| 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 | 34.9 | Very low | 43.8 | Very low | 243 Ų | 243 | 160.5 Ų | 160.5 | 100% | 1.197 | 78% | 0.783 | S | S | * | * | 0 | 106.7 | 0 | -156.8 | 168.3 | -179.4 | 0 | 0 | 107.2 | |||||
| 2 | R | 39.2 | Very low | 44.8 | Very low | 253 Ų | 253 | 152.3 Ų | 152.3 | 96% | 0.955 | 75% | 0.754 | S | S | * | * | trans | -80.5 | 119.9 | -179 | -86.6 | -178.6 | 178.2 | 167 | -0.6 | 108.7 | ||||
| 3 | I | 40.7 | Very low | 45.7 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 86% | 0.862 | 74% | 0.743 | S | S | * | * | trans | -82.6 | 115.9 | 174.7 | -61.2 | 170.8 | 0 | 0 | 0 | 107.6 | ||||
| 4 | S | 42 | Very low | 46.5 | Very low | 109 Ų | 109 | 148.2 Ų | 148.2 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | -74.7 | 134.5 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | K | 44.9 | Very low | 47.3 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | trans | -65.5 | 141 | 172 | -91.7 | 175.1 | 174.3 | 174.3 | 0 | 110 | H7 | K5-H7 PolarHBondContact O-N 2.7Å; K5-H7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | P | 45.3 | Very low | 48 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -74.3 | 111.5 | -178.3 | 30 | -31 | 0 | 0 | 0 | 110 | L8 | P6-L8 PolarHBondContact O-N 2.73Š| ||
| 7 | H | 47.4 | Very low | 48.9 | Very low | 161 Ų | 161 | 140 Ų | 140 | 75% | 0.745 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 24.1 | 172.1 | -159.8 | 36.1 | 0 | 0 | 0 | 112.7 | K5 | K5-H7 PolarHBondContact O-N 2.7Å; K5-H7 VanDerWaalsContact O-N 3.13Å |
| 8 | L | 44.4 | Very low | 49.6 | Very low | 138 Ų | 138 | 136 Ų | 136 | 72% | 0.723 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -1.6 | -166.2 | -80.8 | 164.6 | 0 | 0 | 0 | 115.1 | P6 | P6-L8 PolarHBondContact O-N 2.73Š|
| 9 | R | 47.8 | Very low | 50.2 | Low | 224 Ų | 224 | 135.2 Ų | 135.2 | 85% | 0.845 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -88.1 | -21.3 | 179.7 | -109.4 | -179.7 | 173.5 | -179.7 | -2.6 | 114.9 | ||
| 10 | S | 46.6 | Very low | 50.7 | Low | 67 Ų | 67 | 131.7 Ų | 131.7 | 47% | 0.469 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -83.5 | -35.9 | -175.7 | -165.3 | 0 | 0 | 0 | 0 | 113.4 | S12 Q14 | S10-S12 PolarHBondContact O-N 3.15Å; S10-Q14 PolarHBondContact O-N 2.96Å |
| 11 | I | 48.8 | Very low | 51.2 | Low | 101 Ų | 101 | 130.6 Ų | 130.6 | 52% | 0.518 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69.8 | -35.6 | -174 | -62 | 170.9 | 0 | 0 | 0 | 111.4 | Q14 C15 | I11-Q14 PolarHBondContact O-N 3.08Å; I11-C15 PolarHBondContact O-N 2.82Å |
| 12 | S | 55.7 | Low | 52.3 | Low | 62 Ų | 62 | 125.3 Ų | 125.3 | 43% | 0.434 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -60.8 | -48.1 | 179.2 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | S10 Q14 C15 Y16 | S10-S12 PolarHBondContact O-N 3.15Å; S12-Q14 PolarHBondContact O-N 3.4Å; S12-C15 PolarHBondContact O-N 3.21Å; S12-Y16 WeakPolarHBondContact O-CD2 3.46Å; S12-Y16 PolarHBondContact O-N 2.9Å |
| 13 | I | 56.6 | Low | 53.2 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 61% | 0.605 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.2 | -41.2 | -178.1 | -60.4 | 172.5 | 0 | 0 | 0 | 111 | Y16 L17 | I13-Y16 PolarHBondContact O-N 2.83Å; I13-L17 WeakPolarHBondContact O-CB 3.45Å; I13-L17 PolarHBondContact O-N 3.14Å |
| 14 | Q | 57.3 | Low | 54 | Low | 130 Ų | 130 | 116.7 Ų | 116.7 | 61% | 0.607 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.1 | -37.6 | 177.4 | -93.7 | 169.3 | -48.7 | 0 | 0 | 113.2 | S10 I11 S12 C18 | S10-Q14 PolarHBondContact O-N 2.96Å; I11-Q14 PolarHBondContact O-N 3.08Å; S12-Q14 PolarHBondContact O-N 3.4Å; Q14-C18 VanDerWaalsContact O-CB 3.28Å; Q14-C18 WeakPolarHBondContact O-CB 3.47Å; Q14-C18 PolarHBondContact O-N 3.12Å |
| 15 | C | 57.3 | Low | 54.4 | Low | 73 Ų | 73 | 117 Ų | 117 | 49% | 0.493 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.2 | -40.6 | 174.9 | -82.2 | 0 | 0 | 0 | 0 | 112.6 | I11 S12 C18 L19 | I11-C15 PolarHBondContact O-N 2.82Å; S12-C15 PolarHBondContact O-N 3.21Å; C15-C18 PolarHBondContact O-N 2.91Å; C15-L19 WeakPolarHBondContact O-CB 3.23Å; C15-L19 WeakPolarHBondContact O-CG 3.26Å; C15-L19 PolarHBondContact O-N 3Å |
| 16 | Y | 59.8 | Low | 55 | Low | 155 Ų | 155 | 112 Ų | 112 | 61% | 0.608 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.7 | -41.7 | 174.6 | -85.2 | -75.8 | 0 | 0 | 0 | 112 | S12 I13 C18 L19 L20 | S12-Y16 WeakPolarHBondContact O-CD2 3.46Å; S12-Y16 PolarHBondContact O-N 2.9Å; I13-Y16 PolarHBondContact O-N 2.83Å; Y16-C18 VanDerWaalsContact C-N 3.33Å; Y16-C18 PolarHBondContact O-N 3.12Å; Y16-L19 PolarHBondContact O-N 2.81Å; Y16-L20 WeakPolarHBondContact O-CB 3.49Å; Y16-L20 VanDerWaalsContact O-CG 3.3Å; Y16-L20 WeakPolarHBondContact O-CG 3.32Å; Y16-L20 PolarHBondContact O-N 3.14Å |
| 17 | L | 62.2 | Low | 56.3 | Low | 77 Ų | 77 | 110.8 Ų | 110.8 | 40% | 0.403 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.1 | -43.2 | 175.2 | -139 | 89.3 | 0 | 0 | 0 | 111.4 | I13 L20 L21 F34 | I13-L17 WeakPolarHBondContact O-CB 3.45Å; I13-L17 PolarHBondContact O-N 3.14Å; L17-L20 PolarHBondContact O-N 3.2Å; L17-L21 HydrophobicContact CD2-CD1 4.21Å; L17-L21 HydrophobicContact CG-CD1 4.32Å; L17-L21 WeakPolarHBondContact O-CB 3.39Å; L17-L21 WeakPolarHBondContact O-CD1 2.9Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 2.79Å; L17-F34 HydrophobicContact CD1-CZ 3.78Å |
| 18 | C | 61.9 | Low | 57.5 | Low | 68 Ų | 68 | 110.5 Ų | 110.5 | 46% | 0.459 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.9 | -36.7 | -179.1 | -160.5 | 0 | 0 | 0 | 0 | 112.4 | Q14 C15 Y16 N22 | Q14-C18 VanDerWaalsContact O-CB 3.28Å; Q14-C18 WeakPolarHBondContact O-CB 3.47Å; Q14-C18 PolarHBondContact O-N 3.12Å; C15-C18 PolarHBondContact O-N 2.91Å; Y16-C18 VanDerWaalsContact C-N 3.33Å; Y16-C18 PolarHBondContact O-N 3.12Å; C18-N22 WeakPolarHBondContact O-CB 3.4Å; C18-N22 PolarHBondContact O-N 3.36Å; C18-N22 VanDerWaalsContact O-N 3.09Å; C18-N22 PolarHBondContact O-ND2 2.85Å; C18-N22 PolarHBondContact SG-ND2 2.87Å |
| 19 | L | 60.8 | Low | 59 | Low | 120 Ų | 120 | 106.9 Ų | 106.9 | 63% | 0.628 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.8 | -39 | 173.7 | -78.3 | 163.7 | 0 | 0 | 0 | 112.1 | C15 Y16 S23 | C15-L19 WeakPolarHBondContact O-CB 3.23Å; C15-L19 WeakPolarHBondContact O-CG 3.26Å; C15-L19 PolarHBondContact O-N 3Å; Y16-L19 PolarHBondContact O-N 2.81Å; L19-S23 WeakPolarHBondContact O-CB 3.43Å; L19-S23 PolarHBondContact O-N 3.45Å; L19-S23 PolarHBondContact O-OG 3.17Å |
| 20 | L | 60.8 | Low | 60.2 | Low | 66 Ų | 66 | 96.6 Ų | 96.6 | 35% | 0.346 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 175 | -74 | 166.2 | 0 | 0 | 0 | 111.4 | Y16 L17 N22 S23 F25 L26 F34 | Y16-L20 WeakPolarHBondContact O-CB 3.49Å; Y16-L20 VanDerWaalsContact O-CG 3.3Å; Y16-L20 WeakPolarHBondContact O-CG 3.32Å; Y16-L20 PolarHBondContact O-N 3.14Å; L17-L20 PolarHBondContact O-N 3.2Å; L20-N22 PolarHBondContact O-N 3.16Å; L20-S23 PolarHBondContact O-N 2.93Å; L20-S23 PolarHBondContact O-OG 2.87Å; L20-F25 HydrophobicContact CD2-CD1 4.25Å; L20-L26 VanDerWaalsContact O-CD1 3.24Å; L20-L26 WeakPolarHBondContact O-CD1 3.09Å; L20-F34 HydrophobicContact CD1-CD2 4.08Å; L20-F34 HydrophobicContact CD1-CE2 3.79Å |
| 21 | L | 61 | Low | 61.8 | Low | 108 Ų | 108 | 96.6 Ų | 96.6 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.8 | -30.3 | 178.3 | -77.6 | 159.8 | 0 | 0 | 0 | 114.2 | L17 L26 | L17-L21 HydrophobicContact CD2-CD1 4.21Å; L17-L21 HydrophobicContact CG-CD1 4.32Å; L17-L21 WeakPolarHBondContact O-CB 3.39Å; L17-L21 WeakPolarHBondContact O-CD1 2.9Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 2.79Å; L21-L26 HydrophobicContact CD2-CD2 4.46Å |
| 22 | N | 57.7 | Low | 63.2 | Low | 132 Ų | 132 | 96.6 Ų | 96.6 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -94.5 | -6.7 | -179.5 | -77.4 | -64.4 | 0 | 0 | 0 | 114.3 | C18 L20 | C18-N22 WeakPolarHBondContact O-CB 3.4Å; C18-N22 PolarHBondContact O-N 3.36Å; C18-N22 VanDerWaalsContact O-N 3.09Å; C18-N22 PolarHBondContact O-ND2 2.85Å; C18-N22 PolarHBondContact SG-ND2 2.87Å; L20-N22 PolarHBondContact O-N 3.16Å |
| 23 | S | 59.1 | Low | 64.3 | Low | 49 Ų | 49 | 98.1 Ų | 98.1 | 34% | 0.343 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -90.1 | 148.6 | 175 | 69.6 | 0 | 0 | 0 | 0 | 110.3 | L19 L20 F25 | L19-S23 WeakPolarHBondContact O-CB 3.43Å; L19-S23 PolarHBondContact O-N 3.45Å; L19-S23 PolarHBondContact O-OG 3.17Å; L20-S23 PolarHBondContact O-N 2.93Å; L20-S23 PolarHBondContact O-OG 2.87Å; S23-F25 PolarHBondContact O-N 2.86Å; S23-F25 WeakPolarHBondContact OG-CB 3.42Å |
| 24 | H | 55.8 | Low | 65.5 | Low | 192 Ų | 192 | 96.5 Ų | 96.5 | 89% | 0.889 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 11 | 171 | -80.6 | -88.2 | 0 | 0 | 0 | 114.2 | L26 | H24-L26 PolarHBondContact O-N 3.39Š|
| 25 | F | 51.8 | Low | 66.7 | Low | 116 Ų | 116 | 93.9 Ų | 93.9 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12.3 | 174.9 | -162.4 | -100.9 | 0 | 0 | 0 | 113.1 | L20 S23 T27 | L20-F25 HydrophobicContact CD2-CD1 4.25Å; S23-F25 PolarHBondContact O-N 2.86Å; S23-F25 WeakPolarHBondContact OG-CB 3.42Å; F25-T27 PolarHBondContact O-N 3.46Å |
| 26 | L | 57.3 | Low | 67.8 | Low | 87 Ų | 87 | 96 Ų | 96 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | trans | -75.7 | 52.9 | 167.5 | -78.4 | 98.9 | 0 | 0 | 0 | 112.6 | L20 L21 H24 I31 | L20-L26 VanDerWaalsContact O-CD1 3.24Å; L20-L26 WeakPolarHBondContact O-CD1 3.09Å; L21-L26 HydrophobicContact CD2-CD2 4.46Å; H24-L26 PolarHBondContact O-N 3.39Å; L26-I31 HydrophobicContact CB-CD1 4.43Å; L26-I31 HydrophobicContact CB-CG1 4.37Å; L26-I31 HydrophobicContact CD2-CD1 3.92Å; L26-I31 HydrophobicContact CD2-CG1 3.99Å; L26-I31 HydrophobicContact CG-CD1 4.4Å; L26-I31 HydrophobicContact CG-CG1 4.1Å | ||
| 27 | T | 72.1 | Confident | 68.7 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -72.6 | 155.5 | 150.2 | 58.3 | 0 | 0 | 0 | 0 | 107.9 | F25 A29 G30 I31 | F25-T27 PolarHBondContact O-N 3.46Å; T27-A29 PolarHBondContact O-N 3.33Å; T27-A29 VanDerWaalsContact O-N 3.14Å; T27-G30 PolarHBondContact O-N 3.16Å; T27-G30 PolarHBondContact OG1-N 3.29Å; T27-I31 PolarHBondContact O-N 3.03Å; T27-I31 VanDerWaalsContact O-N 3.17Å |
| 28 | E | 72.3 | Confident | 69.6 | Low | 154 Ų | 154 | 89.6 Ų | 89.6 | 72% | 0.72 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -46.9 | -44.2 | 175.7 | -174.2 | 177.6 | 173.3 | 0 | 0 | 111.4 | G30 I31 H32 | E28-G30 PolarHBondContact O-N 3.29Å; E28-I31 PolarHBondContact O-N 3.24Å; E28-H32 PolarHBondContact O-CD2 2.86Å; E28-H32 PolarHBondContact O-N 3.14Å; E28-H32 VanDerWaalsContact O-N 3.15Å |
| 29 | A | 75.9 | Confident | 70.3 | Confident | 63 Ų | 63 | 92.9 Ų | 92.9 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | T27 H32 V33 | T27-A29 PolarHBondContact O-N 3.33Å; T27-A29 VanDerWaalsContact O-N 3.14Å; A29-H32 PolarHBondContact O-N 3.22Å; A29-V33 WeakPolarHBondContact O-CG2 3.45Å; A29-V33 PolarHBondContact O-N 2.95Å |
| 30 | G | 74.5 | Confident | 70.7 | Confident | 7 Ų | 7 | 91.1 Ų | 91.1 | 7% | 0.072 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -67 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | T27 E28 F34 | T27-G30 PolarHBondContact O-N 3.16Å; T27-G30 PolarHBondContact OG1-N 3.29Å; E28-G30 PolarHBondContact O-N 3.29Å; G30-F34 WeakPolarHBondContact O-CB 3.41Å; G30-F34 PolarHBondContact O-N 3.38Å |
| 31 | I | 79.1 | Confident | 71.3 | Confident | 68 Ų | 68 | 92.3 Ų | 92.3 | 35% | 0.349 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 173.7 | -61.7 | 172 | 0 | 0 | 0 | 110.1 | L26 T27 E28 V33 F34 I35 | L26-I31 HydrophobicContact CB-CD1 4.43Å; L26-I31 HydrophobicContact CB-CG1 4.37Å; L26-I31 HydrophobicContact CD2-CD1 3.92Å; L26-I31 HydrophobicContact CD2-CG1 3.99Å; L26-I31 HydrophobicContact CG-CD1 4.4Å; L26-I31 HydrophobicContact CG-CG1 4.1Å; T27-I31 PolarHBondContact O-N 3.03Å; T27-I31 VanDerWaalsContact O-N 3.17Å; E28-I31 PolarHBondContact O-N 3.24Å; I31-V33 PolarHBondContact O-N 3.48Å; I31-F34 PolarHBondContact O-N 3.13Å; I31-I35 HydrophobicContact CG2-CD1 3.63Å; I31-I35 HydrophobicContact CG2-CG1 4.26Å; I31-I35 WeakPolarHBondContact O-CB 3.28Å; I31-I35 VanDerWaalsContact O-CG1 3.26Å; I31-I35 WeakPolarHBondContact O-CG1 3.41Å; I31-I35 PolarHBondContact O-N 3.08Å |
| 32 | H | 77.6 | Confident | 71.4 | Confident | 101 Ų | 101 | 90 Ų | 90 | 47% | 0.468 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 177 | -74.4 | -65.6 | 0 | 0 | 0 | 112.4 | E28 A29 F34 I35 L36 | E28-H32 PolarHBondContact O-CD2 2.86Å; E28-H32 PolarHBondContact O-N 3.14Å; E28-H32 VanDerWaalsContact O-N 3.15Å; A29-H32 PolarHBondContact O-N 3.22Å; H32-F34 VanDerWaalsContact C-N 3.34Å; H32-F34 PolarHBondContact O-N 3.02Å; H32-I35 PolarHBondContact O-N 3.17Å; H32-L36 WeakPolarHBondContact O-CB 3.41Å; H32-L36 WeakPolarHBondContact O-CG 3.36Å; H32-L36 PolarHBondContact O-N 3.32Å |
| 33 | V | 80.6 | Confident | 72 | Confident | 94 Ų | 94 | 89.3 Ų | 89.3 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | A29 I31 L36 G37 | A29-V33 WeakPolarHBondContact O-CG2 3.45Å; A29-V33 PolarHBondContact O-N 2.95Å; I31-V33 PolarHBondContact O-N 3.48Å; V33-L36 PolarHBondContact O-N 2.81Å; V33-G37 PolarHBondContact O-N 3.37Å |
| 34 | F | 80.4 | Confident | 71.9 | Confident | 84 Ų | 84 | 91.7 Ų | 91.7 | 37% | 0.368 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -46.9 | 177 | -179.7 | -102.4 | 0 | 0 | 0 | 111.9 | L17 L20 G30 I31 H32 G37 C38 | L17-F34 HydrophobicContact CD1-CZ 3.78Å; L20-F34 HydrophobicContact CD1-CD2 4.08Å; L20-F34 HydrophobicContact CD1-CE2 3.79Å; G30-F34 WeakPolarHBondContact O-CB 3.41Å; G30-F34 PolarHBondContact O-N 3.38Å; I31-F34 PolarHBondContact O-N 3.13Å; H32-F34 VanDerWaalsContact C-N 3.34Å; H32-F34 PolarHBondContact O-N 3.02Å; F34-G37 PolarHBondContact O-N 3.13Å; F34-C38 PolarHBondContact O-N 3.44Å; F34-C38 PolarHBondContact O-SG 2.94Å; F34-C38 VanDerWaalsContact O-SG 3.38Å |
| 35 | I | 82.2 | Confident | 72 | Confident | 75 Ų | 75 | 91.3 Ų | 91.3 | 39% | 0.385 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 176.5 | -71.1 | 173.2 | 0 | 0 | 0 | 110.4 | I31 H32 G37 C38 F39 | I31-I35 HydrophobicContact CG2-CD1 3.63Å; I31-I35 HydrophobicContact CG2-CG1 4.26Å; I31-I35 WeakPolarHBondContact O-CB 3.28Å; I31-I35 VanDerWaalsContact O-CG1 3.26Å; I31-I35 WeakPolarHBondContact O-CG1 3.41Å; I31-I35 PolarHBondContact O-N 3.08Å; H32-I35 PolarHBondContact O-N 3.17Å; I35-G37 VanDerWaalsContact C-N 3.3Å; I35-G37 PolarHBondContact O-N 3.3Å; I35-C38 PolarHBondContact O-N 3.04Å; I35-C38 VanDerWaalsContact O-N 3.16Å; I35-F39 HydrophobicContact CG2-CD2 3.51Å; I35-F39 HydrophobicContact CG2-CE2 3.41Å; I35-F39 VanDerWaalsContact CG2-CE2 3.41Å; I35-F39 WeakPolarHBondContact O-CD2 3.24Å; I35-F39 PolarHBondContact O-N 3.06Å |
| 36 | L | 80.1 | Confident | 72.3 | Confident | 117 Ų | 117 | 92.1 Ų | 92.1 | 61% | 0.613 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.3 | -36.8 | 176.8 | -71.7 | 168.2 | 0 | 0 | 0 | 112.3 | H32 V33 F39 S40 | H32-L36 WeakPolarHBondContact O-CB 3.41Å; H32-L36 WeakPolarHBondContact O-CG 3.36Å; H32-L36 PolarHBondContact O-N 3.32Å; V33-L36 PolarHBondContact O-N 2.81Å; L36-F39 PolarHBondContact O-N 3.15Å; L36-S40 WeakPolarHBondContact O-CB 3.36Å; L36-S40 PolarHBondContact O-N 2.98Å; L36-S40 PolarHBondContact O-OG 2.82Å |
| 37 | G | 80.6 | Confident | 72.7 | Confident | 33 Ų | 33 | 95.3 Ų | 95.3 | 34% | 0.34 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | V33 F34 I35 S40 A41 | V33-G37 PolarHBondContact O-N 3.37Å; F34-G37 PolarHBondContact O-N 3.13Å; I35-G37 VanDerWaalsContact C-N 3.3Å; I35-G37 PolarHBondContact O-N 3.3Å; G37-S40 WeakPolarHBondContact CA-OG 3.25Å; G37-S40 PolarHBondContact O-N 3Å; G37-S40 PolarHBondContact O-OG 2.94Å; G37-A41 WeakPolarHBondContact O-CB 3.42Å; G37-A41 PolarHBondContact O-N 3.3Å |
| 38 | C | 79.6 | Confident | 72.7 | Confident | 65 Ų | 65 | 92.8 Ų | 92.8 | 44% | 0.439 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 174.9 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | F34 I35 G42 | F34-C38 PolarHBondContact O-N 3.44Å; F34-C38 PolarHBondContact O-SG 2.94Å; F34-C38 VanDerWaalsContact O-SG 3.38Å; I35-C38 PolarHBondContact O-N 3.04Å; I35-C38 VanDerWaalsContact O-N 3.16Å; C38-G42 PolarHBondContact O-N 3.38Å |
| 39 | F | 77.3 | Confident | 73.4 | Confident | 136 Ų | 136 | 89 Ų | 89 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.7 | -48.1 | 173.5 | -85.8 | -72.5 | 0 | 0 | 0 | 111.1 | I35 L36 A41 G42 L43 | I35-F39 HydrophobicContact CG2-CD2 3.51Å; I35-F39 HydrophobicContact CG2-CE2 3.41Å; I35-F39 VanDerWaalsContact CG2-CE2 3.41Å; I35-F39 WeakPolarHBondContact O-CD2 3.24Å; I35-F39 PolarHBondContact O-N 3.06Å; L36-F39 PolarHBondContact O-N 3.15Å; F39-A41 VanDerWaalsContact C-N 3.33Å; F39-A41 PolarHBondContact O-N 3.14Å; F39-G42 PolarHBondContact O-N 2.04Å; F39-G42 VanDerWaalsContact O-N 3.16Å; F39-L43 VanDerWaalsContact O-CG 3.26Å; F39-L43 WeakPolarHBondContact O-CG 3.05Å; F39-L43 PolarHBondContact O-N 3.13Å |
| 40 | S | 69.1 | Low | 74.2 | Confident | 84 Ų | 84 | 86.3 Ų | 86.3 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -34 | 179.5 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | L36 G37 | L36-S40 WeakPolarHBondContact O-CB 3.36Å; L36-S40 PolarHBondContact O-N 2.98Å; L36-S40 PolarHBondContact O-OG 2.82Å; G37-S40 WeakPolarHBondContact CA-OG 3.25Å; G37-S40 PolarHBondContact O-N 3Å; G37-S40 PolarHBondContact O-OG 2.94Å |
| 41 | A | 73.4 | Confident | 75 | Confident | 90 Ų | 90 | 89.8 Ų | 89.8 | 74% | 0.744 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -77.5 | -25.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G37 F39 | G37-A41 WeakPolarHBondContact O-CB 3.42Å; G37-A41 PolarHBondContact O-N 3.3Å; F39-A41 VanDerWaalsContact C-N 3.33Å; F39-A41 PolarHBondContact O-N 3.14Å |
| 42 | G | 64.1 | Low | 75.7 | Confident | 61 Ų | 61 | 90 Ų | 90 | 63% | 0.629 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -93.3 | -16 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C38 F39 | C38-G42 PolarHBondContact O-N 3.38Å; F39-G42 PolarHBondContact O-N 2.04Å; F39-G42 VanDerWaalsContact O-N 3.16Å |
| 43 | L | 69.6 | Low | 76.6 | Confident | 116 Ų | 116 | 85.2 Ų | 85.2 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -64.2 | 125.2 | 172.7 | -79 | 169.4 | 0 | 0 | 0 | 108.7 | F39 K45 | F39-L43 VanDerWaalsContact O-CG 3.26Å; F39-L43 WeakPolarHBondContact O-CG 3.05Å; F39-L43 PolarHBondContact O-N 3.13Å; L43-K45 PolarHBondContact O-N 3Å |
| 44 | P | 57.3 | Low | 77.3 | Confident | 100 Ų | 100 | 82 Ų | 82 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | trans | -57.2 | 133.1 | 171.7 | 24.9 | -31.3 | 0 | 0 | 0 | 107.3 | T46 | P44-T46 VanDerWaalsContact C-N 3.29Å; P44-T46 PolarHBondContact O-N 3.02Å | ||
| 45 | K | 56.2 | Low | 78.1 | Confident | 183 Ų | 183 | 81.4 Ų | 81.4 | 80% | 0.796 | 48% | 0.481 | S | S | * | . | trans | -61.8 | 101.7 | 165.5 | -69.9 | -176.2 | 179.7 | -178.4 | 0 | 106.3 | L43 E47 | L43-K45 PolarHBondContact O-N 3Å; K45-E47 HydrophobicContact CB-CG 4.22Å; K45-E47 PolarHBondContact O-N 3.3Å | ||
| 46 | T | 59.8 | Low | 78.8 | Confident | 134 Ų | 134 | 79.2 Ų | 79.2 | 82% | 0.822 | 47% | 0.471 | S | S | * | . | trans | -70.5 | 83.4 | 163.8 | 37.7 | 0 | 0 | 0 | 0 | 106.2 | P44 A48 | P44-T46 VanDerWaalsContact C-N 3.29Å; P44-T46 PolarHBondContact O-N 3.02Å; T46-A48 PolarHBondContact O-N 3.25Å | ||
| 47 | E | 65.2 | Low | 79.6 | Confident | 153 Ų | 153 | 73.8 Ų | 73.8 | 72% | 0.715 | 44% | 0.442 | S | S | * | . | trans | -63.3 | 124.6 | 173.6 | -70.3 | -177.9 | 174.9 | 0 | 0 | 107.9 | K45 N49 | K45-E47 HydrophobicContact CB-CG 4.22Å; K45-E47 PolarHBondContact O-N 3.3Å; E47-N49 PolarHBondContact O-N 3.33Å | ||
| 48 | A | 72.6 | Confident | 80.3 | Confident | 31 Ų | 31 | 77.8 Ų | 77.8 | 26% | 0.256 | 45% | 0.45 | S | S | . | . | trans | -61.1 | 127.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | T46 L117 N120 I121 | T46-A48 PolarHBondContact O-N 3.25Å; A48-L117 HydrophobicContact CB-CD2 3.91Å; A48-N120 HydrophobicContact CB-CB 3.9Å; A48-I121 HydrophobicContact CB-CD1 4.12Å; A48-I121 HydrophobicContact CB-CG1 3.55Å; A48-I121 WeakPolarHBondContact O-CG1 3.43Å | ||
| 49 | N | 86.2 | Confident | 81.2 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | trans | -133.4 | 135.6 | -174.4 | -175.3 | -9.3 | 0 | 0 | 0 | 109.6 | E47 V51 N52 V53 | E47-N49 PolarHBondContact O-N 3.33Å; N49-V51 PolarHBondContact O-N 3Å; N49-V51 VanDerWaalsContact O-N 3.12Å; N49-V51 WeakPolarHBondContact OD1-CG2 3.18Å; N49-V51 PolarHBondContact OD1-N 3.11Å; N49-N52 WeakPolarHBondContact O-CB 3.49Å; N49-N52 PolarHBondContact O-N 3.12Å; N49-V53 PolarHBondContact O-N 3.31Å | ||
| 50 | W | 92.3 | Very high | 82.1 | Confident | 6 Ų | 6 | 72.8 Ų | 72.8 | 2% | 0.023 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -55.5 | -25 | 173.6 | -68 | 118.4 | 0 | 0 | 0 | 113.6 | N52 V53 I54 M88 A118 I121 L122 V155 F158 I159 | W50-N52 VanDerWaalsContact C-N 3.3Å; W50-N52 PolarHBondContact O-N 2.89Å; W50-V53 HydrophobicContact CE3-CB 4.23Å; W50-V53 HydrophobicContact CE3-CG1 4.35Å; W50-V53 HydrophobicContact CE3-CG2 3.96Å; W50-V53 HydrophobicContact CZ3-CG2 4.37Å; W50-V53 WeakPolarHBondContact O-CB 3.45Å; W50-V53 PolarHBondContact O-N 3.36Å; W50-I54 PolarHBondContact O-N 3.33Å; W50-M88 HydrophobicContact CH2-CE 3.95Å; W50-M88 HydrophobicContact CH2-CG 4.29Å; W50-M88 HydrophobicContact CH2-SD 4.3Å; W50-M88 HydrophobicContact CZ3-CE 3.75Å; W50-M88 HydrophobicContact CZ3-SD 4.11Å; W50-A118 HydrophobicContact CH2-CB 4.49Å; W50-A118 HydrophobicContact CZ3-CB 4.19Å; W50-I121 HydrophobicContact CD2-CD1 3.82Å; W50-I121 HydrophobicContact CD2-CG2 4.37Å; W50-I121 VanDerWaalsContact CE2-CG2 3.45Å; W50-I121 HydrophobicContact CE3-CD1 4.1Å; W50-I121 HydrophobicContact CG-CD1 4.13Å; W50-I121 HydrophobicContact CZ2-CB 3.94Å; W50-I121 HydrophobicContact CZ2-CD1 4.42Å; W50-I121 HydrophobicContact CZ2-CG2 3.59Å; W50-I121 VanDerWaalsContact NE1-CG2 3.26Å; W50-L122 HydrophobicContact CH2-CD2 4.05Å; W50-L122 HydrophobicContact CH2-CG 4.13Å; W50-L122 HydrophobicContact CZ2-CD2 4.12Å; W50-L122 HydrophobicContact CZ2-CG 4.44Å; W50-V155 HydrophobicContact CB-CG1 3.9Å; W50-V155 HydrophobicContact CD2-CG1 4.36Å; W50-V155 HydrophobicContact CE3-CG1 3.86Å; W50-V155 HydrophobicContact CE3-CG2 4.37Å; W50-V155 HydrophobicContact CG-CG1 4.43Å; W50-F158 HydrophobicContact CD2-CB 3.9Å; W50-F158 VanDerWaalsContact CE2-CB 3.48Å; W50-F158 AromaticContact CE2-CG 3.83Å; W50-F158 HydrophobicContact CG-CB 4.11Å; W50-F158 HydrophobicContact CH2-CD1 4.41Å; W50-F158 HydrophobicContact CH2-CD2 4.45Å; W50-F158 HydrophobicContact CH2-CG 4.26Å; W50-F158 HydrophobicContact CZ2-CB 3.91Å; W50-F158 AromaticContact CZ2-CD1 3.63Å; W50-F158 HydrophobicContact CZ2-CD1 3.63Å; W50-F158 HydrophobicContact CZ2-CD2 4.32Å; W50-F158 HydrophobicContact CZ2-CE1 4.2Å; W50-F158 AromaticContact CZ2-CG 3.7Å; W50-F158 HydrophobicContact CZ2-CG 3.7Å; W50-I159 HydrophobicContact CB-CD1 3.93Å; W50-I159 HydrophobicContact CB-CG1 3.4Å; W50-I159 HydrophobicContact CG-CG1 4.18Å |
| 51 | V | 92.8 | Very high | 83.3 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.9 | -38.7 | 172.6 | 178 | 0 | 0 | 0 | 0 | 111.8 | N49 I54 S55 | N49-V51 PolarHBondContact O-N 3Å; N49-V51 VanDerWaalsContact O-N 3.12Å; N49-V51 WeakPolarHBondContact OD1-CG2 3.18Å; N49-V51 PolarHBondContact OD1-N 3.11Å; V51-I54 PolarHBondContact O-N 2.98Å; V51-S55 PolarHBondContact O-N 2.85Å; V51-S55 VanDerWaalsContact O-N 3.12Å |
| 52 | N | 92.9 | Very high | 84.3 | Confident | 73 Ų | 73 | 73 Ų | 73 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.2 | -38.3 | 177 | -62.4 | -19.8 | 0 | 0 | 0 | 110.5 | N49 W50 I54 S55 D56 L117 | N49-N52 WeakPolarHBondContact O-CB 3.49Å; N49-N52 PolarHBondContact O-N 3.12Å; W50-N52 VanDerWaalsContact C-N 3.3Å; W50-N52 PolarHBondContact O-N 2.89Å; N52-I54 VanDerWaalsContact C-N 3.33Å; N52-I54 PolarHBondContact O-N 3.38Å; N52-S55 WeakPolarHBondContact O-CA 3.46Å; N52-S55 VanDerWaalsContact O-CB 3.31Å; N52-S55 WeakPolarHBondContact O-CB 3.32Å; N52-S55 PolarHBondContact O-N 3.11Å; N52-D56 PolarHBondContact O-N 2.04Å; N52-L117 HydrophobicContact CB-CD1 3.82Å |
| 53 | V | 95.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 173.3 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | N49 W50 S55 D56 L57 L114 L117 V155 | N49-V53 PolarHBondContact O-N 3.31Å; W50-V53 HydrophobicContact CE3-CB 4.23Å; W50-V53 HydrophobicContact CE3-CG1 4.35Å; W50-V53 HydrophobicContact CE3-CG2 3.96Å; W50-V53 HydrophobicContact CZ3-CG2 4.37Å; W50-V53 WeakPolarHBondContact O-CB 3.45Å; W50-V53 PolarHBondContact O-N 3.36Å; V53-S55 VanDerWaalsContact C-N 3.31Å; V53-S55 PolarHBondContact O-N 2.86Å; V53-D56 PolarHBondContact O-N 2.93Å; V53-L57 HydrophobicContact CG1-CD1 4.39Å; V53-L57 WeakPolarHBondContact O-CG 3.35Å; V53-L57 PolarHBondContact O-N 3.02Å; V53-L114 HydrophobicContact CG1-CD1 4.24Å; V53-L114 HydrophobicContact CG1-CD2 4.1Å; V53-L114 HydrophobicContact CG1-CG 3.98Å; V53-L117 HydrophobicContact CG2-CB 4.1Å; V53-V155 HydrophobicContact CB-CG1 4.42Å; V53-V155 HydrophobicContact CG1-CG1 4.27Å; V53-V155 HydrophobicContact CG1-CG2 3.77Å |
| 54 | I | 96.2 | Very high | 86.8 | Confident | 26 Ų | 26 | 68 Ų | 68 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 175 | -66.7 | 179.1 | 0 | 0 | 0 | 111.6 | W50 V51 N52 D56 L57 K58 V155 Q156 I159 | W50-I54 PolarHBondContact O-N 3.33Å; V51-I54 PolarHBondContact O-N 2.98Å; N52-I54 VanDerWaalsContact C-N 3.33Å; N52-I54 PolarHBondContact O-N 3.38Å; I54-D56 VanDerWaalsContact C-N 3.35Å; I54-L57 PolarHBondContact O-N 3.43Å; I54-K58 HydrophobicContact CG2-CD 4.44Å; I54-K58 WeakPolarHBondContact O-CG 3.2Å; I54-K58 PolarHBondContact O-N 2.9Å; I54-K58 VanDerWaalsContact O-N 3.13Å; I54-V155 HydrophobicContact CD1-CG1 4Å; I54-V155 HydrophobicContact CG1-CB 4.24Å; I54-V155 HydrophobicContact CG1-CG1 3.57Å; I54-Q156 HydrophobicContact CD1-CG 4.24Å; I54-I159 HydrophobicContact CD1-CD1 3.5Å; I54-I159 VanDerWaalsContact CD1-CD1 3.5Å; I54-I159 HydrophobicContact CG1-CD1 4.49Å |
| 55 | S | 96.1 | Very high | 88.3 | Confident | 71 Ų | 71 | 70 Ų | 70 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.4 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | V51 N52 V53 K58 K59 | V51-S55 PolarHBondContact O-N 2.85Å; V51-S55 VanDerWaalsContact O-N 3.12Å; N52-S55 WeakPolarHBondContact O-CA 3.46Å; N52-S55 VanDerWaalsContact O-CB 3.31Å; N52-S55 WeakPolarHBondContact O-CB 3.32Å; N52-S55 PolarHBondContact O-N 3.11Å; V53-S55 VanDerWaalsContact C-N 3.31Å; V53-S55 PolarHBondContact O-N 2.86Å; S55-K58 PolarHBondContact O-N 3.01Å; S55-K59 PolarHBondContact O-N 3.34Å |
| 56 | D | 96.9 | Very high | 89.6 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 16% | 0.16 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 178.7 | -68.3 | -20.7 | 0 | 0 | 0 | 111.4 | N52 V53 I54 K58 K59 I60 T110 L114 | N52-D56 PolarHBondContact O-N 2.04Å; V53-D56 PolarHBondContact O-N 2.93Å; I54-D56 VanDerWaalsContact C-N 3.35Å; D56-K58 VanDerWaalsContact C-N 3.32Å; D56-K58 PolarHBondContact O-N 3.21Å; D56-K59 PolarHBondContact O-N 3.46Å; D56-I60 VanDerWaalsContact O-CG1 3.31Å; D56-I60 WeakPolarHBondContact O-CG1 3.46Å; D56-I60 PolarHBondContact O-N 2.62Å; D56-T110 HydrophobicContact CB-CG2 3.88Å; D56-L114 HydrophobicContact CB-CB 4.08Å; D56-L114 HydrophobicContact CB-CD1 3.87Å; D56-L114 HydrophobicContact CB-CG 4.26Å |
| 57 | L | 97.7 | Very high | 91 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.1 | -42.8 | 173.6 | -72.6 | 174 | 0 | 0 | 0 | 112.4 | V53 I54 I60 E61 L114 L148 F151 V152 V155 | V53-L57 HydrophobicContact CG1-CD1 4.39Å; V53-L57 WeakPolarHBondContact O-CG 3.35Å; V53-L57 PolarHBondContact O-N 3.02Å; I54-L57 PolarHBondContact O-N 3.43Å; L57-I60 PolarHBondContact O-N 2.9Å; L57-E61 PolarHBondContact O-N 3.29Å; L57-L114 HydrophobicContact CD2-CD1 3.64Å; L57-L114 HydrophobicContact CG-CD1 3.78Å; L57-L148 HydrophobicContact CD2-CD2 4.03Å; L57-F151 HydrophobicContact CD1-CB 4.16Å; L57-F151 HydrophobicContact CD1-CD1 4.45Å; L57-F151 HydrophobicContact CD1-CD2 3.94Å; L57-F151 HydrophobicContact CD1-CE2 4.43Å; L57-F151 HydrophobicContact CD1-CG 3.91Å; L57-F151 HydrophobicContact CD2-CB 4.31Å; L57-F151 HydrophobicContact CD2-CD1 3.5Å; L57-F151 VanDerWaalsContact CD2-CD1 3.5Å; L57-F151 HydrophobicContact CD2-CD2 4.39Å; L57-F151 HydrophobicContact CD2-CE1 3.81Å; L57-F151 HydrophobicContact CD2-CG 3.81Å; L57-F151 HydrophobicContact CD2-CZ 4.35Å; L57-V152 HydrophobicContact CB-CG2 4.28Å; L57-V152 HydrophobicContact CD1-CG2 3.84Å; L57-V155 HydrophobicContact CD1-CG2 4.18Å |
| 58 | K | 96.5 | Very high | 91.9 | Very high | 117 Ų | 117 | 63.5 Ų | 63.5 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 176.7 | -72.3 | 176.6 | 178.8 | -178.7 | 0 | 112.2 | I54 S55 D56 I60 E61 D62 | I54-K58 HydrophobicContact CG2-CD 4.44Å; I54-K58 WeakPolarHBondContact O-CG 3.2Å; I54-K58 PolarHBondContact O-N 2.9Å; I54-K58 VanDerWaalsContact O-N 3.13Å; S55-K58 PolarHBondContact O-N 3.01Å; D56-K58 VanDerWaalsContact C-N 3.32Å; D56-K58 PolarHBondContact O-N 3.21Å; K58-I60 VanDerWaalsContact C-N 3.3Å; K58-I60 PolarHBondContact O-N 3.46Å; K58-E61 WeakPolarHBondContact O-CB 3.49Å; K58-E61 PolarHBondContact O-N 3.35Å; K58-D62 PolarHBondContact O-N 3.03Å |
| 59 | K | 96.4 | Very high | 92.5 | Very high | 97 Ų | 97 | 63.2 Ų | 63.2 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.6 | -174.4 | -175.7 | 174.1 | -152.5 | 0 | 110.8 | S55 D56 D62 L63 T110 | S55-K59 PolarHBondContact O-N 3.34Å; D56-K59 PolarHBondContact O-N 3.46Å; K59-D62 PolarHBondContact O-N 3.33Å; K59-L63 HydrophobicContact CG-CD1 4.17Å; K59-L63 VanDerWaalsContact O-CG 3.26Å; K59-L63 WeakPolarHBondContact O-CG 3.4Å; K59-L63 PolarHBondContact O-N 3.32Å; K59-T110 HydrophobicContact CB-CG2 4.34Å; K59-T110 HydrophobicContact CD-CG2 3.97Å; K59-T110 HydrophobicContact CG-CG2 4.43Å; K59-T110 PolarHBondContact NZ-OG1 2.89Å |
| 60 | I | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 174.4 | -67.2 | 164.2 | 0 | 0 | 0 | 110 | D56 L57 K58 D62 L63 I64 L95 I98 T110 V111 L114 L148 | D56-I60 VanDerWaalsContact O-CG1 3.31Å; D56-I60 WeakPolarHBondContact O-CG1 3.46Å; D56-I60 PolarHBondContact O-N 2.62Å; L57-I60 PolarHBondContact O-N 2.9Å; K58-I60 VanDerWaalsContact C-N 3.3Å; K58-I60 PolarHBondContact O-N 3.46Å; I60-D62 VanDerWaalsContact C-N 3.29Å; I60-D62 PolarHBondContact O-N 3.37Å; I60-L63 PolarHBondContact O-N 2.96Å; I60-L63 VanDerWaalsContact O-N 3.17Å; I60-I64 HydrophobicContact CG2-CG2 4.27Å; I60-I64 WeakPolarHBondContact O-CG1 3.33Å; I60-I64 WeakPolarHBondContact O-CG2 3.43Å; I60-I64 PolarHBondContact O-N 3.19Å; I60-L95 HydrophobicContact CD1-CD1 4.08Å; I60-L95 HydrophobicContact CD1-CD2 4.4Å; I60-I98 HydrophobicContact CG2-CG2 4.36Å; I60-T110 HydrophobicContact CD1-CG2 4.06Å; I60-T110 HydrophobicContact CG1-CG2 3.7Å; I60-V111 HydrophobicContact CD1-CG2 3.67Å; I60-V111 HydrophobicContact CG1-CG2 4.36Å; I60-L114 HydrophobicContact CD1-CD1 4.19Å; I60-L148 HydrophobicContact CG2-CD1 4.48Å; I60-L148 HydrophobicContact CG2-CD2 4.44Å |
| 61 | E | 95.4 | Very high | 92.7 | Very high | 76 Ų | 76 | 67.1 Ų | 67.1 | 36% | 0.355 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -53.3 | -44.7 | 176.9 | -170.7 | 179.9 | -172.6 | 0 | 0 | 112.1 | L57 K58 I64 Q65 L148 | L57-E61 PolarHBondContact O-N 3.29Å; K58-E61 WeakPolarHBondContact O-CB 3.49Å; K58-E61 PolarHBondContact O-N 3.35Å; E61-I64 WeakPolarHBondContact O-CG1 3.45Å; E61-Q65 WeakPolarHBondContact O-CG 3.44Å; E61-Q65 PolarHBondContact O-N 3.24Å; E61-L148 HydrophobicContact CB-CD1 3.93Å; E61-L148 HydrophobicContact CG-CD1 4.27Å |
| 62 | D | 94.7 | Very high | 92.9 | Very high | 103 Ų | 103 | 67 Ų | 67 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.4 | -40.4 | 179.1 | -72.3 | -25.4 | 0 | 0 | 0 | 112.5 | K58 K59 I60 | K58-D62 PolarHBondContact O-N 3.03Å; K59-D62 PolarHBondContact O-N 3.33Å; I60-D62 VanDerWaalsContact C-N 3.29Å; I60-D62 PolarHBondContact O-N 3.37Å |
| 63 | L | 93.3 | Very high | 93.1 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66 | -44.2 | 179.8 | -71.1 | 169.8 | 0 | 0 | 0 | 111.6 | K59 I60 Q65 S66 D106 I107 | K59-L63 HydrophobicContact CG-CD1 4.17Å; K59-L63 VanDerWaalsContact O-CG 3.26Å; K59-L63 WeakPolarHBondContact O-CG 3.4Å; K59-L63 PolarHBondContact O-N 3.32Å; I60-L63 PolarHBondContact O-N 2.96Å; I60-L63 VanDerWaalsContact O-N 3.17Å; L63-Q65 VanDerWaalsContact C-N 3.27Å; L63-Q65 PolarHBondContact O-N 2.94Å; L63-S66 PolarHBondContact O-OG 3.04Å; L63-S66 VanDerWaalsContact O-OG 3.13Å; L63-D106 HydrophobicContact CD1-CB 4.17Å; L63-I107 HydrophobicContact CB-CD1 4.04Å; L63-I107 HydrophobicContact CB-CG1 3.83Å; L63-I107 HydrophobicContact CD1-CG1 3.8Å; L63-I107 HydrophobicContact CG-CG1 4.44Å |
| 64 | I | 92.1 | Very high | 93.3 | Very high | 23 Ų | 23 | 66.3 Ų | 66.3 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.5 | -16.7 | -176.9 | 65.4 | 171.6 | 0 | 0 | 0 | 113.7 | I60 E61 S66 M67 I69 I98 I107 I144 L148 | I60-I64 HydrophobicContact CG2-CG2 4.27Å; I60-I64 WeakPolarHBondContact O-CG1 3.33Å; I60-I64 WeakPolarHBondContact O-CG2 3.43Å; I60-I64 PolarHBondContact O-N 3.19Å; E61-I64 WeakPolarHBondContact O-CG1 3.45Å; I64-S66 PolarHBondContact O-N 3.01Å; I64-S66 VanDerWaalsContact O-N 3.12Å; I64-M67 PolarHBondContact O-N 3.37Å; I64-I69 HydrophobicContact CG2-CD1 4.01Å; I64-I98 HydrophobicContact CG2-CG2 4.29Å; I64-I107 HydrophobicContact CG2-CD1 3.73Å; I64-I144 HydrophobicContact CD1-CB 4.41Å; I64-I144 HydrophobicContact CD1-CG2 3.32Å; I64-L148 HydrophobicContact CD1-CD1 3.6Å |
| 65 | Q | 88.4 | Confident | 93.4 | Very high | 144 Ų | 144 | 65.1 Ų | 65.1 | 67% | 0.673 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.2 | 178.5 | -79.9 | 179.2 | 15.3 | 0 | 0 | 113.2 | E61 L63 | E61-Q65 WeakPolarHBondContact O-CG 3.44Å; E61-Q65 PolarHBondContact O-N 3.24Å; L63-Q65 VanDerWaalsContact C-N 3.27Å; L63-Q65 PolarHBondContact O-N 2.94Å |
| 66 | S | 84.7 | Confident | 93.4 | Very high | 105 Ų | 105 | 63.4 Ų | 63.4 | 73% | 0.734 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.8 | 178.6 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | L63 I64 | L63-S66 PolarHBondContact O-OG 3.04Å; L63-S66 VanDerWaalsContact O-OG 3.13Å; I64-S66 PolarHBondContact O-N 3.01Å; I64-S66 VanDerWaalsContact O-N 3.12Å |
| 67 | M | 87.8 | Confident | 93.1 | Very high | 51 Ų | 51 | 64.8 Ų | 64.8 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -108.3 | 158.8 | -174.5 | -53.4 | -177.6 | 82.8 | 0 | 0 | 110.4 | I64 I69 S102 D104 I107 | I64-M67 PolarHBondContact O-N 3.37Å; M67-I69 HydrophobicContact CB-CD1 4.44Å; M67-I69 HydrophobicContact CB-CG1 4.21Å; M67-S102 WeakPolarHBondContact CE-O 3.3Å; M67-D104 HydrophobicContact CE-CB 3.97Å; M67-D104 HydrophobicContact SD-CB 4.49Å; M67-I107 HydrophobicContact CE-CD1 4.32Å; M67-I107 HydrophobicContact SD-CD1 3.32Å; M67-I107 WeakPolarHBondContact SD-CD1 3.39Å |
| 68 | H | 84.1 | Confident | 92.9 | Very high | 176 Ų | 176 | 71.4 Ų | 71.4 | 82% | 0.815 | 37% | 0.369 | S | S | * | . | trans | -116 | 94.5 | 173.2 | -69.5 | 26.2 | 0 | 0 | 0 | 107 | ||||
| 69 | I | 86.4 | Confident | 92.7 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | trans | -112.9 | 110 | 176 | -51.7 | 173.5 | 0 | 0 | 0 | 105.5 | I64 M67 A71 I98 E101 I144 | I64-I69 HydrophobicContact CG2-CD1 4.01Å; M67-I69 HydrophobicContact CB-CD1 4.44Å; M67-I69 HydrophobicContact CB-CG1 4.21Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 HydrophobicContact CG2-CB 4.17Å; I69-I98 HydrophobicContact CD1-CG2 4.43Å; I69-E101 HydrophobicContact CG2-CB 3.95Å; I69-E101 VanDerWaalsContact CG2-OE2 3.26Å; I69-E101 WeakPolarHBondContact CG2-OE2 3.46Å; I69-I144 HydrophobicContact CB-CD1 3.43Å; I69-I144 VanDerWaalsContact CB-CD1 3.43Å; I69-I144 HydrophobicContact CD1-CD1 4.4Å; I69-I144 HydrophobicContact CG1-CD1 4.48Å; I69-I144 HydrophobicContact CG2-CD1 3.41Å; I69-I144 VanDerWaalsContact CG2-CD1 3.41Å; I69-I144 WeakPolarHBondContact O-CD1 3.4Å | ||
| 70 | D | 89.2 | Confident | 92.5 | Very high | 151 Ų | 151 | 67.9 Ų | 67.9 | 81% | 0.807 | 36% | 0.357 | S | S | * | . | trans | -94.5 | 15.6 | -174.2 | -66.2 | -27.8 | 0 | 0 | 0 | 112.4 | ||||
| 71 | A | 92.9 | Very high | 92.3 | Very high | 11 Ų | 11 | 72 Ų | 72 | 9% | 0.091 | 38% | 0.384 | C | S | . | . | trans | -61.8 | 141.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I69 L73 V97 E101 | I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 HydrophobicContact CG2-CB 4.17Å; A71-L73 HydrophobicContact CB-CD2 4.27Å; A71-L73 HydrophobicContact CB-CG 4.49Å; A71-V97 HydrophobicContact CB-CG1 4.48Å; A71-E101 VanDerWaalsContact CB-OE2 3.23Å; A71-E101 WeakPolarHBondContact CB-OE2 3.35Å | ||
| 72 | T | 96.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 71.3 Ų | 71.3 | 49% | 0.485 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 132.8 | 162.4 | 53.2 | 0 | 0 | 0 | 0 | 108.3 | E141 K142 | T72-E141 PolarHBondContact OG1-OE2 3.13Å; T72-K142 CarbonylContact C-O 3.54Å; T72-K142 VanDerWaalsContact CA-O 3.32Å; T72-K142 WeakPolarHBondContact CA-O 3.21Å |
| 73 | L | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.5 | -168.6 | -61 | 169.9 | 0 | 0 | 0 | 110.3 | A71 T75 E94 V97 I98 E141 K142 I144 F147 | A71-L73 HydrophobicContact CB-CD2 4.27Å; A71-L73 HydrophobicContact CB-CG 4.49Å; L73-T75 PolarHBondContact O-N 3.15Å; L73-T75 VanDerWaalsContact O-N 3.14Å; L73-T75 PolarHBondContact O-OG1 2.61Å; L73-E94 WeakPolarHBondContact CA-OE2 3.45Å; L73-E94 HydrophobicContact CB-CB 4.34Å; L73-E94 HydrophobicContact CD2-CB 4.33Å; L73-V97 HydrophobicContact CD2-CB 3.75Å; L73-V97 HydrophobicContact CD2-CG1 3.84Å; L73-V97 HydrophobicContact CD2-CG2 4.33Å; L73-I98 HydrophobicContact CD1-CD1 3.6Å; L73-I98 HydrophobicContact CD1-CG1 3.65Å; L73-E141 WeakPolarHBondContact O-CA 3.26Å; L73-K142 PolarHBondContact N-O 3.32Å; L73-K142 PolarHBondContact O-N 3.42Å; L73-I144 HydrophobicContact CD1-CG1 4.06Å; L73-F147 HydrophobicContact CB-CB 4.28Å; L73-F147 HydrophobicContact CB-CD2 3.71Å; L73-F147 HydrophobicContact CB-CE2 4.2Å; L73-F147 HydrophobicContact CB-CG 4.01Å; L73-F147 HydrophobicContact CD1-CB 4.06Å; L73-F147 HydrophobicContact CD1-CD1 3.64Å; L73-F147 HydrophobicContact CD1-CD2 4.09Å; L73-F147 HydrophobicContact CD1-CE1 4.05Å; L73-F147 HydrophobicContact CD1-CE2 4.45Å; L73-F147 HydrophobicContact CD1-CG 3.65Å; L73-F147 HydrophobicContact CD1-CZ 4.43Å |
| 74 | Y | 98.6 | Very high | 92.2 | Very high | 58 Ų | 58 | 67.4 Ų | 67.4 | 23% | 0.227 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 115.9 | 176.9 | -65.8 | -55.4 | 0 | 0 | 0 | 110.7 | E94 C136 E137 E141 | Y74-E94 HydrophobicContact CD2-CG 4.48Å; Y74-E94 PolarHBondContact N-OE2 3.36Å; Y74-C136 WeakPolarHBondContact CB-O 3.38Å; Y74-C136 WeakPolarHBondContact CD1-O 3.03Å; Y74-C136 VanDerWaalsContact CG-O 3.27Å; Y74-E137 HydrophobicContact CE2-CB 4.32Å; Y74-E137 HydrophobicContact CE2-CG 3.92Å; Y74-E141 HydrophobicContact CD1-CG 3.64Å; Y74-E141 HydrophobicContact CE1-CG 3.5Å; Y74-E141 VanDerWaalsContact CE1-CG 3.5Å |
| 75 | T | 98.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 114.1 | -168.3 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | L73 S77 F91 E140 K142 F147 S150 | L73-T75 PolarHBondContact O-N 3.15Å; L73-T75 VanDerWaalsContact O-N 3.14Å; L73-T75 PolarHBondContact O-OG1 2.61Å; T75-S77 PolarHBondContact O-N 3.07Å; T75-F91 HydrophobicContact CG2-CE1 4.13Å; T75-F91 HydrophobicContact CG2-CZ 4.22Å; T75-E140 PolarHBondContact N-O 3.33Å; T75-K142 HydrophobicContact CG2-CD 4.02Å; T75-K142 HydrophobicContact CG2-CG 4.42Å; T75-F147 HydrophobicContact CG2-CD2 4.5Å; T75-F147 WeakPolarHBondContact OG1-CD2 3.42Å; T75-S150 WeakPolarHBondContact CG2-OG 3.46Å |
| 76 | E | 95.9 | Very high | 92.6 | Very high | 35 Ų | 35 | 61.9 Ų | 61.9 | 16% | 0.164 | 34% | 0.343 | C | S | . | . | trans | -84.8 | 112.5 | 169.6 | -175.2 | 53.9 | -87 | 0 | 0 | 110.2 | D78 V79 A87 F91 K134 L139 | E76-D78 PolarHBondContact OE1-N 2.77Å; E76-D78 VanDerWaalsContact OE1-N 3.08Å; E76-V79 HydrophobicContact CB-CG2 4.12Å; E76-V79 HydrophobicContact CG-CB 4.28Å; E76-V79 HydrophobicContact CG-CG2 3.6Å; E76-A87 HydrophobicContact CB-CB 4.32Å; E76-A87 HydrophobicContact CG-CB 4.38Å; E76-F91 HydrophobicContact CB-CE2 4.35Å; E76-F91 WeakPolarHBondContact O-CZ 3.39Å; E76-K134 IonicContact OE2-NZ 3.12Å; E76-L139 HydrophobicContact CB-CD1 4.07Å; E76-L139 HydrophobicContact CB-CD2 4.03Å; E76-L139 HydrophobicContact CG-CD2 4.42Å; E76-L139 WeakPolarHBondContact OE2-CD2 3.33Å | ||
| 77 | S | 92.1 | Very high | 93.2 | Very high | 58 Ų | 58 | 57.3 Ų | 57.3 | 41% | 0.406 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -94.5 | -23.7 | -178 | -60 | 0 | 0 | 0 | 0 | 113.4 | T75 K142 | T75-S77 PolarHBondContact O-N 3.07Å; S77-K142 WeakPolarHBondContact OG-CE 3.44Å; S77-K142 PolarHBondContact OG-NZ 3.15Å |
| 78 | D | 92.6 | Very high | 93.6 | Very high | 142 Ų | 142 | 54.9 Ų | 54.9 | 76% | 0.759 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -124 | 71.7 | 179.8 | -171.2 | 23.7 | 0 | 0 | 0 | 109.8 | E76 H80 | E76-D78 PolarHBondContact OE1-N 2.77Å; E76-D78 VanDerWaalsContact OE1-N 3.08Å; D78-H80 PolarHBondContact O-N 3.42Å; D78-H80 VanDerWaalsContact O-N 3.13Å |
| 79 | V | 92.3 | Very high | 94.2 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | trans | -68.2 | 111.7 | -174.4 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | E76 K84 A87 I154 M157 | E76-V79 HydrophobicContact CB-CG2 4.12Å; E76-V79 HydrophobicContact CG-CB 4.28Å; E76-V79 HydrophobicContact CG-CG2 3.6Å; V79-K84 HydrophobicContact CG1-CB 4.01Å; V79-A87 HydrophobicContact CG1-CB 3.98Å; V79-A87 HydrophobicContact CG2-CB 4.26Å; V79-I154 HydrophobicContact CG1-CD1 3.99Å; V79-I154 HydrophobicContact CG1-CG1 4.26Å; V79-I154 HydrophobicContact CG2-CB 4.26Å; V79-I154 HydrophobicContact CG2-CD1 3.92Å; V79-I154 HydrophobicContact CG2-CG1 4.14Å; V79-M157 HydrophobicContact CB-CE 4.31Å; V79-M157 HydrophobicContact CB-SD 3.9Å; V79-M157 HydrophobicContact CG1-CE 4.2Å; V79-M157 HydrophobicContact CG1-SD 4.16Å | ||
| 80 | H | 93.2 | Very high | 94.8 | Very high | 123 Ų | 123 | 51.1 Ų | 51.1 | 57% | 0.569 | 28% | 0.28 | S | S | * | . | trans | -67.7 | 133.8 | 170.6 | -168.3 | -92.5 | 0 | 0 | 0 | 110.5 | D78 S82 C83 K84 | D78-H80 PolarHBondContact O-N 3.42Å; D78-H80 VanDerWaalsContact O-N 3.13Å; H80-S82 PolarHBondContact CE1-OG 3.07Å; H80-S82 PolarHBondContact ND1-N 3.36Å; H80-S82 PolarHBondContact ND1-OG 2.76Å; H80-S82 PolarHBondContact O-N 3.37Å; H80-C83 PolarHBondContact O-N 3.21Å; H80-K84 PolarHBondContact O-N 2.94Å | ||
| 81 | P | 90.9 | Very high | 95.2 | Very high | 86 Ų | 86 | 44 Ų | 44 | 56% | 0.558 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -56.9 | -26 | -175.3 | -28.6 | 35.1 | 0 | 0 | 0 | 115.6 | C83 K84 M157 | P81-C83 VanDerWaalsContact C-N 3.28Å; P81-K84 WeakPolarHBondContact O-CG 3.25Å; P81-M157 HydrophobicContact CG-CE 4.48Å |
| 82 | S | 92.1 | Very high | 95.5 | Very high | 62 Ų | 62 | 44 Ų | 44 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -78.8 | -8 | 177.3 | 71.6 | 0 | 0 | 0 | 0 | 114.6 | H80 E130 | H80-S82 PolarHBondContact CE1-OG 3.07Å; H80-S82 PolarHBondContact ND1-N 3.36Å; H80-S82 PolarHBondContact ND1-OG 2.76Å; H80-S82 PolarHBondContact O-N 3.37Å; S82-E130 WeakPolarHBondContact O-CB 3.32Å; S82-E130 WeakPolarHBondContact O-CG 3.45Å |
| 83 | C | 95.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -123.1 | 13.5 | -178 | -68.5 | 0 | 0 | 0 | 0 | 112.1 | H80 P81 V85 T86 A87 E130 C133 | H80-C83 PolarHBondContact O-N 3.21Å; P81-C83 VanDerWaalsContact C-N 3.28Å; C83-V85 VanDerWaalsContact C-N 3.29Å; C83-V85 PolarHBondContact O-N 2.89Å; C83-T86 PolarHBondContact O-N 3.25Å; C83-A87 WeakPolarHBondContact O-CB 3.47Å; C83-A87 PolarHBondContact O-N 3.47Å; C83-E130 VanDerWaalsContact C-OE2 3.28Å; C83-E130 VanDerWaalsContact CA-OE2 3.32Å; C83-E130 WeakPolarHBondContact CA-OE2 3.31Å; C83-C133 WeakPolarHBondContact CA-SG 3.26Å; C83-C133 HydrophobicContact CB-CB 3.75Å; C83-C133 WeakPolarHBondContact CB-SG 3.46Å; C83-C133 WeakPolarHBondContact SG-CA 3.28Å; C83-C133 WeakPolarHBondContact SG-CB 3.42Å; C83-C133 CovalentContact SG-SG 2.04Å; C83-C133 PolarHBondContact SG-SG 3.37Å |
| 84 | K | 94 | Very high | 95.5 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.1 | -30.9 | -173.3 | 69.2 | 179.3 | -176.5 | 176 | 0 | 112.5 | V79 H80 P81 M88 E130 F158 T161 | V79-K84 HydrophobicContact CG1-CB 4.01Å; H80-K84 PolarHBondContact O-N 2.94Å; P81-K84 WeakPolarHBondContact O-CG 3.25Å; K84-M88 VanDerWaalsContact O-CB 3.24Å; K84-M88 WeakPolarHBondContact O-CB 2.98Å; K84-M88 PolarHBondContact O-N 3.26Å; K84-E130 PolarHBondContact N-OE1 2.97Å; K84-F158 HydrophobicContact CB-CE2 4.2Å; K84-F158 HydrophobicContact CB-CZ 4.12Å; K84-F158 HydrophobicContact CD-CE1 4.23Å; K84-F158 HydrophobicContact CD-CE2 4.48Å; K84-F158 HydrophobicContact CD-CZ 4.11Å; K84-F158 HydrophobicContact CG-CE1 4.27Å; K84-F158 HydrophobicContact CG-CE2 4.31Å; K84-F158 HydrophobicContact CG-CZ 3.79Å; K84-F158 WeakPolarHBondContact O-CZ 3.43Å; K84-T161 PolarHBondContact NZ-OG1 2.97Å |
| 85 | V | 94.7 | Very high | 95.5 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74 | -41.1 | 177.7 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | C83 M88 K89 L122 I128 E130 F158 | C83-V85 VanDerWaalsContact C-N 3.29Å; C83-V85 PolarHBondContact O-N 2.89Å; V85-M88 PolarHBondContact O-N 3Å; V85-K89 WeakPolarHBondContact O-CG 3.4Å; V85-K89 PolarHBondContact O-N 3.32Å; V85-L122 HydrophobicContact CG1-CD2 4.36Å; V85-I128 HydrophobicContact CG2-CD1 4.02Å; V85-I128 HydrophobicContact CG2-CG2 4.43Å; V85-E130 WeakPolarHBondContact CB-OE1 3.41Å; V85-E130 PolarHBondContact N-OE1 2.97Å; V85-E130 PolarHBondContact N-OE2 2.86Å; V85-F158 HydrophobicContact CG2-CE1 4.35Å; V85-F158 HydrophobicContact CG2-CZ 4.29Å |
| 86 | T | 95.7 | Very high | 95.5 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 176 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | C83 M88 K89 C90 E130 C133 | C83-T86 PolarHBondContact O-N 3.25Å; T86-M88 VanDerWaalsContact C-N 3.33Å; T86-M88 PolarHBondContact O-N 3.08Å; T86-K89 WeakPolarHBondContact O-CB 3.26Å; T86-K89 PolarHBondContact O-N 2.78Å; T86-K89 VanDerWaalsContact O-N 3.11Å; T86-C90 PolarHBondContact O-N 3.02Å; T86-C90 VanDerWaalsContact O-N 3.11Å; T86-E130 VanDerWaalsContact CB-OE2 3.26Å; T86-E130 WeakPolarHBondContact CB-OE2 3.45Å; T86-E130 PolarHBondContact N-OE2 3.34Å; T86-E130 PolarHBondContact OG1-OE2 2.96Å; T86-C133 HydrophobicContact CG2-CB 3.99Å |
| 87 | A | 96.9 | Very high | 95.5 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | E76 V79 C83 K89 C90 F91 I154 | E76-A87 HydrophobicContact CB-CB 4.32Å; E76-A87 HydrophobicContact CG-CB 4.38Å; V79-A87 HydrophobicContact CG1-CB 3.98Å; V79-A87 HydrophobicContact CG2-CB 4.26Å; C83-A87 WeakPolarHBondContact O-CB 3.47Å; C83-A87 PolarHBondContact O-N 3.47Å; A87-K89 VanDerWaalsContact C-N 3.3Å; A87-K89 PolarHBondContact O-N 3.41Å; A87-C90 WeakPolarHBondContact O-CB 3.04Å; A87-C90 PolarHBondContact O-N 2.9Å; A87-C90 VanDerWaalsContact O-N 3.12Å; A87-F91 VanDerWaalsContact O-CD2 3.22Å; A87-F91 WeakPolarHBondContact O-CD2 3.43Å; A87-F91 PolarHBondContact O-N 3.47Å; A87-I154 HydrophobicContact CB-CD1 3.61Å |
| 88 | M | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -39.8 | 175.8 | -179.7 | 60.7 | 70.5 | 0 | 0 | 112.2 | W50 K84 V85 T86 C90 F91 L92 L122 F151 I154 V155 F158 | W50-M88 HydrophobicContact CH2-CE 3.95Å; W50-M88 HydrophobicContact CH2-CG 4.29Å; W50-M88 HydrophobicContact CH2-SD 4.3Å; W50-M88 HydrophobicContact CZ3-CE 3.75Å; W50-M88 HydrophobicContact CZ3-SD 4.11Å; K84-M88 VanDerWaalsContact O-CB 3.24Å; K84-M88 WeakPolarHBondContact O-CB 2.98Å; K84-M88 PolarHBondContact O-N 3.26Å; V85-M88 PolarHBondContact O-N 3Å; T86-M88 VanDerWaalsContact C-N 3.33Å; T86-M88 PolarHBondContact O-N 3.08Å; M88-C90 VanDerWaalsContact C-N 3.34Å; M88-F91 PolarHBondContact O-N 2.95Å; M88-L92 HydrophobicContact CG-CD1 4.38Å; M88-L92 WeakPolarHBondContact O-CG 3.38Å; M88-L92 PolarHBondContact O-N 3.21Å; M88-L122 HydrophobicContact CG-CD1 3.91Å; M88-L122 HydrophobicContact CG-CD2 4.32Å; M88-F151 HydrophobicContact CE-CE2 4.41Å; M88-F151 HydrophobicContact SD-CD2 4.48Å; M88-F151 HydrophobicContact SD-CE2 3.64Å; M88-F151 HydrophobicContact SD-CZ 4.4Å; M88-I154 HydrophobicContact CB-CD1 4.09Å; M88-I154 HydrophobicContact CE-CB 4.48Å; M88-I154 HydrophobicContact CE-CD1 4.37Å; M88-I154 HydrophobicContact CE-CG1 4.11Å; M88-I154 HydrophobicContact CE-CG2 3.85Å; M88-V155 HydrophobicContact CE-CG2 3.83Å; M88-F158 HydrophobicContact CB-CE2 3.95Å; M88-F158 HydrophobicContact CB-CZ 4.13Å; M88-F158 HydrophobicContact CE-CD2 3.49Å; M88-F158 VanDerWaalsContact CE-CD2 3.49Å; M88-F158 HydrophobicContact CE-CE2 3.47Å; M88-F158 VanDerWaalsContact CE-CE2 3.47Å; M88-F158 HydrophobicContact CE-CZ 4.46Å; M88-F158 HydrophobicContact CG-CE2 4.28Å |
| 89 | K | 96.6 | Very high | 95.9 | Very high | 117 Ų | 117 | 39.6 Ų | 39.6 | 51% | 0.509 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 175.4 | -72.3 | 173.7 | 178.9 | 177.7 | 0 | 112 | V85 T86 A87 L92 L93 | V85-K89 WeakPolarHBondContact O-CG 3.4Å; V85-K89 PolarHBondContact O-N 3.32Å; T86-K89 WeakPolarHBondContact O-CB 3.26Å; T86-K89 PolarHBondContact O-N 2.78Å; T86-K89 VanDerWaalsContact O-N 3.11Å; A87-K89 VanDerWaalsContact C-N 3.3Å; A87-K89 PolarHBondContact O-N 3.41Å; K89-L92 PolarHBondContact O-N 3.39Å; K89-L93 WeakPolarHBondContact O-CG 3.47Å; K89-L93 PolarHBondContact O-N 3.42Å |
| 90 | C | 98.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 173.8 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | T86 A87 M88 L92 L93 E94 C136 L139 | T86-C90 PolarHBondContact O-N 3.02Å; T86-C90 VanDerWaalsContact O-N 3.11Å; A87-C90 WeakPolarHBondContact O-CB 3.04Å; A87-C90 PolarHBondContact O-N 2.9Å; A87-C90 VanDerWaalsContact O-N 3.12Å; M88-C90 VanDerWaalsContact C-N 3.34Å; C90-L92 VanDerWaalsContact C-N 3.29Å; C90-L92 PolarHBondContact O-N 3.3Å; C90-L93 PolarHBondContact O-N 3.1Å; C90-L93 VanDerWaalsContact O-N 3.14Å; C90-E94 WeakPolarHBondContact O-CG 3.32Å; C90-E94 PolarHBondContact O-N 3.4Å; C90-C136 WeakPolarHBondContact CA-SG 3.4Å; C90-C136 HydrophobicContact CB-CB 3.74Å; C90-C136 WeakPolarHBondContact CB-SG 3.42Å; C90-C136 WeakPolarHBondContact SG-CA 3.31Å; C90-C136 WeakPolarHBondContact SG-CB 3.47Å; C90-C136 CovalentContact SG-SG 2.04Å; C90-C136 PolarHBondContact SG-SG 3.47Å; C90-L139 HydrophobicContact CB-CD1 4.07Å |
| 91 | F | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.8 | -40.8 | 174.6 | -81.6 | -72.4 | 0 | 0 | 0 | 112.8 | T75 E76 A87 M88 L95 F147 F151 I154 | T75-F91 HydrophobicContact CG2-CE1 4.13Å; T75-F91 HydrophobicContact CG2-CZ 4.22Å; E76-F91 HydrophobicContact CB-CE2 4.35Å; E76-F91 WeakPolarHBondContact O-CZ 3.39Å; A87-F91 VanDerWaalsContact O-CD2 3.22Å; A87-F91 WeakPolarHBondContact O-CD2 3.43Å; A87-F91 PolarHBondContact O-N 3.47Å; M88-F91 PolarHBondContact O-N 2.95Å; F91-L95 WeakPolarHBondContact O-CB 3.33Å; F91-L95 PolarHBondContact O-N 3.47Å; F91-F147 AromaticContact CD1-CD2 3.92Å; F91-F147 HydrophobicContact CD1-CD2 3.92Å; F91-F147 AromaticContact CD1-CE2 3.37Å; F91-F147 HydrophobicContact CD1-CE2 3.37Å; F91-F147 AromaticContact CD1-CZ 3.75Å; F91-F147 HydrophobicContact CD1-CZ 3.75Å; F91-F147 AromaticContact CE1-CD2 3.92Å; F91-F147 HydrophobicContact CE1-CD2 3.92Å; F91-F147 AromaticContact CE1-CE2 3.86Å; F91-F147 HydrophobicContact CE1-CE2 3.86Å; F91-F147 HydrophobicContact CG-CE2 4.37Å; F91-F147 WeakPolarHBondContact O-CZ 3.26Å; F91-F151 HydrophobicContact CB-CD1 3.95Å; F91-F151 HydrophobicContact CB-CD2 3.92Å; F91-F151 HydrophobicContact CB-CE1 3.82Å; F91-F151 HydrophobicContact CB-CE2 3.83Å; F91-F151 HydrophobicContact CB-CG 4.01Å; F91-F151 HydrophobicContact CB-CZ 3.78Å; F91-F151 HydrophobicContact CD1-CB 3.68Å; F91-F151 AromaticContact CD1-CD1 3.87Å; F91-F151 HydrophobicContact CD1-CD1 3.87Å; F91-F151 HydrophobicContact CD1-CD2 4.2Å; F91-F151 AromaticContact CD1-CG 3.67Å; F91-F151 HydrophobicContact CD1-CG 3.67Å; F91-F151 HydrophobicContact CE1-CB 3.93Å; F91-F151 HydrophobicContact CE1-CG 4.4Å; F91-F151 HydrophobicContact CG-CB 4.38Å; F91-F151 HydrophobicContact CG-CD1 4.26Å; F91-F151 HydrophobicContact CG-CD2 4.06Å; F91-F151 HydrophobicContact CG-CE2 4.46Å; F91-F151 AromaticContact CG-CG 3.99Å; F91-F151 HydrophobicContact CG-CG 3.99Å; F91-I154 HydrophobicContact CD2-CD1 4Å; F91-I154 HydrophobicContact CD2-CG2 3.69Å; F91-I154 HydrophobicContact CE2-CB 4.26Å; F91-I154 HydrophobicContact CE2-CD1 4.09Å; F91-I154 HydrophobicContact CE2-CG2 3.75Å; F91-I154 HydrophobicContact CG-CG2 4.35Å; F91-I154 HydrophobicContact CZ-CG2 4.44Å |
| 92 | L | 98.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.3 | -35.1 | 177.8 | -66.5 | 170.9 | 0 | 0 | 0 | 113 | M88 K89 C90 L114 I115 A118 L122 F151 | M88-L92 HydrophobicContact CG-CD1 4.38Å; M88-L92 WeakPolarHBondContact O-CG 3.38Å; M88-L92 PolarHBondContact O-N 3.21Å; K89-L92 PolarHBondContact O-N 3.39Å; C90-L92 VanDerWaalsContact C-N 3.29Å; C90-L92 PolarHBondContact O-N 3.3Å; L92-L114 HydrophobicContact CD2-CD2 3.61Å; L92-I115 HydrophobicContact CD2-CG1 4.1Å; L92-A118 HydrophobicContact CD1-CB 3.81Å; L92-A118 HydrophobicContact CD2-CB 3.66Å; L92-A118 HydrophobicContact CG-CB 4.35Å; L92-L122 HydrophobicContact CD1-CD1 4.15Å; L92-F151 HydrophobicContact CD2-CZ 3.9Å; L92-F151 HydrophobicContact CG-CZ 4.45Å |
| 93 | L | 98.3 | Very high | 96.3 | Very high | 93 Ų | 93 | 42.3 Ų | 42.3 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68 | -49.7 | 175.6 | -72.6 | 170.1 | 0 | 0 | 0 | 110.9 | K89 C90 L95 Q96 | K89-L93 WeakPolarHBondContact O-CG 3.47Å; K89-L93 PolarHBondContact O-N 3.42Å; C90-L93 PolarHBondContact O-N 3.1Å; C90-L93 VanDerWaalsContact O-N 3.14Å; L93-L95 VanDerWaalsContact C-N 3.25Å; L93-L95 PolarHBondContact O-N 3.06Å; L93-Q96 VanDerWaalsContact O-CB 3.25Å; L93-Q96 WeakPolarHBondContact O-CB 3.39Å; L93-Q96 PolarHBondContact O-N 3.31Å |
| 94 | E | 98.3 | Very high | 96.3 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 12% | 0.121 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -29.2 | 180 | -67.1 | -58.3 | 107.3 | 0 | 0 | 112.6 | L73 Y74 C90 Q96 V97 F147 | L73-E94 WeakPolarHBondContact CA-OE2 3.45Å; L73-E94 HydrophobicContact CB-CB 4.34Å; L73-E94 HydrophobicContact CD2-CB 4.33Å; Y74-E94 HydrophobicContact CD2-CG 4.48Å; Y74-E94 PolarHBondContact N-OE2 3.36Å; C90-E94 WeakPolarHBondContact O-CG 3.32Å; C90-E94 PolarHBondContact O-N 3.4Å; E94-Q96 PolarHBondContact O-N 3.37Å; E94-V97 VanDerWaalsContact O-CB 3.28Å; E94-V97 WeakPolarHBondContact O-CB 3.22Å; E94-V97 PolarHBondContact O-N 3.35Å; E94-F147 HydrophobicContact CB-CD2 4.48Å; E94-F147 HydrophobicContact CB-CE2 3.49Å; E94-F147 VanDerWaalsContact CB-CE2 3.49Å; E94-F147 HydrophobicContact CB-CZ 3.68Å; E94-F147 HydrophobicContact CG-CE2 4.29Å |
| 95 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -28.5 | 173 | -168.9 | 67.3 | 0 | 0 | 0 | 112.5 | I60 F91 L93 V97 I98 S99 V111 L114 F147 L148 F151 | I60-L95 HydrophobicContact CD1-CD1 4.08Å; I60-L95 HydrophobicContact CD1-CD2 4.4Å; F91-L95 WeakPolarHBondContact O-CB 3.33Å; F91-L95 PolarHBondContact O-N 3.47Å; L93-L95 VanDerWaalsContact C-N 3.25Å; L93-L95 PolarHBondContact O-N 3.06Å; L95-V97 VanDerWaalsContact C-N 3.27Å; L95-V97 PolarHBondContact O-N 3.12Å; L95-I98 HydrophobicContact CD1-CD1 4.08Å; L95-I98 WeakPolarHBondContact O-CB 3.3Å; L95-I98 PolarHBondContact O-N 3.05Å; L95-S99 PolarHBondContact O-N 3.01Å; L95-S99 VanDerWaalsContact O-N 3.16Å; L95-V111 HydrophobicContact CD1-CG2 4.24Å; L95-V111 HydrophobicContact CD2-CB 4.42Å; L95-V111 HydrophobicContact CD2-CG1 3.94Å; L95-V111 HydrophobicContact CD2-CG2 4.17Å; L95-V111 HydrophobicContact CG-CB 4.42Å; L95-V111 HydrophobicContact CG-CG1 3.84Å; L95-V111 HydrophobicContact CG-CG2 3.87Å; L95-L114 HydrophobicContact CD2-CB 4.45Å; L95-L114 HydrophobicContact CD2-CD1 3.82Å; L95-L114 HydrophobicContact CD2-CD2 3.68Å; L95-L114 HydrophobicContact CD2-CG 4.2Å; L95-F147 HydrophobicContact CD1-CE1 4.29Å; L95-L148 HydrophobicContact CD1-CD2 4.5Å; L95-F151 HydrophobicContact CB-CE1 4.2Å; L95-F151 HydrophobicContact CD1-CE1 4.31Å; L95-F151 HydrophobicContact CD2-CE1 3.99Å; L95-F151 HydrophobicContact CG-CE1 4.39Å |
| 96 | Q | 97.5 | Very high | 96.4 | Very high | 101 Ų | 101 | 49.8 Ų | 49.8 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.1 | -29.2 | 175.4 | -59.7 | -178.5 | -41.6 | 0 | 0 | 111.9 | L93 E94 S99 H100 I115 | L93-Q96 VanDerWaalsContact O-CB 3.25Å; L93-Q96 WeakPolarHBondContact O-CB 3.39Å; L93-Q96 PolarHBondContact O-N 3.31Å; E94-Q96 PolarHBondContact O-N 3.37Å; Q96-S99 PolarHBondContact O-N 3.04Å; Q96-H100 WeakPolarHBondContact O-CB 3.39Å; Q96-H100 PolarHBondContact O-N 3.34Å; Q96-I115 HydrophobicContact CG-CD1 3.72Å |
| 97 | V | 96.7 | Very high | 96.4 | Very high | 46 Ų | 46 | 48 Ų | 48 | 28% | 0.279 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 173.6 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | A71 L73 E94 L95 S99 H100 E101 | A71-V97 HydrophobicContact CB-CG1 4.48Å; L73-V97 HydrophobicContact CD2-CB 3.75Å; L73-V97 HydrophobicContact CD2-CG1 3.84Å; L73-V97 HydrophobicContact CD2-CG2 4.33Å; E94-V97 VanDerWaalsContact O-CB 3.28Å; E94-V97 WeakPolarHBondContact O-CB 3.22Å; E94-V97 PolarHBondContact O-N 3.35Å; L95-V97 VanDerWaalsContact C-N 3.27Å; L95-V97 PolarHBondContact O-N 3.12Å; V97-S99 VanDerWaalsContact C-N 3.33Å; V97-S99 PolarHBondContact O-N 3.36Å; V97-H100 PolarHBondContact O-N 3.17Å; V97-H100 VanDerWaalsContact O-N 3.17Å; V97-E101 HydrophobicContact CG1-CG 4.18Å; V97-E101 WeakPolarHBondContact O-CB 3.31Å; V97-E101 WeakPolarHBondContact O-CG 3.45Å; V97-E101 PolarHBondContact O-N 3.25Å |
| 98 | I | 96.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 174.4 | -62.6 | 174.6 | 0 | 0 | 0 | 110.7 | I60 I64 I69 L73 L95 H100 S102 I107 I144 F147 L148 | I60-I98 HydrophobicContact CG2-CG2 4.36Å; I64-I98 HydrophobicContact CG2-CG2 4.29Å; I69-I98 HydrophobicContact CD1-CG2 4.43Å; L73-I98 HydrophobicContact CD1-CD1 3.6Å; L73-I98 HydrophobicContact CD1-CG1 3.65Å; L95-I98 HydrophobicContact CD1-CD1 4.08Å; L95-I98 WeakPolarHBondContact O-CB 3.3Å; L95-I98 PolarHBondContact O-N 3.05Å; I98-H100 VanDerWaalsContact C-N 3.35Å; I98-H100 PolarHBondContact O-N 2.98Å; I98-S102 WeakPolarHBondContact O-CB 3.13Å; I98-S102 PolarHBondContact O-N 2.98Å; I98-S102 PolarHBondContact O-OG 3.47Å; I98-I107 HydrophobicContact CG2-CG2 4.36Å; I98-I144 HydrophobicContact CD1-CG2 3.81Å; I98-F147 HydrophobicContact CD1-CD1 3.94Å; I98-F147 HydrophobicContact CD1-CE1 3.87Å; I98-L148 HydrophobicContact CD1-CD2 4.42Å |
| 99 | S | 96.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 176.8 | 176 | 0 | 0 | 0 | 0 | 111.8 | L95 Q96 V97 S102 H108 | L95-S99 PolarHBondContact O-N 3.01Å; L95-S99 VanDerWaalsContact O-N 3.16Å; Q96-S99 PolarHBondContact O-N 3.04Å; V97-S99 VanDerWaalsContact C-N 3.33Å; V97-S99 PolarHBondContact O-N 3.36Å; S99-S102 PolarHBondContact O-OG 3.23Å; S99-H108 WeakPolarHBondContact OG-CA 3.36Å; S99-H108 PolarHBondContact OG-ND1 2.92Å; S99-H108 VanDerWaalsContact OG-ND1 3.13Å |
| 100 | H | 95.6 | Very high | 96.4 | Very high | 160 Ų | 160 | 50.3 Ų | 50.3 | 74% | 0.741 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.3 | -46.4 | -177.9 | -173.5 | 68.5 | 0 | 0 | 0 | 112.5 | Q96 V97 I98 | Q96-H100 WeakPolarHBondContact O-CB 3.39Å; Q96-H100 PolarHBondContact O-N 3.34Å; V97-H100 PolarHBondContact O-N 3.17Å; V97-H100 VanDerWaalsContact O-N 3.17Å; I98-H100 VanDerWaalsContact C-N 3.35Å; I98-H100 PolarHBondContact O-N 2.98Å |
| 101 | E | 94.6 | Very high | 96.4 | Very high | 99 Ų | 99 | 50.3 Ų | 50.3 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.8 | -29.1 | -176.7 | -68.2 | -166.6 | -178.5 | 0 | 0 | 113.3 | I69 A71 V97 G103 | I69-E101 HydrophobicContact CG2-CB 3.95Å; I69-E101 VanDerWaalsContact CG2-OE2 3.26Å; I69-E101 WeakPolarHBondContact CG2-OE2 3.46Å; A71-E101 VanDerWaalsContact CB-OE2 3.23Å; A71-E101 WeakPolarHBondContact CB-OE2 3.35Å; V97-E101 HydrophobicContact CG1-CG 4.18Å; V97-E101 WeakPolarHBondContact O-CB 3.31Å; V97-E101 WeakPolarHBondContact O-CG 3.45Å; V97-E101 PolarHBondContact O-N 3.25Å; E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 3.32Å |
| 102 | S | 93.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 55 Ų | 55 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62 | -37.3 | 176.2 | 71 | 0 | 0 | 0 | 0 | 112.3 | M67 I98 S99 D104 | M67-S102 WeakPolarHBondContact CE-O 3.3Å; I98-S102 WeakPolarHBondContact O-CB 3.13Å; I98-S102 PolarHBondContact O-N 2.98Å; I98-S102 PolarHBondContact O-OG 3.47Å; S99-S102 PolarHBondContact O-OG 3.23Å; S102-D104 PolarHBondContact O-N 3.21Å; S102-D104 VanDerWaalsContact O-N 3.14Å; S102-D104 PolarHBondContact OG-N 2.93Å |
| 103 | G | 91.9 | Very high | 96.2 | Very high | 72 Ų | 72 | 58.8 Ų | 58.8 | 74% | 0.742 | 32% | 0.32 | S | S | * | . | trans | 60 | 16 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E101 | E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 3.32Å | ||
| 104 | D | 95.2 | Very high | 96.1 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | trans | -104.4 | 134.8 | -175.2 | -179.7 | -89.1 | 0 | 0 | 0 | 111.4 | M67 S102 D106 I107 H108 | M67-D104 HydrophobicContact CE-CB 3.97Å; M67-D104 HydrophobicContact SD-CB 4.49Å; S102-D104 PolarHBondContact O-N 3.21Å; S102-D104 VanDerWaalsContact O-N 3.14Å; S102-D104 PolarHBondContact OG-N 2.93Å; D104-D106 WeakPolarHBondContact OD1-CA 3.26Å; D104-D106 WeakPolarHBondContact OD1-CB 3.43Å; D104-D106 PolarHBondContact OD1-N 3.27Å; D104-I107 HydrophobicContact CB-CB 4.21Å; D104-I107 HydrophobicContact CB-CD1 4.1Å; D104-I107 HydrophobicContact CB-CG1 4.21Å; D104-I107 PolarHBondContact OD1-N 2.86Å; D104-H108 WeakPolarHBondContact O-CB 3.43Å; D104-H108 PolarHBondContact O-N 3.46Å | ||
| 105 | T | 95.7 | Very high | 96.1 | Very high | 98 Ų | 98 | 54.4 Ų | 54.4 | 60% | 0.601 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -70.7 | -36.7 | -176.6 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | H108 D109 | T105-H108 PolarHBondContact O-N 3.44Å; T105-D109 WeakPolarHBondContact O-CB 3.44Å; T105-D109 VanDerWaalsContact O-CG 3.29Å; T105-D109 PolarHBondContact O-N 2.96Å |
| 106 | D | 95.1 | Very high | 95.9 | Very high | 86 Ų | 86 | 58.1 Ų | 58.1 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.9 | -36.4 | -178.9 | -69.9 | -9.4 | 0 | 0 | 0 | 110.7 | L63 D104 T110 | L63-D106 HydrophobicContact CD1-CB 4.17Å; D104-D106 WeakPolarHBondContact OD1-CA 3.26Å; D104-D106 WeakPolarHBondContact OD1-CB 3.43Å; D104-D106 PolarHBondContact OD1-N 3.27Å; D106-T110 VanDerWaalsContact O-CB 3.3Å; D106-T110 WeakPolarHBondContact O-CB 3.49Å; D106-T110 PolarHBondContact O-N 3.4Å; D106-T110 VanDerWaalsContact O-N 3.08Å; D106-T110 PolarHBondContact O-OG1 3.21Å |
| 107 | I | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 171.1 | -67.5 | 176.6 | 0 | 0 | 0 | 110.2 | L63 I64 M67 I98 D104 D109 T110 V111 | L63-I107 HydrophobicContact CB-CD1 4.04Å; L63-I107 HydrophobicContact CB-CG1 3.83Å; L63-I107 HydrophobicContact CD1-CG1 3.8Å; L63-I107 HydrophobicContact CG-CG1 4.44Å; I64-I107 HydrophobicContact CG2-CD1 3.73Å; M67-I107 HydrophobicContact CE-CD1 4.32Å; M67-I107 HydrophobicContact SD-CD1 3.32Å; M67-I107 WeakPolarHBondContact SD-CD1 3.39Å; I98-I107 HydrophobicContact CG2-CG2 4.36Å; D104-I107 HydrophobicContact CB-CB 4.21Å; D104-I107 HydrophobicContact CB-CD1 4.1Å; D104-I107 HydrophobicContact CB-CG1 4.21Å; D104-I107 PolarHBondContact OD1-N 2.86Å; I107-D109 PolarHBondContact O-N 2.87Å; I107-T110 PolarHBondContact O-N 3.11Å; I107-V111 HydrophobicContact CG2-CG2 4.13Å; I107-V111 WeakPolarHBondContact O-CB 3.33Å; I107-V111 WeakPolarHBondContact O-CG2 3.3Å; I107-V111 PolarHBondContact O-N 3.09Å |
| 108 | H | 97.3 | Very high | 95.6 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.3 | -52.5 | 178.4 | -179 | 70.1 | 0 | 0 | 0 | 112.3 | S99 D104 T105 T110 V111 E112 | S99-H108 WeakPolarHBondContact OG-CA 3.36Å; S99-H108 PolarHBondContact OG-ND1 2.92Å; S99-H108 VanDerWaalsContact OG-ND1 3.13Å; D104-H108 WeakPolarHBondContact O-CB 3.43Å; D104-H108 PolarHBondContact O-N 3.46Å; T105-H108 PolarHBondContact O-N 3.44Å; H108-T110 VanDerWaalsContact C-N 3.28Å; H108-T110 PolarHBondContact O-N 3.46Å; H108-V111 PolarHBondContact O-N 2.94Å; H108-E112 WeakPolarHBondContact O-CB 3.2Å; H108-E112 PolarHBondContact O-N 3.12Å |
| 109 | D | 96.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 56.6 Ų | 56.6 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 179.7 | -70.2 | -2.4 | 0 | 0 | 0 | 111.3 | T105 I107 N113 | T105-D109 WeakPolarHBondContact O-CB 3.44Å; T105-D109 VanDerWaalsContact O-CG 3.29Å; T105-D109 PolarHBondContact O-N 2.96Å; I107-D109 PolarHBondContact O-N 2.87Å; D109-N113 WeakPolarHBondContact O-CB 3.4Å; D109-N113 VanDerWaalsContact O-CG 3.28Å; D109-N113 PolarHBondContact O-N 2.68Å; D109-N113 PolarHBondContact O-ND2 3.04Å |
| 110 | T | 96.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 178.8 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | D56 K59 I60 D106 I107 H108 L114 | D56-T110 HydrophobicContact CB-CG2 3.88Å; K59-T110 HydrophobicContact CB-CG2 4.34Å; K59-T110 HydrophobicContact CD-CG2 3.97Å; K59-T110 HydrophobicContact CG-CG2 4.43Å; K59-T110 PolarHBondContact NZ-OG1 2.89Å; I60-T110 HydrophobicContact CD1-CG2 4.06Å; I60-T110 HydrophobicContact CG1-CG2 3.7Å; D106-T110 VanDerWaalsContact O-CB 3.3Å; D106-T110 WeakPolarHBondContact O-CB 3.49Å; D106-T110 PolarHBondContact O-N 3.4Å; D106-T110 VanDerWaalsContact O-N 3.08Å; D106-T110 PolarHBondContact O-OG1 3.21Å; I107-T110 PolarHBondContact O-N 3.11Å; H108-T110 VanDerWaalsContact C-N 3.28Å; H108-T110 PolarHBondContact O-N 3.46Å; T110-L114 WeakPolarHBondContact O-CB 3.32Å; T110-L114 PolarHBondContact O-N 3.27Å |
| 111 | V | 97.7 | Very high | 94.8 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 176.2 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | I60 L95 I107 H108 L114 I115 | I60-V111 HydrophobicContact CD1-CG2 3.67Å; I60-V111 HydrophobicContact CG1-CG2 4.36Å; L95-V111 HydrophobicContact CD1-CG2 4.24Å; L95-V111 HydrophobicContact CD2-CB 4.42Å; L95-V111 HydrophobicContact CD2-CG1 3.94Å; L95-V111 HydrophobicContact CD2-CG2 4.17Å; L95-V111 HydrophobicContact CG-CB 4.42Å; L95-V111 HydrophobicContact CG-CG1 3.84Å; L95-V111 HydrophobicContact CG-CG2 3.87Å; I107-V111 HydrophobicContact CG2-CG2 4.13Å; I107-V111 WeakPolarHBondContact O-CB 3.33Å; I107-V111 WeakPolarHBondContact O-CG2 3.3Å; I107-V111 PolarHBondContact O-N 3.09Å; H108-V111 PolarHBondContact O-N 2.94Å; V111-L114 PolarHBondContact O-N 3.12Å; V111-I115 HydrophobicContact CG1-CD1 3.74Å; V111-I115 HydrophobicContact CG1-CG1 4.42Å; V111-I115 VanDerWaalsContact O-CG1 3.3Å; V111-I115 WeakPolarHBondContact O-CG1 3.44Å; V111-I115 PolarHBondContact O-N 3.47Å |
| 112 | E | 96.8 | Very high | 94.6 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 48% | 0.477 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 177.6 | -174.1 | 178.9 | -157.7 | 0 | 0 | 111.3 | H108 L114 I115 I116 | H108-E112 WeakPolarHBondContact O-CB 3.2Å; H108-E112 PolarHBondContact O-N 3.12Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 3.31Å; E112-I115 PolarHBondContact O-N 3.4Å; E112-I116 HydrophobicContact CG-CD1 4Å; E112-I116 WeakPolarHBondContact O-CG1 3.33Å; E112-I116 PolarHBondContact O-N 2.74Å |
| 113 | N | 95.6 | Very high | 94.3 | Very high | 90 Ų | 90 | 52.7 Ų | 52.7 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 176.8 | -78.1 | -49.9 | 0 | 0 | 0 | 112 | D109 I115 I116 L117 | D109-N113 WeakPolarHBondContact O-CB 3.4Å; D109-N113 VanDerWaalsContact O-CG 3.28Å; D109-N113 PolarHBondContact O-N 2.68Å; D109-N113 PolarHBondContact O-ND2 3.04Å; N113-I115 PolarHBondContact O-N 3.38Å; N113-I116 PolarHBondContact O-N 3.04Å; N113-L117 VanDerWaalsContact O-CG 3.31Å; N113-L117 WeakPolarHBondContact O-CG 3.44Å; N113-L117 PolarHBondContact O-N 3.29Å |
| 114 | L | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 177.5 | -173.4 | 161.6 | 0 | 0 | 0 | 111.3 | V53 D56 L57 I60 L92 L95 T110 V111 E112 I116 L117 A118 F151 | V53-L114 HydrophobicContact CG1-CD1 4.24Å; V53-L114 HydrophobicContact CG1-CD2 4.1Å; V53-L114 HydrophobicContact CG1-CG 3.98Å; D56-L114 HydrophobicContact CB-CB 4.08Å; D56-L114 HydrophobicContact CB-CD1 3.87Å; D56-L114 HydrophobicContact CB-CG 4.26Å; L57-L114 HydrophobicContact CD2-CD1 3.64Å; L57-L114 HydrophobicContact CG-CD1 3.78Å; I60-L114 HydrophobicContact CD1-CD1 4.19Å; L92-L114 HydrophobicContact CD2-CD2 3.61Å; L95-L114 HydrophobicContact CD2-CB 4.45Å; L95-L114 HydrophobicContact CD2-CD1 3.82Å; L95-L114 HydrophobicContact CD2-CD2 3.68Å; L95-L114 HydrophobicContact CD2-CG 4.2Å; T110-L114 WeakPolarHBondContact O-CB 3.32Å; T110-L114 PolarHBondContact O-N 3.27Å; V111-L114 PolarHBondContact O-N 3.12Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 3.31Å; L114-I116 PolarHBondContact O-N 3.46Å; L114-L117 PolarHBondContact O-N 2.95Å; L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 3.33Å; L114-F151 HydrophobicContact CD2-CZ 4.05Å |
| 115 | I | 96.5 | Very high | 92.9 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 179.4 | -69.8 | 169.1 | 0 | 0 | 0 | 111.1 | L92 Q96 V111 E112 N113 A118 N119 | L92-I115 HydrophobicContact CD2-CG1 4.1Å; Q96-I115 HydrophobicContact CG-CD1 3.72Å; V111-I115 HydrophobicContact CG1-CD1 3.74Å; V111-I115 HydrophobicContact CG1-CG1 4.42Å; V111-I115 VanDerWaalsContact O-CG1 3.3Å; V111-I115 WeakPolarHBondContact O-CG1 3.44Å; V111-I115 PolarHBondContact O-N 3.47Å; E112-I115 PolarHBondContact O-N 3.4Å; N113-I115 PolarHBondContact O-N 3.38Å; I115-A118 PolarHBondContact O-N 3.36Å; I115-N119 VanDerWaalsContact CG2-ND2 3.33Å; I115-N119 WeakPolarHBondContact CG2-ND2 3.36Å; I115-N119 VanDerWaalsContact O-CB 3.32Å; I115-N119 WeakPolarHBondContact O-CB 3.31Å; I115-N119 PolarHBondContact O-N 3.47Å; I115-N119 PolarHBondContact O-ND2 3.06Å |
| 116 | I | 94 | Very high | 91.9 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.1 | -69.4 | 166.8 | 0 | 0 | 0 | 110.4 | E112 N113 L114 N120 | E112-I116 HydrophobicContact CG-CD1 4Å; E112-I116 WeakPolarHBondContact O-CG1 3.33Å; E112-I116 PolarHBondContact O-N 2.74Å; N113-I116 PolarHBondContact O-N 3.04Å; L114-I116 PolarHBondContact O-N 3.46Å; I116-N120 WeakPolarHBondContact O-CB 3.37Å; I116-N120 PolarHBondContact O-N 3.35Å; I116-N120 PolarHBondContact O-ND2 3.01Å; I116-N120 VanDerWaalsContact O-ND2 3.09Å |
| 117 | L | 93.4 | Very high | 91 | Very high | 37 Ų | 37 | 56 Ų | 56 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 177.9 | -71.4 | 172.1 | 0 | 0 | 0 | 111.4 | A48 N52 V53 N113 L114 N119 N120 I121 | A48-L117 HydrophobicContact CB-CD2 3.91Å; N52-L117 HydrophobicContact CB-CD1 3.82Å; V53-L117 HydrophobicContact CG2-CB 4.1Å; N113-L117 VanDerWaalsContact O-CG 3.31Å; N113-L117 WeakPolarHBondContact O-CG 3.44Å; N113-L117 PolarHBondContact O-N 3.29Å; L114-L117 PolarHBondContact O-N 2.95Å; L117-N119 PolarHBondContact O-N 2.82Å; L117-N120 PolarHBondContact O-N 3.34Å; L117-I121 WeakPolarHBondContact O-CD1 3.47Å; L117-I121 VanDerWaalsContact O-CG1 3.26Å; L117-I121 WeakPolarHBondContact O-CG1 3.24Å; L117-I121 PolarHBondContact O-N 3.46Å; L117-I121 VanDerWaalsContact O-N 3.11Å |
| 118 | A | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W50 L92 L114 I115 N120 I121 L122 | W50-A118 HydrophobicContact CH2-CB 4.49Å; W50-A118 HydrophobicContact CZ3-CB 4.19Å; L92-A118 HydrophobicContact CD1-CB 3.81Å; L92-A118 HydrophobicContact CD2-CB 3.66Å; L92-A118 HydrophobicContact CG-CB 4.35Å; L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 3.33Å; I115-A118 PolarHBondContact O-N 3.36Å; A118-N120 PolarHBondContact O-N 3.39Å; A118-I121 PolarHBondContact O-N 3.03Å; A118-L122 WeakPolarHBondContact O-CB 3.32Å; A118-L122 VanDerWaalsContact O-CG 3.28Å; A118-L122 WeakPolarHBondContact O-CG 3.31Å; A118-L122 PolarHBondContact O-N 3.45Å |
| 119 | N | 93.1 | Very high | 89.6 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 178.7 | -78.1 | -34.4 | 0 | 0 | 0 | 112.9 | I115 L117 I121 L122 S123 | I115-N119 VanDerWaalsContact CG2-ND2 3.33Å; I115-N119 WeakPolarHBondContact CG2-ND2 3.36Å; I115-N119 VanDerWaalsContact O-CB 3.32Å; I115-N119 WeakPolarHBondContact O-CB 3.31Å; I115-N119 PolarHBondContact O-N 3.47Å; I115-N119 PolarHBondContact O-ND2 3.06Å; L117-N119 PolarHBondContact O-N 2.82Å; N119-I121 VanDerWaalsContact C-N 3.3Å; N119-I121 PolarHBondContact O-N 2.95Å; N119-L122 PolarHBondContact O-N 3.5Å; N119-S123 WeakPolarHBondContact O-CB 3.31Å; N119-S123 PolarHBondContact O-N 3.17Å; N119-S123 PolarHBondContact O-OG 3.31Å |
| 120 | N | 90.7 | Very high | 89.3 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.7 | -75.1 | -28.7 | 0 | 0 | 0 | 111.5 | A48 I116 L117 A118 S123 S124 | A48-N120 HydrophobicContact CB-CB 3.9Å; I116-N120 WeakPolarHBondContact O-CB 3.37Å; I116-N120 PolarHBondContact O-N 3.35Å; I116-N120 PolarHBondContact O-ND2 3.01Å; I116-N120 VanDerWaalsContact O-ND2 3.09Å; L117-N120 PolarHBondContact O-N 3.34Å; A118-N120 PolarHBondContact O-N 3.39Å; N120-S123 PolarHBondContact O-OG 3.3Å; N120-S123 VanDerWaalsContact O-OG 3.06Å; N120-S124 PolarHBondContact O-N 3.31Å |
| 121 | I | 89.6 | Confident | 89 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.072 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72.7 | -46.1 | 178.1 | -56.2 | 158.9 | 0 | 0 | 0 | 110.9 | A48 W50 L117 A118 N119 S123 S124 N125 | A48-I121 HydrophobicContact CB-CD1 4.12Å; A48-I121 HydrophobicContact CB-CG1 3.55Å; A48-I121 WeakPolarHBondContact O-CG1 3.43Å; W50-I121 HydrophobicContact CD2-CD1 3.82Å; W50-I121 HydrophobicContact CD2-CG2 4.37Å; W50-I121 VanDerWaalsContact CE2-CG2 3.45Å; W50-I121 HydrophobicContact CE3-CD1 4.1Å; W50-I121 HydrophobicContact CG-CD1 4.13Å; W50-I121 HydrophobicContact CZ2-CB 3.94Å; W50-I121 HydrophobicContact CZ2-CD1 4.42Å; W50-I121 HydrophobicContact CZ2-CG2 3.59Å; W50-I121 VanDerWaalsContact NE1-CG2 3.26Å; L117-I121 WeakPolarHBondContact O-CD1 3.47Å; L117-I121 VanDerWaalsContact O-CG1 3.26Å; L117-I121 WeakPolarHBondContact O-CG1 3.24Å; L117-I121 PolarHBondContact O-N 3.46Å; L117-I121 VanDerWaalsContact O-N 3.11Å; A118-I121 PolarHBondContact O-N 3.03Å; N119-I121 VanDerWaalsContact C-N 3.3Å; N119-I121 PolarHBondContact O-N 2.95Å; I121-S123 VanDerWaalsContact C-N 3.33Å; I121-S123 PolarHBondContact O-N 3.31Å; I121-S124 PolarHBondContact O-N 3.43Å; I121-S124 VanDerWaalsContact O-N 3.17Å; I121-S124 PolarHBondContact O-OG 2.85Å; I121-N125 PolarHBondContact O-N 3.26Å |
| 122 | L | 90.4 | Very high | 88.8 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 11% | 0.105 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | -179.8 | -70.9 | 175.3 | 0 | 0 | 0 | 112.3 | W50 V85 M88 L92 A118 N119 S124 N125 F158 | W50-L122 HydrophobicContact CH2-CD2 4.05Å; W50-L122 HydrophobicContact CH2-CG 4.13Å; W50-L122 HydrophobicContact CZ2-CD2 4.12Å; W50-L122 HydrophobicContact CZ2-CG 4.44Å; V85-L122 HydrophobicContact CG1-CD2 4.36Å; M88-L122 HydrophobicContact CG-CD1 3.91Å; M88-L122 HydrophobicContact CG-CD2 4.32Å; L92-L122 HydrophobicContact CD1-CD1 4.15Å; A118-L122 WeakPolarHBondContact O-CB 3.32Å; A118-L122 VanDerWaalsContact O-CG 3.28Å; A118-L122 WeakPolarHBondContact O-CG 3.31Å; A118-L122 PolarHBondContact O-N 3.45Å; N119-L122 PolarHBondContact O-N 3.5Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 2.9Å; L122-N125 PolarHBondContact O-N 3.39Å; L122-F158 HydrophobicContact CD2-CE1 3.87Å; L122-F158 HydrophobicContact CD2-CZ 4.07Å |
| 123 | S | 87.1 | Confident | 88.7 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 58% | 0.58 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.9 | -30.1 | 177.1 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | N119 N120 I121 N125 G126 | N119-S123 WeakPolarHBondContact O-CB 3.31Å; N119-S123 PolarHBondContact O-N 3.17Å; N119-S123 PolarHBondContact O-OG 3.31Å; N120-S123 PolarHBondContact O-OG 3.3Å; N120-S123 VanDerWaalsContact O-OG 3.06Å; I121-S123 VanDerWaalsContact C-N 3.33Å; I121-S123 PolarHBondContact O-N 3.31Å; S123-N125 PolarHBondContact O-N 3.5Å; S123-G126 PolarHBondContact O-N 2.67Å |
| 124 | S | 82.2 | Confident | 88.7 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 61% | 0.608 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.7 | -22.9 | 177.3 | 76.5 | 0 | 0 | 0 | 0 | 113.7 | N120 I121 L122 G126 | N120-S124 PolarHBondContact O-N 3.31Å; I121-S124 PolarHBondContact O-N 3.43Å; I121-S124 VanDerWaalsContact O-N 3.17Å; I121-S124 PolarHBondContact O-OG 2.85Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 2.9Å; S124-G126 PolarHBondContact O-N 3.47Å |
| 125 | N | 74.8 | Confident | 88.7 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 42% | 0.422 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 3.6 | 179.3 | -71.2 | -23.5 | 0 | 0 | 0 | 114 | I121 L122 S123 I128 | I121-N125 PolarHBondContact O-N 3.26Å; L122-N125 PolarHBondContact O-N 3.39Å; S123-N125 PolarHBondContact O-N 3.5Å; N125-I128 HydrophobicContact CB-CD1 4.13Å |
| 126 | G | 75.6 | Confident | 88.7 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 42% | 0.423 | 43% | 0.434 | S | S | . | . | trans | 80 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S123 S124 I128 | S123-G126 PolarHBondContact O-N 2.67Å; S124-G126 PolarHBondContact O-N 3.47Å; G126-I128 PolarHBondContact O-N 2.89Å | ||
| 127 | N | 74.7 | Confident | 88.8 | Confident | 171 Ų | 171 | 74.8 Ų | 74.8 | 91% | 0.914 | 44% | 0.444 | S | S | * | . | trans | -75.9 | 88.2 | 178.7 | -79.1 | -6 | 0 | 0 | 0 | 110.5 | ||||
| 128 | I | 79.9 | Confident | 89 | Confident | 88 Ų | 88 | 78.9 Ų | 78.9 | 45% | 0.451 | 46% | 0.462 | S | S | . | . | trans | -81.3 | 115.5 | 171 | -57.7 | 171.8 | 0 | 0 | 0 | 108 | V85 N125 G126 E130 | V85-I128 HydrophobicContact CG2-CD1 4.02Å; V85-I128 HydrophobicContact CG2-CG2 4.43Å; N125-I128 HydrophobicContact CB-CD1 4.13Å; G126-I128 PolarHBondContact O-N 2.89Å; I128-E130 HydrophobicContact CG2-CG 3.94Å | ||
| 129 | T | 84.3 | Confident | 89.1 | Confident | 135 Ų | 135 | 79.7 Ų | 79.7 | 83% | 0.828 | 47% | 0.466 | S | S | * | . | trans | -96.6 | 108.9 | 169 | 48.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 130 | E | 91.4 | Very high | 89.3 | Confident | 44 Ų | 44 | 82 Ų | 82 | 21% | 0.206 | 47% | 0.474 | C | S | . | . | trans | -90.9 | 150.1 | 170.6 | -58.9 | -179.4 | 153.7 | 0 | 0 | 109.1 | S82 C83 K84 V85 T86 I128 | S82-E130 WeakPolarHBondContact O-CB 3.32Å; S82-E130 WeakPolarHBondContact O-CG 3.45Å; C83-E130 VanDerWaalsContact C-OE2 3.28Å; C83-E130 VanDerWaalsContact CA-OE2 3.32Å; C83-E130 WeakPolarHBondContact CA-OE2 3.31Å; K84-E130 PolarHBondContact N-OE1 2.97Å; V85-E130 WeakPolarHBondContact CB-OE1 3.41Å; V85-E130 PolarHBondContact N-OE1 2.97Å; V85-E130 PolarHBondContact N-OE2 2.86Å; T86-E130 VanDerWaalsContact CB-OE2 3.26Å; T86-E130 WeakPolarHBondContact CB-OE2 3.45Å; T86-E130 PolarHBondContact N-OE2 3.34Å; T86-E130 PolarHBondContact OG1-OE2 2.96Å; I128-E130 HydrophobicContact CG2-CG 3.94Å | ||
| 131 | S | 91.3 | Very high | 89.7 | Confident | 108 Ų | 108 | 82.6 Ų | 82.6 | 76% | 0.755 | 47% | 0.474 | S | S | * | . | trans | -138.4 | 141.6 | -177.6 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | C133 | S131-C133 VanDerWaalsContact C-N 3.29Š| ||
| 132 | G | 92.5 | Very high | 90.1 | Very high | 88 Ų | 88 | 83.4 Ų | 83.4 | 91% | 0.907 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 73.9 | 21.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 133 | C | 95.8 | Very high | 90.3 | Very high | 26 Ų | 26 | 86 Ų | 86 | 18% | 0.176 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 150.8 | 171.1 | -55.6 | 0 | 0 | 0 | 0 | 109.7 | C83 T86 S131 | C83-C133 WeakPolarHBondContact CA-SG 3.26Å; C83-C133 HydrophobicContact CB-CB 3.75Å; C83-C133 WeakPolarHBondContact CB-SG 3.46Å; C83-C133 WeakPolarHBondContact SG-CA 3.28Å; C83-C133 WeakPolarHBondContact SG-CB 3.42Å; C83-C133 CovalentContact SG-SG 2.04Å; C83-C133 PolarHBondContact SG-SG 3.37Å; T86-C133 HydrophobicContact CG2-CB 3.99Å; S131-C133 VanDerWaalsContact C-N 3.29Å |
| 134 | K | 94.9 | Very high | 90.7 | Very high | 112 Ų | 112 | 82.7 Ų | 82.7 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 147.6 | 174 | -63.1 | 176.6 | -172.2 | 165.4 | 0 | 110.3 | E76 E138 L139 | E76-K134 IonicContact OE2-NZ 3.12Å; K134-E138 HydrophobicContact CB-CB 4.2Å; K134-L139 HydrophobicContact CB-CD2 4.3Å; K134-L139 HydrophobicContact CD-CD2 4.06Å |
| 135 | E | 96.2 | Very high | 91.3 | Very high | 122 Ų | 122 | 85.5 Ų | 85.5 | 57% | 0.57 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 160.2 | 163.8 | -59.3 | -61.1 | 148.4 | 0 | 0 | 110.2 | E137 E138 | E135-E137 VanDerWaalsContact C-N 3.3Å; E135-E137 PolarHBondContact O-N 2.86Å; E135-E138 HydrophobicContact CB-CG 4.31Å; E135-E138 WeakPolarHBondContact CB-OE1 3.39Å; E135-E138 PolarHBondContact N-OE1 2.99Å; E135-E138 WeakPolarHBondContact O-CB 3.48Å; E135-E138 PolarHBondContact O-N 3.16Å; E135-E138 VanDerWaalsContact O-N 3.15Å |
| 136 | C | 97.4 | Very high | 92.4 | Very high | 16 Ų | 16 | 85.7 Ų | 85.7 | 11% | 0.108 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -62.7 | -39.3 | -174 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | Y74 C90 E138 L139 | Y74-C136 WeakPolarHBondContact CB-O 3.38Å; Y74-C136 WeakPolarHBondContact CD1-O 3.03Å; Y74-C136 VanDerWaalsContact CG-O 3.27Å; C90-C136 WeakPolarHBondContact CA-SG 3.4Å; C90-C136 HydrophobicContact CB-CB 3.74Å; C90-C136 WeakPolarHBondContact CB-SG 3.42Å; C90-C136 WeakPolarHBondContact SG-CA 3.31Å; C90-C136 WeakPolarHBondContact SG-CB 3.47Å; C90-C136 CovalentContact SG-SG 2.04Å; C90-C136 PolarHBondContact SG-SG 3.47Å; C136-E138 PolarHBondContact O-N 2.89Å; C136-L139 VanDerWaalsContact O-CB 3.25Å; C136-L139 WeakPolarHBondContact O-CB 3.42Å; C136-L139 VanDerWaalsContact O-CG 3.24Å; C136-L139 WeakPolarHBondContact O-CG 3.49Å; C136-L139 PolarHBondContact O-N 3.03Å; C136-L139 VanDerWaalsContact O-N 3.08Å |
| 137 | E | 96.8 | Very high | 93.4 | Very high | 132 Ų | 132 | 83.8 Ų | 83.8 | 62% | 0.617 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -71.3 | -9.4 | -179.5 | -60.1 | 82.2 | 173.6 | 0 | 0 | 113.5 | Y74 E135 | Y74-E137 HydrophobicContact CE2-CB 4.32Å; Y74-E137 HydrophobicContact CE2-CG 3.92Å; E135-E137 VanDerWaalsContact C-N 3.3Å; E135-E137 PolarHBondContact O-N 2.86Å |
| 138 | E | 96.4 | Very high | 94.5 | Very high | 124 Ų | 124 | 75.8 Ų | 75.8 | 58% | 0.579 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -88.5 | -5.8 | 172.6 | -61.4 | 179.4 | -99.3 | 0 | 0 | 112.7 | K134 E135 C136 | K134-E138 HydrophobicContact CB-CB 4.2Å; E135-E138 HydrophobicContact CB-CG 4.31Å; E135-E138 WeakPolarHBondContact CB-OE1 3.39Å; E135-E138 PolarHBondContact N-OE1 2.99Å; E135-E138 WeakPolarHBondContact O-CB 3.48Å; E135-E138 PolarHBondContact O-N 3.16Å; E135-E138 VanDerWaalsContact O-N 3.15Å; C136-E138 PolarHBondContact O-N 2.89Å |
| 139 | L | 97.1 | Very high | 95.3 | Very high | 17 Ų | 17 | 76.7 Ų | 76.7 | 9% | 0.089 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -78.6 | 160.5 | 179.2 | -56.4 | 177.4 | 0 | 0 | 0 | 111.5 | E76 C90 K134 C136 | E76-L139 HydrophobicContact CB-CD1 4.07Å; E76-L139 HydrophobicContact CB-CD2 4.03Å; E76-L139 HydrophobicContact CG-CD2 4.42Å; E76-L139 WeakPolarHBondContact OE2-CD2 3.33Å; C90-L139 HydrophobicContact CB-CD1 4.07Å; K134-L139 HydrophobicContact CB-CD2 4.3Å; K134-L139 HydrophobicContact CD-CD2 4.06Å; C136-L139 VanDerWaalsContact O-CB 3.25Å; C136-L139 WeakPolarHBondContact O-CB 3.42Å; C136-L139 VanDerWaalsContact O-CG 3.24Å; C136-L139 WeakPolarHBondContact O-CG 3.49Å; C136-L139 PolarHBondContact O-N 3.03Å; C136-L139 VanDerWaalsContact O-N 3.08Å |
| 140 | E | 97.1 | Very high | 96 | Very high | 126 Ų | 126 | 70.9 Ų | 70.9 | 59% | 0.589 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 132.8 | 173.8 | -173.8 | -179.7 | -165.8 | 0 | 0 | 110 | T75 K142 | T75-E140 PolarHBondContact N-O 3.33Å; E140-K142 HydrophobicContact CG-CG 4.34Å; E140-K142 WeakPolarHBondContact OE2-CE 3.47Å; E140-K142 IonicContact OE2-NZ 3.83Å; E140-K142 PolarHBondContact OE2-NZ 3.02Å; E140-K142 VanDerWaalsContact OE2-NZ 3.12Å |
| 141 | E | 97.6 | Very high | 96.3 | Very high | 101 Ų | 101 | 68.8 Ų | 68.8 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.1 | 172.5 | -70.8 | -177.2 | -136.7 | 0 | 0 | 110.7 | T72 L73 Y74 | T72-E141 PolarHBondContact OG1-OE2 3.13Å; L73-E141 WeakPolarHBondContact O-CA 3.26Å; Y74-E141 HydrophobicContact CD1-CG 3.64Å; Y74-E141 HydrophobicContact CE1-CG 3.5Å; Y74-E141 VanDerWaalsContact CE1-CG 3.5Å |
| 142 | K | 98 | Very high | 96.5 | Very high | 32 Ų | 32 | 65 Ų | 65 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 160.6 | 179.5 | -59.2 | -166.3 | 178.1 | -167.4 | 0 | 112.1 | T72 L73 T75 S77 E140 E146 | T72-K142 CarbonylContact C-O 3.54Å; T72-K142 VanDerWaalsContact CA-O 3.32Å; T72-K142 WeakPolarHBondContact CA-O 3.21Å; L73-K142 PolarHBondContact N-O 3.32Å; L73-K142 PolarHBondContact O-N 3.42Å; T75-K142 HydrophobicContact CG2-CD 4.02Å; T75-K142 HydrophobicContact CG2-CG 4.42Å; S77-K142 WeakPolarHBondContact OG-CE 3.44Å; S77-K142 PolarHBondContact OG-NZ 3.15Å; E140-K142 HydrophobicContact CG-CG 4.34Å; E140-K142 WeakPolarHBondContact OE2-CE 3.47Å; E140-K142 IonicContact OE2-NZ 3.83Å; E140-K142 PolarHBondContact OE2-NZ 3.02Å; E140-K142 VanDerWaalsContact OE2-NZ 3.12Å; K142-E146 HydrophobicContact CB-CB 3.91Å; K142-E146 HydrophobicContact CD-CB 4.02Å |
| 143 | N | 96.1 | Very high | 96.7 | Very high | 73 Ų | 73 | 65.2 Ų | 65.2 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 161.9 | 172.4 | 62.4 | 65 | 0 | 0 | 0 | 111.1 | K145 E146 F147 | N143-K145 PolarHBondContact O-N 3.47Å; N143-K145 VanDerWaalsContact O-N 3.16Å; N143-K145 WeakPolarHBondContact OD1-CB 3.34Å; N143-K145 PolarHBondContact OD1-N 2.88Å; N143-E146 PolarHBondContact ND2-OE2 3.38Å; N143-E146 PolarHBondContact O-N 3.3Å; N143-E146 VanDerWaalsContact O-N 3.14Å; N143-E146 PolarHBondContact OD1-N 3.49Å; N143-F147 PolarHBondContact O-N 2.88Å |
| 144 | I | 95.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.5 | -37 | -175.3 | -59.8 | 172.8 | 0 | 0 | 0 | 112.7 | I64 I69 L73 I98 F147 L148 | I64-I144 HydrophobicContact CD1-CB 4.41Å; I64-I144 HydrophobicContact CD1-CG2 3.32Å; I69-I144 HydrophobicContact CB-CD1 3.43Å; I69-I144 VanDerWaalsContact CB-CD1 3.43Å; I69-I144 HydrophobicContact CD1-CD1 4.4Å; I69-I144 HydrophobicContact CG1-CD1 4.48Å; I69-I144 HydrophobicContact CG2-CD1 3.41Å; I69-I144 VanDerWaalsContact CG2-CD1 3.41Å; I69-I144 WeakPolarHBondContact O-CD1 3.4Å; L73-I144 HydrophobicContact CD1-CG1 4.06Å; I98-I144 HydrophobicContact CD1-CG2 3.81Å; I144-F147 PolarHBondContact O-N 2.86Å; I144-L148 HydrophobicContact CG2-CD1 3.91Å; I144-L148 HydrophobicContact CG2-CG 4.1Å; I144-L148 WeakPolarHBondContact O-CB 3.41Å; I144-L148 WeakPolarHBondContact O-CG 3.19Å; I144-L148 PolarHBondContact O-N 3.49Å |
| 145 | K | 94.6 | Very high | 96.7 | Very high | 146 Ų | 146 | 58.7 Ų | 58.7 | 64% | 0.635 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.1 | -48 | -179.8 | -177.6 | -179.5 | 178.6 | -179.9 | 0 | 111.3 | N143 F147 Q149 | N143-K145 PolarHBondContact O-N 3.47Å; N143-K145 VanDerWaalsContact O-N 3.16Å; N143-K145 WeakPolarHBondContact OD1-CB 3.34Å; N143-K145 PolarHBondContact OD1-N 2.88Å; K145-F147 VanDerWaalsContact C-N 3.33Å; K145-Q149 WeakPolarHBondContact O-CB 3.21Å; K145-Q149 PolarHBondContact O-N 3.16Å |
| 146 | E | 96.8 | Very high | 96.6 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.3 | -36.3 | 177.2 | -70.8 | 179.5 | 118.1 | 0 | 0 | 112 | K142 N143 S150 | K142-E146 HydrophobicContact CB-CB 3.91Å; K142-E146 HydrophobicContact CD-CB 4.02Å; N143-E146 PolarHBondContact ND2-OE2 3.38Å; N143-E146 PolarHBondContact O-N 3.3Å; N143-E146 VanDerWaalsContact O-N 3.14Å; N143-E146 PolarHBondContact OD1-N 3.49Å; E146-S150 WeakPolarHBondContact O-CB 3.24Å; E146-S150 PolarHBondContact O-N 2.88Å; E146-S150 PolarHBondContact O-OG 3.17Å |
| 147 | F | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -54.9 | 173.1 | 171.7 | -95.5 | 0 | 0 | 0 | 111.5 | L73 T75 F91 E94 L95 I98 N143 I144 K145 Q149 S150 F151 | L73-F147 HydrophobicContact CB-CB 4.28Å; L73-F147 HydrophobicContact CB-CD2 3.71Å; L73-F147 HydrophobicContact CB-CE2 4.2Å; L73-F147 HydrophobicContact CB-CG 4.01Å; L73-F147 HydrophobicContact CD1-CB 4.06Å; L73-F147 HydrophobicContact CD1-CD1 3.64Å; L73-F147 HydrophobicContact CD1-CD2 4.09Å; L73-F147 HydrophobicContact CD1-CE1 4.05Å; L73-F147 HydrophobicContact CD1-CE2 4.45Å; L73-F147 HydrophobicContact CD1-CG 3.65Å; L73-F147 HydrophobicContact CD1-CZ 4.43Å; T75-F147 HydrophobicContact CG2-CD2 4.5Å; T75-F147 WeakPolarHBondContact OG1-CD2 3.42Å; F91-F147 AromaticContact CD1-CD2 3.92Å; F91-F147 HydrophobicContact CD1-CD2 3.92Å; F91-F147 AromaticContact CD1-CE2 3.37Å; F91-F147 HydrophobicContact CD1-CE2 3.37Å; F91-F147 AromaticContact CD1-CZ 3.75Å; F91-F147 HydrophobicContact CD1-CZ 3.75Å; F91-F147 AromaticContact CE1-CD2 3.92Å; F91-F147 HydrophobicContact CE1-CD2 3.92Å; F91-F147 AromaticContact CE1-CE2 3.86Å; F91-F147 HydrophobicContact CE1-CE2 3.86Å; F91-F147 HydrophobicContact CG-CE2 4.37Å; F91-F147 WeakPolarHBondContact O-CZ 3.26Å; E94-F147 HydrophobicContact CB-CD2 4.48Å; E94-F147 HydrophobicContact CB-CE2 3.49Å; E94-F147 VanDerWaalsContact CB-CE2 3.49Å; E94-F147 HydrophobicContact CB-CZ 3.68Å; E94-F147 HydrophobicContact CG-CE2 4.29Å; L95-F147 HydrophobicContact CD1-CE1 4.29Å; I98-F147 HydrophobicContact CD1-CD1 3.94Å; I98-F147 HydrophobicContact CD1-CE1 3.87Å; N143-F147 PolarHBondContact O-N 2.88Å; I144-F147 PolarHBondContact O-N 2.86Å; K145-F147 VanDerWaalsContact C-N 3.33Å; F147-Q149 VanDerWaalsContact C-N 3.32Å; F147-Q149 PolarHBondContact O-N 3.38Å; F147-S150 PolarHBondContact O-N 3.42Å; F147-S150 VanDerWaalsContact O-N 3.15Å; F147-F151 AromaticContact CE1-CD1 3.89Å; F147-F151 HydrophobicContact CE1-CD1 3.89Å; F147-F151 AromaticContact CZ-CD1 3.98Å; F147-F151 HydrophobicContact CZ-CD1 3.98Å; F147-F151 HydrophobicContact CZ-CE1 4.42Å; F147-F151 WeakPolarHBondContact O-CB 3.38Å; F147-F151 PolarHBondContact O-N 3.21Å |
| 148 | L | 97 | Very high | 96.1 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.2 | -38.9 | -179.5 | -70.2 | 177.5 | 0 | 0 | 0 | 112 | L57 I60 E61 I64 L95 I98 I144 F151 V152 | L57-L148 HydrophobicContact CD2-CD2 4.03Å; I60-L148 HydrophobicContact CG2-CD1 4.48Å; I60-L148 HydrophobicContact CG2-CD2 4.44Å; E61-L148 HydrophobicContact CB-CD1 3.93Å; E61-L148 HydrophobicContact CG-CD1 4.27Å; I64-L148 HydrophobicContact CD1-CD1 3.6Å; L95-L148 HydrophobicContact CD1-CD2 4.5Å; I98-L148 HydrophobicContact CD1-CD2 4.42Å; I144-L148 HydrophobicContact CG2-CD1 3.91Å; I144-L148 HydrophobicContact CG2-CG 4.1Å; I144-L148 WeakPolarHBondContact O-CB 3.41Å; I144-L148 WeakPolarHBondContact O-CG 3.19Å; I144-L148 PolarHBondContact O-N 3.49Å; L148-F151 WeakPolarHBondContact O-CB 3.37Å; L148-F151 PolarHBondContact O-N 2.99Å; L148-V152 WeakPolarHBondContact O-CG2 3.36Å; L148-V152 PolarHBondContact O-N 3.38Å |
| 149 | Q | 96.8 | Very high | 95.8 | Very high | 107 Ų | 107 | 49.2 Ų | 49.2 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.5 | -44.9 | 174.8 | -174.4 | 177.5 | -8 | 0 | 0 | 111.7 | K145 F147 F151 V152 H153 | K145-Q149 WeakPolarHBondContact O-CB 3.21Å; K145-Q149 PolarHBondContact O-N 3.16Å; F147-Q149 VanDerWaalsContact C-N 3.32Å; F147-Q149 PolarHBondContact O-N 3.38Å; Q149-F151 VanDerWaalsContact C-N 3.32Å; Q149-V152 PolarHBondContact O-N 3.04Å; Q149-H153 PolarHBondContact O-N 3.34Å; Q149-H153 VanDerWaalsContact O-N 3.15Å |
| 150 | S | 97.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.5 | -34.6 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | T75 E146 F147 H153 I154 | T75-S150 WeakPolarHBondContact CG2-OG 3.46Å; E146-S150 WeakPolarHBondContact O-CB 3.24Å; E146-S150 PolarHBondContact O-N 2.88Å; E146-S150 PolarHBondContact O-OG 3.17Å; F147-S150 PolarHBondContact O-N 3.42Å; F147-S150 VanDerWaalsContact O-N 3.15Å; S150-H153 WeakPolarHBondContact O-CB 3.3Å; S150-H153 PolarHBondContact O-N 2.9Å; S150-I154 PolarHBondContact O-N 3.14Å |
| 151 | F | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 174.4 | -156.7 | 160.2 | 0 | 0 | 0 | 110.8 | L57 M88 F91 L92 L95 L114 F147 L148 Q149 H153 I154 V155 | L57-F151 HydrophobicContact CD1-CB 4.16Å; L57-F151 HydrophobicContact CD1-CD1 4.45Å; L57-F151 HydrophobicContact CD1-CD2 3.94Å; L57-F151 HydrophobicContact CD1-CE2 4.43Å; L57-F151 HydrophobicContact CD1-CG 3.91Å; L57-F151 HydrophobicContact CD2-CB 4.31Å; L57-F151 HydrophobicContact CD2-CD1 3.5Å; L57-F151 VanDerWaalsContact CD2-CD1 3.5Å; L57-F151 HydrophobicContact CD2-CD2 4.39Å; L57-F151 HydrophobicContact CD2-CE1 3.81Å; L57-F151 HydrophobicContact CD2-CG 3.81Å; L57-F151 HydrophobicContact CD2-CZ 4.35Å; M88-F151 HydrophobicContact CE-CE2 4.41Å; M88-F151 HydrophobicContact SD-CD2 4.48Å; M88-F151 HydrophobicContact SD-CE2 3.64Å; M88-F151 HydrophobicContact SD-CZ 4.4Å; F91-F151 HydrophobicContact CB-CD1 3.95Å; F91-F151 HydrophobicContact CB-CD2 3.92Å; F91-F151 HydrophobicContact CB-CE1 3.82Å; F91-F151 HydrophobicContact CB-CE2 3.83Å; F91-F151 HydrophobicContact CB-CG 4.01Å; F91-F151 HydrophobicContact CB-CZ 3.78Å; F91-F151 HydrophobicContact CD1-CB 3.68Å; F91-F151 AromaticContact CD1-CD1 3.87Å; F91-F151 HydrophobicContact CD1-CD1 3.87Å; F91-F151 HydrophobicContact CD1-CD2 4.2Å; F91-F151 AromaticContact CD1-CG 3.67Å; F91-F151 HydrophobicContact CD1-CG 3.67Å; F91-F151 HydrophobicContact CE1-CB 3.93Å; F91-F151 HydrophobicContact CE1-CG 4.4Å; F91-F151 HydrophobicContact CG-CB 4.38Å; F91-F151 HydrophobicContact CG-CD1 4.26Å; F91-F151 HydrophobicContact CG-CD2 4.06Å; F91-F151 HydrophobicContact CG-CE2 4.46Å; F91-F151 AromaticContact CG-CG 3.99Å; F91-F151 HydrophobicContact CG-CG 3.99Å; L92-F151 HydrophobicContact CD2-CZ 3.9Å; L92-F151 HydrophobicContact CG-CZ 4.45Å; L95-F151 HydrophobicContact CB-CE1 4.2Å; L95-F151 HydrophobicContact CD1-CE1 4.31Å; L95-F151 HydrophobicContact CD2-CE1 3.99Å; L95-F151 HydrophobicContact CG-CE1 4.39Å; L114-F151 HydrophobicContact CD2-CZ 4.05Å; F147-F151 AromaticContact CE1-CD1 3.89Å; F147-F151 HydrophobicContact CE1-CD1 3.89Å; F147-F151 AromaticContact CZ-CD1 3.98Å; F147-F151 HydrophobicContact CZ-CD1 3.98Å; F147-F151 HydrophobicContact CZ-CE1 4.42Å; F147-F151 WeakPolarHBondContact O-CB 3.38Å; F147-F151 PolarHBondContact O-N 3.21Å; L148-F151 WeakPolarHBondContact O-CB 3.37Å; L148-F151 PolarHBondContact O-N 2.99Å; Q149-F151 VanDerWaalsContact C-N 3.32Å; F151-H153 VanDerWaalsContact C-N 3.28Å; F151-H153 PolarHBondContact O-N 2.91Å; F151-I154 HydrophobicContact CD2-CG2 3.98Å; F151-I154 WeakPolarHBondContact O-CG2 3.3Å; F151-I154 PolarHBondContact O-N 3.39Å; F151-V155 HydrophobicContact CD2-CG2 3.84Å; F151-V155 HydrophobicContact CE2-CG2 3.92Å; F151-V155 VanDerWaalsContact O-CG2 3.3Å; F151-V155 WeakPolarHBondContact O-CG2 3.35Å; F151-V155 PolarHBondContact O-N 2.75Å |
| 152 | V | 96.9 | Very high | 92 | Very high | 28 Ų | 28 | 54.5 Ų | 54.5 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 174 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | L57 L148 Q149 V155 Q156 | L57-V152 HydrophobicContact CB-CG2 4.28Å; L57-V152 HydrophobicContact CD1-CG2 3.84Å; L148-V152 WeakPolarHBondContact O-CG2 3.36Å; L148-V152 PolarHBondContact O-N 3.38Å; Q149-V152 PolarHBondContact O-N 3.04Å; V152-V155 PolarHBondContact O-N 3Å; V152-Q156 VanDerWaalsContact O-CG 3.31Å; V152-Q156 WeakPolarHBondContact O-CG 3.44Å; V152-Q156 PolarHBondContact O-N 2.93Å |
| 153 | H | 95.9 | Very high | 91.7 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 43% | 0.431 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 178.2 | -65.8 | 160.9 | 0 | 0 | 0 | 112.8 | Q149 S150 F151 V155 Q156 M157 | Q149-H153 PolarHBondContact O-N 3.34Å; Q149-H153 VanDerWaalsContact O-N 3.15Å; S150-H153 WeakPolarHBondContact O-CB 3.3Å; S150-H153 PolarHBondContact O-N 2.9Å; F151-H153 VanDerWaalsContact C-N 3.28Å; F151-H153 PolarHBondContact O-N 2.91Å; H153-V155 VanDerWaalsContact C-N 3.34Å; H153-V155 PolarHBondContact O-N 2.93Å; H153-Q156 WeakPolarHBondContact O-CB 3.21Å; H153-Q156 PolarHBondContact O-N 3.41Å; H153-M157 PolarHBondContact O-N 3.44Å; H153-M157 VanDerWaalsContact O-N 3.17Å |
| 154 | I | 96 | Very high | 91.4 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 178.2 | -168.3 | 176.5 | 0 | 0 | 0 | 111.3 | V79 A87 M88 F91 S150 F151 Q156 M157 F158 | V79-I154 HydrophobicContact CG1-CD1 3.99Å; V79-I154 HydrophobicContact CG1-CG1 4.26Å; V79-I154 HydrophobicContact CG2-CB 4.26Å; V79-I154 HydrophobicContact CG2-CD1 3.92Å; V79-I154 HydrophobicContact CG2-CG1 4.14Å; A87-I154 HydrophobicContact CB-CD1 3.61Å; M88-I154 HydrophobicContact CB-CD1 4.09Å; M88-I154 HydrophobicContact CE-CB 4.48Å; M88-I154 HydrophobicContact CE-CD1 4.37Å; M88-I154 HydrophobicContact CE-CG1 4.11Å; M88-I154 HydrophobicContact CE-CG2 3.85Å; F91-I154 HydrophobicContact CD2-CD1 4Å; F91-I154 HydrophobicContact CD2-CG2 3.69Å; F91-I154 HydrophobicContact CE2-CB 4.26Å; F91-I154 HydrophobicContact CE2-CD1 4.09Å; F91-I154 HydrophobicContact CE2-CG2 3.75Å; F91-I154 HydrophobicContact CG-CG2 4.35Å; F91-I154 HydrophobicContact CZ-CG2 4.44Å; S150-I154 PolarHBondContact O-N 3.14Å; F151-I154 HydrophobicContact CD2-CG2 3.98Å; F151-I154 WeakPolarHBondContact O-CG2 3.3Å; F151-I154 PolarHBondContact O-N 3.39Å; I154-Q156 VanDerWaalsContact C-N 3.28Å; I154-Q156 PolarHBondContact O-N 3.45Å; I154-M157 VanDerWaalsContact O-CB 3.31Å; I154-M157 WeakPolarHBondContact O-CB 3.37Å; I154-M157 PolarHBondContact O-N 3.46Å; I154-F158 HydrophobicContact CD1-CE2 4.41Å; I154-F158 HydrophobicContact CG1-CD2 4.4Å; I154-F158 HydrophobicContact CG1-CE2 4.04Å; I154-F158 VanDerWaalsContact O-CD2 3.31Å; I154-F158 WeakPolarHBondContact O-CD2 3.28Å; I154-F158 PolarHBondContact O-N 3.39Å |
| 155 | V | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | W50 V53 I54 L57 M88 F151 V152 H153 M157 F158 I159 | W50-V155 HydrophobicContact CB-CG1 3.9Å; W50-V155 HydrophobicContact CD2-CG1 4.36Å; W50-V155 HydrophobicContact CE3-CG1 3.86Å; W50-V155 HydrophobicContact CE3-CG2 4.37Å; W50-V155 HydrophobicContact CG-CG1 4.43Å; V53-V155 HydrophobicContact CB-CG1 4.42Å; V53-V155 HydrophobicContact CG1-CG1 4.27Å; V53-V155 HydrophobicContact CG1-CG2 3.77Å; I54-V155 HydrophobicContact CD1-CG1 4Å; I54-V155 HydrophobicContact CG1-CB 4.24Å; I54-V155 HydrophobicContact CG1-CG1 3.57Å; L57-V155 HydrophobicContact CD1-CG2 4.18Å; M88-V155 HydrophobicContact CE-CG2 3.83Å; F151-V155 HydrophobicContact CD2-CG2 3.84Å; F151-V155 HydrophobicContact CE2-CG2 3.92Å; F151-V155 VanDerWaalsContact O-CG2 3.3Å; F151-V155 WeakPolarHBondContact O-CG2 3.35Å; F151-V155 PolarHBondContact O-N 2.75Å; V152-V155 PolarHBondContact O-N 3Å; H153-V155 VanDerWaalsContact C-N 3.34Å; H153-V155 PolarHBondContact O-N 2.93Å; V155-M157 VanDerWaalsContact C-N 3.3Å; V155-M157 PolarHBondContact O-N 3.37Å; V155-F158 WeakPolarHBondContact O-CB 3.34Å; V155-F158 PolarHBondContact O-N 3Å; V155-F158 VanDerWaalsContact O-N 3.1Å; V155-I159 HydrophobicContact CG1-CD1 4.33Å; V155-I159 PolarHBondContact O-N 3.47Å |
| 156 | Q | 93.7 | Very high | 91 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -34.3 | 174.4 | -71.7 | 170.9 | -7 | 0 | 0 | 112.9 | I54 V152 H153 I154 F158 I159 N160 | I54-Q156 HydrophobicContact CD1-CG 4.24Å; V152-Q156 VanDerWaalsContact O-CG 3.31Å; V152-Q156 WeakPolarHBondContact O-CG 3.44Å; V152-Q156 PolarHBondContact O-N 2.93Å; H153-Q156 WeakPolarHBondContact O-CB 3.21Å; H153-Q156 PolarHBondContact O-N 3.41Å; I154-Q156 VanDerWaalsContact C-N 3.28Å; I154-Q156 PolarHBondContact O-N 3.45Å; Q156-F158 VanDerWaalsContact C-N 3.25Å; Q156-F158 PolarHBondContact O-N 3.3Å; Q156-I159 PolarHBondContact O-N 3.38Å; Q156-N160 VanDerWaalsContact O-CG 3.29Å; Q156-N160 PolarHBondContact O-N 3.06Å; Q156-N160 PolarHBondContact O-ND2 3.47Å |
| 157 | M | 92.1 | Very high | 90.6 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.4 | -36.2 | 173.3 | -62.9 | 174.9 | 66.6 | 0 | 0 | 111.8 | V79 P81 H153 I154 V155 T161 | V79-M157 HydrophobicContact CB-CE 4.31Å; V79-M157 HydrophobicContact CB-SD 3.9Å; V79-M157 HydrophobicContact CG1-CE 4.2Å; V79-M157 HydrophobicContact CG1-SD 4.16Å; P81-M157 HydrophobicContact CG-CE 4.48Å; H153-M157 PolarHBondContact O-N 3.44Å; H153-M157 VanDerWaalsContact O-N 3.17Å; I154-M157 VanDerWaalsContact O-CB 3.31Å; I154-M157 WeakPolarHBondContact O-CB 3.37Å; I154-M157 PolarHBondContact O-N 3.46Å; V155-M157 VanDerWaalsContact C-N 3.3Å; V155-M157 PolarHBondContact O-N 3.37Å; M157-T161 WeakPolarHBondContact O-CG2 3.4Å; M157-T161 PolarHBondContact O-N 3.41Å; M157-T161 PolarHBondContact O-OG1 3.43Å |
| 158 | F | 91.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.1 | -40.2 | 175 | -77.2 | -88 | 0 | 0 | 0 | 112.4 | W50 K84 V85 M88 L122 I154 V155 Q156 N160 T161 S162 | W50-F158 HydrophobicContact CD2-CB 3.9Å; W50-F158 VanDerWaalsContact CE2-CB 3.48Å; W50-F158 AromaticContact CE2-CG 3.83Å; W50-F158 HydrophobicContact CG-CB 4.11Å; W50-F158 HydrophobicContact CH2-CD1 4.41Å; W50-F158 HydrophobicContact CH2-CD2 4.45Å; W50-F158 HydrophobicContact CH2-CG 4.26Å; W50-F158 HydrophobicContact CZ2-CB 3.91Å; W50-F158 AromaticContact CZ2-CD1 3.63Å; W50-F158 HydrophobicContact CZ2-CD1 3.63Å; W50-F158 HydrophobicContact CZ2-CD2 4.32Å; W50-F158 HydrophobicContact CZ2-CE1 4.2Å; W50-F158 AromaticContact CZ2-CG 3.7Å; W50-F158 HydrophobicContact CZ2-CG 3.7Å; K84-F158 HydrophobicContact CB-CE2 4.2Å; K84-F158 HydrophobicContact CB-CZ 4.12Å; K84-F158 HydrophobicContact CD-CE1 4.23Å; K84-F158 HydrophobicContact CD-CE2 4.48Å; K84-F158 HydrophobicContact CD-CZ 4.11Å; K84-F158 HydrophobicContact CG-CE1 4.27Å; K84-F158 HydrophobicContact CG-CE2 4.31Å; K84-F158 HydrophobicContact CG-CZ 3.79Å; K84-F158 WeakPolarHBondContact O-CZ 3.43Å; V85-F158 HydrophobicContact CG2-CE1 4.35Å; V85-F158 HydrophobicContact CG2-CZ 4.29Å; M88-F158 HydrophobicContact CB-CE2 3.95Å; M88-F158 HydrophobicContact CB-CZ 4.13Å; M88-F158 HydrophobicContact CE-CD2 3.49Å; M88-F158 VanDerWaalsContact CE-CD2 3.49Å; M88-F158 HydrophobicContact CE-CE2 3.47Å; M88-F158 VanDerWaalsContact CE-CE2 3.47Å; M88-F158 HydrophobicContact CE-CZ 4.46Å; M88-F158 HydrophobicContact CG-CE2 4.28Å; L122-F158 HydrophobicContact CD2-CE1 3.87Å; L122-F158 HydrophobicContact CD2-CZ 4.07Å; I154-F158 HydrophobicContact CD1-CE2 4.41Å; I154-F158 HydrophobicContact CG1-CD2 4.4Å; I154-F158 HydrophobicContact CG1-CE2 4.04Å; I154-F158 VanDerWaalsContact O-CD2 3.31Å; I154-F158 WeakPolarHBondContact O-CD2 3.28Å; I154-F158 PolarHBondContact O-N 3.39Å; V155-F158 WeakPolarHBondContact O-CB 3.34Å; V155-F158 PolarHBondContact O-N 3Å; V155-F158 VanDerWaalsContact O-N 3.1Å; Q156-F158 VanDerWaalsContact C-N 3.25Å; Q156-F158 PolarHBondContact O-N 3.3Å; F158-N160 PolarHBondContact O-N 3.48Å; F158-T161 PolarHBondContact O-N 3.04Å; F158-T161 PolarHBondContact O-OG1 3.13Å; F158-S162 WeakPolarHBondContact O-CB 3.49Å; F158-S162 PolarHBondContact O-N 3.18Å; F158-S162 VanDerWaalsContact O-N 3.12Å; F158-S162 PolarHBondContact O-OG 3.09Å |
| 159 | I | 89.3 | Confident | 89.6 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 175.5 | -66.9 | 169.9 | 0 | 0 | 0 | 111.2 | W50 I54 V155 Q156 T161 S162 | W50-I159 HydrophobicContact CB-CD1 3.93Å; W50-I159 HydrophobicContact CB-CG1 3.4Å; W50-I159 HydrophobicContact CG-CG1 4.18Å; I54-I159 HydrophobicContact CD1-CD1 3.5Å; I54-I159 VanDerWaalsContact CD1-CD1 3.5Å; I54-I159 HydrophobicContact CG1-CD1 4.49Å; V155-I159 HydrophobicContact CG1-CD1 4.33Å; V155-I159 PolarHBondContact O-N 3.47Å; Q156-I159 PolarHBondContact O-N 3.38Å; I159-T161 PolarHBondContact O-N 2.83Å; I159-S162 PolarHBondContact O-N 3.07Å |
| 160 | N | 83.3 | Confident | 89.1 | Confident | 135 Ų | 135 | 52.8 Ų | 52.8 | 72% | 0.722 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -73.5 | -13.7 | -175.9 | -66.2 | -22.3 | 0 | 0 | 0 | 113.7 | Q156 F158 | Q156-N160 VanDerWaalsContact O-CG 3.29Å; Q156-N160 PolarHBondContact O-N 3.06Å; Q156-N160 PolarHBondContact O-ND2 3.47Å; F158-N160 PolarHBondContact O-N 3.48Å |
| 161 | T | 71.5 | Confident | 88.4 | Confident | 92 Ų | 92 | 56.1 Ų | 56.1 | 56% | 0.564 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -107.9 | -3.2 | 179.3 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | K84 M157 F158 I159 | K84-T161 PolarHBondContact NZ-OG1 2.97Å; M157-T161 WeakPolarHBondContact O-CG2 3.4Å; M157-T161 PolarHBondContact O-N 3.41Å; M157-T161 PolarHBondContact O-OG1 3.43Å; F158-T161 PolarHBondContact O-N 3.04Å; F158-T161 PolarHBondContact O-OG1 3.13Å; I159-T161 PolarHBondContact O-N 2.83Å |
| 162 | S | 56.8 | Low | 87.5 | Confident | 129 Ų | 129 | 61.2 Ų | 61.2 | 90% | 0.902 | 34% | 0.34 | S | S | * | . | trans | -90.8 | 0 | 174.6 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | F158 I159 | F158-S162 WeakPolarHBondContact O-CB 3.49Å; F158-S162 PolarHBondContact O-N 3.18Å; F158-S162 VanDerWaalsContact O-N 3.12Å; F158-S162 PolarHBondContact O-OG 3.09Å; I159-S162 PolarHBondContact O-N 3.07Å |
Retrieved 162 of 162 residues in 355.2 ms
(Link to these results)