHBondContact O-NE2 3.12Å; P221-Q225 PolarHBondContact O-N 3.35Å; L222-Q225 PolarHBondContact O-N 3.23Å; Q225-L228 PolarHBondContact O-N 2.71Å; Q225-L229 WeakPolarHBondContact O-CG 3.18Å; Q225-L229 PolarHBondContact O-N 3.48Å; Q225-Y392 PolarHBondContact OE1-OH 3.03Å |
| 226 | L | 91.3 | Very high | 92.3 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.3 | -41.6 | 180 | -67.9 | 179.4 | 0 | 0 | 0 | 111.9 | L222 P223 D224 L229 E230 Y392 | L222-L226 HydrophobicContact CD1-CD1 4.49Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 4.39Å; L222-L226 WeakPolarHBondContact O-CG 3.22Å; L222-L226 PolarHBondContact O-N 3.24Å; L222-L226 VanDerWaalsContact O-N 3.07Å; P223-L226 PolarHBondContact O-N 3.01Å; D224-L226 VanDerWaalsContact C-N 3.32Å; D224-L226 PolarHBondContact O-N 3.28Å; L226-L229 PolarHBondContact O-N 3.1Å; L226-E230 WeakPolarHBondContact O-CB 3.29Å; L226-E230 WeakPolarHBondContact O-CG 3.23Å; L226-E230 PolarHBondContact O-N 2.67Å; L226-Y392 HydrophobicContact CD2-CD1 4.11Å; L226-Y392 HydrophobicContact CD2-CG 4.04Å |
| 227 | I | 90.9 | Very high | 92.6 | Very high | 29 Ų | 29 | 30.1 Ų | 30.1 | 15% | 0.149 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -46.8 | 175.9 | -66.2 | 166.5 | 0 | 0 | 0 | 110.3 | P223 D224 L229 E230 D231 F320 | P223-I227 VanDerWaalsContact O-CG1 3.31Å; P223-I227 WeakPolarHBondContact O-CG1 3.25Å; P223-I227 PolarHBondContact O-N 2.65Å; P223-I227 VanDerWaalsContact O-N 3.13Å; D224-I227 PolarHBondContact O-N 2.84Å; I227-L229 VanDerWaalsContact C-N 3.28Å; I227-L229 PolarHBondContact O-N 3.36Å; I227-E230 PolarHBondContact O-N 2.93Å; I227-D231 PolarHBondContact O-N 3.24Å; I227-F320 HydrophobicContact CB-CE1 3.92Å; I227-F320 HydrophobicContact CG2-CD1 4.37Å; I227-F320 HydrophobicContact CG2-CE1 3.46Å; I227-F320 VanDerWaalsContact CG2-CE1 3.46Å; I227-F320 HydrophobicContact CG2-CZ 3.69Å |
| 228 | L | 93 | Very high | 92.7 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.7 | -40.8 | 178.1 | -68.4 | 169.4 | 0 | 0 | 0 | 111.6 | F217 L220 D224 Q225 D231 A232 T304 F305 F320 I326 | F217-L228 HydrophobicContact CE2-CB 4.12Å; F217-L228 HydrophobicContact CE2-CD1 4.2Å; L220-L228 HydrophobicContact CD1-CD1 3.67Å; D224-L228 WeakPolarHBondContact O-CB 3.38Å; D224-L228 WeakPolarHBondContact O-CG 3.3Å; D224-L228 PolarHBondContact O-N 3.48Å; Q225-L228 PolarHBondContact O-N 2.71Å; L228-D231 PolarHBondContact O-N 3Å; L228-A232 WeakPolarHBondContact O-CB 3.17Å; L228-A232 PolarHBondContact O-N 2.88Å; L228-T304 HydrophobicContact CB-CG2 4.48Å; L228-T304 VanDerWaalsContact CD2-O 3.24Å; L228-T304 WeakPolarHBondContact CD2-O 3.49Å; L228-F305 HydrophobicContact CD1-CD1 4.38Å; L228-F320 HydrophobicContact CD2-CE1 3.7Å; L228-F320 HydrophobicContact CD2-CZ 3.84Å; L228-F320 HydrophobicContact CG-CE1 3.9Å; L228-F320 HydrophobicContact CG-CZ 4.5Å; L228-I326 HydrophobicContact CD1-CD1 4.14Å; L228-I326 HydrophobicContact CD1-CG1 4.33Å; L228-I326 HydrophobicContact CD2-CD1 4.32Å; L228-I326 HydrophobicContact CD2-CG2 3.86Å |
| 229 | L | 93.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.7 | -43.6 | 175.5 | -73.1 | 170.9 | 0 | 0 | 0 | 112.4 | A211 F217 Q225 L226 I227 D231 A232 W233 L236 Y392 | A211-L229 HydrophobicContact CB-CD2 3.82Å; F217-L229 HydrophobicContact CE1-CD1 4.36Å; F217-L229 HydrophobicContact CE2-CG 4.32Å; F217-L229 HydrophobicContact CZ-CD1 3.84Å; F217-L229 HydrophobicContact CZ-CD2 4.28Å; F217-L229 HydrophobicContact CZ-CG 3.74Å; Q225-L229 WeakPolarHBondContact O-CG 3.18Å; Q225-L229 PolarHBondContact O-N 3.48Å; L226-L229 PolarHBondContact O-N 3.1Å; I227-L229 VanDerWaalsContact C-N 3.28Å; I227-L229 PolarHBondContact O-N 3.36Å; L229-D231 PolarHBondContact O-N 2.94Å; L229-A232 PolarHBondContact O-N 3.05Å; L229-W233 VanDerWaalsContact O-CB 3.28Å; L229-W233 WeakPolarHBondContact O-CB 3.14Å; L229-W233 PolarHBondContact O-N 2.84Å; L229-L236 HydrophobicContact CD2-CD1 4.41Å; L229-Y392 HydrophobicContact CD1-CD2 3.26Å; L229-Y392 HydrophobicContact CD1-CE2 3.6Å; L229-Y392 HydrophobicContact CD1-CG 4.22Å |
| 230 | E | 91.7 | Very high | 93 | Very high | 46 Ų | 46 | 21.9 Ų | 21.9 | 22% | 0.215 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59 | -34.3 | 175.2 | -79.2 | -177 | -158.7 | 0 | 0 | 112.7 | L226 I227 R318 L388 | L226-E230 WeakPolarHBondContact O-CB 3.29Å; L226-E230 WeakPolarHBondContact O-CG 3.23Å; L226-E230 PolarHBondContact O-N 2.67Å; I227-E230 PolarHBondContact O-N 2.93Å; E230-R318 IonicContact OE2-CZ 2.83Å; E230-R318 IonicContact OE2-NH1 2.81Å; E230-R318 IonicContact OE2-NH2 3.6Å; E230-R318 PolarHBondContact OE2-NH2 3.36Å; E230-L388 HydrophobicContact CB-CD1 4.42Å; E230-L388 HydrophobicContact CG-CD1 4.04Å |
| 231 | D | 90.5 | Very high | 93.1 | Very high | 57 Ų | 57 | 21.1 Ų | 21.1 | 31% | 0.305 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -85.3 | -31.4 | 179.9 | -72.1 | -13.7 | 0 | 0 | 0 | 112.5 | I227 L228 L229 R318 | I227-D231 PolarHBondContact O-N 3.24Å; L228-D231 PolarHBondContact O-N 3Å; L229-D231 PolarHBondContact O-N 2.94Å; D231-R318 IonicContact OD1-NH1 3.55Å |
| 232 | A | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -97.7 | -14.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | L228 L229 R234 E235 L236 V303 | L228-A232 WeakPolarHBondContact O-CB 3.17Å; L228-A232 PolarHBondContact O-N 2.88Å; L229-A232 PolarHBondContact O-N 3.05Å; A232-R234 VanDerWaalsContact C-N 3.27Å; A232-R234 PolarHBondContact O-N 3.11Å; A232-R234 VanDerWaalsContact O-N 3.11Å; A232-E235 PolarHBondContact O-N 2.92Å; A232-L236 HydrophobicContact CB-CD1 4.11Å; A232-L236 HydrophobicContact CB-CG 4.3Å; A232-L236 WeakPolarHBondContact O-CG 3.47Å; A232-L236 PolarHBondContact O-N 3.33Å; A232-V303 WeakPolarHBondContact CB-O 3.26Å |
| 233 | W | 94.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 17.8 Ų | 17.8 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.6 | -38.6 | -168.1 | 74.4 | -91.7 | 0 | 0 | 0 | 113.6 | L204 L229 F237 P367 I370 E371 I384 L388 | L204-W233 HydrophobicContact CD1-CE3 4.33Å; L229-W233 VanDerWaalsContact O-CB 3.28Å; L229-W233 WeakPolarHBondContact O-CB 3.14Å; L229-W233 PolarHBondContact O-N 2.84Å; W233-F237 WeakPolarHBondContact O-CB 3.48Å; W233-F237 PolarHBondContact O-N 2.92Å; W233-P367 HydrophobicContact CH2-CB 4.32Å; W233-P367 HydrophobicContact CZ2-CB 3.74Å; W233-I370 HydrophobicContact CH2-CB 4.32Å; W233-I370 HydrophobicContact CH2-CG2 4.07Å; W233-I370 HydrophobicContact CZ3-CB 4.45Å; W233-I370 HydrophobicContact CZ3-CG2 3.78Å; W233-E371 HydrophobicContact CH2-CG 4.12Å; W233-I384 HydrophobicContact CD2-CB 4.37Å; W233-I384 HydrophobicContact CD2-CG2 3.79Å; W233-I384 HydrophobicContact CE3-CB 4.39Å; W233-I384 HydrophobicContact CE3-CG2 3.83Å; W233-I384 HydrophobicContact CG-CG2 4.28Å; W233-I384 HydrophobicContact CH2-CB 3.97Å; W233-I384 HydrophobicContact CH2-CG1 4Å; W233-I384 HydrophobicContact CH2-CG2 4.32Å; W233-I384 HydrophobicContact CZ2-CB 3.92Å; W233-I384 HydrophobicContact CZ2-CG1 4.44Å; W233-I384 HydrophobicContact CZ2-CG2 4.27Å; W233-I384 HydrophobicContact CZ3-CB 4.21Å; W233-I384 HydrophobicContact CZ3-CG1 4.13Å; W233-I384 HydrophobicContact CZ3-CG2 4.12Å; W233-L388 HydrophobicContact CB-CD1 3.96Å; W233-L388 HydrophobicContact CB-CD2 4.25Å; W233-L388 HydrophobicContact CG-CD1 4.01Å |
| 234 | R | 95.1 | Very high | 93.1 | Very high | 65 Ų | 65 | 19 Ų | 19 | 25% | 0.245 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.7 | -42.4 | -179.8 | 76.6 | -176.4 | 175.4 | -131.4 | -10.9 | 111.4 | A232 F237 V238 I370 | A232-R234 VanDerWaalsContact C-N 3.27Å; A232-R234 PolarHBondContact O-N 3.11Å; A232-R234 VanDerWaalsContact O-N 3.11Å; R234-F237 PolarHBondContact O-N 3.24Å; R234-V238 WeakPolarHBondContact O-CG2 3.3Å; R234-V238 PolarHBondContact O-N 3.31Å; R234-I370 HydrophobicContact CB-CD1 4.04Å |
| 235 | E | 95.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72.7 | -38.8 | -177.6 | -64.5 | 179.9 | -130.6 | 0 | 0 | 109.8 | A232 F237 V238 L239 V303 K306 L362 R363 | A232-E235 PolarHBondContact O-N 2.92Å; E235-F237 VanDerWaalsContact C-N 3.32Å; E235-F237 PolarHBondContact O-N 3.34Å; E235-V238 PolarHBondContact O-N 2.94Å; E235-L239 WeakPolarHBondContact O-CB 3.42Å; E235-L239 WeakPolarHBondContact O-CG 3.48Å; E235-L239 PolarHBondContact O-N 2.95Å; E235-V303 HydrophobicContact CB-CB 4.16Å; E235-V303 HydrophobicContact CB-CG1 4.4Å; E235-V303 HydrophobicContact CB-CG2 4.26Å; E235-K306 IonicContact OE1-NZ 3.63Å; E235-K306 PolarHBondContact OE1-NZ 3.14Å; E235-K306 IonicContact OE2-NZ 2.87Å; E235-K306 PolarHBondContact OE2-NZ 2.99Å; E235-L362 HydrophobicContact CB-CB 4.16Å; E235-L362 HydrophobicContact CB-CD1 4.25Å; E235-L362 HydrophobicContact CG-CB 3.94Å; E235-R363 HydrophobicContact CG-CG 4.15Å; E235-R363 IonicContact OE1-CZ 3.34Å; E235-R363 IonicContact OE1-NE 2.84Å; E235-R363 PolarHBondContact OE1-NE 3.08Å; E235-R363 IonicContact OE1-NH2 3.93Å; E235-R363 IonicContact OE2-NE 3.76Å |
| 236 | L | 95.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -39.5 | 170.5 | -72.1 | 175.1 | 0 | 0 | 0 | 112.4 | W210 L229 A232 G240 K300 V303 | W210-L236 HydrophobicContact CZ3-CD2 4.25Å; L229-L236 HydrophobicContact CD2-CD1 4.41Å; A232-L236 HydrophobicContact CB-CD1 4.11Å; A232-L236 HydrophobicContact CB-CG 4.3Å; A232-L236 WeakPolarHBondContact O-CG 3.47Å; A232-L236 PolarHBondContact O-N 3.33Å; L236-G240 PolarHBondContact O-N 3.5Å; L236-K300 HydrophobicContact CD2-CB 3.74Å; L236-K300 HydrophobicContact CD2-CD 4.43Å; L236-K300 HydrophobicContact CD2-CG 3.77Å; L236-V303 HydrophobicContact CD2-CG2 3.84Å; L236-V303 HydrophobicContact CG-CG2 4.22Å |
| 237 | F | 95.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.5 | -46.3 | 177.8 | -177.2 | -105.4 | 0 | 0 | 0 | 111.6 | A200 L203 L204 W233 R234 E235 G240 I241 I370 F374 F375 | A200-F237 HydrophobicContact CB-CE2 3.96Å; A200-F237 HydrophobicContact CB-CZ 3.72Å; A200-F237 WeakPolarHBondContact O-CE2 3.37Å; L203-F237 HydrophobicContact CB-CE2 4.36Å; L203-F237 HydrophobicContact CD2-CD2 3.97Å; L203-F237 HydrophobicContact CD2-CE2 3.9Å; L203-F237 HydrophobicContact CG-CD2 4.31Å; L203-F237 HydrophobicContact CG-CE2 4.37Å; L204-F237 HydrophobicContact CB-CD2 4.37Å; W233-F237 WeakPolarHBondContact O-CB 3.48Å; W233-F237 PolarHBondContact O-N 2.92Å; R234-F237 PolarHBondContact O-N 3.24Å; E235-F237 VanDerWaalsContact C-N 3.32Å; E235-F237 PolarHBondContact O-N 3.34Å; F237-G240 CarbonylContact O-C 3.48Å; F237-G240 WeakPolarHBondContact O-CA 3.35Å; F237-G240 PolarHBondContact O-N 3.33Å; F237-G240 VanDerWaalsContact O-N 3.1Å; F237-I241 HydrophobicContact CD1-CD1 3.9Å; F237-I241 HydrophobicContact CE1-CD1 3.39Å; F237-I241 HydrophobicContact CE1-CG1 4.18Å; F237-I241 HydrophobicContact CZ-CD1 3.86Å; F237-I241 HydrophobicContact CZ-CG1 4.28Å; F237-I241 PolarHBondContact O-N 3.16Å; F237-I370 HydrophobicContact CD1-CD1 4.32Å; F237-I370 HydrophobicContact CD1-CG2 3.62Å; F237-I370 HydrophobicContact CE1-CG2 3.55Å; F237-I370 HydrophobicContact CZ-CG2 4.46Å; F237-F374 AromaticContact CE1-CD2 3.93Å; F237-F374 HydrophobicContact CE1-CD2 3.93Å; F237-F374 HydrophobicContact CE1-CE2 4.24Å; F237-F374 HydrophobicContact CE1-CG 4.12Å; F237-F374 HydrophobicContact CZ-CB 4.26Å; F237-F374 HydrophobicContact CZ-CD1 4.25Å; F237-F374 HydrophobicContact CZ-CD2 4.3Å; F237-F374 HydrophobicContact CZ-CG 4.01Å; F237-F375 HydrophobicContact CD2-CE2 4.49Å; F237-F375 HydrophobicContact CD2-CZ 4.1Å; F237-F375 HydrophobicContact CE1-CE2 4.12Å; F237-F375 HydrophobicContact CE1-CZ 4.49Å; F237-F375 AromaticContact CE2-CE2 3.97Å; F237-F375 HydrophobicContact CE2-CE2 3.97Å; F237-F375 AromaticContact CE2-CZ 3.52Å; F237-F375 HydrophobicContact CE2-CZ 3.52Å; F237-F375 AromaticContact CZ-CE2 3.76Å; F237-F375 HydrophobicContact CZ-CE2 3.76Å; F237-F375 AromaticContact CZ-CZ 3.75Å; F237-F375 HydrophobicContact CZ-CZ 3.75Å |
| 238 | V | 95.6 | Very high | 91 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | R234 E235 G240 I241 A242 L279 V282 L362 I370 | R234-V238 WeakPolarHBondContact O-CG2 3.3Å; R234-V238 PolarHBondContact O-N 3.31Å; E235-V238 PolarHBondContact O-N 2.94Å; V238-G240 PolarHBondContact O-N 3.38Å; V238-I241 PolarHBondContact O-N 3.49Å; V238-A242 PolarHBondContact O-N 3.15Å; V238-L279 HydrophobicContact CB-CD1 4.41Å; V238-L279 HydrophobicContact CG1-CD1 3.79Å; V238-L279 HydrophobicContact CG2-CD1 3.92Å; V238-V282 HydrophobicContact CG1-CG1 3.93Å; V238-L362 HydrophobicContact CB-CD2 4.05Å; V238-L362 HydrophobicContact CG1-CD2 3.57Å; V238-I370 HydrophobicContact CG2-CD1 4.22Å |
| 239 | L | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.1 | -38.9 | 171.5 | -78.3 | 174 | 0 | 0 | 0 | 111.5 | E235 A242 Q243 F286 F296 L299 K300 V303 L362 | E235-L239 WeakPolarHBondContact O-CB 3.42Å; E235-L239 WeakPolarHBondContact O-CG 3.48Å; E235-L239 PolarHBondContact O-N 2.95Å; L239-A242 PolarHBondContact O-N 3.32Å; L239-Q243 WeakPolarHBondContact O-CB 3.37Å; L239-Q243 PolarHBondContact O-N 2.83Å; L239-F286 HydrophobicContact CD2-CD1 4.48Å; L239-F286 HydrophobicContact CD2-CE1 3.79Å; L239-F286 HydrophobicContact CD2-CE2 4.25Å; L239-F286 HydrophobicContact CD2-CZ 3.66Å; L239-F296 HydrophobicContact CD2-CD1 4.5Å; L239-L299 HydrophobicContact CD1-CB 4.26Å; L239-K300 HydrophobicContact CD1-CG 4.03Å; L239-V303 HydrophobicContact CD1-CG1 4.32Å; L239-V303 HydrophobicContact CD1-CG2 3.88Å; L239-L362 HydrophobicContact CD1-CD1 4.01Å; L239-L362 HydrophobicContact CD2-CD1 4.01Å; L239-L362 HydrophobicContact CD2-CD2 4.01Å; L239-L362 HydrophobicContact CG-CD1 3.77Å; L239-L362 HydrophobicContact CG-CD2 3.98Å |
| 240 | G | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L203 L236 F237 V238 A242 Q243 W244 | L203-G240 VanDerWaalsContact CD2-C 3.4Å; L236-G240 PolarHBondContact O-N 3.5Å; F237-G240 CarbonylContact O-C 3.48Å; F237-G240 WeakPolarHBondContact O-CA 3.35Å; F237-G240 PolarHBondContact O-N 3.33Å; F237-G240 VanDerWaalsContact O-N 3.1Å; V238-G240 PolarHBondContact O-N 3.38Å; G240-A242 VanDerWaalsContact C-N 3.28Å; G240-A242 PolarHBondContact O-N 2.99Å; G240-Q243 PolarHBondContact O-N 3.41Å; G240-W244 WeakPolarHBondContact O-CB 3.45Å; G240-W244 VanDerWaalsContact O-CD1 3.23Å; G240-W244 PolarHBondContact O-N 3.49Å |
| 241 | I | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.8 | -43.6 | 175.2 | -73.8 | 175.4 | 0 | 0 | 0 | 110.3 | L203 F237 V238 A245 I246 V248 L279 V283 F374 | L203-I241 HydrophobicContact CD2-CG1 3.86Å; F237-I241 HydrophobicContact CD1-CD1 3.9Å; F237-I241 HydrophobicContact CE1-CD1 3.39Å; F237-I241 HydrophobicContact CE1-CG1 4.18Å; F237-I241 HydrophobicContact CZ-CD1 3.86Å; F237-I241 HydrophobicContact CZ-CG1 4.28Å; F237-I241 PolarHBondContact O-N 3.16Å; V238-I241 PolarHBondContact O-N 3.49Å; I241-A245 WeakPolarHBondContact O-CA 3.05Å; I241-A245 PolarHBondContact O-N 2.96Å; I241-I246 HydrophobicContact CG1-CB 4.37Å; I241-I246 HydrophobicContact CG1-CD1 4.19Å; I241-I246 HydrophobicContact CG2-CB 4.24Å; I241-I246 PolarHBondContact O-N 3.24Å; I241-V248 HydrophobicContact CG2-CG1 3.44Å; I241-V248 VanDerWaalsContact CG2-CG1 3.44Å; I241-L279 HydrophobicContact CD1-CD2 4.31Å; I241-V283 HydrophobicContact CG2-CG2 3.61Å; I241-F374 HydrophobicContact CD1-CE1 4.27Å; I241-F374 HydrophobicContact CD1-CE2 4.29Å; I241-F374 HydrophobicContact CD1-CZ 3.88Å |
| 242 | A | 92.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -44.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V238 L239 G240 V283 F286 F296 | V238-A242 PolarHBondContact O-N 3.15Å; L239-A242 PolarHBondContact O-N 3.32Å; G240-A242 VanDerWaalsContact C-N 3.28Å; G240-A242 PolarHBondContact O-N 2.99Å; A242-V283 HydrophobicContact CB-CG2 4.45Å; A242-F286 HydrophobicContact CB-CB 3.83Å; A242-F286 HydrophobicContact CB-CD2 4.32Å; A242-F286 HydrophobicContact CB-CG 4.15Å; A242-F296 HydrophobicContact CB-CE1 4.4Å |
| 243 | Q | 92.6 | Very high | 88.2 | Confident | 49 Ų | 49 | 29.5 Ų | 29.5 | 23% | 0.229 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | -179.7 | -176 | 176.8 | 6.2 | 0 | 0 | 112.7 | L239 G240 A245 F296 K300 | L239-Q243 WeakPolarHBondContact O-CB 3.37Å; L239-Q243 PolarHBondContact O-N 2.83Å; G240-Q243 PolarHBondContact O-N 3.41Å; Q243-A245 VanDerWaalsContact C-N 3.35Å; Q243-F296 HydrophobicContact CB-CD1 3.93Å; Q243-F296 HydrophobicContact CB-CD2 4.18Å; Q243-F296 HydrophobicContact CB-CE1 3.76Å; Q243-F296 HydrophobicContact CB-CE2 4.02Å; Q243-F296 HydrophobicContact CB-CG 4.15Å; Q243-F296 HydrophobicContact CB-CZ 3.81Å; Q243-F296 HydrophobicContact CG-CD1 4.33Å; Q243-F296 HydrophobicContact CG-CD2 3.84Å; Q243-F296 HydrophobicContact CG-CE1 4.47Å; Q243-F296 HydrophobicContact CG-CE2 3.98Å; Q243-F296 HydrophobicContact CG-CG 4.03Å; Q243-F296 HydrophobicContact CG-CZ 4.3Å; Q243-K300 VanDerWaalsContact OE1-CE 3.3Å |
| 244 | W | 87.9 | Confident | 87.5 | Confident | 81 Ų | 81 | 30.7 Ų | 30.7 | 31% | 0.307 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -94.8 | 6.7 | -174.4 | -63.4 | 103.9 | 0 | 0 | 0 | 113.7 | Y177 L203 G240 I246 | Y177-W244 HydrophobicContact CD1-CH2 4.13Å; Y177-W244 HydrophobicContact CD1-CZ2 4.22Å; Y177-W244 AromaticContact CD2-CH2 3.36Å; Y177-W244 HydrophobicContact CD2-CH2 3.36Å; Y177-W244 AromaticContact CD2-CZ2 3.5Å; Y177-W244 HydrophobicContact CD2-CZ2 3.5Å; Y177-W244 VanDerWaalsContact CD2-CZ2 3.5Å; Y177-W244 HydrophobicContact CE1-CH2 4.42Å; Y177-W244 HydrophobicContact CE1-CZ2 4.04Å; Y177-W244 AromaticContact CE2-CH2 3.75Å; Y177-W244 HydrophobicContact CE2-CH2 3.75Å; Y177-W244 AromaticContact CE2-CZ2 3.33Å; Y177-W244 HydrophobicContact CE2-CZ2 3.33Å; Y177-W244 AromaticContact CG-CH2 3.58Å; Y177-W244 HydrophobicContact CG-CH2 3.58Å; Y177-W244 AromaticContact CG-CZ2 3.96Å; Y177-W244 HydrophobicContact CG-CZ2 3.96Å; Y177-W244 HydrophobicContact CG-CZ3 4.39Å; Y177-W244 AromaticContact CZ-CZ2 3.61Å; L203-W244 HydrophobicContact CD1-CG 4.3Å; G240-W244 WeakPolarHBondContact O-CB 3.45Å; G240-W244 VanDerWaalsContact O-CD1 3.23Å; G240-W244 PolarHBondContact O-N 3.49Å; W244-I246 VanDerWaalsContact C-N 3.25Å; W244-I246 HydrophobicContact CB-CG1 4.49Å; W244-I246 PolarHBondContact O-N 3.45Å |
| 245 | A | 82.4 | Confident | 86.6 | Confident | 57 Ų | 57 | 31 Ų | 31 | 47% | 0.471 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | I241 Q243 | I241-A245 WeakPolarHBondContact O-CA 3.05Å; I241-A245 PolarHBondContact O-N 2.96Å; Q243-A245 VanDerWaalsContact C-N 3.35Å |
| 246 | I | 79.7 | Confident | 85.6 | Confident | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | trans | -57.8 | 135 | 175.9 | -61.6 | -175 | 0 | 0 | 0 | 108.9 | V196 L203 I241 W244 V248 R287 | V196-I246 HydrophobicContact CG1-CG2 4.12Å; L203-I246 HydrophobicContact CB-CD1 4.2Å; L203-I246 HydrophobicContact CD2-CD1 3.56Å; L203-I246 HydrophobicContact CG-CD1 4.43Å; I241-I246 HydrophobicContact CG1-CB 4.37Å; I241-I246 HydrophobicContact CG1-CD1 4.19Å; I241-I246 HydrophobicContact CG2-CB 4.24Å; I241-I246 PolarHBondContact O-N 3.24Å; W244-I246 VanDerWaalsContact C-N 3.25Å; W244-I246 HydrophobicContact CB-CG1 4.49Å; W244-I246 PolarHBondContact O-N 3.45Å; I246-V248 PolarHBondContact O-N 2.91Å; I246-R287 PolarHBondContact O-NH2 3.07Å | ||
| 247 | P | 77.9 | Confident | 84.5 | Confident | 49 Ų | 49 | 33.2 Ų | 33.2 | 32% | 0.318 | 20% | 0.198 | S | C | . | . | trans | -58.5 | 125.6 | 173.8 | -24.2 | 34.3 | 0 | 0 | 0 | 110.8 | V191 | V191-P247 HydrophobicContact CG1-CG 4.41Š| ||
| 248 | V | 81.1 | Confident | 83.2 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | trans | -122.4 | 12.3 | -177.7 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | I241 I246 L253 L279 Q280 V283 | I241-V248 HydrophobicContact CG2-CG1 3.44Å; I241-V248 VanDerWaalsContact CG2-CG1 3.44Å; I246-V248 PolarHBondContact O-N 2.91Å; V248-L253 HydrophobicContact CB-CD1 4.31Å; V248-L253 WeakPolarHBondContact O-CD1 3.1Å; V248-L279 HydrophobicContact CG1-CD2 4.12Å; V248-L279 HydrophobicContact CG1-CG 4.34Å; V248-Q280 HydrophobicContact CB-CG 4.19Å; V248-Q280 HydrophobicContact CG2-CG 3.91Å; V248-Q280 WeakPolarHBondContact O-CG 3.38Å; V248-Q280 PolarHBondContact O-NE2 2.78Å; V248-V283 HydrophobicContact CG2-CB 4.45Å; V248-V283 HydrophobicContact CG2-CG1 4.26Å | ||
| 249 | D | 82.4 | Confident | 81.8 | Confident | 66 Ų | 66 | 37 Ų | 37 | 35% | 0.353 | 23% | 0.227 | S | C | . | . | trans | -63 | 139.5 | -179.3 | 65.1 | -79.8 | 0 | 0 | 0 | 111.3 | N251 T252 L253 | D249-N251 PolarHBondContact O-N 3.24Å; D249-T252 PolarHBondContact O-N 2.89Å; D249-T252 VanDerWaalsContact OD1-CB 3.24Å; D249-T252 WeakPolarHBondContact OD1-CB 3.34Å; D249-T252 PolarHBondContact OD1-OG1 3.21Å; D249-T252 VanDerWaalsContact OD1-OG1 3.06Å; D249-T252 WeakPolarHBondContact OD2-CA 3.38Å; D249-T252 WeakPolarHBondContact OD2-CB 3.24Å; D249-T252 PolarHBondContact OD2-N 2.85Å; D249-T252 PolarHBondContact OD2-OG1 3.43Å; D249-L253 WeakPolarHBondContact O-CG 3.47Å; D249-L253 PolarHBondContact O-N 3.3Å | ||
| 250 | S | 79.6 | Confident | 80.1 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -37 | -168.1 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | L253 L254 Q280 | S250-L253 PolarHBondContact O-N 3.34Å; S250-L254 VanDerWaalsContact O-CB 3.3Å; S250-L254 WeakPolarHBondContact O-CB 3.43Å; S250-L254 WeakPolarHBondContact O-CD1 3.2Å; S250-L254 WeakPolarHBondContact O-CG 3.49Å; S250-L254 PolarHBondContact O-N 2.74Å; S250-Q280 PolarHBondContact OG-NE2 3.48Å |
| 251 | N | 78.3 | Confident | 78.3 | Confident | 132 Ų | 132 | 49 Ų | 49 | 71% | 0.706 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67 | -45.6 | -178.9 | -65 | -11.6 | 0 | 0 | 0 | 111.2 | D249 A255 | D249-N251 PolarHBondContact O-N 3.24Å; N251-A255 VanDerWaalsContact O-CB 3.23Å; N251-A255 WeakPolarHBondContact O-CB 3.47Å; N251-A255 PolarHBondContact O-N 3.37Å |
| 252 | T | 81.4 | Confident | 76.5 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 175.6 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | V196 D249 L254 A255 V256 | V196-T252 HydrophobicContact CG2-CG2 3.95Å; D249-T252 PolarHBondContact O-N 2.89Å; D249-T252 VanDerWaalsContact OD1-CB 3.24Å; D249-T252 WeakPolarHBondContact OD1-CB 3.34Å; D249-T252 PolarHBondContact OD1-OG1 3.21Å; D249-T252 VanDerWaalsContact OD1-OG1 3.06Å; D249-T252 WeakPolarHBondContact OD2-CA 3.38Å; D249-T252 WeakPolarHBondContact OD2-CB 3.24Å; D249-T252 PolarHBondContact OD2-N 2.85Å; D249-T252 PolarHBondContact OD2-OG1 3.43Å; T252-L254 PolarHBondContact O-N 3.13Å; T252-A255 PolarHBondContact O-N 3.04Å; T252-V256 HydrophobicContact CG2-CG2 4.07Å; T252-V256 VanDerWaalsContact O-CB 3.26Å; T252-V256 WeakPolarHBondContact O-CB 3.28Å; T252-V256 WeakPolarHBondContact O-CG2 3.48Å; T252-V256 PolarHBondContact O-N 3.33Å |
| 253 | L | 81.4 | Confident | 74.6 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.4 | -40.6 | -179 | -70 | -176.8 | 0 | 0 | 0 | 112.7 | V196 V248 D249 S250 S257 I276 V373 F374 | V196-L253 HydrophobicContact CG1-CD2 3.81Å; V248-L253 HydrophobicContact CB-CD1 4.31Å; V248-L253 WeakPolarHBondContact O-CD1 3.1Å; D249-L253 WeakPolarHBondContact O-CG 3.47Å; D249-L253 PolarHBondContact O-N 3.3Å; S250-L253 PolarHBondContact O-N 3.34Å; L253-S257 VanDerWaalsContact O-CB 3.32Å; L253-S257 WeakPolarHBondContact O-CB 3.42Å; L253-S257 PolarHBondContact O-N 3.29Å; L253-S257 PolarHBondContact O-OG 3.43Å; L253-I276 HydrophobicContact CB-CD1 4.36Å; L253-I276 HydrophobicContact CD1-CG1 4.37Å; L253-I276 HydrophobicContact CD1-CG2 3.86Å; L253-V373 HydrophobicContact CB-CG1 3.87Å; L253-V373 HydrophobicContact CD1-CG1 4.16Å; L253-V373 HydrophobicContact CD2-CG1 4.03Å; L253-V373 HydrophobicContact CG-CG1 4.24Å; L253-F374 HydrophobicContact CD1-CZ 3.93Å; L253-F374 HydrophobicContact CD2-CD1 4.34Å; L253-F374 HydrophobicContact CD2-CE1 3.56Å; L253-F374 HydrophobicContact CD2-CZ 3.78Å |
| 254 | L | 80.5 | Confident | 72.8 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 19% | 0.188 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 176.3 | -68.4 | 170.4 | 0 | 0 | 0 | 112.2 | S250 T252 S257 G258 M259 I273 I276 | S250-L254 VanDerWaalsContact O-CB 3.3Å; S250-L254 WeakPolarHBondContact O-CB 3.43Å; S250-L254 WeakPolarHBondContact O-CD1 3.2Å; S250-L254 WeakPolarHBondContact O-CG 3.49Å; S250-L254 PolarHBondContact O-N 2.74Å; T252-L254 PolarHBondContact O-N 3.13Å; L254-S257 WeakPolarHBondContact CA-OG 3.17Å; L254-S257 PolarHBondContact O-N 2.93Å; L254-S257 PolarHBondContact O-OG 3.26Å; L254-G258 PolarHBondContact O-N 2.92Å; L254-G258 VanDerWaalsContact O-N 3.08Å; L254-M259 HydrophobicContact CD2-CB 4.39Å; L254-M259 PolarHBondContact O-N 3.47Å; L254-I273 HydrophobicContact CD1-CD1 4.37Å; L254-I273 HydrophobicContact CD1-CG1 4.13Å; L254-I273 HydrophobicContact CD2-CG1 4.27Å; L254-I276 HydrophobicContact CD2-CD1 4.31Å |
| 255 | A | 76.9 | Confident | 71.4 | Confident | 71 Ų | 71 | 67 Ų | 67 | 59% | 0.587 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N251 T252 G258 | N251-A255 VanDerWaalsContact O-CB 3.23Å; N251-A255 WeakPolarHBondContact O-CB 3.47Å; N251-A255 PolarHBondContact O-N 3.37Å; T252-A255 PolarHBondContact O-N 3.04Å; A255-G258 PolarHBondContact O-N 3.36Å |
| 256 | V | 74.7 | Confident | 70.8 | Confident | 35 Ų | 35 | 68.3 Ų | 68.3 | 21% | 0.212 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -72.1 | -27.8 | 178.8 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | V196 C197 T252 G258 K377 | V196-V256 HydrophobicContact CB-CG1 4.23Å; V196-V256 HydrophobicContact CG2-CG2 4.32Å; C197-V256 VanDerWaalsContact SG-CG1 3.51Å; T252-V256 HydrophobicContact CG2-CG2 4.07Å; T252-V256 VanDerWaalsContact O-CB 3.26Å; T252-V256 WeakPolarHBondContact O-CB 3.28Å; T252-V256 WeakPolarHBondContact O-CG2 3.48Å; T252-V256 PolarHBondContact O-N 3.33Å; V256-G258 VanDerWaalsContact C-N 3.32Å; V256-K377 WeakPolarHBondContact O-CD 3.4Å; V256-K377 WeakPolarHBondContact O-CE 3.43Å; V256-K377 PolarHBondContact O-NZ 3.02Å |
| 257 | S | 71.3 | Confident | 70.8 | Confident | 18 Ų | 18 | 75.5 Ų | 75.5 | 13% | 0.126 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -78.5 | -17.1 | 172.7 | 68.7 | 0 | 0 | 0 | 0 | 112.8 | L253 L254 M259 K377 | L253-S257 VanDerWaalsContact O-CB 3.32Å; L253-S257 WeakPolarHBondContact O-CB 3.42Å; L253-S257 PolarHBondContact O-N 3.29Å; L253-S257 PolarHBondContact O-OG 3.43Å; L254-S257 WeakPolarHBondContact CA-OG 3.17Å; L254-S257 PolarHBondContact O-N 2.93Å; L254-S257 PolarHBondContact O-OG 3.26Å; S257-M259 VanDerWaalsContact C-N 3.29Å; S257-M259 VanDerWaalsContact OG-CG 3.26Å; S257-M259 WeakPolarHBondContact OG-CG 3.19Å; S257-K377 VanDerWaalsContact C-CE 3.4Å; S257-K377 WeakPolarHBondContact O-CE 3.04Å |
| 258 | G | 68.5 | Low | 71.1 | Confident | 43 Ų | 43 | 78.9 Ų | 78.9 | 44% | 0.443 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 21.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L254 A255 V256 N260 | L254-G258 PolarHBondContact O-N 2.92Å; L254-G258 VanDerWaalsContact O-N 3.08Å; A255-G258 PolarHBondContact O-N 3.36Å; V256-G258 VanDerWaalsContact C-N 3.32Å; G258-N260 PolarHBondContact O-N 3.47Å |
| 259 | M | 66.8 | Low | 71.2 | Confident | 37 Ų | 37 | 79.7 Ų | 79.7 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | trans | -83.5 | 88 | 175.2 | -65.3 | -176.9 | 120.8 | 0 | 0 | 108.6 | L254 S257 L269 I272 E372 | L254-M259 HydrophobicContact CD2-CB 4.39Å; L254-M259 PolarHBondContact O-N 3.47Å; S257-M259 VanDerWaalsContact C-N 3.29Å; S257-M259 VanDerWaalsContact OG-CG 3.26Å; S257-M259 WeakPolarHBondContact OG-CG 3.19Å; M259-L269 HydrophobicContact CB-CD2 4.15Å; M259-L269 HydrophobicContact CE-CD2 3.64Å; M259-L269 HydrophobicContact CG-CD2 4.37Å; M259-L269 HydrophobicContact SD-CD2 3.95Å; M259-I272 HydrophobicContact CE-CD1 3.61Å; M259-I272 HydrophobicContact SD-CD1 4.21Å; M259-I272 HydrophobicContact SD-CG2 4.46Å; M259-E372 HydrophobicContact CE-CG 3.84Å; M259-E372 HydrophobicContact SD-CG 4.42Å | ||
| 260 | N | 58.8 | Low | 71.4 | Confident | 117 Ų | 117 | 81.2 Ų | 81.2 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | trans | -78.4 | 142.8 | 173.2 | -68.4 | -6.1 | 0 | 0 | 0 | 109.9 | G258 D262 | G258-N260 PolarHBondContact O-N 3.47Å; N260-D262 PolarHBondContact O-N 3.23Å | ||
| 261 | T | 57.3 | Low | 71.9 | Confident | 135 Ų | 135 | 85 Ų | 85 | 83% | 0.828 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -63.3 | 4.7 | -179.7 | 23.8 | 0 | 0 | 0 | 0 | 115.7 | N263 | T261-N263 PolarHBondContact O-N 2.93Š|
| 262 | D | 53.8 | Low | 72.4 | Confident | 135 Ų | 135 | 79.2 Ų | 79.2 | 72% | 0.722 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -91.2 | 89.7 | -175.2 | -65.9 | -28.9 | 0 | 0 | 0 | 111.1 | N260 | N260-D262 PolarHBondContact O-N 3.23Š|
| 263 | N | 54.3 | Low | 72.8 | Confident | 157 Ų | 157 | 79.1 Ų | 79.1 | 84% | 0.84 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 61.2 | 45.5 | 154.3 | -84.3 | -13.2 | 0 | 0 | 0 | 120.1 | T261 | T261-N263 PolarHBondContact O-N 2.93Š|
| 264 | T | 54.5 | Low | 73.3 | Confident | 96 Ų | 96 | 82.4 Ų | 82.4 | 59% | 0.589 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -132.1 | 124.5 | 157.1 | 44.6 | 0 | 0 | 0 | 0 | 112.1 | L269 | T264-L269 VanDerWaalsContact O-CD1 3.29Å; T264-L269 WeakPolarHBondContact O-CD1 3.09Å |
| 265 | E | 58.9 | Low | 73.9 | Confident | 128 Ų | 128 | 82.8 Ų | 82.8 | 60% | 0.598 | 47% | 0.465 | S | S | * | . | trans | 48.8 | 63.5 | 164.9 | -61.5 | -174.9 | 157.8 | 0 | 0 | 116.2 | Q267 R268 L269 | E265-Q267 PolarHBondContact O-N 2.9Å; E265-R268 HydrophobicContact CB-CB 4Å; E265-R268 PolarHBondContact O-N 3.03Å; E265-R268 WeakPolarHBondContact OE2-CD 3.39Å; E265-R268 IonicContact OE2-NH1 3.63Å; E265-R268 PolarHBondContact OE2-NH1 2.67Å; E265-L269 PolarHBondContact O-N 2.89Å | ||
| 266 | S | 69.6 | Low | 74.6 | Confident | 85 Ų | 85 | 79.5 Ų | 79.5 | 59% | 0.594 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -49 | -35.9 | -177.5 | -42.4 | 0 | 0 | 0 | 0 | 114.2 | N270 | S266-N270 WeakPolarHBondContact O-CB 3.32Å; S266-N270 PolarHBondContact O-N 3.29Å; S266-N270 PolarHBondContact O-ND2 3.28Å; S266-N270 PolarHBondContact O-OD1 3.05Å |
| 267 | Q | 79.5 | Confident | 75.5 | Confident | 162 Ų | 162 | 83 Ų | 83 | 76% | 0.757 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68.2 | -41.7 | 177.9 | -71.6 | 176.1 | -11.9 | 0 | 0 | 113.2 | E265 N270 N271 | E265-Q267 PolarHBondContact O-N 2.9Å; Q267-N270 PolarHBondContact O-N 3.12Å; Q267-N271 VanDerWaalsContact O-CG 3.25Å; Q267-N271 PolarHBondContact O-N 3.11Å; Q267-N271 PolarHBondContact O-OD1 3.11Å |
| 268 | R | 83.3 | Confident | 76.6 | Confident | 119 Ų | 119 | 83.2 Ų | 83.2 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 179 | -177.6 | -178 | 177 | 174.4 | -0.2 | 111.1 | E265 N271 I272 E372 | E265-R268 HydrophobicContact CB-CB 4Å; E265-R268 PolarHBondContact O-N 3.03Å; E265-R268 WeakPolarHBondContact OE2-CD 3.39Å; E265-R268 IonicContact OE2-NH1 3.63Å; E265-R268 PolarHBondContact OE2-NH1 2.67Å; R268-N271 PolarHBondContact O-N 3.02Å; R268-I272 HydrophobicContact CG-CD1 4.29Å; R268-I272 WeakPolarHBondContact O-CG1 3.49Å; R268-I272 PolarHBondContact O-N 3.29Å; R268-E372 IonicContact NH2-OE2 3.63Å |
| 269 | L | 83.7 | Confident | 77.8 | Confident | 28 Ų | 28 | 81.3 Ų | 81.3 | 15% | 0.147 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.6 | -69.8 | 176.5 | 0 | 0 | 0 | 111.3 | M259 T264 E265 N271 I272 I273 | M259-L269 HydrophobicContact CB-CD2 4.15Å; M259-L269 HydrophobicContact CE-CD2 3.64Å; M259-L269 HydrophobicContact CG-CD2 4.37Å; M259-L269 HydrophobicContact SD-CD2 3.95Å; T264-L269 VanDerWaalsContact O-CD1 3.29Å; T264-L269 WeakPolarHBondContact O-CD1 3.09Å; E265-L269 PolarHBondContact O-N 2.89Å; L269-N271 VanDerWaalsContact C-N 3.32Å; L269-N271 PolarHBondContact O-N 3.33Å; L269-I272 PolarHBondContact O-N 2.76Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.26Å; L269-I273 PolarHBondContact O-N 3.36Å |
| 270 | N | 86.3 | Confident | 79 | Confident | 98 Ų | 98 | 81.6 Ų | 81.6 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 176.3 | -71.7 | -21.1 | 0 | 0 | 0 | 112.4 | S266 Q267 I273 S274 | S266-N270 WeakPolarHBondContact O-CB 3.32Å; S266-N270 PolarHBondContact O-N 3.29Å; S266-N270 PolarHBondContact O-ND2 3.28Å; S266-N270 PolarHBondContact O-OD1 3.05Å; Q267-N270 PolarHBondContact O-N 3.12Å; N270-I273 PolarHBondContact O-N 3.11Å; N270-S274 WeakPolarHBondContact O-CB 3.4Å; N270-S274 PolarHBondContact O-N 3.02Å |
| 271 | N | 89.9 | Confident | 80.7 | Confident | 101 Ų | 101 | 81 Ų | 81 | 54% | 0.54 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 175.4 | -68.8 | -10.5 | 0 | 0 | 0 | 111.5 | Q267 R268 L269 I273 S274 E275 | Q267-N271 VanDerWaalsContact O-CG 3.25Å; Q267-N271 PolarHBondContact O-N 3.11Å; Q267-N271 PolarHBondContact O-OD1 3.11Å; R268-N271 PolarHBondContact O-N 3.02Å; L269-N271 VanDerWaalsContact C-N 3.32Å; L269-N271 PolarHBondContact O-N 3.33Å; N271-I273 VanDerWaalsContact C-N 3.34Å; N271-I273 PolarHBondContact O-N 2.9Å; N271-S274 WeakPolarHBondContact O-CB 3.24Å; N271-S274 PolarHBondContact O-N 2.64Å; N271-E275 PolarHBondContact O-N 2.74Å |
| 272 | I | 89.4 | Confident | 82.4 | Confident | 9 Ų | 9 | 74.9 Ų | 74.9 | 5% | 0.046 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 177.1 | -71.2 | 169.2 | 0 | 0 | 0 | 110.9 | M259 R268 L269 E275 I276 T369 E372 V373 | M259-I272 HydrophobicContact CE-CD1 3.61Å; M259-I272 HydrophobicContact SD-CD1 4.21Å; M259-I272 HydrophobicContact SD-CG2 4.46Å; R268-I272 HydrophobicContact CG-CD1 4.29Å; R268-I272 WeakPolarHBondContact O-CG1 3.49Å; R268-I272 PolarHBondContact O-N 3.29Å; L269-I272 PolarHBondContact O-N 2.76Å; I272-E275 PolarHBondContact O-N 3.16Å; I272-I276 HydrophobicContact CG2-CD1 3.77Å; I272-I276 HydrophobicContact CG2-CG1 4.38Å; I272-I276 VanDerWaalsContact O-CG1 3.25Å; I272-I276 WeakPolarHBondContact O-CG1 3.5Å; I272-I276 PolarHBondContact O-N 3.13Å; I272-T369 HydrophobicContact CG1-CG2 4.47Å; I272-T369 HydrophobicContact CG2-CG2 4.21Å; I272-E372 HydrophobicContact CD1-CG 4.04Å; I272-V373 HydrophobicContact CG2-CG2 3.88Å |
| 273 | I | 89.1 | Confident | 84.3 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 25% | 0.251 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62 | -45 | 177.4 | -68.4 | 166.2 | 0 | 0 | 0 | 110.8 | L254 L269 N270 N271 E275 I276 Q277 | L254-I273 HydrophobicContact CD1-CD1 4.37Å; L254-I273 HydrophobicContact CD1-CG1 4.13Å; L254-I273 HydrophobicContact CD2-CG1 4.27Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.26Å; L269-I273 PolarHBondContact O-N 3.36Å; N270-I273 PolarHBondContact O-N 3.11Å; N271-I273 VanDerWaalsContact C-N 3.34Å; N271-I273 PolarHBondContact O-N 2.9Å; I273-E275 PolarHBondContact O-N 2.84Å; I273-I276 PolarHBondContact O-N 3.34Å; I273-Q277 WeakPolarHBondContact O-CG 3.39Å; I273-Q277 PolarHBondContact O-N 3.07Å |
| 274 | S | 92.3 | Very high | 86.1 | Confident | 71 Ų | 71 | 63.9 Ų | 63.9 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | N270 N271 I276 Q277 A278 | N270-S274 WeakPolarHBondContact O-CB 3.4Å; N270-S274 PolarHBondContact O-N 3.02Å; N271-S274 WeakPolarHBondContact O-CB 3.24Å; N271-S274 PolarHBondContact O-N 2.64Å; S274-I276 PolarHBondContact O-N 2.84Å; S274-Q277 WeakPolarHBondContact O-CB 3.46Å; S274-Q277 PolarHBondContact O-N 3.03Å; S274-A278 PolarHBondContact O-N 2.82Å |
| 275 | E | 94.1 | Very high | 88 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.7 | -34.1 | 176.2 | -74.6 | -172.6 | -145.4 | 0 | 0 | 112.8 | N271 I272 I273 A278 L279 V365 S366 T369 | N271-E275 PolarHBondContact O-N 2.74Å; I272-E275 PolarHBondContact O-N 3.16Å; I273-E275 PolarHBondContact O-N 2.84Å; E275-A278 PolarHBondContact O-N 3.49Å; E275-L279 PolarHBondContact O-N 3.35Å; E275-V365 HydrophobicContact CB-CG1 4.35Å; E275-S366 PolarHBondContact OE1-OG 2.95Å; E275-S366 VanDerWaalsContact OE2-CB 3.28Å; E275-S366 WeakPolarHBondContact OE2-CB 3.22Å; E275-S366 PolarHBondContact OE2-N 3.39Å; E275-S366 PolarHBondContact OE2-OG 3.27Å; E275-T369 HydrophobicContact CB-CG2 3.94Å; E275-T369 WeakPolarHBondContact OE2-CB 3.34Å; E275-T369 PolarHBondContact OE2-OG1 2.9Å |
| 276 | I | 91.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 171.6 | -70.9 | 165.9 | 0 | 0 | 0 | 110.8 | L253 L254 I272 I273 S274 A278 L279 Q280 V373 | L253-I276 HydrophobicContact CB-CD1 4.36Å; L253-I276 HydrophobicContact CD1-CG1 4.37Å; L253-I276 HydrophobicContact CD1-CG2 3.86Å; L254-I276 HydrophobicContact CD2-CD1 4.31Å; I272-I276 HydrophobicContact CG2-CD1 3.77Å; I272-I276 HydrophobicContact CG2-CG1 4.38Å; I272-I276 VanDerWaalsContact O-CG1 3.25Å; I272-I276 WeakPolarHBondContact O-CG1 3.5Å; I272-I276 PolarHBondContact O-N 3.13Å; I273-I276 PolarHBondContact O-N 3.34Å; S274-I276 PolarHBondContact O-N 2.84Å; I276-A278 VanDerWaalsContact C-N 3.35Å; I276-L279 WeakPolarHBondContact O-CB 3.47Å; I276-L279 PolarHBondContact O-N 3.43Å; I276-Q280 WeakPolarHBondContact O-CG 3.45Å; I276-Q280 PolarHBondContact O-N 3.32Å; I276-V373 HydrophobicContact CD1-CG2 3.99Å; I276-V373 HydrophobicContact CG1-CG2 4.32Å |
| 277 | Q | 92.6 | Very high | 90.7 | Very high | 107 Ų | 107 | 59 Ų | 59 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.9 | -71.6 | 171.5 | -12.4 | 0 | 0 | 111.2 | I273 S274 L279 Q280 E281 | I273-Q277 WeakPolarHBondContact O-CG 3.39Å; I273-Q277 PolarHBondContact O-N 3.07Å; S274-Q277 WeakPolarHBondContact O-CB 3.46Å; S274-Q277 PolarHBondContact O-N 3.03Å; Q277-L279 VanDerWaalsContact C-N 3.34Å; Q277-L279 PolarHBondContact O-N 3.48Å; Q277-Q280 WeakPolarHBondContact O-CB 3.49Å; Q277-Q280 PolarHBondContact O-N 3.33Å; Q277-E281 PolarHBondContact O-N 2.9Å |
| 278 | A | 93.9 | Very high | 91.3 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S274 E275 I276 Q280 E281 V282 | S274-A278 PolarHBondContact O-N 2.82Å; E275-A278 PolarHBondContact O-N 3.49Å; I276-A278 VanDerWaalsContact C-N 3.35Å; A278-Q280 PolarHBondContact O-N 3.05Å; A278-E281 PolarHBondContact O-N 3.27Å; A278-V282 VanDerWaalsContact O-CG2 3.28Å; A278-V282 WeakPolarHBondContact O-CG2 3.25Å; A278-V282 PolarHBondContact O-N 2.92Å |
| 279 | L | 94.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 173.9 | -178.9 | 57 | 0 | 0 | 0 | 111.7 | V238 I241 V248 E275 I276 Q277 E281 V282 V283 V365 F374 | V238-L279 HydrophobicContact CB-CD1 4.41Å; V238-L279 HydrophobicContact CG1-CD1 3.79Å; V238-L279 HydrophobicContact CG2-CD1 3.92Å; I241-L279 HydrophobicContact CD1-CD2 4.31Å; V248-L279 HydrophobicContact CG1-CD2 4.12Å; V248-L279 HydrophobicContact CG1-CG 4.34Å; E275-L279 PolarHBondContact O-N 3.35Å; I276-L279 WeakPolarHBondContact O-CB 3.47Å; I276-L279 PolarHBondContact O-N 3.43Å; Q277-L279 VanDerWaalsContact C-N 3.34Å; Q277-L279 PolarHBondContact O-N 3.48Å; L279-E281 VanDerWaalsContact C-N 3.31Å; L279-E281 PolarHBondContact O-N 3.36Å; L279-V282 PolarHBondContact O-N 2.92Å; L279-V283 HydrophobicContact CD1-CG2 4.1Å; L279-V283 HydrophobicContact CG-CG2 4.45Å; L279-V283 WeakPolarHBondContact O-CB 3.21Å; L279-V283 VanDerWaalsContact O-CG2 3.25Å; L279-V283 WeakPolarHBondContact O-CG2 2.92Å; L279-V283 PolarHBondContact O-N 3.34Å; L279-V365 HydrophobicContact CB-CG2 3.69Å; L279-V365 HydrophobicContact CD1-CG2 4.17Å; L279-V365 HydrophobicContact CG-CG2 4.43Å; L279-F374 HydrophobicContact CD2-CE2 3.9Å; L279-F374 HydrophobicContact CD2-CZ 3.92Å |
| 280 | Q | 92.8 | Very high | 92.1 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 178.1 | -73 | 165.9 | -2.3 | 0 | 0 | 111.8 | V248 S250 I276 Q277 A278 V283 T284 | V248-Q280 HydrophobicContact CB-CG 4.19Å; V248-Q280 HydrophobicContact CG2-CG 3.91Å; V248-Q280 WeakPolarHBondContact O-CG 3.38Å; V248-Q280 PolarHBondContact O-NE2 2.78Å; S250-Q280 PolarHBondContact OG-NE2 3.48Å; I276-Q280 WeakPolarHBondContact O-CG 3.45Å; I276-Q280 PolarHBondContact O-N 3.32Å; Q277-Q280 WeakPolarHBondContact O-CB 3.49Å; Q277-Q280 PolarHBondContact O-N 3.33Å; A278-Q280 PolarHBondContact O-N 3.05Å; Q280-V283 PolarHBondContact O-N 3.48Å; Q280-T284 VanDerWaalsContact O-CB 3.31Å; Q280-T284 WeakPolarHBondContact O-CB 3.14Å; Q280-T284 PolarHBondContact O-N 2.8Å; Q280-T284 PolarHBondContact O-OG1 2.92Å |
| 281 | E | 93.8 | Very high | 92.5 | Very high | 104 Ų | 104 | 59.6 Ų | 59.6 | 49% | 0.486 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 178.6 | -173 | 178.7 | -175 | 0 | 0 | 111.1 | Q277 A278 L279 V283 T284 R285 | Q277-E281 PolarHBondContact O-N 2.9Å; A278-E281 PolarHBondContact O-N 3.27Å; L279-E281 VanDerWaalsContact C-N 3.31Å; L279-E281 PolarHBondContact O-N 3.36Å; E281-V283 PolarHBondContact O-N 2.89Å; E281-T284 PolarHBondContact O-N 3.38Å; E281-R285 WeakPolarHBondContact O-CG 3.32Å; E281-R285 PolarHBondContact O-N 3.13Å; E281-R285 IonicContact OE1-CZ 2.7Å; E281-R285 IonicContact OE1-NE 2.75Å; E281-R285 PolarHBondContact OE1-NE 3.48Å; E281-R285 IonicContact OE1-NH2 3.97Å; E281-R285 PolarHBondContact OE1-NH2 3.34Å |
| 282 | V | 94 | Very high | 92.6 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.9 | -51.4 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | V238 A278 L279 T284 R285 F286 A361 L362 | V238-V282 HydrophobicContact CG1-CG1 3.93Å; A278-V282 VanDerWaalsContact O-CG2 3.28Å; A278-V282 WeakPolarHBondContact O-CG2 3.25Å; A278-V282 PolarHBondContact O-N 2.92Å; L279-V282 PolarHBondContact O-N 2.92Å; V282-T284 VanDerWaalsContact C-N 3.27Å; V282-T284 PolarHBondContact O-N 3.45Å; V282-R285 PolarHBondContact O-N 3.39Å; V282-F286 HydrophobicContact CG1-CD2 3.91Å; V282-F286 HydrophobicContact CG1-CE2 3.83Å; V282-F286 VanDerWaalsContact O-CD2 3.31Å; V282-F286 WeakPolarHBondContact O-CD2 3.46Å; V282-F286 PolarHBondContact O-N 3.31Å; V282-F286 VanDerWaalsContact O-N 3.1Å; V282-A361 HydrophobicContact CG2-CB 3.83Å; V282-A361 VanDerWaalsContact CG2-O 3.3Å; V282-A361 WeakPolarHBondContact CG2-O 3.44Å; V282-L362 HydrophobicContact CG1-CD2 4Å |
| 283 | V | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 179.6 | 169 | 0 | 0 | 0 | 0 | 111.2 | I241 A242 V248 L279 Q280 E281 F286 R287 | I241-V283 HydrophobicContact CG2-CG2 3.61Å; A242-V283 HydrophobicContact CB-CG2 4.45Å; V248-V283 HydrophobicContact CG2-CB 4.45Å; V248-V283 HydrophobicContact CG2-CG1 4.26Å; L279-V283 HydrophobicContact CD1-CG2 4.1Å; L279-V283 HydrophobicContact CG-CG2 4.45Å; L279-V283 WeakPolarHBondContact O-CB 3.21Å; L279-V283 VanDerWaalsContact O-CG2 3.25Å; L279-V283 WeakPolarHBondContact O-CG2 2.92Å; L279-V283 PolarHBondContact O-N 3.34Å; Q280-V283 PolarHBondContact O-N 3.48Å; E281-V283 PolarHBondContact O-N 2.89Å; V283-F286 PolarHBondContact O-N 2.99Å; V283-R287 VanDerWaalsContact CG1-NH2 3.34Å; V283-R287 WeakPolarHBondContact O-CG 3.46Å; V283-R287 PolarHBondContact O-N 2.85Å |
| 284 | T | 92.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 177.8 | -60 | 0 | 0 | 0 | 0 | 111.7 | Q280 E281 V282 F286 R287 Q288 | Q280-T284 VanDerWaalsContact O-CB 3.31Å; Q280-T284 WeakPolarHBondContact O-CB 3.14Å; Q280-T284 PolarHBondContact O-N 2.8Å; Q280-T284 PolarHBondContact O-OG1 2.92Å; E281-T284 PolarHBondContact O-N 3.38Å; V282-T284 VanDerWaalsContact C-N 3.27Å; V282-T284 PolarHBondContact O-N 3.45Å; T284-F286 PolarHBondContact O-N 3.26Å; T284-R287 PolarHBondContact O-N 3.45Å; T284-Q288 HydrophobicContact CG2-CG 4.44Å; T284-Q288 VanDerWaalsContact O-CG 3.32Å; T284-Q288 WeakPolarHBondContact O-CG 3.26Å; T284-Q288 PolarHBondContact O-N 3.45Å |
| 285 | R | 94.3 | Very high | 92.9 | Very high | 103 Ų | 103 | 54.5 Ų | 54.5 | 39% | 0.389 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 176.5 | -69.3 | 176.3 | -174.6 | -172.3 | 2.4 | 111.9 | E281 V282 Q288 L289 L358 | E281-R285 WeakPolarHBondContact O-CG 3.32Å; E281-R285 PolarHBondContact O-N 3.13Å; E281-R285 IonicContact OE1-CZ 2.7Å; E281-R285 IonicContact OE1-NE 2.75Å; E281-R285 PolarHBondContact OE1-NE 3.48Å; E281-R285 IonicContact OE1-NH2 3.97Å; E281-R285 PolarHBondContact OE1-NH2 3.34Å; V282-R285 PolarHBondContact O-N 3.39Å; R285-Q288 PolarHBondContact O-N 3.19Å; R285-L289 PolarHBondContact O-N 3.34Å; R285-L358 HydrophobicContact CB-CD2 3.9Å |
| 286 | F | 93.8 | Very high | 93 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 174.7 | -84 | -74.8 | 0 | 0 | 0 | 112.4 | L239 A242 V282 V283 T284 Q288 L289 R290 L291 L299 L358 L362 | L239-F286 HydrophobicContact CD2-CD1 4.48Å; L239-F286 HydrophobicContact CD2-CE1 3.79Å; L239-F286 HydrophobicContact CD2-CE2 4.25Å; L239-F286 HydrophobicContact CD2-CZ 3.66Å; A242-F286 HydrophobicContact CB-CB 3.83Å; A242-F286 HydrophobicContact CB-CD2 4.32Å; A242-F286 HydrophobicContact CB-CG 4.15Å; V282-F286 HydrophobicContact CG1-CD2 3.91Å; V282-F286 HydrophobicContact CG1-CE2 3.83Å; V282-F286 VanDerWaalsContact O-CD2 3.31Å; V282-F286 WeakPolarHBondContact O-CD2 3.46Å; V282-F286 PolarHBondContact O-N 3.31Å; V282-F286 VanDerWaalsContact O-N 3.1Å; V283-F286 PolarHBondContact O-N 2.99Å; T284-F286 PolarHBondContact O-N 3.26Å; F286-Q288 PolarHBondContact O-N 3.25Å; F286-L289 PolarHBondContact O-N 3.37Å; F286-R290 PolarHBondContact O-N 2.8Å; F286-L291 HydrophobicContact CD1-CD1 4.07Å; F286-L291 HydrophobicContact CD1-CD2 3.71Å; F286-L291 HydrophobicContact CE1-CD2 3.96Å; F286-L299 HydrophobicContact CE1-CD1 3.85Å; F286-L358 HydrophobicContact CD1-CD1 3.92Å; F286-L358 HydrophobicContact CD2-CD1 4.33Å; F286-L358 HydrophobicContact CE1-CB 4.17Å; F286-L358 HydrophobicContact CE1-CD1 3.82Å; F286-L358 HydrophobicContact CE2-CB 4.03Å; F286-L358 HydrophobicContact CE2-CD1 4.23Å; F286-L358 HydrophobicContact CG-CD1 4.18Å; F286-L358 HydrophobicContact CZ-CB 3.63Å; F286-L358 HydrophobicContact CZ-CD1 3.98Å; F286-L358 HydrophobicContact CZ-CG 4.46Å; F286-L362 HydrophobicContact CE2-CD2 3.56Å; F286-L362 HydrophobicContact CE2-CG 4.29Å; F286-L362 HydrophobicContact CZ-CD2 3.99Å; F286-L362 HydrophobicContact CZ-CG 4.42Å |
| 287 | R | 90 | Very high | 93.2 | Very high | 103 Ų | 103 | 53.6 Ų | 53.6 | 39% | 0.389 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 177.4 | -72.5 | 175.8 | -173.5 | 162.7 | 3.8 | 112.5 | I246 V283 T284 L289 R290 | I246-R287 PolarHBondContact O-NH2 3.07Å; V283-R287 VanDerWaalsContact CG1-NH2 3.34Å; V283-R287 WeakPolarHBondContact O-CG 3.46Å; V283-R287 PolarHBondContact O-N 2.85Å; T284-R287 PolarHBondContact O-N 3.45Å; R287-L289 VanDerWaalsContact C-N 3.33Å; R287-L289 PolarHBondContact O-N 3.09Å; R287-R290 WeakPolarHBondContact O-CG 3.25Å; R287-R290 PolarHBondContact O-N 2.63Å; R287-R290 VanDerWaalsContact O-N 3.17Å |
| 288 | Q | 93.1 | Very high | 93.3 | Very high | 144 Ų | 144 | 48.9 Ų | 48.9 | 67% | 0.673 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.9 | -36.7 | 177.4 | -74.9 | 172 | -7.7 | 0 | 0 | 112.5 | T284 R285 F286 R290 | T284-Q288 HydrophobicContact CG2-CG 4.44Å; T284-Q288 VanDerWaalsContact O-CG 3.32Å; T284-Q288 WeakPolarHBondContact O-CG 3.26Å; T284-Q288 PolarHBondContact O-N 3.45Å; R285-Q288 PolarHBondContact O-N 3.19Å; F286-Q288 PolarHBondContact O-N 3.25Å; Q288-R290 PolarHBondContact O-N 3.24Å |
| 289 | L | 92.8 | Very high | 93.5 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.1 | -11.6 | 176.7 | -71.2 | -177.7 | 0 | 0 | 0 | 113.8 | R285 F286 R287 L291 R351 K354 L355 L358 | R285-L289 PolarHBondContact O-N 3.34Å; F286-L289 PolarHBondContact O-N 3.37Å; R287-L289 VanDerWaalsContact C-N 3.33Å; R287-L289 PolarHBondContact O-N 3.09Å; L289-L291 HydrophobicContact CB-CD1 3.47Å; L289-L291 VanDerWaalsContact CB-CD1 3.47Å; L289-L291 HydrophobicContact CD1-CD1 4.42Å; L289-L291 PolarHBondContact O-N 3.07Å; L289-R351 PolarHBondContact O-NH1 3.47Å; L289-R351 PolarHBondContact O-NH2 3.5Å; L289-K354 HydrophobicContact CD1-CB 4.5Å; L289-K354 HydrophobicContact CD2-CD 4.44Å; L289-L355 HydrophobicContact CD1-CD2 3.91Å; L289-L358 HydrophobicContact CD1-CD1 3.45Å; L289-L358 VanDerWaalsContact CD1-CD1 3.45Å; L289-L358 HydrophobicContact CD1-CG 4.42Å |
| 290 | R | 91.6 | Very high | 93.6 | Very high | 214 Ų | 214 | 48.1 Ų | 48.1 | 81% | 0.808 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 62.9 | 179.3 | -63.2 | -171.6 | 175.7 | -163.4 | -0.6 | 112 | F286 R287 Q288 R351 | F286-R290 PolarHBondContact O-N 2.8Å; R287-R290 WeakPolarHBondContact O-CG 3.25Å; R287-R290 PolarHBondContact O-N 2.63Å; R287-R290 VanDerWaalsContact O-N 3.17Å; Q288-R290 PolarHBondContact O-N 3.24Å; R290-R351 PolarHBondContact O-NH2 3.08Å |
| 291 | L | 94.1 | Very high | 93.8 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | trans | -66.1 | 141.2 | 178.5 | -80.2 | 67.2 | 0 | 0 | 0 | 110.8 | F286 L289 E295 F296 L299 L355 | F286-L291 HydrophobicContact CD1-CD1 4.07Å; F286-L291 HydrophobicContact CD1-CD2 3.71Å; F286-L291 HydrophobicContact CE1-CD2 3.96Å; L289-L291 HydrophobicContact CB-CD1 3.47Å; L289-L291 VanDerWaalsContact CB-CD1 3.47Å; L289-L291 HydrophobicContact CD1-CD1 4.42Å; L289-L291 PolarHBondContact O-N 3.07Å; L291-E295 WeakPolarHBondContact CA-OE2 3.41Å; L291-E295 HydrophobicContact CB-CB 4.27Å; L291-E295 HydrophobicContact CD2-CB 4.38Å; L291-E295 HydrophobicContact CG-CB 4.23Å; L291-F296 HydrophobicContact CB-CD2 3.75Å; L291-F296 HydrophobicContact CB-CE1 4.47Å; L291-F296 HydrophobicContact CB-CE2 3.41Å; L291-F296 VanDerWaalsContact CB-CE2 3.41Å; L291-F296 HydrophobicContact CB-CG 4.4Å; L291-F296 HydrophobicContact CB-CZ 3.82Å; L291-F296 HydrophobicContact CD2-CD1 4.2Å; L291-F296 HydrophobicContact CD2-CE1 4.06Å; L291-F296 HydrophobicContact CD2-CE2 4.42Å; L291-F296 HydrophobicContact CD2-CG 4.44Å; L291-F296 HydrophobicContact CD2-CZ 4.17Å; L291-L299 HydrophobicContact CD2-CD1 3.43Å; L291-L299 VanDerWaalsContact CD2-CD1 3.43Å; L291-L355 HydrophobicContact CD1-CD2 3.61Å; L291-L355 HydrophobicContact CD2-CD2 3.81Å; L291-L355 HydrophobicContact CG-CD2 3.69Å | ||
| 292 | D | 91.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 17% | 0.171 | 20% | 0.198 | C | C | . | . | trans | -87.7 | 173.9 | 168.9 | 65.6 | 53.1 | 0 | 0 | 0 | 112.4 | T294 E295 F296 Y340 Y345 | D292-T294 VanDerWaalsContact C-N 3.27Å; D292-T294 PolarHBondContact O-N 2.99Å; D292-T294 WeakPolarHBondContact OD1-CA 3.29Å; D292-T294 WeakPolarHBondContact OD1-CB 3.29Å; D292-T294 PolarHBondContact OD1-N 3.17Å; D292-E295 PolarHBondContact N-OE2 3.38Å; D292-E295 PolarHBondContact O-N 3.28Å; D292-E295 WeakPolarHBondContact OD1-CG 3.5Å; D292-E295 PolarHBondContact OD1-N 2.85Å; D292-F296 VanDerWaalsContact O-CD2 3.24Å; D292-F296 WeakPolarHBondContact O-CD2 2.96Å; D292-F296 PolarHBondContact O-N 3.44Å; D292-Y340 WeakPolarHBondContact OD2-CE1 3.37Å; D292-Y340 PolarHBondContact OD2-OH 3.4Å; D292-Y340 VanDerWaalsContact OD2-OH 3.1Å; D292-Y345 WeakPolarHBondContact OD2-CE2 3.25Å; D292-Y345 PolarHBondContact OD2-OH 3.33Å | ||
| 293 | A | 90.7 | Very high | 93.9 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.1 | -33.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A297 | A293-A297 WeakPolarHBondContact O-CB 3.33Å; A293-A297 PolarHBondContact O-N 3.28Å |
| 294 | T | 91.9 | Very high | 94 | Very high | 46 Ų | 46 | 41.4 Ų | 41.4 | 28% | 0.282 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.3 | -44 | 179.5 | -57.2 | 0 | 0 | 0 | 0 | 110.2 | D292 F296 A297 C298 Y340 | D292-T294 VanDerWaalsContact C-N 3.27Å; D292-T294 PolarHBondContact O-N 2.99Å; D292-T294 WeakPolarHBondContact OD1-CA 3.29Å; D292-T294 WeakPolarHBondContact OD1-CB 3.29Å; D292-T294 PolarHBondContact OD1-N 3.17Å; T294-F296 PolarHBondContact O-N 3.11Å; T294-A297 WeakPolarHBondContact O-CB 2.9Å; T294-A297 PolarHBondContact O-N 3.13Å; T294-C298 PolarHBondContact O-N 3.25Å; T294-C298 PolarHBondContact O-SG 3.46Å; T294-Y340 HydrophobicContact CG2-CD1 4.18Å; T294-Y340 HydrophobicContact CG2-CD2 3.77Å; T294-Y340 HydrophobicContact CG2-CE1 4.19Å; T294-Y340 HydrophobicContact CG2-CE2 3.76Å; T294-Y340 HydrophobicContact CG2-CG 3.98Å |
| 295 | E | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 175.2 | -66 | 176.6 | 132.9 | 0 | 0 | 111.6 | L291 D292 A297 C298 L299 L337 Y340 Y345 R351 L355 | L291-E295 WeakPolarHBondContact CA-OE2 3.41Å; L291-E295 HydrophobicContact CB-CB 4.27Å; L291-E295 HydrophobicContact CD2-CB 4.38Å; L291-E295 HydrophobicContact CG-CB 4.23Å; D292-E295 PolarHBondContact N-OE2 3.38Å; D292-E295 PolarHBondContact O-N 3.28Å; D292-E295 WeakPolarHBondContact OD1-CG 3.5Å; D292-E295 PolarHBondContact OD1-N 2.85Å; E295-A297 VanDerWaalsContact C-N 3.33Å; E295-A297 PolarHBondContact O-N 2.92Å; E295-C298 PolarHBondContact O-N 3.02Å; E295-L299 VanDerWaalsContact O-CG 3.31Å; E295-L299 WeakPolarHBondContact O-CG 3.25Å; E295-L299 PolarHBondContact O-N 2.97Å; E295-L337 HydrophobicContact CB-CD1 4.34Å; E295-L337 HydrophobicContact CG-CD1 4.1Å; E295-Y340 HydrophobicContact CG-CD1 4.17Å; E295-Y340 HydrophobicContact CG-CE1 4Å; E295-Y345 WeakPolarHBondContact OE1-CE2 3.42Å; E295-R351 IonicContact OE1-CZ 3.34Å; E295-R351 IonicContact OE1-NE 2.66Å; E295-R351 PolarHBondContact OE1-NE 3.36Å; E295-R351 IonicContact OE1-NH2 3.2Å; E295-R351 PolarHBondContact OE1-NH2 3.31Å; E295-R351 IonicContact OE2-CZ 3.65Å; E295-R351 IonicContact OE2-NE 3.75Å; E295-R351 IonicContact OE2-NH2 2.73Å; E295-R351 PolarHBondContact OE2-NH2 2.94Å; E295-L355 HydrophobicContact CG-CD1 4.43Å |
| 296 | F | 96.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.9 | -41.4 | 173.9 | -84.6 | -67.1 | 0 | 0 | 0 | 112.4 | L239 A242 Q243 L291 D292 T294 L299 K300 | L239-F296 HydrophobicContact CD2-CD1 4.5Å; A242-F296 HydrophobicContact CB-CE1 4.4Å; Q243-F296 HydrophobicContact CB-CD1 3.93Å; Q243-F296 HydrophobicContact CB-CD2 4.18Å; Q243-F296 HydrophobicContact CB-CE1 3.76Å; Q243-F296 HydrophobicContact CB-CE2 4.02Å; Q243-F296 HydrophobicContact CB-CG 4.15Å; Q243-F296 HydrophobicContact CB-CZ 3.81Å; Q243-F296 HydrophobicContact CG-CD1 4.33Å; Q243-F296 HydrophobicContact CG-CD2 3.84Å; Q243-F296 HydrophobicContact CG-CE1 4.47Å; Q243-F296 HydrophobicContact CG-CE2 3.98Å; Q243-F296 HydrophobicContact CG-CG 4.03Å; Q243-F296 HydrophobicContact CG-CZ 4.3Å; L291-F296 HydrophobicContact CB-CD2 3.75Å; L291-F296 HydrophobicContact CB-CE1 4.47Å; L291-F296 HydrophobicContact CB-CE2 3.41Å; L291-F296 VanDerWaalsContact CB-CE2 3.41Å; L291-F296 HydrophobicContact CB-CG 4.4Å; L291-F296 HydrophobicContact CB-CZ 3.82Å; L291-F296 HydrophobicContact CD2-CD1 4.2Å; L291-F296 HydrophobicContact CD2-CE1 4.06Å; L291-F296 HydrophobicContact CD2-CE2 4.42Å; L291-F296 HydrophobicContact CD2-CG 4.44Å; L291-F296 HydrophobicContact CD2-CZ 4.17Å; D292-F296 VanDerWaalsContact O-CD2 3.24Å; D292-F296 WeakPolarHBondContact O-CD2 2.96Å; D292-F296 PolarHBondContact O-N 3.44Å; T294-F296 PolarHBondContact O-N 3.11Å; F296-L299 PolarHBondContact O-N 3.07Å; F296-K300 WeakPolarHBondContact O-CB 3.42Å; F296-K300 VanDerWaalsContact O-CG 3.23Å; F296-K300 WeakPolarHBondContact O-CG 3.44Å; F296-K300 PolarHBondContact O-N 2.7Å |
| 297 | A | 94.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A293 T294 E295 K300 C301 | A293-A297 WeakPolarHBondContact O-CB 3.33Å; A293-A297 PolarHBondContact O-N 3.28Å; T294-A297 WeakPolarHBondContact O-CB 2.9Å; T294-A297 PolarHBondContact O-N 3.13Å; E295-A297 VanDerWaalsContact C-N 3.33Å; E295-A297 PolarHBondContact O-N 2.92Å; A297-K300 PolarHBondContact O-N 3.5Å; A297-C301 PolarHBondContact O-N 2.86Å; A297-C301 PolarHBondContact O-SG 3.49Å; A297-C301 VanDerWaalsContact O-SG 3.41Å |
| 298 | C | 96.1 | Very high | 91.5 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 5% | 0.054 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 176.4 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | T294 E295 K300 C301 I302 L337 | T294-C298 PolarHBondContact O-N 3.25Å; T294-C298 PolarHBondContact O-SG 3.46Å; E295-C298 PolarHBondContact O-N 3.02Å; C298-K300 VanDerWaalsContact C-N 3.32Å; C298-K300 PolarHBondContact O-N 3.33Å; C298-C301 WeakPolarHBondContact O-CB 2.95Å; C298-C301 PolarHBondContact O-N 3.29Å; C298-C301 VanDerWaalsContact O-N 3.15Å; C298-I302 VanDerWaalsContact O-CG1 3.3Å; C298-I302 WeakPolarHBondContact O-CG1 3.29Å; C298-I302 PolarHBondContact O-N 3.12Å; C298-L337 HydrophobicContact CB-CB 3.86Å; C298-L337 HydrophobicContact CB-CD1 3.91Å; C298-L337 HydrophobicContact CB-CD2 4.41Å; C298-L337 HydrophobicContact CB-CG 4.26Å |
| 299 | L | 97.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | 177.9 | -66.4 | 179 | 0 | 0 | 0 | 112 | L239 F286 L291 E295 F296 C301 I302 V303 L337 L355 L359 | L239-L299 HydrophobicContact CD1-CB 4.26Å; F286-L299 HydrophobicContact CE1-CD1 3.85Å; L291-L299 HydrophobicContact CD2-CD1 3.43Å; L291-L299 VanDerWaalsContact CD2-CD1 3.43Å; E295-L299 VanDerWaalsContact O-CG 3.31Å; E295-L299 WeakPolarHBondContact O-CG 3.25Å; E295-L299 PolarHBondContact O-N 2.97Å; F296-L299 PolarHBondContact O-N 3.07Å; L299-C301 VanDerWaalsContact C-N 3.34Å; L299-C301 PolarHBondContact O-N 2.94Å; L299-I302 HydrophobicContact CD2-CD1 4.31Å; L299-I302 PolarHBondContact O-N 3.35Å; L299-V303 WeakPolarHBondContact O-CG1 3.48Å; L299-V303 WeakPolarHBondContact O-CG2 3.48Å; L299-V303 PolarHBondContact O-N 3.4Å; L299-L337 HydrophobicContact CD2-CD2 3.86Å; L299-L355 HydrophobicContact CD1-CD2 4.46Å; L299-L355 HydrophobicContact CD2-CB 4.24Å; L299-L359 HydrophobicContact CB-CD2 4.43Å; L299-L359 HydrophobicContact CD2-CD2 3.92Å; L299-L359 HydrophobicContact CD2-CG 4.42Å |
| 300 | K | 96.3 | Very high | 87.5 | Confident | 9 Ų | 9 | 36.5 Ų | 36.5 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 173.2 | -73.1 | 176.1 | -173.8 | 178.3 | 0 | 111.6 | W210 L236 L239 Q243 F296 A297 C298 V303 T304 | W210-K300 HydrophobicContact CD2-CD 4.12Å; W210-K300 HydrophobicContact CE3-CB 4.31Å; W210-K300 HydrophobicContact CE3-CD 4.19Å; W210-K300 HydrophobicContact CH2-CB 3.25Å; W210-K300 HydrophobicContact CH2-CD 4.31Å; W210-K300 HydrophobicContact CH2-CG 4.41Å; W210-K300 HydrophobicContact CZ2-CB 3.7Å; W210-K300 HydrophobicContact CZ2-CD 4.2Å; W210-K300 HydrophobicContact CZ3-CB 3.6Å; W210-K300 HydrophobicContact CZ3-CD 4.3Å; W210-K300 HydrophobicContact CZ3-CG 4.49Å; L236-K300 HydrophobicContact CD2-CB 3.74Å; L236-K300 HydrophobicContact CD2-CD 4.43Å; L236-K300 HydrophobicContact CD2-CG 3.77Å; L239-K300 HydrophobicContact CD1-CG 4.03Å; Q243-K300 VanDerWaalsContact OE1-CE 3.3Å; F296-K300 WeakPolarHBondContact O-CB 3.42Å; F296-K300 VanDerWaalsContact O-CG 3.23Å; F296-K300 WeakPolarHBondContact O-CG 3.44Å; F296-K300 PolarHBondContact O-N 2.7Å; A297-K300 PolarHBondContact O-N 3.5Å; C298-K300 VanDerWaalsContact C-N 3.32Å; C298-K300 PolarHBondContact O-N 3.33Å; K300-V303 VanDerWaalsContact O-CG2 3.32Å; K300-V303 WeakPolarHBondContact O-CG2 3.42Å; K300-V303 PolarHBondContact O-N 3.5Å; K300-T304 VanDerWaalsContact O-CB 3.27Å; K300-T304 WeakPolarHBondContact O-CB 3.03Å; K300-T304 PolarHBondContact O-N 2.93Å; K300-T304 PolarHBondContact O-OG1 2.88Å |
| 301 | C | 96.1 | Very high | 85.1 | Confident | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -47.8 | 174.1 | -70.8 | 0 | 0 | 0 | 0 | 111.3 | A297 C298 L299 V303 T304 F305 A333 | A297-C301 PolarHBondContact O-N 2.86Å; A297-C301 PolarHBondContact O-SG 3.49Å; A297-C301 VanDerWaalsContact O-SG 3.41Å; C298-C301 WeakPolarHBondContact O-CB 2.95Å; C298-C301 PolarHBondContact O-N 3.29Å; C298-C301 VanDerWaalsContact O-N 3.15Å; L299-C301 VanDerWaalsContact C-N 3.34Å; L299-C301 PolarHBondContact O-N 2.94Å; C301-V303 VanDerWaalsContact C-N 3.33Å; C301-V303 PolarHBondContact O-N 2.96Å; C301-T304 PolarHBondContact O-N 2.95Å; C301-T304 VanDerWaalsContact O-N 3.1Å; C301-F305 HydrophobicContact CB-CD2 4Å; C301-F305 HydrophobicContact CB-CE2 3.93Å; C301-F305 VanDerWaalsContact O-CD2 3.23Å; C301-F305 WeakPolarHBondContact O-CD2 3.22Å; C301-F305 PolarHBondContact O-N 2.8Å; C301-A333 HydrophobicContact CB-CB 3.7Å |
| 302 | I | 95.8 | Very high | 82.6 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.4 | -42.5 | 180 | -66.1 | 162.8 | 0 | 0 | 0 | 111.5 | C298 L299 T304 Q330 A333 Q334 L337 L356 L359 | C298-I302 VanDerWaalsContact O-CG1 3.3Å; C298-I302 WeakPolarHBondContact O-CG1 3.29Å; C298-I302 PolarHBondContact O-N 3.12Å; L299-I302 HydrophobicContact CD2-CD1 4.31Å; L299-I302 PolarHBondContact O-N 3.35Å; I302-T304 VanDerWaalsContact C-N 3.34Å; I302-Q330 HydrophobicContact CG2-CG 4.41Å; I302-Q330 PolarHBondContact O-NE2 2.63Å; I302-A333 HydrophobicContact CG1-CB 3.76Å; I302-Q334 HydrophobicContact CD1-CG 3.89Å; I302-Q334 HydrophobicContact CG1-CG 3.95Å; I302-L337 HydrophobicContact CD1-CD2 4Å; I302-L356 HydrophobicContact CD1-CD2 4.03Å; I302-L359 HydrophobicContact CB-CD1 4.43Å; I302-L359 HydrophobicContact CG2-CD1 3.57Å |
| 303 | V | 95.4 | Very high | 80.3 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -76.5 | -21.4 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 113.5 | A232 E235 L236 L239 L299 K300 C301 K306 L359 L362 | A232-V303 WeakPolarHBondContact CB-O 3.26Å; E235-V303 HydrophobicContact CB-CB 4.16Å; E235-V303 HydrophobicContact CB-CG1 4.4Å; E235-V303 HydrophobicContact CB-CG2 4.26Å; L236-V303 HydrophobicContact CD2-CG2 3.84Å; L236-V303 HydrophobicContact CG-CG2 4.22Å; L239-V303 HydrophobicContact CD1-CG1 4.32Å; L239-V303 HydrophobicContact CD1-CG2 3.88Å; L299-V303 WeakPolarHBondContact O-CG1 3.48Å; L299-V303 WeakPolarHBondContact O-CG2 3.48Å; L299-V303 PolarHBondContact O-N 3.4Å; K300-V303 VanDerWaalsContact O-CG2 3.32Å; K300-V303 WeakPolarHBondContact O-CG2 3.42Å; K300-V303 PolarHBondContact O-N 3.5Å; C301-V303 VanDerWaalsContact C-N 3.33Å; C301-V303 PolarHBondContact O-N 2.96Å; V303-K306 WeakPolarHBondContact O-CD 3.32Å; V303-K306 VanDerWaalsContact O-CE 3.26Å; V303-K306 WeakPolarHBondContact O-CE 3.45Å; V303-K306 PolarHBondContact O-NZ 2.94Å; V303-L359 HydrophobicContact CG1-CD2 3.67Å; V303-L362 HydrophobicContact CG1-CD1 3.95Å |
| 304 | T | 94.9 | Very high | 77.8 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -83.4 | -49.1 | 179.3 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | F217 L228 K300 C301 I302 K306 | F217-T304 HydrophobicContact CD2-CG2 3.89Å; F217-T304 HydrophobicContact CE2-CG2 3.84Å; L228-T304 HydrophobicContact CB-CG2 4.48Å; L228-T304 VanDerWaalsContact CD2-O 3.24Å; L228-T304 WeakPolarHBondContact CD2-O 3.49Å; K300-T304 VanDerWaalsContact O-CB 3.27Å; K300-T304 WeakPolarHBondContact O-CB 3.03Å; K300-T304 PolarHBondContact O-N 2.93Å; K300-T304 PolarHBondContact O-OG1 2.88Å; C301-T304 PolarHBondContact O-N 2.95Å; C301-T304 VanDerWaalsContact O-N 3.1Å; I302-T304 VanDerWaalsContact C-N 3.34Å; T304-K306 PolarHBondContact O-N 2.81Å |
| 305 | F | 93.8 | Very high | 75.4 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | trans | -80.7 | 61.4 | -178.4 | -59.2 | -56.3 | 0 | 0 | 0 | 111.2 | V214 A216 F217 L220 L228 C301 I326 L329 Q330 | V214-F305 HydrophobicContact CG1-CZ 4.29Å; A216-F305 HydrophobicContact CB-CZ 4.32Å; F217-F305 HydrophobicContact CB-CE1 4.03Å; F217-F305 HydrophobicContact CB-CZ 3.96Å; F217-F305 AromaticContact CD2-CE1 3.88Å; F217-F305 HydrophobicContact CD2-CE1 3.88Å; F217-F305 HydrophobicContact CD2-CZ 4.43Å; F217-F305 HydrophobicContact CG-CE1 4.46Å; L220-F305 HydrophobicContact CD1-CD1 4.35Å; L220-F305 HydrophobicContact CD1-CE1 4.03Å; L228-F305 HydrophobicContact CD1-CD1 4.38Å; C301-F305 HydrophobicContact CB-CD2 4Å; C301-F305 HydrophobicContact CB-CE2 3.93Å; C301-F305 VanDerWaalsContact O-CD2 3.23Å; C301-F305 WeakPolarHBondContact O-CD2 3.22Å; C301-F305 PolarHBondContact O-N 2.8Å; F305-I326 HydrophobicContact CB-CG2 4.23Å; F305-L329 HydrophobicContact CB-CB 4.24Å; F305-L329 HydrophobicContact CD1-CB 4.13Å; F305-L329 HydrophobicContact CD1-CD1 4.01Å; F305-L329 HydrophobicContact CD2-CB 3.96Å; F305-L329 HydrophobicContact CE1-CB 4.5Å; F305-L329 HydrophobicContact CE1-CD1 3.82Å; F305-L329 HydrophobicContact CE2-CB 4.35Å; F305-L329 HydrophobicContact CG-CB 3.85Å; F305-L329 HydrophobicContact CZ-CD1 4.21Å; F305-Q330 HydrophobicContact CB-CB 4.16Å; F305-Q330 WeakPolarHBondContact O-CB 3.41Å; F305-Q330 VanDerWaalsContact O-CG 3.27Å; F305-Q330 WeakPolarHBondContact O-CG 3.28Å; F305-Q330 PolarHBondContact O-NE2 3.41Å | ||
| 306 | K | 86.4 | Confident | 73.1 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 15% | 0.148 | 36% | 0.363 | C | S | . | . | trans | -92.5 | 102.3 | 174.2 | -70.9 | -179 | -177.1 | 123.8 | 0 | 109.5 | E235 V303 T304 A308 R363 | E235-K306 IonicContact OE1-NZ 3.63Å; E235-K306 PolarHBondContact OE1-NZ 3.14Å; E235-K306 IonicContact OE2-NZ 2.87Å; E235-K306 PolarHBondContact OE2-NZ 2.99Å; V303-K306 WeakPolarHBondContact O-CD 3.32Å; V303-K306 VanDerWaalsContact O-CE 3.26Å; V303-K306 WeakPolarHBondContact O-CE 3.45Å; V303-K306 PolarHBondContact O-NZ 2.94Å; T304-K306 PolarHBondContact O-N 2.81Å; K306-A308 PolarHBondContact O-N 3.03Å; K306-R363 VanDerWaalsContact CE-NH2 3.3Å | ||
| 307 | A | 74.4 | Confident | 70.9 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | trans | -71.8 | 84.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | V309 A323 I326 A327 | A307-V309 PolarHBondContact O-N 3.44Å; A307-V309 VanDerWaalsContact O-N 3.13Å; A307-A323 WeakPolarHBondContact CB-O 3.28Å; A307-I326 HydrophobicContact CB-CB 4.35Å; A307-I326 HydrophobicContact CB-CG2 4.09Å; A307-A327 HydrophobicContact CB-CB 3.86Å | ||
| 308 | A | 62.9 | Low | 69.4 | Low | 57 Ų | 57 | 70 Ų | 70 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | trans | -60.8 | 118.1 | 172 | 0 | 0 | 0 | 0 | 0 | 108.6 | K306 F320 | K306-A308 PolarHBondContact O-N 3.03Å; A308-F320 HydrophobicContact CB-CE2 4.25Å | ||
| 309 | V | 53.1 | Low | 68.1 | Low | 120 Ų | 120 | 74.2 Ų | 74.2 | 73% | 0.727 | 45% | 0.45 | S | S | * | . | trans | -69.7 | 127.8 | 166.1 | -179.3 | 0 | 0 | 0 | 0 | 106.4 | A307 T311 | A307-V309 PolarHBondContact O-N 3.44Å; A307-V309 VanDerWaalsContact O-N 3.13Å; V309-T311 VanDerWaalsContact C-N 3.34Å; V309-T311 PolarHBondContact O-N 3.42Å | ||
| 310 | P | 49.7 | Very low | 67.3 | Low | 111 Ų | 111 | 75 Ų | 75 | 72% | 0.721 | 45% | 0.453 | S | S | * | . | trans | -62.5 | 99.7 | 173.2 | 23.3 | -29.7 | 0 | 0 | 0 | 108.4 | H312 | P310-H312 PolarHBondContact O-N 3.31Š| ||
| 311 | T | 40.1 | Very low | 66.5 | Low | 126 Ų | 126 | 83.9 Ų | 83.9 | 77% | 0.773 | 49% | 0.487 | S | S | * | . | trans | -64.1 | 119.7 | 167.2 | 45 | 0 | 0 | 0 | 0 | 107.2 | V309 G313 | V309-T311 VanDerWaalsContact C-N 3.34Å; V309-T311 PolarHBondContact O-N 3.42Å; T311-G313 PolarHBondContact O-N 2.95Å | ||
| 312 | H | 41.8 | Very low | 66 | Low | 200 Ų | 200 | 86.8 Ų | 86.8 | 93% | 0.926 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -39.1 | 119.3 | -179.7 | -70.2 | -85 | 0 | 0 | 0 | 112.5 | P310 | P310-H312 PolarHBondContact O-N 3.31Š|
| 313 | G | 42.2 | Very low | 65.6 | Low | 79 Ų | 79 | 88.6 Ų | 88.6 | 81% | 0.814 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 132.1 | 83.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T311 | T311-G313 PolarHBondContact O-N 2.95Š|
| 314 | G | 39 | Very low | 65.2 | Low | 84 Ų | 84 | 92.8 Ų | 92.8 | 87% | 0.866 | 55% | 0.547 | S | S | * | . | S | Bend | trans | 104.8 | 8.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 315 | S | 42.3 | Very low | 65 | Low | 94 Ų | 94 | 94.1 Ų | 94.1 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | trans | -137.2 | 82.1 | 170.6 | -153.6 | 0 | 0 | 0 | 0 | 112.6 | L317 | S315-L317 PolarHBondContact O-N 3.17Š| ||
| 316 | E | 46.4 | Very low | 64.9 | Low | 204 Ų | 204 | 94 Ų | 94 | 95% | 0.953 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 9.5 | 178 | -63.8 | -157.3 | 128.4 | 0 | 0 | 114.9 | ||
| 317 | L | 50.8 | Low | 65.1 | Low | 161 Ų | 161 | 94 Ų | 94 | 84% | 0.843 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -6.4 | -169 | -154.7 | 65 | 0 | 0 | 0 | 115.6 | S315 | S315-L317 PolarHBondContact O-N 3.17Š|
| 318 | R | 62.5 | Low | 65.9 | Low | 142 Ų | 142 | 95.4 Ų | 95.4 | 54% | 0.536 | 58% | 0.575 | S | S | . | * | trans | -120.8 | 68.7 | -178.5 | -68.1 | -176.9 | 172.5 | -147.8 | -13.6 | 111.4 | E230 D231 | E230-R318 IonicContact OE2-CZ 2.83Å; E230-R318 IonicContact OE2-NH1 2.81Å; E230-R318 IonicContact OE2-NH2 3.6Å; E230-R318 PolarHBondContact OE2-NH2 3.36Å; D231-R318 IonicContact OD1-NH1 3.55Å | ||
| 319 | S | 69.6 | Low | 67.4 | Low | 96 Ų | 96 | 94.2 Ų | 94.2 | 67% | 0.671 | 56% | 0.561 | S | S | * | * | trans | -104 | 133.1 | 171.7 | -170.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 320 | F | 79.3 | Confident | 69.4 | Low | 17 Ų | 17 | 90.6 Ų | 90.6 | 8% | 0.075 | 54% | 0.536 | C | S | . | . | trans | -70.1 | 138.7 | 172.8 | -65 | -71 | 0 | 0 | 0 | 110 | D224 I227 L228 A308 N322 A323 I326 | D224-F320 HydrophobicContact CB-CD1 4.23Å; I227-F320 HydrophobicContact CB-CE1 3.92Å; I227-F320 HydrophobicContact CG2-CD1 4.37Å; I227-F320 HydrophobicContact CG2-CE1 3.46Å; I227-F320 VanDerWaalsContact CG2-CE1 3.46Å; I227-F320 HydrophobicContact CG2-CZ 3.69Å; L228-F320 HydrophobicContact CD2-CE1 3.7Å; L228-F320 HydrophobicContact CD2-CZ 3.84Å; L228-F320 HydrophobicContact CG-CE1 3.9Å; L228-F320 HydrophobicContact CG-CZ 4.5Å; A308-F320 HydrophobicContact CB-CE2 4.25Å; F320-N322 VanDerWaalsContact C-N 3.28Å; F320-N322 PolarHBondContact O-N 2.73Å; F320-A323 HydrophobicContact CB-CB 4.04Å; F320-I326 HydrophobicContact CB-CD1 3.95Å; F320-I326 HydrophobicContact CD1-CD1 3.47Å; F320-I326 VanDerWaalsContact CD1-CD1 3.47Å; F320-I326 HydrophobicContact CD2-CD1 4.47Å; F320-I326 HydrophobicContact CE1-CD1 4.05Å; F320-I326 HydrophobicContact CG-CD1 3.71Å | ||
| 321 | R | 80.7 | Confident | 71.5 | Confident | 195 Ų | 195 | 89.5 Ų | 89.5 | 74% | 0.736 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -32.8 | 174.3 | -64.1 | -176.7 | 177.2 | -163.7 | -2 | 111.6 | D224 | D224-R321 PolarHBondContact OD1-N 2.94Å; D224-R321 PolarHBondContact OD2-N 3.09Å |
| 322 | N | 84.1 | Confident | 74 | Confident | 66 Ų | 66 | 86.5 Ų | 86.5 | 35% | 0.353 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | 62.3 | -180 | -161 | -9.3 | 0 | 0 | 0 | 112.2 | D224 F320 S324 A325 I326 | D224-N322 PolarHBondContact OD2-N 2.62Å; F320-N322 VanDerWaalsContact C-N 3.28Å; F320-N322 PolarHBondContact O-N 2.73Å; N322-S324 VanDerWaalsContact C-N 3.26Å; N322-S324 PolarHBondContact O-N 3.27Å; N322-S324 PolarHBondContact OD1-OG 2.79Å; N322-A325 HydrophobicContact CB-CB 4.26Å; N322-A325 VanDerWaalsContact ND2-CB 3.29Å; N322-A325 WeakPolarHBondContact ND2-CB 3.48Å; N322-A325 PolarHBondContact O-N 3.26Å; N322-A325 WeakPolarHBondContact OD1-CB 3.43Å; N322-A325 PolarHBondContact OD1-N 2.96Å; N322-A325 VanDerWaalsContact OD1-N 3.15Å; N322-I326 WeakPolarHBondContact O-CG1 3.43Å; N322-I326 PolarHBondContact O-N 3.14Å; N322-I326 VanDerWaalsContact O-N 3.16Å |
| 323 | A | 87.7 | Confident | 76.5 | Confident | 43 Ų | 43 | 77 Ų | 77 | 36% | 0.355 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.6 | -36.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A307 F320 I326 A327 | A307-A323 WeakPolarHBondContact CB-O 3.28Å; F320-A323 HydrophobicContact CB-CB 4.04Å; A323-I326 PolarHBondContact O-N 3.3Å; A323-A327 PolarHBondContact O-N 3.12Å |
| 324 | S | 88.1 | Confident | 79 | Confident | 89 Ų | 89 | 76.1 Ų | 76.1 | 62% | 0.622 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.6 | -42.6 | 179.7 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | N322 I326 A327 A328 | N322-S324 VanDerWaalsContact C-N 3.26Å; N322-S324 PolarHBondContact O-N 3.27Å; N322-S324 PolarHBondContact OD1-OG 2.79Å; S324-I326 VanDerWaalsContact C-N 3.33Å; S324-I326 PolarHBondContact O-N 2.85Å; S324-A327 PolarHBondContact O-N 2.84Å; S324-A328 WeakPolarHBondContact O-CB 3.33Å; S324-A328 PolarHBondContact O-N 3.45Å |
| 325 | A | 89.9 | Confident | 81.6 | Confident | 31 Ų | 31 | 77.4 Ų | 77.4 | 26% | 0.256 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N322 A327 A328 L329 | N322-A325 HydrophobicContact CB-CB 4.26Å; N322-A325 VanDerWaalsContact ND2-CB 3.29Å; N322-A325 WeakPolarHBondContact ND2-CB 3.48Å; N322-A325 PolarHBondContact O-N 3.26Å; N322-A325 WeakPolarHBondContact OD1-CB 3.43Å; N322-A325 PolarHBondContact OD1-N 2.96Å; N322-A325 VanDerWaalsContact OD1-N 3.15Å; A325-A327 VanDerWaalsContact C-N 3.34Å; A325-A327 PolarHBondContact O-N 3.39Å; A325-A328 PolarHBondContact O-N 2.91Å; A325-L329 VanDerWaalsContact O-CG 3.3Å; A325-L329 WeakPolarHBondContact O-CG 3.42Å; A325-L329 PolarHBondContact O-N 3.13Å |
| 326 | I | 91.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.5 | -65.1 | 165.7 | 0 | 0 | 0 | 110.7 | L220 D224 L228 F305 A307 F320 N322 A323 S324 L329 Q330 | L220-I326 HydrophobicContact CD1-CG1 4.22Å; L220-I326 HydrophobicContact CD2-CG1 4.31Å; D224-I326 HydrophobicContact CB-CD1 4.32Å; L228-I326 HydrophobicContact CD1-CD1 4.14Å; L228-I326 HydrophobicContact CD1-CG1 4.33Å; L228-I326 HydrophobicContact CD2-CD1 4.32Å; L228-I326 HydrophobicContact CD2-CG2 3.86Å; F305-I326 HydrophobicContact CB-CG2 4.23Å; A307-I326 HydrophobicContact CB-CB 4.35Å; A307-I326 HydrophobicContact CB-CG2 4.09Å; F320-I326 HydrophobicContact CB-CD1 3.95Å; F320-I326 HydrophobicContact CD1-CD1 3.47Å; F320-I326 VanDerWaalsContact CD1-CD1 3.47Å; F320-I326 HydrophobicContact CD2-CD1 4.47Å; F320-I326 HydrophobicContact CE1-CD1 4.05Å; F320-I326 HydrophobicContact CG-CD1 3.71Å; N322-I326 WeakPolarHBondContact O-CG1 3.43Å; N322-I326 PolarHBondContact O-N 3.14Å; N322-I326 VanDerWaalsContact O-N 3.16Å; A323-I326 PolarHBondContact O-N 3.3Å; S324-I326 VanDerWaalsContact C-N 3.33Å; S324-I326 PolarHBondContact O-N 2.85Å; I326-L329 PolarHBondContact O-N 3.42Å; I326-Q330 PolarHBondContact O-N 2.82Å; I326-Q330 VanDerWaalsContact O-N 3.08Å |
| 327 | A | 91.1 | Very high | 86.4 | Confident | 33 Ų | 33 | 64.7 Ų | 64.7 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A307 A323 S324 A325 L329 Q330 D331 | A307-A327 HydrophobicContact CB-CB 3.86Å; A323-A327 PolarHBondContact O-N 3.12Å; S324-A327 PolarHBondContact O-N 2.84Å; A325-A327 VanDerWaalsContact C-N 3.34Å; A325-A327 PolarHBondContact O-N 3.39Å; A327-L329 VanDerWaalsContact C-N 3.3Å; A327-L329 PolarHBondContact O-N 3.07Å; A327-Q330 WeakPolarHBondContact O-CA 3.46Å; A327-Q330 VanDerWaalsContact O-CB 3.25Å; A327-Q330 WeakPolarHBondContact O-CB 3.39Å; A327-Q330 PolarHBondContact O-N 3.44Å; A327-D331 PolarHBondContact O-N 3.44Å |
| 328 | A | 91.3 | Very high | 88.5 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S324 A325 Q330 D331 E332 | S324-A328 WeakPolarHBondContact O-CB 3.33Å; S324-A328 PolarHBondContact O-N 3.45Å; A325-A328 PolarHBondContact O-N 2.91Å; A328-Q330 VanDerWaalsContact C-N 3.29Å; A328-Q330 PolarHBondContact O-N 3.18Å; A328-D331 PolarHBondContact O-N 2.87Å; A328-E332 WeakPolarHBondContact O-CB 3.31Å; A328-E332 PolarHBondContact O-N 3.11Å |
| 329 | L | 93.9 | Very high | 90 | Very high | 33 Ų | 33 | 56 Ų | 56 | 17% | 0.173 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -32.2 | 174 | -70.9 | 177.6 | 0 | 0 | 0 | 112.6 | A216 L220 F305 A325 I326 A327 A333 | A216-L329 HydrophobicContact CB-CD1 4.2Å; A216-L329 HydrophobicContact CB-CD2 3.67Å; L220-L329 HydrophobicContact CD1-CD1 4.21Å; L220-L329 HydrophobicContact CD2-CD1 4.17Å; L220-L329 HydrophobicContact CG-CD1 4.42Å; F305-L329 HydrophobicContact CB-CB 4.24Å; F305-L329 HydrophobicContact CD1-CB 4.13Å; F305-L329 HydrophobicContact CD1-CD1 4.01Å; F305-L329 HydrophobicContact CD2-CB 3.96Å; F305-L329 HydrophobicContact CE1-CB 4.5Å; F305-L329 HydrophobicContact CE1-CD1 3.82Å; F305-L329 HydrophobicContact CE2-CB 4.35Å; F305-L329 HydrophobicContact CG-CB 3.85Å; F305-L329 HydrophobicContact CZ-CD1 4.21Å; A325-L329 VanDerWaalsContact O-CG 3.3Å; A325-L329 WeakPolarHBondContact O-CG 3.42Å; A325-L329 PolarHBondContact O-N 3.13Å; I326-L329 PolarHBondContact O-N 3.42Å; A327-L329 VanDerWaalsContact C-N 3.3Å; A327-L329 PolarHBondContact O-N 3.07Å; L329-A333 WeakPolarHBondContact O-CB 3.35Å; L329-A333 PolarHBondContact O-N 2.87Å; L329-A333 VanDerWaalsContact O-N 3.15Å |
| 330 | Q | 95.1 | Very high | 91.1 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.2 | -46.9 | 173.7 | -159 | 178.6 | 44 | 0 | 0 | 111.5 | I302 F305 I326 A327 A328 E332 A333 Q334 | I302-Q330 HydrophobicContact CG2-CG 4.41Å; I302-Q330 PolarHBondContact O-NE2 2.63Å; F305-Q330 HydrophobicContact CB-CB 4.16Å; F305-Q330 WeakPolarHBondContact O-CB 3.41Å; F305-Q330 VanDerWaalsContact O-CG 3.27Å; F305-Q330 WeakPolarHBondContact O-CG 3.28Å; F305-Q330 PolarHBondContact O-NE2 3.41Å; I326-Q330 PolarHBondContact O-N 2.82Å; I326-Q330 VanDerWaalsContact O-N 3.08Å; A327-Q330 WeakPolarHBondContact O-CA 3.46Å; A327-Q330 VanDerWaalsContact O-CB 3.25Å; A327-Q330 WeakPolarHBondContact O-CB 3.39Å; A327-Q330 PolarHBondContact O-N 3.44Å; A328-Q330 VanDerWaalsContact C-N 3.29Å; A328-Q330 PolarHBondContact O-N 3.18Å; Q330-E332 VanDerWaalsContact C-N 3.32Å; Q330-E332 PolarHBondContact O-N 2.99Å; Q330-A333 WeakPolarHBondContact O-CB 3.42Å; Q330-A333 PolarHBondContact O-N 3.28Å; Q330-Q334 WeakPolarHBondContact O-CG 3.23Å; Q330-Q334 PolarHBondContact O-N 2.83Å |
| 331 | D | 93.3 | Very high | 91.8 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 47% | 0.465 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 178.2 | -67.1 | -22 | 0 | 0 | 0 | 110.4 | A327 A328 A333 Q334 L335 | A327-D331 PolarHBondContact O-N 3.44Å; A328-D331 PolarHBondContact O-N 2.87Å; D331-A333 VanDerWaalsContact C-N 3.31Å; D331-A333 PolarHBondContact O-N 2.87Å; D331-Q334 WeakPolarHBondContact O-CB 3.24Å; D331-Q334 PolarHBondContact O-N 3.22Å; D331-Q334 VanDerWaalsContact O-N 3.08Å; D331-L335 WeakPolarHBondContact O-CG 3.5Å; D331-L335 PolarHBondContact O-N 2.95Å |
| 332 | E | 92.7 | Very high | 92.3 | Very high | 63 Ų | 63 | 49.4 Ų | 49.4 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 176.4 | -172.3 | 66.5 | -173.9 | 0 | 0 | 112 | L170 A328 Q330 Q334 L335 T336 | L170-E332 HydrophobicContact CD1-CB 4.33Å; L170-E332 HydrophobicContact CD1-CG 3.51Å; A328-E332 WeakPolarHBondContact O-CB 3.31Å; A328-E332 PolarHBondContact O-N 3.11Å; Q330-E332 VanDerWaalsContact C-N 3.32Å; Q330-E332 PolarHBondContact O-N 2.99Å; E332-Q334 VanDerWaalsContact C-N 3.34Å; E332-Q334 PolarHBondContact O-N 3.04Å; E332-L335 PolarHBondContact O-N 3.23Å; E332-T336 VanDerWaalsContact O-CB 3.3Å; E332-T336 WeakPolarHBondContact O-CB 3.42Å; E332-T336 PolarHBondContact O-N 3.28Å; E332-T336 PolarHBondContact O-OG1 3.2Å |
| 333 | A | 94.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C301 I302 L329 Q330 D331 L337 | C301-A333 HydrophobicContact CB-CB 3.7Å; I302-A333 HydrophobicContact CG1-CB 3.76Å; L329-A333 WeakPolarHBondContact O-CB 3.35Å; L329-A333 PolarHBondContact O-N 2.87Å; L329-A333 VanDerWaalsContact O-N 3.15Å; Q330-A333 WeakPolarHBondContact O-CB 3.42Å; Q330-A333 PolarHBondContact O-N 3.28Å; D331-A333 VanDerWaalsContact C-N 3.31Å; D331-A333 PolarHBondContact O-N 2.87Å; A333-L337 WeakPolarHBondContact O-CB 3.39Å; A333-L337 PolarHBondContact O-N 3.48Å; A333-L337 VanDerWaalsContact O-N 3.09Å |
| 334 | Q | 95.1 | Very high | 93 | Very high | 60 Ų | 60 | 57 Ų | 57 | 28% | 0.28 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.3 | -45.2 | 174.7 | -67.7 | -176.1 | 8.9 | 0 | 0 | 112 | I302 Q330 D331 E332 T336 L337 N338 F352 | I302-Q334 HydrophobicContact CD1-CG 3.89Å; I302-Q334 HydrophobicContact CG1-CG 3.95Å; Q330-Q334 WeakPolarHBondContact O-CG 3.23Å; Q330-Q334 PolarHBondContact O-N 2.83Å; D331-Q334 WeakPolarHBondContact O-CB 3.24Å; D331-Q334 PolarHBondContact O-N 3.22Å; D331-Q334 VanDerWaalsContact O-N 3.08Å; E332-Q334 VanDerWaalsContact C-N 3.34Å; E332-Q334 PolarHBondContact O-N 3.04Å; Q334-T336 VanDerWaalsContact C-N 3.33Å; Q334-T336 PolarHBondContact O-N 2.97Å; Q334-L337 PolarHBondContact O-N 3.17Å; Q334-N338 WeakPolarHBondContact O-CB 3.47Å; Q334-N338 PolarHBondContact O-N 2.89Å; Q334-F352 HydrophobicContact CB-CZ 4.42Å; Q334-F352 WeakPolarHBondContact O-CE2 3.49Å |
| 335 | L | 93.9 | Very high | 93.2 | Very high | 111 Ų | 111 | 54.7 Ų | 54.7 | 58% | 0.581 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61 | -44 | 177.1 | -70.7 | 174.8 | 0 | 0 | 0 | 111.2 | D331 E332 L337 N338 S339 | D331-L335 WeakPolarHBondContact O-CG 3.5Å; D331-L335 PolarHBondContact O-N 2.95Å; E332-L335 PolarHBondContact O-N 3.23Å; L335-L337 PolarHBondContact O-N 3.48Å; L335-N338 PolarHBondContact O-N 3.4Å; L335-S339 WeakPolarHBondContact O-CB 3.39Å; L335-S339 PolarHBondContact O-N 3.47Å |
| 336 | T | 93.9 | Very high | 93.3 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 18% | 0.184 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 175.8 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | E332 Q334 N338 S339 Y340 | E332-T336 VanDerWaalsContact O-CB 3.3Å; E332-T336 WeakPolarHBondContact O-CB 3.42Å; E332-T336 PolarHBondContact O-N 3.28Å; E332-T336 PolarHBondContact O-OG1 3.2Å; Q334-T336 VanDerWaalsContact C-N 3.33Å; Q334-T336 PolarHBondContact O-N 2.97Å; T336-N338 PolarHBondContact O-N 2.92Å; T336-S339 PolarHBondContact O-N 3.06Å; T336-Y340 VanDerWaalsContact O-CB 3.31Å; T336-Y340 WeakPolarHBondContact O-CB 3.42Å; T336-Y340 PolarHBondContact O-N 3Å |
| 337 | L | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 177.5 | -178.5 | 58.8 | 0 | 0 | 0 | 111.7 | E295 C298 L299 I302 A333 Q334 L335 Y340 I341 F352 L355 | E295-L337 HydrophobicContact CB-CD1 4.34Å; E295-L337 HydrophobicContact CG-CD1 4.1Å; C298-L337 HydrophobicContact CB-CB 3.86Å; C298-L337 HydrophobicContact CB-CD1 3.91Å; C298-L337 HydrophobicContact CB-CD2 4.41Å; C298-L337 HydrophobicContact CB-CG 4.26Å; L299-L337 HydrophobicContact CD2-CD2 3.86Å; I302-L337 HydrophobicContact CD1-CD2 4Å; A333-L337 WeakPolarHBondContact O-CB 3.39Å; A333-L337 PolarHBondContact O-N 3.48Å; A333-L337 VanDerWaalsContact O-N 3.09Å; Q334-L337 PolarHBondContact O-N 3.17Å; L335-L337 PolarHBondContact O-N 3.48Å; L337-Y340 PolarHBondContact O-N 3.22Å; L337-I341 HydrophobicContact CD1-CD1 3.77Å; L337-I341 HydrophobicContact CD1-CG1 4.19Å; L337-I341 HydrophobicContact CG-CD1 3.81Å; L337-I341 WeakPolarHBondContact O-CB 3.35Å; L337-I341 VanDerWaalsContact O-CG1 3.26Å; L337-I341 WeakPolarHBondContact O-CG1 3.44Å; L337-I341 PolarHBondContact O-N 3.46Å; L337-F352 HydrophobicContact CB-CD2 4.42Å; L337-F352 HydrophobicContact CB-CE2 4.24Å; L337-F352 HydrophobicContact CD2-CD2 4.15Å; L337-F352 HydrophobicContact CD2-CE2 4.18Å; L337-F352 HydrophobicContact CG-CD2 4.01Å; L337-F352 HydrophobicContact CG-CE2 4.22Å; L337-L355 HydrophobicContact CD1-CD1 4.17Å; L337-L355 HydrophobicContact CD2-CD1 4.35Å |
| 338 | N | 95.4 | Very high | 93.5 | Very high | 49 Ų | 49 | 65.9 Ų | 65.9 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | -179.9 | -169.9 | 50.9 | 0 | 0 | 0 | 111.4 | Q334 L335 T336 Y340 I341 H342 F352 | Q334-N338 WeakPolarHBondContact O-CB 3.47Å; Q334-N338 PolarHBondContact O-N 2.89Å; L335-N338 PolarHBondContact O-N 3.4Å; T336-N338 PolarHBondContact O-N 2.92Å; N338-Y340 PolarHBondContact O-N 3.37Å; N338-I341 PolarHBondContact O-N 3.32Å; N338-H342 PolarHBondContact O-CD2 3.37Å; N338-H342 PolarHBondContact O-N 3.25Å; N338-H342 PolarHBondContact OD1-NE2 3.02Å; N338-F352 HydrophobicContact CB-CD2 3.8Å; N338-F352 HydrophobicContact CB-CE2 3.72Å; N338-F352 HydrophobicContact CB-CG 4.24Å; N338-F352 HydrophobicContact CB-CZ 4.08Å; N338-F352 WeakPolarHBondContact OD1-CG 3.38Å |
| 339 | S | 93.3 | Very high | 93.4 | Very high | 71 Ų | 71 | 67.7 Ų | 67.7 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | L335 T336 I341 H342 T343 | L335-S339 WeakPolarHBondContact O-CB 3.39Å; L335-S339 PolarHBondContact O-N 3.47Å; T336-S339 PolarHBondContact O-N 3.06Å; S339-I341 PolarHBondContact O-N 3.48Å; S339-H342 PolarHBondContact O-N 2.95Å; S339-T343 PolarHBondContact O-N 2.8Å; S339-T343 VanDerWaalsContact O-N 3.08Å; S339-T343 PolarHBondContact O-OG1 3.16Å |
| 340 | Y | 93.4 | Very high | 93.4 | Very high | 60 Ų | 60 | 70.1 Ų | 70.1 | 24% | 0.235 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 176.5 | -179.2 | -99 | 0 | 0 | 0 | 111.8 | D292 T294 E295 T336 L337 N338 T343 R344 Y345 | D292-Y340 WeakPolarHBondContact OD2-CE1 3.37Å; D292-Y340 PolarHBondContact OD2-OH 3.4Å; D292-Y340 VanDerWaalsContact OD2-OH 3.1Å; T294-Y340 HydrophobicContact CG2-CD1 4.18Å; T294-Y340 HydrophobicContact CG2-CD2 3.77Å; T294-Y340 HydrophobicContact CG2-CE1 4.19Å; T294-Y340 HydrophobicContact CG2-CE2 3.76Å; T294-Y340 HydrophobicContact CG2-CG 3.98Å; E295-Y340 HydrophobicContact CG-CD1 4.17Å; E295-Y340 HydrophobicContact CG-CE1 4Å; T336-Y340 VanDerWaalsContact O-CB 3.31Å; T336-Y340 WeakPolarHBondContact O-CB 3.42Å; T336-Y340 PolarHBondContact O-N 3Å; L337-Y340 PolarHBondContact O-N 3.22Å; N338-Y340 PolarHBondContact O-N 3.37Å; Y340-T343 PolarHBondContact O-N 3.31Å; Y340-R344 HydrophobicContact CD1-CB 4.39Å; Y340-R344 HydrophobicContact CE1-CB 4.02Å; Y340-R344 HydrophobicContact CE1-CG 4.08Å; Y340-R344 HydrophobicContact CE2-CB 4.35Å; Y340-R344 VanDerWaalsContact O-CB 3.23Å; Y340-R344 WeakPolarHBondContact O-CB 3.34Å; Y340-R344 PolarHBondContact O-N 3.04Å; Y340-Y345 HydrophobicContact CE1-CE2 4.08Å |
| 341 | I | 93.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | -180 | -72.2 | 167.8 | 0 | 0 | 0 | 111.5 | L337 N338 S339 T343 R344 Y345 R351 F352 L355 | L337-I341 HydrophobicContact CD1-CD1 3.77Å; L337-I341 HydrophobicContact CD1-CG1 4.19Å; L337-I341 HydrophobicContact CG-CD1 3.81Å; L337-I341 WeakPolarHBondContact O-CB 3.35Å; L337-I341 VanDerWaalsContact O-CG1 3.26Å; L337-I341 WeakPolarHBondContact O-CG1 3.44Å; L337-I341 PolarHBondContact O-N 3.46Å; N338-I341 PolarHBondContact O-N 3.32Å; S339-I341 PolarHBondContact O-N 3.48Å; I341-T343 PolarHBondContact O-N 3.42Å; I341-R344 PolarHBondContact O-N 3.42Å; I341-Y345 CarbonylContact O-C 3.56Å; I341-Y345 WeakPolarHBondContact O-CA 3.42Å; I341-Y345 PolarHBondContact O-N 2.91Å; I341-R351 HydrophobicContact CD1-CG 4.37Å; I341-R351 HydrophobicContact CG2-CB 3.88Å; I341-R351 HydrophobicContact CG2-CG 4.36Å; I341-F352 HydrophobicContact CD1-CB 3.81Å; I341-F352 HydrophobicContact CD1-CD2 4.14Å; I341-L355 HydrophobicContact CD1-CD1 3.68Å |
| 342 | H | 92.3 | Very high | 93.6 | Very high | 108 Ų | 108 | 66.4 Ų | 66.4 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.5 | -36 | 177.2 | -81.6 | -63 | 0 | 0 | 0 | 112.4 | N338 S339 | N338-H342 PolarHBondContact O-CD2 3.37Å; N338-H342 PolarHBondContact O-N 3.25Å; N338-H342 PolarHBondContact OD1-NE2 3.02Å; S339-H342 PolarHBondContact O-N 2.95Å |
| 343 | T | 93.2 | Very high | 93.7 | Very high | 114 Ų | 114 | 65 Ų | 65 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -79.2 | -44.4 | -179.9 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | S339 Y340 I341 | S339-T343 PolarHBondContact O-N 2.8Å; S339-T343 VanDerWaalsContact O-N 3.08Å; S339-T343 PolarHBondContact O-OG1 3.16Å; Y340-T343 PolarHBondContact O-N 3.31Å; I341-T343 PolarHBondContact O-N 3.42Å |
| 344 | R | 92.5 | Very high | 93.8 | Very high | 154 Ų | 154 | 70.7 Ų | 70.7 | 58% | 0.581 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -87.4 | -32.9 | -172 | -176.3 | 60.7 | -178.6 | 137.3 | -2.3 | 113.6 | Y340 I341 P346 | Y340-R344 HydrophobicContact CD1-CB 4.39Å; Y340-R344 HydrophobicContact CE1-CB 4.02Å; Y340-R344 HydrophobicContact CE1-CG 4.08Å; Y340-R344 HydrophobicContact CE2-CB 4.35Å; Y340-R344 VanDerWaalsContact O-CB 3.23Å; Y340-R344 WeakPolarHBondContact O-CB 3.34Å; Y340-R344 PolarHBondContact O-N 3.04Å; I341-R344 PolarHBondContact O-N 3.42Å; R344-P346 VanDerWaalsContact C-CD 3.41Å |
| 345 | Y | 91.9 | Very high | 93.9 | Very high | 42 Ų | 42 | 67.8 Ų | 67.8 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | trans | -128.3 | 57.7 | -174.8 | -56.1 | -73.9 | 0 | 0 | 0 | 111.9 | D292 E295 Y340 I341 T347 Q348 | D292-Y345 WeakPolarHBondContact OD2-CE2 3.25Å; D292-Y345 PolarHBondContact OD2-OH 3.33Å; E295-Y345 WeakPolarHBondContact OE1-CE2 3.42Å; Y340-Y345 HydrophobicContact CE1-CE2 4.08Å; I341-Y345 CarbonylContact O-C 3.56Å; I341-Y345 WeakPolarHBondContact O-CA 3.42Å; I341-Y345 PolarHBondContact O-N 2.91Å; Y345-T347 PolarHBondContact O-N 2.81Å; Y345-Q348 PolarHBondContact O-N 2.6Å | ||
| 346 | P | 92.3 | Very high | 93.9 | Very high | 96 Ų | 96 | 64.6 Ų | 64.6 | 62% | 0.623 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.8 | -176.4 | 25.5 | -35.4 | 0 | 0 | 0 | 113.4 | R344 Q348 | R344-P346 VanDerWaalsContact C-CD 3.41Å; P346-Q348 VanDerWaalsContact C-N 3.32Å |
| 347 | T | 94.6 | Very high | 94 | Very high | 123 Ų | 123 | 69.8 Ų | 69.8 | 76% | 0.755 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.9 | 177.3 | 58.6 | 0 | 0 | 0 | 0 | 114 | Y345 P349 | Y345-T347 PolarHBondContact O-N 2.81Å; T347-P349 VanDerWaalsContact C-CD 3.42Å; T347-P349 WeakPolarHBondContact O-CD 3.43Å |
| 348 | Q | 92.5 | Very high | 94 | Very high | 80 Ų | 80 | 70.6 Ų | 70.6 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | trans | -121 | 66.1 | -178.7 | -59.1 | -178.6 | 46.7 | 0 | 0 | 111.4 | Y345 P346 C350 R351 | Y345-Q348 PolarHBondContact O-N 2.6Å; P346-Q348 VanDerWaalsContact C-N 3.32Å; Q348-C350 PolarHBondContact O-N 3.06Å; Q348-C350 VanDerWaalsContact O-N 3.11Å; Q348-R351 HydrophobicContact CB-CB 3.94Å; Q348-R351 WeakPolarHBondContact O-CB 3.41Å; Q348-R351 PolarHBondContact O-N 3.4Å | ||
| 349 | P | 88.8 | Confident | 94 | Very high | 93 Ų | 93 | 69.3 Ų | 69.3 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.4 | -173.7 | 25.3 | -35.4 | 0 | 0 | 0 | 113.5 | T347 R351 | T347-P349 VanDerWaalsContact C-CD 3.42Å; T347-P349 WeakPolarHBondContact O-CD 3.43Å; P349-R351 VanDerWaalsContact C-N 3.33Å |
| 350 | C | 95.1 | Very high | 94.1 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.4 | 178.6 | -52 | 0 | 0 | 0 | 0 | 113.9 | Q348 F352 G353 K354 | Q348-C350 PolarHBondContact O-N 3.06Å; Q348-C350 VanDerWaalsContact O-N 3.11Å; C350-F352 PolarHBondContact O-N 2.9Å; C350-G353 PolarHBondContact O-N 3.34Å; C350-K354 WeakPolarHBondContact O-CG 3.1Å; C350-K354 PolarHBondContact O-N 3.49Å |
| 351 | R | 95.5 | Very high | 94.1 | Very high | 10 Ų | 10 | 68.3 Ų | 68.3 | 4% | 0.038 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | -174 | -175.8 | 174 | -178.5 | 82.1 | 3.7 | 112 | L289 R290 E295 I341 Q348 P349 G353 K354 L355 | L289-R351 PolarHBondContact O-NH1 3.47Å; L289-R351 PolarHBondContact O-NH2 3.5Å; R290-R351 PolarHBondContact O-NH2 3.08Å; E295-R351 IonicContact OE1-CZ 3.34Å; E295-R351 IonicContact OE1-NE 2.66Å; E295-R351 PolarHBondContact OE1-NE 3.36Å; E295-R351 IonicContact OE1-NH2 3.2Å; E295-R351 PolarHBondContact OE1-NH2 3.31Å; E295-R351 IonicContact OE2-CZ 3.65Å; E295-R351 IonicContact OE2-NE 3.75Å; E295-R351 IonicContact OE2-NH2 2.73Å; E295-R351 PolarHBondContact OE2-NH2 2.94Å; I341-R351 HydrophobicContact CD1-CG 4.37Å; I341-R351 HydrophobicContact CG2-CB 3.88Å; I341-R351 HydrophobicContact CG2-CG 4.36Å; Q348-R351 HydrophobicContact CB-CB 3.94Å; Q348-R351 WeakPolarHBondContact O-CB 3.41Å; Q348-R351 PolarHBondContact O-N 3.4Å; P349-R351 VanDerWaalsContact C-N 3.33Å; R351-G353 PolarHBondContact O-N 3Å; R351-K354 PolarHBondContact O-N 3.19Å; R351-L355 HydrophobicContact CG-CD1 4.32Å; R351-L355 HydrophobicContact CG-CG 4.43Å; R351-L355 WeakPolarHBondContact O-CG 3.35Å; R351-L355 PolarHBondContact O-N 2.96Å |
| 352 | F | 96.4 | Very high | 94.1 | Very high | 44 Ų | 44 | 68.2 Ų | 68.2 | 19% | 0.193 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -54.8 | -53.7 | 176.4 | 176.8 | -107.5 | 0 | 0 | 0 | 111.9 | Q334 L337 N338 I341 C350 K354 L355 L356 | Q334-F352 HydrophobicContact CB-CZ 4.42Å; Q334-F352 WeakPolarHBondContact O-CE2 3.49Å; L337-F352 HydrophobicContact CB-CD2 4.42Å; L337-F352 HydrophobicContact CB-CE2 4.24Å; L337-F352 HydrophobicContact CD2-CD2 4.15Å; L337-F352 HydrophobicContact CD2-CE2 4.18Å; L337-F352 HydrophobicContact CG-CD2 4.01Å; L337-F352 HydrophobicContact CG-CE2 4.22Å; N338-F352 HydrophobicContact CB-CD2 3.8Å; N338-F352 HydrophobicContact CB-CE2 3.72Å; N338-F352 HydrophobicContact CB-CG 4.24Å; N338-F352 HydrophobicContact CB-CZ 4.08Å; N338-F352 WeakPolarHBondContact OD1-CG 3.38Å; I341-F352 HydrophobicContact CD1-CB 3.81Å; I341-F352 HydrophobicContact CD1-CD2 4.14Å; C350-F352 PolarHBondContact O-N 2.9Å; F352-K354 PolarHBondContact O-N 3.12Å; F352-L355 PolarHBondContact O-N 2.95Å; F352-L356 HydrophobicContact CD1-CD1 4.31Å; F352-L356 HydrophobicContact CE1-CD1 3.6Å; F352-L356 HydrophobicContact CE1-CG 4.44Å; F352-L356 HydrophobicContact CE2-CD1 4.06Å; F352-L356 HydrophobicContact CE2-CG 4.29Å; F352-L356 HydrophobicContact CZ-CD1 3.46Å; F352-L356 VanDerWaalsContact CZ-CD1 3.46Å; F352-L356 HydrophobicContact CZ-CG 4.19Å; F352-L356 PolarHBondContact O-N 3.22Å; F352-L356 VanDerWaalsContact O-N 3.1Å |
| 353 | G | 96 | Very high | 94.2 | Very high | 32 Ų | 32 | 69.3 Ų | 69.3 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C350 R351 L355 L356 L357 | C350-G353 PolarHBondContact O-N 3.34Å; R351-G353 PolarHBondContact O-N 3Å; G353-L355 VanDerWaalsContact C-N 3.33Å; G353-L355 PolarHBondContact O-N 3.37Å; G353-L356 PolarHBondContact O-N 2.87Å; G353-L357 WeakPolarHBondContact O-CB 3.41Å; G353-L357 VanDerWaalsContact O-CG 3.26Å; G353-L357 WeakPolarHBondContact O-CG 3.36Å; G353-L357 PolarHBondContact O-N 3.2Å |
| 354 | K | 95.8 | Very high | 94.1 | Very high | 122 Ų | 122 | 66.4 Ų | 66.4 | 53% | 0.53 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 176.1 | -73.8 | 178.2 | -179.9 | -177.8 | 0 | 112.2 | L289 C350 R351 F352 L357 L358 | L289-K354 HydrophobicContact CD1-CB 4.5Å; L289-K354 HydrophobicContact CD2-CD 4.44Å; C350-K354 WeakPolarHBondContact O-CG 3.1Å; C350-K354 PolarHBondContact O-N 3.49Å; R351-K354 PolarHBondContact O-N 3.19Å; F352-K354 PolarHBondContact O-N 3.12Å; K354-L357 PolarHBondContact O-N 3.25Å; K354-L358 PolarHBondContact O-N 3.11Å |
| 355 | L | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 178.7 | -67.2 | 177 | 0 | 0 | 0 | 111.9 | L289 L291 E295 L299 L337 I341 R351 F352 G353 L357 L358 | L289-L355 HydrophobicContact CD1-CD2 3.91Å; L291-L355 HydrophobicContact CD1-CD2 3.61Å; L291-L355 HydrophobicContact CD2-CD2 3.81Å; L291-L355 HydrophobicContact CG-CD2 3.69Å; E295-L355 HydrophobicContact CG-CD1 4.43Å; L299-L355 HydrophobicContact CD1-CD2 4.46Å; L299-L355 HydrophobicContact CD2-CB 4.24Å; L337-L355 HydrophobicContact CD1-CD1 4.17Å; L337-L355 HydrophobicContact CD2-CD1 4.35Å; I341-L355 HydrophobicContact CD1-CD1 3.68Å; R351-L355 HydrophobicContact CG-CD1 4.32Å; R351-L355 HydrophobicContact CG-CG 4.43Å; R351-L355 WeakPolarHBondContact O-CG 3.35Å; R351-L355 PolarHBondContact O-N 2.96Å; F352-L355 PolarHBondContact O-N 2.95Å; G353-L355 VanDerWaalsContact C-N 3.33Å; G353-L355 PolarHBondContact O-N 3.37Å; L355-L357 VanDerWaalsContact C-N 3.33Å; L355-L357 PolarHBondContact O-N 2.8Å; L355-L358 PolarHBondContact O-N 3.05Å |
| 356 | L | 95.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 58.6 Ų | 58.6 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 177.4 | -66 | -170.7 | 0 | 0 | 0 | 112.4 | I302 F352 G353 L358 L359 P360 | I302-L356 HydrophobicContact CD1-CD2 4.03Å; F352-L356 HydrophobicContact CD1-CD1 4.31Å; F352-L356 HydrophobicContact CE1-CD1 3.6Å; F352-L356 HydrophobicContact CE1-CG 4.44Å; F352-L356 HydrophobicContact CE2-CD1 4.06Å; F352-L356 HydrophobicContact CE2-CG 4.29Å; F352-L356 HydrophobicContact CZ-CD1 3.46Å; F352-L356 VanDerWaalsContact CZ-CD1 3.46Å; F352-L356 HydrophobicContact CZ-CG 4.19Å; F352-L356 PolarHBondContact O-N 3.22Å; F352-L356 VanDerWaalsContact O-N 3.1Å; G353-L356 PolarHBondContact O-N 2.87Å; L356-L358 PolarHBondContact O-N 3.48Å; L356-L359 HydrophobicContact CD2-CD1 3.9Å; L356-L359 WeakPolarHBondContact O-CB 3.17Å; L356-L359 PolarHBondContact O-N 3.11Å; L356-L359 VanDerWaalsContact O-N 3.09Å; L356-P360 WeakPolarHBondContact O-CD 3.27Å |
| 357 | L | 95.8 | Very high | 94.2 | Very high | 140 Ų | 140 | 56.1 Ų | 56.1 | 73% | 0.733 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.4 | -14.7 | 177 | -72.1 | 172 | 0 | 0 | 0 | 113.7 | G353 K354 L355 | G353-L357 WeakPolarHBondContact O-CB 3.41Å; G353-L357 VanDerWaalsContact O-CG 3.26Å; G353-L357 WeakPolarHBondContact O-CG 3.36Å; G353-L357 PolarHBondContact O-N 3.2Å; K354-L357 PolarHBondContact O-N 3.25Å; L355-L357 VanDerWaalsContact C-N 3.33Å; L355-L357 PolarHBondContact O-N 2.8Å |
| 358 | L | 94.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -82.6 | -21.6 | 172 | -68.8 | -178 | 0 | 0 | 0 | 113.3 | R285 F286 L289 K354 L355 L356 A361 | R285-L358 HydrophobicContact CB-CD2 3.9Å; F286-L358 HydrophobicContact CD1-CD1 3.92Å; F286-L358 HydrophobicContact CD2-CD1 4.33Å; F286-L358 HydrophobicContact CE1-CB 4.17Å; F286-L358 HydrophobicContact CE1-CD1 3.82Å; F286-L358 HydrophobicContact CE2-CB 4.03Å; F286-L358 HydrophobicContact CE2-CD1 4.23Å; F286-L358 HydrophobicContact CG-CD1 4.18Å; F286-L358 HydrophobicContact CZ-CB 3.63Å; F286-L358 HydrophobicContact CZ-CD1 3.98Å; F286-L358 HydrophobicContact CZ-CG 4.46Å; L289-L358 HydrophobicContact CD1-CD1 3.45Å; L289-L358 VanDerWaalsContact CD1-CD1 3.45Å; L289-L358 HydrophobicContact CD1-CG 4.42Å; K354-L358 PolarHBondContact O-N 3.11Å; L355-L358 PolarHBondContact O-N 3.05Å; L356-L358 PolarHBondContact O-N 3.48Å; L358-A361 WeakPolarHBondContact O-CB 3.42Å; L358-A361 PolarHBondContact O-N 3.03Å; L358-A361 VanDerWaalsContact O-N 3.08Å |
| 359 | L | 95.1 | Very high | 94.1 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -42.9 | -175.9 | -63.3 | -179.1 | 0 | 0 | 0 | 113.4 | L299 I302 V303 L356 A361 L362 | L299-L359 HydrophobicContact CB-CD2 4.43Å; L299-L359 HydrophobicContact CD2-CD2 3.92Å; L299-L359 HydrophobicContact CD2-CG 4.42Å; I302-L359 HydrophobicContact CB-CD1 4.43Å; I302-L359 HydrophobicContact CG2-CD1 3.57Å; V303-L359 HydrophobicContact CG1-CD2 3.67Å; L356-L359 HydrophobicContact CD2-CD1 3.9Å; L356-L359 WeakPolarHBondContact O-CB 3.17Å; L356-L359 PolarHBondContact O-N 3.11Å; L356-L359 VanDerWaalsContact O-N 3.09Å; L359-A361 PolarHBondContact O-N 3.18Å; L359-L362 HydrophobicContact CD2-CD1 3.83Å; L359-L362 VanDerWaalsContact O-CB 3.31Å; L359-L362 WeakPolarHBondContact O-CB 3.36Å; L359-L362 PolarHBondContact O-N 2.81Å; L359-L362 VanDerWaalsContact O-N 3.16Å |
| 360 | P | 94.4 | Very high | 94.3 | Very high | 89 Ų | 89 | 46 Ų | 46 | 58% | 0.578 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -60 | -33.1 | 176.2 | -24.3 | 35.3 | 0 | 0 | 0 | 113 | L356 L362 R363 | L356-P360 WeakPolarHBondContact O-CD 3.27Å; P360-L362 PolarHBondContact O-N 3.24Å; P360-R363 WeakPolarHBondContact O-CB 3.48Å; P360-R363 PolarHBondContact O-N 3Å; P360-R363 VanDerWaalsContact O-N 3.11Å |
| 361 | A | 94.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 44 Ų | 44 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -68.2 | -21.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V282 L358 L359 R363 S364 | V282-A361 HydrophobicContact CG2-CB 3.83Å; V282-A361 VanDerWaalsContact CG2-O 3.3Å; V282-A361 WeakPolarHBondContact CG2-O 3.44Å; L358-A361 WeakPolarHBondContact O-CB 3.42Å; L358-A361 PolarHBondContact O-N 3.03Å; L358-A361 VanDerWaalsContact O-N 3.08Å; L359-A361 PolarHBondContact O-N 3.18Å; A361-R363 PolarHBondContact O-N 3.43Å; A361-R363 VanDerWaalsContact O-N 3.11Å; A361-S364 VanDerWaalsContact O-CB 3.24Å; A361-S364 WeakPolarHBondContact O-CB 3.44Å; A361-S364 PolarHBondContact O-N 2.92Å; A361-S364 PolarHBondContact O-OG 3.33Å |
| 362 | L | 94.3 | Very high | 94 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -61.4 | -17.5 | 172.6 | -61.1 | 172.3 | 0 | 0 | 0 | 113.1 | E235 V238 L239 V282 F286 V303 L359 P360 | E235-L362 HydrophobicContact CB-CB 4.16Å; E235-L362 HydrophobicContact CB-CD1 4.25Å; E235-L362 HydrophobicContact CG-CB 3.94Å; V238-L362 HydrophobicContact CB-CD2 4.05Å; V238-L362 HydrophobicContact CG1-CD2 3.57Å; L239-L362 HydrophobicContact CD1-CD1 4.01Å; L239-L362 HydrophobicContact CD2-CD1 4.01Å; L239-L362 HydrophobicContact CD2-CD2 4.01Å; L239-L362 HydrophobicContact CG-CD1 3.77Å; L239-L362 HydrophobicContact CG-CD2 3.98Å; V282-L362 HydrophobicContact CG1-CD2 4Å; F286-L362 HydrophobicContact CE2-CD2 3.56Å; F286-L362 HydrophobicContact CE2-CG 4.29Å; F286-L362 HydrophobicContact CZ-CD2 3.99Å; F286-L362 HydrophobicContact CZ-CG 4.42Å; V303-L362 HydrophobicContact CG1-CD1 3.95Å; L359-L362 HydrophobicContact CD2-CD1 3.83Å; L359-L362 VanDerWaalsContact O-CB 3.31Å; L359-L362 WeakPolarHBondContact O-CB 3.36Å; L359-L362 PolarHBondContact O-N 2.81Å; L359-L362 VanDerWaalsContact O-N 3.16Å; P360-L362 PolarHBondContact O-N 3.24Å |
| 363 | R | 92.3 | Very high | 93.6 | Very high | 131 Ų | 131 | 43.2 Ų | 43.2 | 49% | 0.494 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -95.2 | 2.8 | 177.8 | -57.1 | -179.4 | 175.7 | 173.1 | 0 | 113.7 | E235 K306 P360 A361 V365 | E235-R363 HydrophobicContact CG-CG 4.15Å; E235-R363 IonicContact OE1-CZ 3.34Å; E235-R363 IonicContact OE1-NE 2.84Å; E235-R363 PolarHBondContact OE1-NE 3.08Å; E235-R363 IonicContact OE1-NH2 3.93Å; E235-R363 IonicContact OE2-NE 3.76Å; K306-R363 VanDerWaalsContact CE-NH2 3.3Å; P360-R363 WeakPolarHBondContact O-CB 3.48Å; P360-R363 PolarHBondContact O-N 3Å; P360-R363 VanDerWaalsContact O-N 3.11Å; A361-R363 PolarHBondContact O-N 3.43Å; A361-R363 VanDerWaalsContact O-N 3.11Å; R363-V365 PolarHBondContact O-N 3.07Å |
| 364 | S | 91.9 | Very high | 93.3 | Very high | 52 Ų | 52 | 41.9 Ų | 41.9 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -66.9 | -16 | 179.1 | 59 | 0 | 0 | 0 | 0 | 113.8 | A361 | A361-S364 VanDerWaalsContact O-CB 3.24Å; A361-S364 WeakPolarHBondContact O-CB 3.44Å; A361-S364 PolarHBondContact O-N 2.92Å; A361-S364 PolarHBondContact O-OG 3.33Å |
| 365 | V | 92.6 | Very high | 93 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -110.5 | 130.1 | 178.3 | -168 | 0 | 0 | 0 | 0 | 108.8 | E275 L279 R363 T369 I370 | E275-V365 HydrophobicContact CB-CG1 4.35Å; L279-V365 HydrophobicContact CB-CG2 3.69Å; L279-V365 HydrophobicContact CD1-CG2 4.17Å; L279-V365 HydrophobicContact CG-CG2 4.43Å; R363-V365 PolarHBondContact O-N 3.07Å; V365-T369 HydrophobicContact CG1-CG2 4.15Å; V365-I370 HydrophobicContact CB-CD1 4.46Å; V365-I370 HydrophobicContact CB-CG1 4.48Å; V365-I370 HydrophobicContact CG1-CD1 4.22Å; V365-I370 HydrophobicContact CG1-CG1 3.72Å |
| 366 | S | 93.4 | Very high | 92.6 | Very high | 28 Ų | 28 | 39.6 Ų | 39.6 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | trans | -72.6 | 148.8 | 179 | 70.8 | 0 | 0 | 0 | 0 | 111.4 | E275 S368 T369 I370 | E275-S366 PolarHBondContact OE1-OG 2.95Å; E275-S366 VanDerWaalsContact OE2-CB 3.28Å; E275-S366 WeakPolarHBondContact OE2-CB 3.22Å; E275-S366 PolarHBondContact OE2-N 3.39Å; E275-S366 PolarHBondContact OE2-OG 3.27Å; S366-S368 PolarHBondContact O-N 3.19Å; S366-S368 PolarHBondContact OG-OG 3Å; S366-T369 PolarHBondContact O-N 3.43Å; S366-T369 WeakPolarHBondContact OG-CB 3.4Å; S366-T369 PolarHBondContact OG-N 3.12Å; S366-T369 VanDerWaalsContact OG-N 3.12Å; S366-T369 PolarHBondContact OG-OG1 3.13Å; S366-I370 PolarHBondContact O-N 2.87Å | ||
| 367 | P | 93.4 | Very high | 92 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 29% | 0.292 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -51.9 | -41.5 | 171 | -26.2 | 33.9 | 0 | 0 | 0 | 112.8 | W233 T369 I370 E371 | W233-P367 HydrophobicContact CH2-CB 4.32Å; W233-P367 HydrophobicContact CZ2-CB 3.74Å; P367-T369 PolarHBondContact O-N 3.47Å; P367-I370 PolarHBondContact O-N 2.95Å; P367-E371 VanDerWaalsContact O-CG 3.32Å; P367-E371 WeakPolarHBondContact O-CG 3.39Å; P367-E371 PolarHBondContact O-N 3.46Å |
| 368 | S | 92.1 | Very high | 91.3 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 51% | 0.51 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 179.4 | 38.5 | 0 | 0 | 0 | 0 | 113.1 | S366 E371 E372 | S366-S368 PolarHBondContact O-N 3.19Å; S366-S368 PolarHBondContact OG-OG 3Å; S368-E371 PolarHBondContact O-N 3.1Å; S368-E372 VanDerWaalsContact O-CB 3.27Å; S368-E372 WeakPolarHBondContact O-CB 3.13Å; S368-E372 PolarHBondContact O-N 3.34Å |
| 369 | T | 92.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.055 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68 | -41.4 | 176.8 | -65.3 | 0 | 0 | 0 | 0 | 111.1 | I272 E275 V365 S366 P367 E371 E372 V373 | I272-T369 HydrophobicContact CG1-CG2 4.47Å; I272-T369 HydrophobicContact CG2-CG2 4.21Å; E275-T369 HydrophobicContact CB-CG2 3.94Å; E275-T369 WeakPolarHBondContact OE2-CB 3.34Å; E275-T369 PolarHBondContact OE2-OG1 2.9Å; V365-T369 HydrophobicContact CG1-CG2 4.15Å; S366-T369 PolarHBondContact O-N 3.43Å; S366-T369 WeakPolarHBondContact OG-CB 3.4Å; S366-T369 PolarHBondContact OG-N 3.12Å; S366-T369 VanDerWaalsContact OG-N 3.12Å; S366-T369 PolarHBondContact OG-OG1 3.13Å; P367-T369 PolarHBondContact O-N 3.47Å; T369-E371 VanDerWaalsContact C-N 3.32Å; T369-E371 PolarHBondContact O-N 3.23Å; T369-E372 PolarHBondContact O-N 3.34Å; T369-V373 HydrophobicContact CG2-CG2 4.07Å; T369-V373 WeakPolarHBondContact O-CB 3.33Å; T369-V373 VanDerWaalsContact O-CG2 3.25Å; T369-V373 WeakPolarHBondContact O-CG2 3.44Å; T369-V373 PolarHBondContact O-N 3.15Å |
| 370 | I | 93.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 175.4 | -67.3 | 170.4 | 0 | 0 | 0 | 110.3 | W233 R234 F237 V238 V365 S366 P367 F374 F375 | W233-I370 HydrophobicContact CH2-CB 4.32Å; W233-I370 HydrophobicContact CH2-CG2 4.07Å; W233-I370 HydrophobicContact CZ3-CB 4.45Å; W233-I370 HydrophobicContact CZ3-CG2 3.78Å; R234-I370 HydrophobicContact CB-CD1 4.04Å; F237-I370 HydrophobicContact CD1-CD1 4.32Å; F237-I370 HydrophobicContact CD1-CG2 3.62Å; F237-I370 HydrophobicContact CE1-CG2 3.55Å; F237-I370 HydrophobicContact CZ-CG2 4.46Å; V238-I370 HydrophobicContact CG2-CD1 4.22Å; V365-I370 HydrophobicContact CB-CD1 4.46Å; V365-I370 HydrophobicContact CB-CG1 4.48Å; V365-I370 HydrophobicContact CG1-CD1 4.22Å; V365-I370 HydrophobicContact CG1-CG1 3.72Å; S366-I370 PolarHBondContact O-N 2.87Å; P367-I370 PolarHBondContact O-N 2.95Å; I370-F374 HydrophobicContact CG2-CD2 4.19Å; I370-F374 WeakPolarHBondContact O-CB 3.29Å; I370-F374 PolarHBondContact O-N 2.98Å; I370-F375 HydrophobicContact CG2-CD2 4.07Å; I370-F375 HydrophobicContact CG2-CE2 3.69Å |
| 371 | E | 93.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 44.3 Ų | 44.3 | 19% | 0.192 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -59.8 | -49.7 | 176.8 | -75.1 | 174.5 | 177.9 | 0 | 0 | 112.2 | W233 P367 S368 T369 V373 F375 K376 P383 I384 | W233-E371 HydrophobicContact CH2-CG 4.12Å; P367-E371 VanDerWaalsContact O-CG 3.32Å; P367-E371 WeakPolarHBondContact O-CG 3.39Å; P367-E371 PolarHBondContact O-N 3.46Å; S368-E371 PolarHBondContact O-N 3.1Å; T369-E371 VanDerWaalsContact C-N 3.32Å; T369-E371 PolarHBondContact O-N 3.23Å; E371-V373 PolarHBondContact O-N 2.72Å; E371-F375 CarbonylContact O-C 3.59Å; E371-F375 WeakPolarHBondContact O-CA 3.39Å; E371-F375 PolarHBondContact O-N 2.98Å; E371-K376 PolarHBondContact O-N 3.22Å; E371-P383 WeakPolarHBondContact OE1-CA 3.24Å; E371-I384 HydrophobicContact CG-CG1 3.85Å; E371-I384 PolarHBondContact OE1-N 3.17Å |
| 372 | E | 89.4 | Confident | 89.4 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -61.7 | -45 | -179 | -175.2 | 69.8 | -147.3 | 0 | 0 | 111.9 | M259 R268 I272 S368 T369 K376 | M259-E372 HydrophobicContact CE-CG 3.84Å; M259-E372 HydrophobicContact SD-CG 4.42Å; R268-E372 IonicContact NH2-OE2 3.63Å; I272-E372 HydrophobicContact CD1-CG 4.04Å; S368-E372 VanDerWaalsContact O-CB 3.27Å; S368-E372 WeakPolarHBondContact O-CB 3.13Å; S368-E372 PolarHBondContact O-N 3.34Å; T369-E372 PolarHBondContact O-N 3.34Å; E372-K376 HydrophobicContact CG-CD 4.47Å; E372-K376 WeakPolarHBondContact O-CB 3.28Å; E372-K376 WeakPolarHBondContact OE1-CD 3.5Å; E372-K376 WeakPolarHBondContact OE1-CE 3.39Å; E372-K376 IonicContact OE1-NZ 3.83Å; E372-K376 PolarHBondContact OE1-NZ 2.95Å; E372-K376 WeakPolarHBondContact OE2-CD 3.08Å; E372-K376 IonicContact OE2-NZ 2.91Å; E372-K376 PolarHBondContact OE2-NZ 2.86Å |
| 373 | V | 88.9 | Confident | 89.1 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -79.7 | -46.6 | -173.8 | 174.7 | 0 | 0 | 0 | 0 | 112.2 | L253 I272 I276 T369 E371 | L253-V373 HydrophobicContact CB-CG1 3.87Å; L253-V373 HydrophobicContact CD1-CG1 4.16Å; L253-V373 HydrophobicContact CD2-CG1 4.03Å; L253-V373 HydrophobicContact CG-CG1 4.24Å; I272-V373 HydrophobicContact CG2-CG2 3.88Å; I276-V373 HydrophobicContact CD1-CG2 3.99Å; I276-V373 HydrophobicContact CG1-CG2 4.32Å; T369-V373 HydrophobicContact CG2-CG2 4.07Å; T369-V373 WeakPolarHBondContact O-CB 3.33Å; T369-V373 VanDerWaalsContact O-CG2 3.25Å; T369-V373 WeakPolarHBondContact O-CG2 3.44Å; T369-V373 PolarHBondContact O-N 3.15Å; E371-V373 PolarHBondContact O-N 2.72Å |
| 374 | F | 89.8 | Confident | 89 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -98.5 | -30.7 | -169.8 | -67.7 | -82.1 | 0 | 0 | 0 | 113.8 | V196 C197 A200 F237 I241 L253 L279 I370 | V196-F374 HydrophobicContact CG1-CD1 4.05Å; V196-F374 HydrophobicContact CG1-CE1 3.89Å; C197-F374 WeakPolarHBondContact CA-O 3.3Å; C197-F374 WeakPolarHBondContact CB-O 3.35Å; C197-F374 PolarHBondContact SG-O 2.97Å; A200-F374 HydrophobicContact CB-CB 3.83Å; A200-F374 HydrophobicContact CB-CD1 3.8Å; A200-F374 HydrophobicContact CB-CG 4.18Å; F237-F374 AromaticContact CE1-CD2 3.93Å; F237-F374 HydrophobicContact CE1-CD2 3.93Å; F237-F374 HydrophobicContact CE1-CE2 4.24Å; F237-F374 HydrophobicContact CE1-CG 4.12Å; F237-F374 HydrophobicContact CZ-CB 4.26Å; F237-F374 HydrophobicContact CZ-CD1 4.25Å; F237-F374 HydrophobicContact CZ-CD2 4.3Å; F237-F374 HydrophobicContact CZ-CG 4.01Å; I241-F374 HydrophobicContact CD1-CE1 4.27Å; I241-F374 HydrophobicContact CD1-CE2 4.29Å; I241-F374 HydrophobicContact CD1-CZ 3.88Å; L253-F374 HydrophobicContact CD1-CZ 3.93Å; L253-F374 HydrophobicContact CD2-CD1 4.34Å; L253-F374 HydrophobicContact CD2-CE1 3.56Å; L253-F374 HydrophobicContact CD2-CZ 3.78Å; L279-F374 HydrophobicContact CD2-CE2 3.9Å; L279-F374 HydrophobicContact CD2-CZ 3.92Å; I370-F374 HydrophobicContact CG2-CD2 4.19Å; I370-F374 WeakPolarHBondContact O-CB 3.29Å; I370-F374 PolarHBondContact O-N 2.98Å |
| 375 | F | 90.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -116.7 | -24.6 | -164.7 | -63.4 | -78.7 | 0 | 0 | 0 | 114.4 | A200 L204 F237 I370 E371 K377 T378 I379 I384 | A200-F375 HydrophobicContact CB-CE1 4.28Å; A200-F375 HydrophobicContact CB-CZ 4.14Å; L204-F375 HydrophobicContact CB-CE1 4.24Å; L204-F375 HydrophobicContact CB-CZ 4.1Å; L204-F375 HydrophobicContact CD2-CE1 3.93Å; L204-F375 HydrophobicContact CD2-CZ 4Å; F237-F375 HydrophobicContact CD2-CE2 4.49Å; F237-F375 HydrophobicContact CD2-CZ 4.1Å; F237-F375 HydrophobicContact CE1-CE2 4.12Å; F237-F375 HydrophobicContact CE1-CZ 4.49Å; F237-F375 AromaticContact CE2-CE2 3.97Å; F237-F375 HydrophobicContact CE2-CE2 3.97Å; F237-F375 AromaticContact CE2-CZ 3.52Å; F237-F375 HydrophobicContact CE2-CZ 3.52Å; F237-F375 AromaticContact CZ-CE2 3.76Å; F237-F375 HydrophobicContact CZ-CE2 3.76Å; F237-F375 AromaticContact CZ-CZ 3.75Å; F237-F375 HydrophobicContact CZ-CZ 3.75Å; I370-F375 HydrophobicContact CG2-CD2 4.07Å; I370-F375 HydrophobicContact CG2-CE2 3.69Å; E371-F375 CarbonylContact O-C 3.59Å; E371-F375 WeakPolarHBondContact O-CA 3.39Å; E371-F375 PolarHBondContact O-N 2.98Å; F375-K377 VanDerWaalsContact C-N 3.27Å; F375-K377 PolarHBondContact O-N 2.9Å; F375-K377 VanDerWaalsContact O-N 3.13Å; F375-T378 WeakPolarHBondContact O-CA 3.24Å; F375-T378 WeakPolarHBondContact O-CB 3.49Å; F375-T378 PolarHBondContact O-N 3.35Å; F375-I379 HydrophobicContact CB-CD1 3.76Å; F375-I379 HydrophobicContact CB-CG1 3.98Å; F375-I379 WeakPolarHBondContact O-CG1 3.22Å; F375-I379 PolarHBondContact O-N 3.33Å; F375-I384 HydrophobicContact CB-CD1 4.37Å; F375-I384 HydrophobicContact CD1-CD1 4.02Å; F375-I384 HydrophobicContact CD2-CD1 4.26Å; F375-I384 HydrophobicContact CD2-CG1 4.39Å; F375-I384 HydrophobicContact CE1-CD1 4.35Å; F375-I384 HydrophobicContact CG-CD1 3.96Å |
| 376 | K | 87.2 | Confident | 88.6 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -54 | -39.6 | -173.7 | -173.5 | 169.7 | -175.3 | 171 | 0 | 114.1 | E371 E372 T378 G380 N381 | E371-K376 PolarHBondContact O-N 3.22Å; E372-K376 HydrophobicContact CG-CD 4.47Å; E372-K376 WeakPolarHBondContact O-CB 3.28Å; E372-K376 WeakPolarHBondContact OE1-CD 3.5Å; E372-K376 WeakPolarHBondContact OE1-CE 3.39Å; E372-K376 IonicContact OE1-NZ 3.83Å; E372-K376 PolarHBondContact OE1-NZ 2.95Å; E372-K376 WeakPolarHBondContact OE2-CD 3.08Å; E372-K376 IonicContact OE2-NZ 2.91Å; E372-K376 PolarHBondContact OE2-NZ 2.86Å; K376-T378 VanDerWaalsContact C-N 3.28Å; K376-T378 PolarHBondContact O-N 3.02Å; K376-G380 WeakPolarHBondContact O-CA 3.3Å; K376-G380 PolarHBondContact O-N 3.3Å; K376-N381 WeakPolarHBondContact CE-OD1 3.35Å |
| 377 | K | 82.3 | Confident | 88.3 | Confident | 127 Ų | 127 | 51.9 Ų | 51.9 | 55% | 0.552 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.8 | -28.5 | 175.5 | -73 | -165.9 | 177 | 174.6 | 0 | 113.4 | V256 S257 F375 | V256-K377 WeakPolarHBondContact O-CD 3.4Å; V256-K377 WeakPolarHBondContact O-CE 3.43Å; V256-K377 PolarHBondContact O-NZ 3.02Å; S257-K377 VanDerWaalsContact C-CE 3.4Å; S257-K377 WeakPolarHBondContact O-CE 3.04Å; F375-K377 VanDerWaalsContact C-N 3.27Å; F375-K377 PolarHBondContact O-N 2.9Å; F375-K377 VanDerWaalsContact O-N 3.13Å |
| 378 | T | 81.8 | Confident | 88.1 | Confident | 67 Ų | 67 | 49.9 Ų | 49.9 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -91.2 | -44.3 | -174.8 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | F375 K376 | F375-T378 WeakPolarHBondContact O-CA 3.24Å; F375-T378 WeakPolarHBondContact O-CB 3.49Å; F375-T378 PolarHBondContact O-N 3.35Å; K376-T378 VanDerWaalsContact C-N 3.28Å; K376-T378 PolarHBondContact O-N 3.02Å |
| 379 | I | 82.8 | Confident | 87.8 | Confident | 37 Ų | 37 | 47.5 Ų | 47.5 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -115.2 | -5.7 | -173 | 69.8 | 179.2 | 0 | 0 | 0 | 113.9 | F375 V382 I384 L387 | F375-I379 HydrophobicContact CB-CD1 3.76Å; F375-I379 HydrophobicContact CB-CG1 3.98Å; F375-I379 WeakPolarHBondContact O-CG1 3.22Å; F375-I379 PolarHBondContact O-N 3.33Å; I379-V382 WeakPolarHBondContact CD1-O 3.01Å; I379-I384 HydrophobicContact CD1-CD1 3.42Å; I379-I384 VanDerWaalsContact CD1-CD1 3.42Å; I379-I384 HydrophobicContact CD1-CG1 4.26Å; I379-L387 HydrophobicContact CB-CD1 4.11Å; I379-L387 HydrophobicContact CD1-CD1 3.64Å; I379-L387 HydrophobicContact CG1-CD1 4.43Å; I379-L387 HydrophobicContact CG2-CD1 3.98Å |
| 380 | G | 84.1 | Confident | 87.4 | Confident | 35 Ų | 35 | 52 Ų | 52 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | trans | 73.7 | -145 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K376 V382 | K376-G380 WeakPolarHBondContact O-CA 3.3Å; K376-G380 PolarHBondContact O-N 3.3Å; G380-V382 PolarHBondContact O-N 3.19Å | ||
| 381 | N | 84.4 | Confident | 87.1 | Confident | 143 Ų | 143 | 53.8 Ų | 53.8 | 77% | 0.765 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -88.4 | 23.6 | -177.9 | -61.2 | -27 | 0 | 0 | 0 | 113.1 | K376 | K376-N381 WeakPolarHBondContact CE-OD1 3.35Š|
| 382 | V | 86.9 | Confident | 86.8 | Confident | 63 Ų | 63 | 52.5 Ų | 52.5 | 38% | 0.382 | 27% | 0.272 | S | S | . | . | trans | -87.9 | 121.8 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | I379 G380 R386 L387 | I379-V382 WeakPolarHBondContact CD1-O 3.01Å; G380-V382 PolarHBondContact O-N 3.19Å; V382-R386 HydrophobicContact CG1-CB 4.32Å; V382-L387 HydrophobicContact CG1-CD1 4.32Å; V382-L387 HydrophobicContact CG1-CD2 3.86Å; V382-L387 HydrophobicContact CG1-CG 3.94Å | ||
| 383 | P | 87.7 | Confident | 86.5 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | trans | -68.1 | 143.4 | 179.3 | 28 | -34.2 | 0 | 0 | 0 | 110.7 | E371 T385 R386 | E371-P383 WeakPolarHBondContact OE1-CA 3.24Å; P383-T385 PolarHBondContact O-N 3.11Å; P383-R386 HydrophobicContact CG-CB 4.33Å; P383-R386 HydrophobicContact CG-CG 3.69Å; P383-R386 WeakPolarHBondContact O-CB 3.13Å; P383-R386 PolarHBondContact O-N 3.14Å | ||
| 384 | I | 90.1 | Very high | 85.8 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -36.7 | -176.3 | -70 | -65.4 | 0 | 0 | 0 | 111 | L204 W233 E371 F375 I379 R386 L387 L388 | L204-I384 HydrophobicContact CD1-CG2 4.43Å; L204-I384 HydrophobicContact CD2-CD1 3.69Å; L204-I384 HydrophobicContact CD2-CG1 4.43Å; L204-I384 HydrophobicContact CD2-CG2 3.84Å; W233-I384 HydrophobicContact CD2-CB 4.37Å; W233-I384 HydrophobicContact CD2-CG2 3.79Å; W233-I384 HydrophobicContact CE3-CB 4.39Å; W233-I384 HydrophobicContact CE3-CG2 3.83Å; W233-I384 HydrophobicContact CG-CG2 4.28Å; W233-I384 HydrophobicContact CH2-CB 3.97Å; W233-I384 HydrophobicContact CH2-CG1 4Å; W233-I384 HydrophobicContact CH2-CG2 4.32Å; W233-I384 HydrophobicContact CZ2-CB 3.92Å; W233-I384 HydrophobicContact CZ2-CG1 4.44Å; W233-I384 HydrophobicContact CZ2-CG2 4.27Å; W233-I384 HydrophobicContact CZ3-CB 4.21Å; W233-I384 HydrophobicContact CZ3-CG1 4.13Å; W233-I384 HydrophobicContact CZ3-CG2 4.12Å; E371-I384 HydrophobicContact CG-CG1 3.85Å; E371-I384 PolarHBondContact OE1-N 3.17Å; F375-I384 HydrophobicContact CB-CD1 4.37Å; F375-I384 HydrophobicContact CD1-CD1 4.02Å; F375-I384 HydrophobicContact CD2-CD1 4.26Å; F375-I384 HydrophobicContact CD2-CG1 4.39Å; F375-I384 HydrophobicContact CE1-CD1 4.35Å; F375-I384 HydrophobicContact CG-CD1 3.96Å; I379-I384 HydrophobicContact CD1-CD1 3.42Å; I379-I384 VanDerWaalsContact CD1-CD1 3.42Å; I379-I384 HydrophobicContact CD1-CG1 4.26Å; I384-R386 PolarHBondContact O-N 3.25Å; I384-R386 VanDerWaalsContact O-N 3.12Å; I384-L387 HydrophobicContact CD1-CD1 4.48Å; I384-L387 CarbonylContact O-C 3.58Å; I384-L387 WeakPolarHBondContact O-CA 3.49Å; I384-L387 WeakPolarHBondContact O-CB 3.41Å; I384-L387 PolarHBondContact O-N 3.43Å; I384-L388 HydrophobicContact CG2-CD1 4.48Å; I384-L388 HydrophobicContact CG2-CD2 4.01Å; I384-L388 HydrophobicContact CG2-CG 4.01Å; I384-L388 WeakPolarHBondContact O-CG 3.28Å; I384-L388 PolarHBondContact O-N 3.19Å |
| 385 | T | 89.3 | Confident | 84.4 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54 | -33.6 | 177.7 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | P383 | P383-T385 PolarHBondContact O-N 3.11Å |
| 386 | R | 87.6 | Confident | 82.6 | Confident | 193 Ų | 193 | 65.4 Ų | 65.4 | 73% | 0.728 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -74 | -27.8 | 176 | -67.1 | -72.9 | -178.8 | 160.5 | -0.6 | 112.9 | V382 P383 I384 | V382-R386 HydrophobicContact CG1-CB 4.32Å; P383-R386 HydrophobicContact CG-CB 4.33Å; P383-R386 HydrophobicContact CG-CG 3.69Å; P383-R386 WeakPolarHBondContact O-CB 3.13Å; P383-R386 PolarHBondContact O-N 3.14Å; I384-R386 PolarHBondContact O-N 3.25Å; I384-R386 VanDerWaalsContact O-N 3.12Å |
| 387 | L | 88.1 | Confident | 80.2 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 23% | 0.225 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -86.8 | -24.9 | -179.5 | -59.7 | -178.6 | 0 | 0 | 0 | 112.5 | I379 V382 I384 S389 D390 M391 | I379-L387 HydrophobicContact CB-CD1 4.11Å; I379-L387 HydrophobicContact CD1-CD1 3.64Å; I379-L387 HydrophobicContact CG1-CD1 4.43Å; I379-L387 HydrophobicContact CG2-CD1 3.98Å; V382-L387 HydrophobicContact CG1-CD1 4.32Å; V382-L387 HydrophobicContact CG1-CD2 3.86Å; V382-L387 HydrophobicContact CG1-CG 3.94Å; I384-L387 HydrophobicContact CD1-CD1 4.48Å; I384-L387 CarbonylContact O-C 3.58Å; I384-L387 WeakPolarHBondContact O-CA 3.49Å; I384-L387 WeakPolarHBondContact O-CB 3.41Å; I384-L387 PolarHBondContact O-N 3.43Å; L387-S389 VanDerWaalsContact C-N 3.33Å; L387-S389 PolarHBondContact O-N 2.87Å; L387-D390 PolarHBondContact O-N 3.44Å; L387-D390 VanDerWaalsContact O-N 3.14Å; L387-M391 HydrophobicContact CB-SD 4.22Å; L387-M391 WeakPolarHBondContact O-CB 3.39Å; L387-M391 VanDerWaalsContact O-CG 3.28Å; L387-M391 WeakPolarHBondContact O-CG 3.49Å; L387-M391 PolarHBondContact O-N 2.99Å |
| 388 | L | 88.6 | Confident | 80.1 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.6 | -44.2 | -175.9 | -74.3 | 176.4 | 0 | 0 | 0 | 112.8 | I208 E230 W233 I384 D390 M391 Y392 | I208-L388 HydrophobicContact CD1-CD2 3.64Å; I208-L388 HydrophobicContact CG1-CD2 4.2Å; E230-L388 HydrophobicContact CB-CD1 4.42Å; E230-L388 HydrophobicContact CG-CD1 4.04Å; W233-L388 HydrophobicContact CB-CD1 3.96Å; W233-L388 HydrophobicContact CB-CD2 4.25Å; W233-L388 HydrophobicContact CG-CD1 4.01Å; I384-L388 HydrophobicContact CG2-CD1 4.48Å; I384-L388 HydrophobicContact CG2-CD2 4.01Å; I384-L388 HydrophobicContact CG2-CG 4.01Å; I384-L388 WeakPolarHBondContact O-CG 3.28Å; I384-L388 PolarHBondContact O-N 3.19Å; L388-D390 VanDerWaalsContact C-N 3.35Å; L388-D390 PolarHBondContact O-N 2.58Å; L388-M391 PolarHBondContact O-N 3.19Å; L388-Y392 WeakPolarHBondContact O-CB 2.89Å; L388-Y392 PolarHBondContact O-N 2.84Å |
| 389 | S | 85.6 | Confident | 80 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 17% | 0.168 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 179 | -167 | 0 | 0 | 0 | 0 | 112.2 | L387 Y392 K393 | L387-S389 VanDerWaalsContact C-N 3.33Å; L387-S389 PolarHBondContact O-N 2.87Å; S389-Y392 PolarHBondContact O-N 3.25Å; S389-K393 WeakPolarHBondContact O-CG 3.4Å; S389-K393 PolarHBondContact O-N 2.72Å; S389-K393 PolarHBondContact OG-NZ 2.84Å; S389-K393 VanDerWaalsContact OG-NZ 3.11Å |
| 390 | D | 85.3 | Confident | 79.9 | Confident | 104 Ų | 104 | 69.8 Ų | 69.8 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -69.7 | -42.7 | 179.1 | -72.5 | -13.6 | 0 | 0 | 0 | 111.1 | L387 L388 Y392 K393 S394 | L387-D390 PolarHBondContact O-N 3.44Å; L387-D390 VanDerWaalsContact O-N 3.14Å; L388-D390 VanDerWaalsContact C-N 3.35Å; L388-D390 PolarHBondContact O-N 2.58Å; D390-Y392 VanDerWaalsContact C-N 3.34Å; D390-Y392 PolarHBondContact O-N 3.45Å; D390-K393 PolarHBondContact O-N 3.29Å; D390-S394 WeakPolarHBondContact O-CB 3.49Å; D390-S394 PolarHBondContact O-N 2.74Å; D390-S394 PolarHBondContact O-OG 2.94Å; D390-S394 VanDerWaalsContact O-OG 3.13Å |
| 391 | M | 86 | Confident | 79.6 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 19% | 0.187 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 175 | -69.6 | 177.1 | 77.8 | 0 | 0 | 111.1 | L204 F205 I208 L387 L388 S394 S395 | L204-M391 HydrophobicContact CD2-CE 4.05Å; L204-M391 HydrophobicContact CD2-SD 4.18Å; L204-M391 HydrophobicContact CG-CE 4.05Å; F205-M391 HydrophobicContact CB-CE 4.05Å; F205-M391 HydrophobicContact CD2-CE 4.26Å; I208-M391 HydrophobicContact CD1-CB 3.6Å; I208-M391 HydrophobicContact CD1-CE 3.71Å; I208-M391 HydrophobicContact CD1-CG 4.36Å; I208-M391 HydrophobicContact CD1-SD 3.89Å; L387-M391 HydrophobicContact CB-SD 4.22Å; L387-M391 WeakPolarHBondContact O-CB 3.39Å; L387-M391 VanDerWaalsContact O-CG 3.28Å; L387-M391 WeakPolarHBondContact O-CG 3.49Å; L387-M391 PolarHBondContact O-N 2.99Å; L388-M391 PolarHBondContact O-N 3.19Å; M391-S394 WeakPolarHBondContact CA-OG 3.33Å; M391-S394 PolarHBondContact O-N 3.28Å; M391-S394 PolarHBondContact O-OG 3Å; M391-S395 PolarHBondContact O-N 3.12Å |
| 392 | Y | 85.9 | Confident | 79.3 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 6% | 0.059 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 178.2 | -171 | -92.1 | 0 | 0 | 0 | 112 | I208 K212 F217 L222 Q225 L226 L229 L388 S389 D390 S395 | I208-Y392 HydrophobicContact CG2-CD2 3.93Å; K212-Y392 HydrophobicContact CD-CD2 3.94Å; K212-Y392 HydrophobicContact CD-CE1 4.35Å; K212-Y392 HydrophobicContact CD-CE2 3.67Å; K212-Y392 HydrophobicContact CD-CG 4.4Å; K212-Y392 HydrophobicContact CG-CD2 3.89Å; K212-Y392 HydrophobicContact CG-CE2 3.21Å; K212-Y392 PolarHBondContact NZ-O 3.16Å; F217-Y392 AromaticContact CE1-CE2 3.72Å; F217-Y392 HydrophobicContact CE1-CE2 3.72Å; F217-Y392 HydrophobicContact CZ-CE2 4.4Å; L222-Y392 HydrophobicContact CD1-CD1 4.01Å; L222-Y392 HydrophobicContact CD1-CE1 3.6Å; Q225-Y392 PolarHBondContact OE1-OH 3.03Å; L226-Y392 HydrophobicContact CD2-CD1 4.11Å; L226-Y392 HydrophobicContact CD2-CG 4.04Å; L229-Y392 HydrophobicContact CD1-CD2 3.26Å; L229-Y392 HydrophobicContact CD1-CE2 3.6Å; L229-Y392 HydrophobicContact CD1-CG 4.22Å; L388-Y392 WeakPolarHBondContact O-CB 2.89Å; L388-Y392 PolarHBondContact O-N 2.84Å; S389-Y392 PolarHBondContact O-N 3.25Å; D390-Y392 VanDerWaalsContact C-N 3.34Å; D390-Y392 PolarHBondContact O-N 3.45Å; Y392-S395 PolarHBondContact O-OG 3.08Å |
| 393 | K | 83.6 | Confident | 78.8 | Confident | 108 Ų | 108 | 67.7 Ų | 67.7 | 47% | 0.47 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.2 | -33.1 | 178 | -68.3 | 166.1 | -178.1 | 158.3 | 0 | 113.2 | S389 D390 S395 | S389-K393 WeakPolarHBondContact O-CG 3.4Å; S389-K393 PolarHBondContact O-N 2.72Å; S389-K393 PolarHBondContact OG-NZ 2.84Å; S389-K393 VanDerWaalsContact OG-NZ 3.11Å; D390-K393 PolarHBondContact O-N 3.29Å; K393-S395 VanDerWaalsContact C-N 3.26Å; K393-S395 PolarHBondContact O-N 2.91Å |
| 394 | S | 74.9 | Confident | 78.2 | Confident | 58 Ų | 58 | 69.2 Ų | 69.2 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.4 | -19.4 | -178.1 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | D390 M391 D396 I397 | D390-S394 WeakPolarHBondContact O-CB 3.49Å; D390-S394 PolarHBondContact O-N 2.74Å; D390-S394 PolarHBondContact O-OG 2.94Å; D390-S394 VanDerWaalsContact O-OG 3.13Å; M391-S394 WeakPolarHBondContact CA-OG 3.33Å; M391-S394 PolarHBondContact O-N 3.28Å; M391-S394 PolarHBondContact O-OG 3Å; S394-D396 PolarHBondContact O-N 3.11Å; S394-I397 PolarHBondContact O-N 3.05Å |
| 395 | S | 60 | Low | 77.3 | Confident | 26 Ų | 26 | 74.4 Ų | 74.4 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 0.5 | 179.4 | 63.2 | 0 | 0 | 0 | 0 | 114.5 | K212 M391 Y392 K393 | K212-S395 WeakPolarHBondContact CD-OG 3.2Å; K212-S395 WeakPolarHBondContact CE-OG 3.33Å; K212-S395 PolarHBondContact NZ-OG 2.83Å; M391-S395 PolarHBondContact O-N 3.12Å; Y392-S395 PolarHBondContact O-OG 3.08Å; K393-S395 VanDerWaalsContact C-N 3.26Å; K393-S395 PolarHBondContact O-N 2.91Å |
| 396 | D | 52.1 | Low | 76.3 | Confident | 122 Ų | 122 | 76.6 Ų | 76.6 | 65% | 0.652 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -0.6 | 172.4 | -63.9 | -50 | 0 | 0 | 0 | 113.6 | K212 S394 | K212-D396 IonicContact NZ-OD1 2.6Å; K212-D396 PolarHBondContact NZ-OD1 2.95Å; K212-D396 IonicContact NZ-OD2 3.24Å; K212-D396 PolarHBondContact NZ-OD2 3.45Å; S394-D396 PolarHBondContact O-N 3.11Å |
| 397 | I | 38 | Very low | 75.3 | Confident | 186 Ų | 186 | 66 Ų | 66 | 95% | 0.954 | 35% | 0.352 | S | S | * | . | trans | -111 | 0 | 177.3 | -50.3 | 170.9 | 0 | 0 | 0 | 108.5 | S394 | S394-I397 PolarHBondContact O-N 3.05Š|
Retrieved 397 of 397 residues in 1068.7 ms
(Link to these results)