| 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 | 37.6 | Very low | 31.6 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 100% | 1.089 | 66% | 0.656 | S | S | * | * | 0 | -39.6 | 0 | -72.1 | -153.3 | -89 | 0 | 0 | 114.7 | |||||
| 2 | A | 32.2 | Very low | 31.8 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 72% | 0.719 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.8 | -39.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | W4 K5 | A2-W4 VanDerWaalsContact C-N 3.3Å; A2-W4 PolarHBondContact O-N 3.06Å; A2-K5 PolarHBondContact O-N 2.83Å |
| 3 | W | 27.8 | Very low | 32.5 | Very low | 222 Ų | 222 | 124.2 Ų | 124.2 | 84% | 0.841 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.1 | -30.2 | -177.7 | -99.5 | 69.1 | 0 | 0 | 0 | 114.9 | A6 W7 | W3-A6 PolarHBondContact O-N 3.37Å; W3-W7 PolarHBondContact O-N 3.28Å |
| 4 | W | 29.1 | Very low | 33.1 | Very low | 159 Ų | 159 | 121.8 Ų | 121.8 | 60% | 0.602 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.4 | -39.8 | -177.1 | -177.1 | 35.9 | 0 | 0 | 0 | 112.2 | A2 W7 I8 | A2-W4 VanDerWaalsContact C-N 3.3Å; A2-W4 PolarHBondContact O-N 3.06Å; W4-W7 PolarHBondContact O-N 3.16Å; W4-I8 HydrophobicContact CG-CD1 4.5Å; W4-I8 WeakPolarHBondContact O-CG1 3.2Å; W4-I8 PolarHBondContact O-N 3.03Å |
| 5 | K | 28.7 | Very low | 33.9 | Very low | 159 Ų | 159 | 116.9 Ų | 116.9 | 69% | 0.691 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66 | -43.5 | 175.9 | -75.4 | -170.6 | 171.5 | -172.7 | 0 | 112.4 | A2 W7 I8 E9 | A2-K5 PolarHBondContact O-N 2.83Å; K5-W7 PolarHBondContact O-N 2.98Å; K5-I8 PolarHBondContact O-N 2.78Å; K5-E9 PolarHBondContact O-N 3.27Å |
| 6 | A | 27 | Very low | 34.5 | Very low | 61 Ų | 61 | 119.4 Ų | 119.4 | 50% | 0.504 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.2 | -27.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W3 | W3-A6 PolarHBondContact O-N 3.37Å |
| 7 | W | 31.8 | Very low | 35.2 | Very low | 92 Ų | 92 | 118.5 Ų | 118.5 | 35% | 0.348 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -86.3 | -32.4 | -179.6 | -157.3 | 79.5 | 0 | 0 | 0 | 113.2 | W3 W4 K5 E9 Q10 E11 N327 | W3-W7 PolarHBondContact O-N 3.28Å; W4-W7 PolarHBondContact O-N 3.16Å; K5-W7 PolarHBondContact O-N 2.98Å; W7-E9 PolarHBondContact O-N 2.87Å; W7-Q10 PolarHBondContact O-N 3.12Å; W7-E11 HydrophobicContact CH2-CG 4.15Å; W7-E11 WeakPolarHBondContact CH2-OE2 3.5Å; W7-E11 VanDerWaalsContact CZ2-CD 3.45Å; W7-E11 HydrophobicContact CZ2-CG 4.2Å; W7-E11 VanDerWaalsContact CZ2-OE1 3.3Å; W7-E11 WeakPolarHBondContact CZ2-OE1 3.33Å; W7-N327 HydrophobicContact CZ3-CB 4.22Å; W7-N327 WeakPolarHBondContact CZ3-ND2 3.39Å |
| 8 | I | 34.1 | Very low | 36.2 | Very low | 86 Ų | 86 | 115.7 Ų | 115.7 | 44% | 0.441 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -59.5 | -34.4 | 172.3 | -70.7 | 173.7 | 0 | 0 | 0 | 111.6 | W4 K5 Q10 | W4-I8 HydrophobicContact CG-CD1 4.5Å; W4-I8 WeakPolarHBondContact O-CG1 3.2Å; W4-I8 PolarHBondContact O-N 3.03Å; K5-I8 PolarHBondContact O-N 2.78Å; I8-Q10 PolarHBondContact O-N 3.06Å |
| 9 | E | 32.9 | Very low | 37.6 | Very low | 170 Ų | 170 | 116.6 Ų | 116.6 | 79% | 0.794 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -14.5 | 177.5 | -69.6 | 177 | 163.1 | 0 | 0 | 113.5 | K5 W7 | K5-E9 PolarHBondContact O-N 3.27Å; W7-E9 PolarHBondContact O-N 2.87Å |
| 10 | Q | 33 | Very low | 39.7 | Very low | 154 Ų | 154 | 119 Ų | 119 | 72% | 0.72 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -23.8 | -170.4 | -151.2 | 170.9 | 14 | 0 | 0 | 114.7 | W7 I8 | W7-Q10 PolarHBondContact O-N 3.12Å; I8-Q10 PolarHBondContact O-N 3.06Å |
| 11 | E | 33.7 | Very low | 42.2 | Very low | 100 Ų | 100 | 115.4 Ų | 115.4 | 47% | 0.467 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -116 | 14 | -173.9 | -67.8 | -157.9 | 168.9 | 0 | 0 | 116.1 | W7 V13 | W7-E11 HydrophobicContact CH2-CG 4.15Å; W7-E11 WeakPolarHBondContact CH2-OE2 3.5Å; W7-E11 VanDerWaalsContact CZ2-CD 3.45Å; W7-E11 HydrophobicContact CZ2-CG 4.2Å; W7-E11 VanDerWaalsContact CZ2-OE1 3.3Å; W7-E11 WeakPolarHBondContact CZ2-OE1 3.33Å; E11-V13 VanDerWaalsContact C-N 3.27Å; E11-V13 PolarHBondContact O-N 2.93Å |
| 12 | G | 33.7 | Very low | 45 | Very low | 45 Ų | 45 | 108.7 Ų | 108.7 | 46% | 0.464 | 57% | 0.571 | S | S | . | * | trans | 72.7 | 1.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118 | T14 | G12-T14 PolarHBondContact O-N 3.04Å; G12-T14 PolarHBondContact O-OG1 2.95Å | ||
| 13 | V | 40.9 | Very low | 48.1 | Very low | 58 Ų | 58 | 105.7 Ų | 105.7 | 35% | 0.352 | 55% | 0.545 | S | S | . | . | trans | -69.6 | 78.1 | 165.6 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | E11 V15 | E11-V13 VanDerWaalsContact C-N 3.27Å; E11-V13 PolarHBondContact O-N 2.93Å; V13-V15 VanDerWaalsContact C-N 3.32Å; V13-V15 PolarHBondContact O-N 2.98Å | ||
| 14 | T | 40.6 | Very low | 51.4 | Low | 91 Ų | 91 | 98.6 Ų | 98.6 | 56% | 0.558 | 52% | 0.523 | S | S | * | . | trans | -88.7 | 65.5 | -161.6 | 32.1 | 0 | 0 | 0 | 0 | 112.7 | G12 K16 | G12-T14 PolarHBondContact O-N 3.04Å; G12-T14 PolarHBondContact O-OG1 2.95Å; T14-K16 HydrophobicContact CG2-CG 4.44Å; T14-K16 PolarHBondContact O-N 3.19Å | ||
| 15 | V | 45.6 | Very low | 54.7 | Low | 49 Ų | 49 | 94.1 Ų | 94.1 | 30% | 0.297 | 52% | 0.515 | S | S | . | . | trans | -70.1 | 78.9 | 155.2 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | V13 S17 | V13-V15 VanDerWaalsContact C-N 3.32Å; V13-V15 PolarHBondContact O-N 2.98Å; V15-S17 PolarHBondContact O-N 2.83Å | ||
| 16 | K | 44.1 | Very low | 58 | Low | 156 Ų | 156 | 87.4 Ų | 87.4 | 68% | 0.678 | 49% | 0.486 | S | S | * | . | trans | -69 | 94.4 | -177.8 | -74.9 | -173.1 | 178.6 | -179.1 | 0 | 110.8 | T14 S18 Q93 | T14-K16 HydrophobicContact CG2-CG 4.44Å; T14-K16 PolarHBondContact O-N 3.19Å; K16-S18 PolarHBondContact O-N 2.85Å; K16-Q93 PolarHBondContact O-NE2 2.92Å | ||
| 17 | S | 46.5 | Very low | 61.3 | Low | 105 Ų | 105 | 84.5 Ų | 84.5 | 73% | 0.734 | 46% | 0.462 | S | S | * | . | trans | -73.3 | 77.8 | 165.3 | 66.9 | 0 | 0 | 0 | 0 | 110.4 | V15 | V15-S17 PolarHBondContact O-N 2.83Š| ||
| 18 | S | 52.8 | Low | 64.4 | Low | 67 Ų | 67 | 84 Ų | 84 | 47% | 0.469 | 46% | 0.464 | S | S | . | . | trans | -59.3 | 137.6 | 165.6 | 178 | 0 | 0 | 0 | 0 | 109.8 | K16 H20 | K16-S18 PolarHBondContact O-N 2.85Å; S18-H20 PolarHBondContact O-N 3.08Å; S18-H20 VanDerWaalsContact OG-C 3.26Å; S18-H20 PolarHBondContact OG-N 3.01Å; S18-H20 VanDerWaalsContact OG-N 3.08Å; S18-H20 PolarHBondContact OG-O 3.11Å | ||
| 19 | S | 62.3 | Low | 67.4 | Low | 134 Ų | 134 | 82.6 Ų | 82.6 | 94% | 0.937 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -65 | -12.4 | 169.5 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 20 | H | 79.8 | Confident | 70.5 | Confident | 163 Ų | 163 | 74.5 Ų | 74.5 | 76% | 0.755 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -135.5 | 88.9 | 172.8 | -159.5 | -72.4 | 0 | 0 | 0 | 109 | S18 | S18-H20 PolarHBondContact O-N 3.08Å; S18-H20 VanDerWaalsContact OG-C 3.26Å; S18-H20 PolarHBondContact OG-N 3.01Å; S18-H20 VanDerWaalsContact OG-N 3.08Å; S18-H20 PolarHBondContact OG-O 3.11Å |
| 21 | F | 92.3 | Very high | 73.5 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 19% | 0.193 | 40% | 0.4 | C | S | . | . | trans | -97.6 | 126.5 | 174.5 | 175.6 | -105.2 | 0 | 0 | 0 | 110 | P23 D26 Q93 Q96 I97 | F21-P23 HydrophobicContact CD1-CB 4.5Å; F21-P23 HydrophobicContact CE1-CB 3.84Å; F21-D26 WeakPolarHBondContact CE2-OD2 3.29Å; F21-D26 WeakPolarHBondContact CZ-OD2 3.26Å; F21-Q93 HydrophobicContact CD1-CB 4.28Å; F21-Q93 HydrophobicContact CD1-CG 3.8Å; F21-Q93 HydrophobicContact CD2-CG 4.12Å; F21-Q93 HydrophobicContact CE1-CB 3.84Å; F21-Q93 HydrophobicContact CE1-CG 3.86Å; F21-Q93 HydrophobicContact CE2-CB 4.49Å; F21-Q93 HydrophobicContact CE2-CG 4.21Å; F21-Q93 HydrophobicContact CG-CG 3.92Å; F21-Q93 HydrophobicContact CZ-CB 3.98Å; F21-Q93 HydrophobicContact CZ-CG 4.09Å; F21-Q96 HydrophobicContact CD1-CB 4.45Å; F21-Q96 VanDerWaalsContact CD1-OE1 3.25Å; F21-Q96 HydrophobicContact CE1-CB 4.25Å; F21-I97 HydrophobicContact CE1-CG1 4.13Å; F21-I97 HydrophobicContact CZ-CD1 4.01Å; F21-I97 HydrophobicContact CZ-CG1 3.97Å | ||
| 22 | N | 95.8 | Very high | 76.4 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 43% | 0.428 | 40% | 0.402 | S | S | . | . | trans | -100.7 | 114.2 | 171.5 | -177.3 | -0.4 | 0 | 0 | 0 | 109.2 | D24 | N22-D24 VanDerWaalsContact C-N 3.33Å; N22-D24 WeakPolarHBondContact OD1-CB 3.25Å; N22-D24 VanDerWaalsContact OD1-CG 3.31Å; N22-D24 PolarHBondContact OD1-N 3.08Å; N22-D24 PolarHBondContact OD1-OD2 2.9Å | ||
| 23 | P | 97 | Very high | 79.3 | Confident | 25 Ų | 25 | 69.4 Ų | 69.4 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | trans | -74.6 | -18.4 | 178.5 | 30.1 | -35 | 0 | 0 | 0 | 114.4 | F21 D26 A27 Q96 I97 | F21-P23 HydrophobicContact CD1-CB 4.5Å; F21-P23 HydrophobicContact CE1-CB 3.84Å; P23-D26 PolarHBondContact O-N 3.45Å; P23-A27 PolarHBondContact O-N 3.14Å; P23-Q96 HydrophobicContact CB-CB 4.05Å; P23-Q96 WeakPolarHBondContact CB-O 3.36Å; P23-Q96 HydrophobicContact CG-CB 4.31Å; P23-I97 HydrophobicContact CB-CG1 4.1Å | ||
| 24 | D | 97.6 | Very high | 81.7 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 39% | 0.39 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | -166.3 | -57.2 | -20.3 | 0 | 0 | 0 | 114.3 | N22 D26 A27 E28 S100 Q104 | N22-D24 VanDerWaalsContact C-N 3.33Å; N22-D24 WeakPolarHBondContact OD1-CB 3.25Å; N22-D24 VanDerWaalsContact OD1-CG 3.31Å; N22-D24 PolarHBondContact OD1-N 3.08Å; N22-D24 PolarHBondContact OD1-OD2 2.9Å; D24-D26 PolarHBondContact O-N 3.31Å; D24-A27 PolarHBondContact O-N 3.39Å; D24-E28 PolarHBondContact O-N 3.36Å; D24-S100 WeakPolarHBondContact OD1-CB 3.29Å; D24-S100 PolarHBondContact OD1-OG 3.22Å; D24-Q104 PolarHBondContact O-NE2 2.85Å |
| 25 | P | 98 | Very high | 83.8 | Confident | 65 Ų | 65 | 68.6 Ų | 68.6 | 42% | 0.422 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68 | -33.6 | 177.7 | -20 | 33.8 | 0 | 0 | 0 | 113.1 | T29 | P25-T29 WeakPolarHBondContact O-CB 3.47Å; P25-T29 PolarHBondContact O-N 3Å; P25-T29 PolarHBondContact O-OG1 3.15Å |
| 26 | D | 98 | Very high | 84.5 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.8 | -41.8 | 176 | -75.2 | -22 | 0 | 0 | 0 | 110.4 | F21 P23 D24 T29 L30 V85 R89 I97 | F21-D26 WeakPolarHBondContact CE2-OD2 3.29Å; F21-D26 WeakPolarHBondContact CZ-OD2 3.26Å; P23-D26 PolarHBondContact O-N 3.45Å; D24-D26 PolarHBondContact O-N 3.31Å; D26-T29 WeakPolarHBondContact O-CB 3.3Å; D26-T29 PolarHBondContact O-N 2.92Å; D26-L30 WeakPolarHBondContact O-CG 3.45Å; D26-L30 PolarHBondContact O-N 3.4Å; D26-V85 HydrophobicContact CB-CG1 3.86Å; D26-R89 VanDerWaalsContact CG-NH2 3.27Å; D26-R89 IonicContact OD1-CZ 2.75Å; D26-R89 IonicContact OD1-NE 2.68Å; D26-R89 IonicContact OD1-NH2 3.99Å; D26-R89 PolarHBondContact OD1-NH2 2.87Å; D26-R89 IonicContact OD2-CZ 3.7Å; D26-R89 VanDerWaalsContact OD2-CZ 3.29Å; D26-R89 IonicContact OD2-NE 2.72Å; D26-R89 PolarHBondContact OD2-NE 3.43Å; D26-R89 IonicContact OD2-NH2 2.76Å; D26-R89 PolarHBondContact OD2-NH2 2.66Å; D26-I97 HydrophobicContact CB-CD1 3.74Å; D26-I97 HydrophobicContact CB-CG1 3.82Å; D26-I97 HydrophobicContact CB-CG2 4.37Å |
| 27 | A | 97.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P23 D24 T29 L30 Y31 I97 F101 F105 | P23-A27 PolarHBondContact O-N 3.14Å; D24-A27 PolarHBondContact O-N 3.39Å; A27-T29 VanDerWaalsContact C-N 3.35Å; A27-L30 PolarHBondContact O-N 3.43Å; A27-Y31 WeakPolarHBondContact O-CB 3.39Å; A27-Y31 PolarHBondContact O-N 3.04Å; A27-I97 HydrophobicContact CB-CG2 4.25Å; A27-F101 HydrophobicContact CB-CB 3.99Å; A27-F101 HydrophobicContact CB-CD2 4.5Å; A27-F105 HydrophobicContact CB-CE2 4.43Å |
| 28 | E | 96.9 | Very high | 83.9 | Confident | 83 Ų | 83 | 65.1 Ų | 65.1 | 39% | 0.388 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 175.9 | -158.7 | -158.2 | -177.1 | 0 | 0 | 112 | D24 Y31 K32 F105 | D24-E28 PolarHBondContact O-N 3.36Å; E28-Y31 PolarHBondContact O-N 3.28Å; E28-K32 VanDerWaalsContact CD-CE 3.44Å; E28-K32 HydrophobicContact CG-CD 4.41Å; E28-K32 WeakPolarHBondContact O-CB 3.27Å; E28-K32 WeakPolarHBondContact O-CG 3.48Å; E28-K32 PolarHBondContact O-N 3.48Å; E28-K32 WeakPolarHBondContact OE1-CE 3.46Å; E28-K32 IonicContact OE1-NZ 2.71Å; E28-K32 PolarHBondContact OE1-NZ 2.67Å; E28-K32 IonicContact OE2-NZ 2.9Å; E28-K32 PolarHBondContact OE2-NZ 3.38Å; E28-F105 HydrophobicContact CB-CZ 4.39Å; E28-F105 HydrophobicContact CG-CZ 4.31Å |
| 29 | T | 97.4 | Very high | 83.1 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 175.3 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | P25 D26 A27 Y31 K32 A33 V85 | P25-T29 WeakPolarHBondContact O-CB 3.47Å; P25-T29 PolarHBondContact O-N 3Å; P25-T29 PolarHBondContact O-OG1 3.15Å; D26-T29 WeakPolarHBondContact O-CB 3.3Å; D26-T29 PolarHBondContact O-N 2.92Å; A27-T29 VanDerWaalsContact C-N 3.35Å; T29-Y31 PolarHBondContact O-N 3.35Å; T29-K32 PolarHBondContact O-N 3.36Å; T29-A33 WeakPolarHBondContact O-CB 3.45Å; T29-A33 PolarHBondContact O-N 2.68Å; T29-V85 HydrophobicContact CG2-CG2 3.86Å |
| 30 | L | 96.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 176 | -68.8 | 173.8 | 0 | 0 | 0 | 112.1 | D26 A27 A33 M34 I82 V85 L86 I97 F101 L109 | D26-L30 WeakPolarHBondContact O-CG 3.45Å; D26-L30 PolarHBondContact O-N 3.4Å; A27-L30 PolarHBondContact O-N 3.43Å; L30-A33 PolarHBondContact O-N 3.15Å; L30-M34 HydrophobicContact CB-CE 4.2Å; L30-M34 VanDerWaalsContact O-CE 3.29Å; L30-M34 WeakPolarHBondContact O-CE 3.49Å; L30-M34 PolarHBondContact O-N 3.09Å; L30-M34 VanDerWaalsContact O-N 3.09Å; L30-I82 HydrophobicContact CD2-CB 4.31Å; L30-I82 HydrophobicContact CD2-CG1 4.06Å; L30-I82 HydrophobicContact CD2-CG2 4.38Å; L30-V85 HydrophobicContact CD1-CG1 4.05Å; L30-V85 HydrophobicContact CD2-CB 4.06Å; L30-V85 HydrophobicContact CD2-CG1 4.26Å; L30-V85 HydrophobicContact CD2-CG2 4.45Å; L30-V85 HydrophobicContact CG-CB 4.36Å; L30-V85 HydrophobicContact CG-CG1 4.1Å; L30-L86 HydrophobicContact CD1-CD2 3.86Å; L30-L86 HydrophobicContact CD1-CG 4.32Å; L30-L86 HydrophobicContact CD2-CD1 4.34Å; L30-L86 HydrophobicContact CD2-CG 4.15Å; L30-I97 HydrophobicContact CD1-CG2 3.68Å; L30-F101 HydrophobicContact CB-CD2 4.49Å; L30-F101 HydrophobicContact CB-CE2 4.4Å; L30-L109 HydrophobicContact CD1-CD1 4.18Å; L30-L109 HydrophobicContact CD1-CD2 3.94Å |
| 31 | Y | 95.3 | Very high | 79.9 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 27% | 0.271 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 176.1 | 179.6 | -103.4 | 0 | 0 | 0 | 112.1 | A27 E28 T29 A33 M34 K35 F101 F105 | A27-Y31 WeakPolarHBondContact O-CB 3.39Å; A27-Y31 PolarHBondContact O-N 3.04Å; E28-Y31 PolarHBondContact O-N 3.28Å; T29-Y31 PolarHBondContact O-N 3.35Å; Y31-A33 VanDerWaalsContact C-N 3.32Å; Y31-A33 PolarHBondContact O-N 2.94Å; Y31-M34 PolarHBondContact O-N 3.47Å; Y31-K35 HydrophobicContact CD1-CD 4.46Å; Y31-K35 HydrophobicContact CE1-CD 3.63Å; Y31-K35 VanDerWaalsContact O-CB 3.29Å; Y31-K35 WeakPolarHBondContact O-CB 3.07Å; Y31-K35 PolarHBondContact O-N 3.25Å; Y31-K35 WeakPolarHBondContact OH-CE 3.39Å; Y31-K35 PolarHBondContact OH-NZ 3.36Å; Y31-F101 HydrophobicContact CD2-CE2 4.3Å; Y31-F101 HydrophobicContact CD2-CZ 4.34Å; Y31-F105 AromaticContact CD1-CD1 3.86Å; Y31-F105 HydrophobicContact CD1-CD1 3.86Å; Y31-F105 AromaticContact CD1-CE1 3.63Å; Y31-F105 HydrophobicContact CD1-CE1 3.63Å; Y31-F105 HydrophobicContact CD1-CG 4.43Å; Y31-F105 HydrophobicContact CD1-CZ 4.02Å; Y31-F105 HydrophobicContact CD2-CB 3.88Å; Y31-F105 AromaticContact CD2-CD1 3.65Å; Y31-F105 HydrophobicContact CD2-CD1 3.65Å; Y31-F105 AromaticContact CD2-CD2 3.8Å; Y31-F105 HydrophobicContact CD2-CD2 3.8Å; Y31-F105 HydrophobicContact CD2-CE1 4.17Å; Y31-F105 HydrophobicContact CD2-CE2 4.32Å; Y31-F105 AromaticContact CD2-CG 3.46Å; Y31-F105 HydrophobicContact CD2-CG 3.46Å; Y31-F105 VanDerWaalsContact CD2-CG 3.46Å; Y31-F105 HydrophobicContact CD2-CZ 4.49Å; Y31-F105 AromaticContact CE1-CD1 3.96Å; Y31-F105 HydrophobicContact CE1-CD1 3.96Å; Y31-F105 HydrophobicContact CE1-CE1 4Å; Y31-F105 HydrophobicContact CE2-CB 3.93Å; Y31-F105 AromaticContact CE2-CD1 3.76Å; Y31-F105 HydrophobicContact CE2-CD1 3.76Å; Y31-F105 AromaticContact CE2-CG 3.82Å; Y31-F105 HydrophobicContact CE2-CG 3.82Å; Y31-F105 AromaticContact CG-CD1 3.7Å; Y31-F105 HydrophobicContact CG-CD1 3.7Å; Y31-F105 AromaticContact CG-CD2 3.88Å; Y31-F105 HydrophobicContact CG-CD2 3.88Å; Y31-F105 AromaticContact CG-CE1 3.72Å; Y31-F105 HydrophobicContact CG-CE1 3.72Å; Y31-F105 AromaticContact CG-CE2 3.91Å; Y31-F105 HydrophobicContact CG-CE2 3.91Å; Y31-F105 AromaticContact CG-CG 3.8Å; Y31-F105 HydrophobicContact CG-CG 3.8Å; Y31-F105 AromaticContact CG-CZ 3.84Å; Y31-F105 HydrophobicContact CG-CZ 3.84Å; Y31-F105 AromaticContact CZ-CD1 3.9Å |
| 32 | K | 94.8 | Very high | 77.2 | Confident | 117 Ų | 117 | 69.2 Ų | 69.2 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 174.7 | -72.9 | 168 | -178.5 | 164.6 | 0 | 112.2 | E28 T29 M34 | E28-K32 VanDerWaalsContact CD-CE 3.44Å; E28-K32 HydrophobicContact CG-CD 4.41Å; E28-K32 WeakPolarHBondContact O-CB 3.27Å; E28-K32 WeakPolarHBondContact O-CG 3.48Å; E28-K32 PolarHBondContact O-N 3.48Å; E28-K32 WeakPolarHBondContact OE1-CE 3.46Å; E28-K32 IonicContact OE1-NZ 2.71Å; E28-K32 PolarHBondContact OE1-NZ 2.67Å; E28-K32 IonicContact OE2-NZ 2.9Å; E28-K32 PolarHBondContact OE2-NZ 3.38Å; T29-K32 PolarHBondContact O-N 3.36Å; K32-M34 VanDerWaalsContact C-N 3.35Å |
| 33 | A | 94.4 | Very high | 74.3 | Confident | 6 Ų | 6 | 73.4 Ų | 73.4 | 5% | 0.05 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T29 L30 Y31 T77 N78 A81 I82 | T29-A33 WeakPolarHBondContact O-CB 3.45Å; T29-A33 PolarHBondContact O-N 2.68Å; L30-A33 PolarHBondContact O-N 3.15Å; Y31-A33 VanDerWaalsContact C-N 3.32Å; Y31-A33 PolarHBondContact O-N 2.94Å; A33-T77 CarbonylContact O-C 3.53Å; A33-T77 WeakPolarHBondContact O-CA 3.35Å; A33-N78 HydrophobicContact CB-CB 4.06Å; A33-N78 PolarHBondContact O-N 3.2Å; A33-A81 HydrophobicContact CB-CB 3.91Å; A33-I82 HydrophobicContact CB-CG1 4.06Å |
| 34 | M | 92.9 | Very high | 71.4 | Confident | 11 Ų | 11 | 80.1 Ų | 80.1 | 5% | 0.054 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -95.7 | -22.4 | -178.1 | -70.6 | -178.2 | -68.4 | 0 | 0 | 114.4 | L30 Y31 K32 G36 T77 I82 F101 L109 T112 L113 E116 | L30-M34 HydrophobicContact CB-CE 4.2Å; L30-M34 VanDerWaalsContact O-CE 3.29Å; L30-M34 WeakPolarHBondContact O-CE 3.49Å; L30-M34 PolarHBondContact O-N 3.09Å; L30-M34 VanDerWaalsContact O-N 3.09Å; Y31-M34 PolarHBondContact O-N 3.47Å; K32-M34 VanDerWaalsContact C-N 3.35Å; M34-G36 PolarHBondContact O-N 3.37Å; M34-T77 HydrophobicContact CG-CG2 4.47Å; M34-I82 HydrophobicContact CG-CD1 3.98Å; M34-F101 HydrophobicContact CE-CE2 3.65Å; M34-F101 HydrophobicContact CE-CZ 3.63Å; M34-L109 HydrophobicContact CE-CD1 3.8Å; M34-T112 HydrophobicContact CE-CG2 3.96Å; M34-T112 HydrophobicContact SD-CG2 3.72Å; M34-L113 HydrophobicContact CE-CD2 4.45Å; M34-L113 HydrophobicContact SD-CD2 3.69Å; M34-L113 HydrophobicContact SD-CG 4.14Å; M34-E116 HydrophobicContact CB-CG 4.11Å; M34-E116 HydrophobicContact CG-CB 4.24Å; M34-E116 HydrophobicContact CG-CG 4.22Å; M34-E116 HydrophobicContact SD-CB 4.35Å; M34-E116 HydrophobicContact SD-CG 4.23Å |
| 35 | K | 82.9 | Confident | 68.3 | Low | 122 Ų | 122 | 81.7 Ų | 81.7 | 53% | 0.53 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -70.7 | -11 | -177.6 | -170.3 | 171 | -173.6 | 168.9 | 0 | 114.3 | Y31 | Y31-K35 HydrophobicContact CD1-CD 4.46Å; Y31-K35 HydrophobicContact CE1-CD 3.63Å; Y31-K35 VanDerWaalsContact O-CB 3.29Å; Y31-K35 WeakPolarHBondContact O-CB 3.07Å; Y31-K35 PolarHBondContact O-N 3.25Å; Y31-K35 WeakPolarHBondContact OH-CE 3.39Å; Y31-K35 PolarHBondContact OH-NZ 3.36Å |
| 36 | G | 62.2 | Low | 65.2 | Low | 11 Ų | 11 | 87.8 Ų | 87.8 | 11% | 0.113 | 49% | 0.493 | C | S | . | . | trans | 74.3 | 146.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M34 G38 | M34-G36 PolarHBondContact O-N 3.37Å; G36-G38 PolarHBondContact O-N 3.42Å | ||
| 37 | I | 40.9 | Very low | 62.2 | Low | 162 Ų | 162 | 96.3 Ų | 96.3 | 83% | 0.831 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -76.4 | 77.7 | 177.6 | -54.7 | 178.8 | 0 | 0 | 0 | 109 | ||
| 38 | G | 36.4 | Very low | 59 | Low | 63 Ų | 63 | 101.5 Ų | 101.5 | 65% | 0.649 | 58% | 0.575 | S | S | * | * | trans | -146.2 | 31.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G36 G40 | G36-G38 PolarHBondContact O-N 3.42Å; G38-G40 PolarHBondContact O-N 2.88Å | ||
| 39 | V | 36.7 | Very low | 55.9 | Low | 126 Ų | 126 | 102.6 Ų | 102.6 | 76% | 0.764 | 60% | 0.598 | S | S | * | * | trans | -85.4 | 67.7 | 173.3 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 40 | G | 36 | Very low | 52.7 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 73% | 0.732 | 62% | 0.618 | S | S | * | * | trans | -92 | 97.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G38 | G38-G40 PolarHBondContact O-N 2.88Š| ||
| 41 | S | 37.4 | Very low | 49.5 | Very low | 107 Ų | 107 | 114.6 Ų | 114.6 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | trans | 59.9 | 111.6 | 167.1 | -163.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 42 | Q | 36 | Very low | 46.4 | Very low | 191 Ų | 191 | 115 Ų | 115 | 89% | 0.893 | 68% | 0.68 | S | S | * | * | -165 | 67.1 | 126.6 | -110.5 | 179.2 | 13.1 | 0 | 0 | 111.7 | |||||
| 43 | L | 36 | Very low | 43.3 | Very low | 168 Ų | 168 | 118.9 Ų | 118.9 | 88% | 0.88 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -154.1 | 83.4 | 160.8 | -105.4 | 171.6 | 0 | 0 | 0 | 107.3 | ||
| 44 | L | 34.8 | Very low | 40.6 | Very low | 166 Ų | 166 | 123.7 Ų | 123.7 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 177.7 | 142.3 | 150.4 | -97.9 | 166 | 0 | 0 | 0 | 111.6 | ||
| 45 | S | 32.4 | Very low | 37.7 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | 50 | 105.5 | 162.4 | 56.6 | 0 | 0 | 0 | 0 | 120.1 | Q47 | S45-Q47 PolarHBondContact O-N 3.39Š| ||
| 46 | H | 33.9 | Very low | 35.3 | Very low | 193 Ų | 193 | 128.4 Ų | 128.4 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -63.2 | 116.9 | 141.3 | -85.7 | -78.2 | 0 | 0 | 0 | 109.6 | ||||
| 47 | Q | 33.5 | Very low | 33.9 | Very low | 196 Ų | 196 | 132.8 Ų | 132.8 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | 172.1 | 118 | 134.8 | -96.4 | 168.8 | 19.6 | 0 | 0 | 109.2 | S45 | S45-Q47 PolarHBondContact O-N 3.39Š| ||
| 48 | A | 30.3 | Very low | 33.5 | Very low | 109 Ų | 109 | 133 Ų | 133 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -127.7 | 111.4 | 169 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 49 | A | 31.8 | Very low | 33.3 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | -96.8 | 135 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 50 | A | 32.1 | Very low | 33 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -84.1 | 142.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 51 | F | 29.4 | Very low | 32.8 | Very low | 215 Ų | 215 | 138.2 Ų | 138.2 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | trans | -148.3 | 155.5 | 152.9 | -99.1 | -76 | 0 | 0 | 0 | 109.8 | ||||
| 52 | A | 30.5 | Very low | 32.5 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 64% | 0.636 | 82% | 0.823 | S | S | * | * | trans | -139.1 | 170.2 | -166 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 53 | F | 27.8 | Very low | 33.3 | Very low | 199 Ų | 199 | 133.5 Ų | 133.5 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | 77.8 | 159.6 | 172 | -67.1 | -89.5 | 0 | 0 | 0 | 117.3 | ||||
| 54 | P | 39.1 | Very low | 33 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | -146 | 161.5 | -56.6 | 40.5 | -23.4 | 0 | 0 | 0 | 117.8 | |||||
| 55 | S | 32.4 | Very low | 32.6 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 57.7 | 157.6 | 140.3 | -150.5 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 56 | S | 31.2 | Very low | 32.6 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 84.1 | 142.6 | 176.8 | 79.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 57 | A | 33.3 | Very low | 32.5 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | cis | -147.8 | -178.4 | 2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 58 | L | 33.2 | Very low | 32.3 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | trans | -95 | 137.3 | -174.7 | -79.1 | 155.1 | 0 | 0 | 0 | 115.1 | ||||
| 59 | T | 32.6 | Very low | 32.6 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | 177.6 | 163.9 | 149 | 35.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 60 | S | 29.3 | Very low | 32.7 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | cis | -166.7 | 122.2 | -36.8 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 61 | V | 31.6 | Very low | 32.8 | Very low | 132 Ų | 132 | 136 Ų | 136 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | 55.2 | 94.1 | 147.7 | -171.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 62 | S | 32.2 | Very low | 32.9 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 77.9 | 173.7 | 126.1 | 84.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 63 | P | 51.9 | Low | 33 | Very low | 94 Ų | 94 | 133 Ų | 133 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | cis | -132.7 | -179.7 | -35.5 | 21.9 | 1.3 | 0 | 0 | 0 | 114.7 | ||||
| 64 | W | 29.5 | Very low | 33.7 | Very low | 248 Ų | 248 | 129.6 Ų | 129.6 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | 81.4 | 127.3 | 165.8 | -50.9 | 101.8 | 0 | 0 | 0 | 118.9 | ||||
| 65 | G | 27.2 | Very low | 34.5 | Very low | 71 Ų | 71 | 128.2 Ų | 128.2 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | 164.1 | 103.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q67 | G65-Q67 PolarHBondContact O-N 2.68Š| ||
| 66 | Q | 32.1 | Very low | 36.4 | Very low | 197 Ų | 197 | 124.9 Ų | 124.9 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | trans | -43 | 120.7 | -172.9 | -66.3 | 174.7 | -10 | 0 | 0 | 114.2 | G68 | Q66-G68 PolarHBondContact O-N 2.88Š| ||
| 67 | Q | 30.8 | Very low | 39.1 | Very low | 186 Ų | 186 | 120.6 Ų | 120.6 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | trans | -75 | 73.9 | 165.2 | -154.5 | 98.2 | 37 | 0 | 0 | 109 | G65 H69 | G65-Q67 PolarHBondContact O-N 2.68Å; Q67-H69 PolarHBondContact O-N 3.23Å | ||
| 68 | G | 30.5 | Very low | 42.1 | Very low | 49 Ų | 49 | 119 Ų | 119 | 51% | 0.505 | 70% | 0.7 | S | S | . | * | trans | -57.8 | 125.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q66 L70 | Q66-G68 PolarHBondContact O-N 2.88Å; G68-L70 PolarHBondContact O-N 3.17Å | ||
| 69 | H | 36.3 | Very low | 45 | Very low | 180 Ų | 180 | 114 Ų | 114 | 83% | 0.833 | 67% | 0.672 | S | S | * | * | trans | -65.7 | 84.8 | 167.1 | -89.8 | -66 | 0 | 0 | 0 | 108.3 | Q67 C71 | Q67-H69 PolarHBondContact O-N 3.23Å; H69-C71 PolarHBondContact O-N 3.14Å | ||
| 70 | L | 33.8 | Very low | 48.1 | Very low | 144 Ų | 144 | 111.3 Ų | 111.3 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | trans | -63 | 99.2 | 151.4 | -84.3 | 87.2 | 0 | 0 | 0 | 106.1 | G68 C72 | G68-L70 PolarHBondContact O-N 3.17Å; L70-C72 PolarHBondContact O-N 2.59Å | ||
| 71 | C | 33.8 | Very low | 51.3 | Low | 114 Ų | 114 | 107.6 Ų | 107.6 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | trans | -68.4 | 71.3 | 159.4 | -66.3 | 0 | 0 | 0 | 0 | 108.3 | H69 N73 | H69-C71 PolarHBondContact O-N 3.14Å; C71-N73 PolarHBondContact O-N 3.5Å | ||
| 72 | C | 31.6 | Very low | 54.5 | Low | 89 Ų | 89 | 101.3 Ų | 101.3 | 60% | 0.601 | 59% | 0.587 | S | S | * | * | trans | -65.3 | 99.6 | 165.9 | -68.6 | 0 | 0 | 0 | 0 | 107.8 | L70 P74 | L70-C72 PolarHBondContact O-N 2.59Å; C72-P74 WeakPolarHBondContact O-CD 3.25Å | ||
| 73 | N | 33.9 | Very low | 57.6 | Low | 140 Ų | 140 | 96.4 Ų | 96.4 | 75% | 0.749 | 55% | 0.553 | S | S | * | * | trans | -75.3 | 113.4 | 158.6 | -95.3 | 0.5 | 0 | 0 | 0 | 107.6 | C71 A75 | C71-N73 PolarHBondContact O-N 3.5Å; N73-A75 PolarHBondContact O-N 2.82Å; N73-A75 VanDerWaalsContact O-N 3.16Å | ||
| 74 | P | 41.7 | Very low | 59.8 | Low | 126 Ų | 126 | 94.9 Ų | 94.9 | 82% | 0.818 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -79.3 | 8.9 | -176.8 | -12.7 | 31.8 | 0 | 0 | 0 | 113.8 | C72 | C72-P74 WeakPolarHBondContact O-CD 3.25Š|
| 75 | A | 56.3 | Low | 63 | Low | 78 Ų | 78 | 83.4 Ų | 83.4 | 65% | 0.645 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -138 | 115.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107 | N73 | N73-A75 PolarHBondContact O-N 2.82Å; N73-A75 VanDerWaalsContact O-N 3.16Å |
| 76 | G | 72.1 | Confident | 66.4 | Low | 46 Ų | 46 | 80 Ų | 80 | 47% | 0.474 | 46% | 0.462 | S | S | . | . | trans | -148.6 | 136.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 77 | T | 88.6 | Confident | 69.5 | Low | 27 Ų | 27 | 71.1 Ų | 71.1 | 17% | 0.166 | 42% | 0.421 | C | S | . | . | trans | -68.2 | 155 | 170.4 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | A33 M34 I82 E116 L117 | A33-T77 CarbonylContact O-C 3.53Å; A33-T77 WeakPolarHBondContact O-CA 3.35Å; M34-T77 HydrophobicContact CG-CG2 4.47Å; T77-I82 HydrophobicContact CG2-CD1 3.52Å; T77-E116 PolarHBondContact OG1-O 2.85Å; T77-L117 HydrophobicContact CG2-CD2 3.96Å | ||
| 78 | N | 94.6 | Very high | 72.6 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | trans | -108.4 | 86 | 169.6 | -176.6 | -18.8 | 0 | 0 | 0 | 109.1 | A33 Q80 A81 I82 | A33-N78 HydrophobicContact CB-CB 4.06Å; A33-N78 PolarHBondContact O-N 3.2Å; N78-Q80 VanDerWaalsContact C-N 3.27Å; N78-Q80 PolarHBondContact O-N 3.01Å; N78-Q80 PolarHBondContact OD1-N 3.42Å; N78-A81 HydrophobicContact CB-CB 4.2Å; N78-A81 PolarHBondContact O-N 2.89Å; N78-A81 PolarHBondContact OD1-N 3.43Å; N78-I82 PolarHBondContact O-N 3.09Å | ||
| 79 | E | 95.8 | Very high | 75.7 | Confident | 63 Ų | 63 | 67 Ų | 67 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.6 | -37.8 | -177.6 | -64 | 77.2 | -169.2 | 0 | 0 | 111.6 | A81 I82 I83 L117 F121 D352 | E79-A81 PolarHBondContact O-N 2.54Å; E79-I82 WeakPolarHBondContact O-CB 3.35Å; E79-I82 PolarHBondContact O-N 2.86Å; E79-I82 VanDerWaalsContact O-N 3.13Å; E79-I83 WeakPolarHBondContact O-CG1 3.29Å; E79-I83 PolarHBondContact O-N 3.38Å; E79-L117 HydrophobicContact CG-CD2 4.5Å; E79-F121 HydrophobicContact CB-CE1 3.66Å; E79-F121 HydrophobicContact CB-CZ 3.91Å; E79-F121 HydrophobicContact CG-CD1 4.11Å; E79-F121 HydrophobicContact CG-CE1 3.56Å; E79-F121 HydrophobicContact CG-CZ 4.33Å; E79-D352 HydrophobicContact CB-CB 4.1Å |
| 80 | Q | 96.9 | Very high | 78.6 | Confident | 82 Ų | 82 | 59 Ų | 59 | 38% | 0.383 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 179 | -175.7 | 56.4 | 53.4 | 0 | 0 | 112 | N78 I82 I83 D84 | N78-Q80 VanDerWaalsContact C-N 3.27Å; N78-Q80 PolarHBondContact O-N 3.01Å; N78-Q80 PolarHBondContact OD1-N 3.42Å; Q80-I82 VanDerWaalsContact C-N 3.32Å; Q80-I82 PolarHBondContact O-N 2.9Å; Q80-I83 PolarHBondContact O-N 2.69Å; Q80-D84 VanDerWaalsContact NE2-CG 3.28Å; Q80-D84 PolarHBondContact NE2-OD1 3.07Å; Q80-D84 PolarHBondContact NE2-OD2 3.24Å; Q80-D84 WeakPolarHBondContact O-CB 3.49Å; Q80-D84 PolarHBondContact O-N 2.8Å |
| 81 | A | 96.8 | Very high | 81.6 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66 | -34.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A33 N78 E79 V85 | A33-A81 HydrophobicContact CB-CB 3.91Å; N78-A81 HydrophobicContact CB-CB 4.2Å; N78-A81 PolarHBondContact O-N 2.89Å; N78-A81 PolarHBondContact OD1-N 3.43Å; E79-A81 PolarHBondContact O-N 2.54Å; A81-V85 WeakPolarHBondContact O-CG2 3.48Å; A81-V85 PolarHBondContact O-N 3.2Å |
| 82 | I | 98.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 174 | -64.5 | 171.5 | 0 | 0 | 0 | 110.6 | L30 A33 M34 T77 N78 E79 Q80 L86 L113 L117 F121 I125 | L30-I82 HydrophobicContact CD2-CB 4.31Å; L30-I82 HydrophobicContact CD2-CG1 4.06Å; L30-I82 HydrophobicContact CD2-CG2 4.38Å; A33-I82 HydrophobicContact CB-CG1 4.06Å; M34-I82 HydrophobicContact CG-CD1 3.98Å; T77-I82 HydrophobicContact CG2-CD1 3.52Å; N78-I82 PolarHBondContact O-N 3.09Å; E79-I82 WeakPolarHBondContact O-CB 3.35Å; E79-I82 PolarHBondContact O-N 2.86Å; E79-I82 VanDerWaalsContact O-N 3.13Å; Q80-I82 VanDerWaalsContact C-N 3.32Å; Q80-I82 PolarHBondContact O-N 2.9Å; I82-L86 HydrophobicContact CG2-CD1 3.75Å; I82-L86 HydrophobicContact CG2-CG 4.45Å; I82-L86 WeakPolarHBondContact O-CB 3.38Å; I82-L86 PolarHBondContact O-N 2.66Å; I82-L113 HydrophobicContact CD1-CD2 4.27Å; I82-L113 HydrophobicContact CG2-CD2 4.04Å; I82-L117 HydrophobicContact CD1-CD2 3.97Å; I82-F121 HydrophobicContact CG2-CZ 4.41Å; I82-I125 HydrophobicContact CG2-CD1 4.24Å; I82-I125 HydrophobicContact CG2-CG1 4.39Å; I82-I125 HydrophobicContact CG2-CG2 4.09Å |
| 83 | I | 98.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -57.4 | 173.5 | -67.7 | 168.2 | 0 | 0 | 0 | 109.9 | E79 Q80 V85 L86 T87 F121 D352 N355 A356 | E79-I83 WeakPolarHBondContact O-CG1 3.29Å; E79-I83 PolarHBondContact O-N 3.38Å; Q80-I83 PolarHBondContact O-N 2.69Å; I83-V85 CarbonylContact O-C 3.57Å; I83-V85 PolarHBondContact O-N 2.65Å; I83-L86 PolarHBondContact O-N 2.96Å; I83-L86 VanDerWaalsContact O-N 3.17Å; I83-T87 HydrophobicContact CG2-CG2 4.05Å; I83-T87 PolarHBondContact O-N 3.43Å; I83-T87 PolarHBondContact O-OG1 3.41Å; I83-F121 HydrophobicContact CD1-CE2 3.87Å; I83-F121 HydrophobicContact CD1-CZ 4.21Å; I83-F121 HydrophobicContact CG1-CE2 3.62Å; I83-F121 HydrophobicContact CG1-CZ 3.85Å; I83-D352 HydrophobicContact CD1-CB 4.16Å; I83-N355 HydrophobicContact CD1-CB 3.95Å; I83-A356 HydrophobicContact CD1-CB 4.16Å; I83-A356 HydrophobicContact CG1-CB 3.99Å |
| 84 | D | 96.9 | Very high | 90.7 | Very high | 62 Ų | 62 | 41.5 Ų | 41.5 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.5 | -22.9 | -173.6 | -78.6 | -43 | 0 | 0 | 0 | 114.4 | Q80 K88 | Q80-D84 VanDerWaalsContact NE2-CG 3.28Å; Q80-D84 PolarHBondContact NE2-OD1 3.07Å; Q80-D84 PolarHBondContact NE2-OD2 3.24Å; Q80-D84 WeakPolarHBondContact O-CB 3.49Å; Q80-D84 PolarHBondContact O-N 2.8Å; D84-K88 WeakPolarHBondContact O-CD 3.46Å; D84-K88 IonicContact OD1-NZ 2.87Å; D84-K88 PolarHBondContact OD1-NZ 2.99Å |
| 85 | V | 97.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -86.1 | -62.3 | 167.7 | 178.3 | 0 | 0 | 0 | 0 | 111 | D26 T29 L30 A81 I83 T87 K88 R89 I97 | D26-V85 HydrophobicContact CB-CG1 3.86Å; T29-V85 HydrophobicContact CG2-CG2 3.86Å; L30-V85 HydrophobicContact CD1-CG1 4.05Å; L30-V85 HydrophobicContact CD2-CB 4.06Å; L30-V85 HydrophobicContact CD2-CG1 4.26Å; L30-V85 HydrophobicContact CD2-CG2 4.45Å; L30-V85 HydrophobicContact CG-CB 4.36Å; L30-V85 HydrophobicContact CG-CG1 4.1Å; A81-V85 WeakPolarHBondContact O-CG2 3.48Å; A81-V85 PolarHBondContact O-N 3.2Å; I83-V85 CarbonylContact O-C 3.57Å; I83-V85 PolarHBondContact O-N 2.65Å; V85-T87 PolarHBondContact O-N 2.99Å; V85-K88 PolarHBondContact O-N 3.38Å; V85-R89 WeakPolarHBondContact O-CG 3.39Å; V85-I97 HydrophobicContact CG1-CD1 4.12Å |
| 86 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -75.8 | -27.5 | -162.2 | -63.8 | 179.4 | 0 | 0 | 0 | 114.7 | L30 I82 I83 R94 L113 I125 M129 | L30-L86 HydrophobicContact CD1-CD2 3.86Å; L30-L86 HydrophobicContact CD1-CG 4.32Å; L30-L86 HydrophobicContact CD2-CD1 4.34Å; L30-L86 HydrophobicContact CD2-CG 4.15Å; I82-L86 HydrophobicContact CG2-CD1 3.75Å; I82-L86 HydrophobicContact CG2-CG 4.45Å; I82-L86 WeakPolarHBondContact O-CB 3.38Å; I82-L86 PolarHBondContact O-N 2.66Å; I83-L86 PolarHBondContact O-N 2.96Å; I83-L86 VanDerWaalsContact O-N 3.17Å; L86-R94 HydrophobicContact CD2-CG 4.12Å; L86-R94 PolarHBondContact O-NE 3.41Å; L86-L113 HydrophobicContact CD1-CD1 3.89Å; L86-L113 HydrophobicContact CD1-CD2 4.36Å; L86-I125 HydrophobicContact CD1-CG2 3.61Å; L86-M129 HydrophobicContact CD1-SD 4.12Å; L86-M129 HydrophobicContact CD2-SD 3.83Å |
| 87 | T | 97.4 | Very high | 96.6 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.6 | 175.5 | 65.6 | 0 | 0 | 0 | 0 | 113 | I83 V85 L128 A356 S359 L360 | I83-T87 HydrophobicContact CG2-CG2 4.05Å; I83-T87 PolarHBondContact O-N 3.43Å; I83-T87 PolarHBondContact O-OG1 3.41Å; V85-T87 PolarHBondContact O-N 2.99Å; T87-L128 HydrophobicContact CG2-CD1 4.17Å; T87-A356 HydrophobicContact CG2-CB 4.27Å; T87-S359 WeakPolarHBondContact OG1-CB 3.39Å; T87-S359 PolarHBondContact OG1-OG 3.45Å; T87-L360 HydrophobicContact CG2-CD2 4.07Å; T87-L360 HydrophobicContact CG2-CG 3.89Å |
| 88 | K | 96.2 | Very high | 97.1 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 40% | 0.4 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 25.6 | -176.4 | -60.5 | 178.4 | -177.2 | 166.1 | 0 | 112.6 | D84 V85 | D84-K88 WeakPolarHBondContact O-CD 3.46Å; D84-K88 IonicContact OD1-NZ 2.87Å; D84-K88 PolarHBondContact OD1-NZ 2.99Å; V85-K88 PolarHBondContact O-N 3.38Å |
| 89 | R | 95.6 | Very high | 97.2 | Very high | 56 Ų | 56 | 40.9 Ų | 40.9 | 21% | 0.211 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -137.2 | 144.9 | 178.3 | -66.4 | -64.5 | -179.2 | -71.5 | -13.8 | 110.6 | D26 V85 Q93 R94 I97 | D26-R89 VanDerWaalsContact CG-NH2 3.27Å; D26-R89 IonicContact OD1-CZ 2.75Å; D26-R89 IonicContact OD1-NE 2.68Å; D26-R89 IonicContact OD1-NH2 3.99Å; D26-R89 PolarHBondContact OD1-NH2 2.87Å; D26-R89 IonicContact OD2-CZ 3.7Å; D26-R89 VanDerWaalsContact OD2-CZ 3.29Å; D26-R89 IonicContact OD2-NE 2.72Å; D26-R89 PolarHBondContact OD2-NE 3.43Å; D26-R89 IonicContact OD2-NH2 2.76Å; D26-R89 PolarHBondContact OD2-NH2 2.66Å; V85-R89 WeakPolarHBondContact O-CG 3.39Å; R89-Q93 HydrophobicContact CB-CB 3.93Å; R89-R94 HydrophobicContact CB-CG 4.22Å; R89-R94 PolarHBondContact O-NE 3.15Å; R89-R94 PolarHBondContact O-NH2 3.13Å; R89-I97 HydrophobicContact CB-CD1 4.44Å; R89-I97 HydrophobicContact CG-CD1 3.99Å |
| 90 | S | 96.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | trans | -62.9 | 160.8 | 173.6 | 70.5 | 0 | 0 | 0 | 0 | 110.6 | T92 Q93 R94 E323 | S90-T92 PolarHBondContact O-N 3.25Å; S90-Q93 WeakPolarHBondContact O-CB 3.36Å; S90-Q93 PolarHBondContact O-N 2.97Å; S90-Q93 VanDerWaalsContact O-N 3.1Å; S90-Q93 WeakPolarHBondContact OG-CB 3.42Å; S90-Q93 WeakPolarHBondContact OG-CG 3.32Å; S90-Q93 PolarHBondContact OG-N 2.73Å; S90-R94 WeakPolarHBondContact O-CG 3.37Å; S90-R94 PolarHBondContact O-N 3.29Å; S90-R94 PolarHBondContact O-NE 3.44Å; S90-E323 WeakPolarHBondContact CB-OE2 3.3Å | ||
| 91 | N | 96.8 | Very high | 97.4 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.9 | -43.5 | 173.2 | -168 | -80.6 | 0 | 0 | 0 | 110.9 | Q93 R94 Q95 L128 Y130 E323 | N91-Q93 VanDerWaalsContact C-N 3.32Å; N91-Q93 PolarHBondContact O-N 2.8Å; N91-R94 PolarHBondContact ND2-NH1 3.21Å; N91-R94 WeakPolarHBondContact O-CA 3.39Å; N91-R94 WeakPolarHBondContact O-CB 3.27Å; N91-R94 PolarHBondContact O-N 3.2Å; N91-R94 VanDerWaalsContact O-N 3.08Å; N91-Q95 WeakPolarHBondContact O-CG 3.37Å; N91-Q95 PolarHBondContact O-N 3.24Å; N91-Q95 PolarHBondContact OD1-NE2 2.99Å; N91-Q95 VanDerWaalsContact OD1-NE2 3.17Å; N91-L128 PolarHBondContact ND2-O 3.01Å; N91-Y130 PolarHBondContact ND2-O 2.71Å; N91-E323 PolarHBondContact N-OE1 3.49Å; N91-E323 PolarHBondContact N-OE2 2.87Å |
| 92 | T | 95.4 | Very high | 97.4 | Very high | 93 Ų | 93 | 38.8 Ų | 38.8 | 57% | 0.571 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -57.4 | -41.9 | 174.9 | -50.4 | 0 | 0 | 0 | 0 | 112.7 | S90 Q95 Q96 | S90-T92 PolarHBondContact O-N 3.25Å; T92-Q95 PolarHBondContact O-N 3.48Å; T92-Q96 WeakPolarHBondContact O-CG 3.3Å; T92-Q96 PolarHBondContact O-N 3.35Å; T92-Q96 VanDerWaalsContact O-N 3.1Å |
| 93 | Q | 97.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -40.8 | 175 | -74.9 | 169.6 | -25.5 | 0 | 0 | 111.3 | K16 F21 R89 S90 N91 Q95 Q96 I97 | K16-Q93 PolarHBondContact O-NE2 2.92Å; F21-Q93 HydrophobicContact CD1-CB 4.28Å; F21-Q93 HydrophobicContact CD1-CG 3.8Å; F21-Q93 HydrophobicContact CD2-CG 4.12Å; F21-Q93 HydrophobicContact CE1-CB 3.84Å; F21-Q93 HydrophobicContact CE1-CG 3.86Å; F21-Q93 HydrophobicContact CE2-CB 4.49Å; F21-Q93 HydrophobicContact CE2-CG 4.21Å; F21-Q93 HydrophobicContact CG-CG 3.92Å; F21-Q93 HydrophobicContact CZ-CB 3.98Å; F21-Q93 HydrophobicContact CZ-CG 4.09Å; R89-Q93 HydrophobicContact CB-CB 3.93Å; S90-Q93 WeakPolarHBondContact O-CB 3.36Å; S90-Q93 PolarHBondContact O-N 2.97Å; S90-Q93 VanDerWaalsContact O-N 3.1Å; S90-Q93 WeakPolarHBondContact OG-CB 3.42Å; S90-Q93 WeakPolarHBondContact OG-CG 3.32Å; S90-Q93 PolarHBondContact OG-N 2.73Å; N91-Q93 VanDerWaalsContact C-N 3.32Å; N91-Q93 PolarHBondContact O-N 2.8Å; Q93-Q95 VanDerWaalsContact C-N 3.31Å; Q93-Q95 PolarHBondContact O-N 3.45Å; Q93-Q96 WeakPolarHBondContact O-CB 3.19Å; Q93-Q96 PolarHBondContact O-N 3.43Å; Q93-Q96 VanDerWaalsContact O-N 3.11Å; Q93-I97 VanDerWaalsContact O-CG1 3.24Å; Q93-I97 WeakPolarHBondContact O-CG1 3.43Å; Q93-I97 PolarHBondContact O-N 2.96Å |
| 94 | R | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.8 | -39.2 | 172.9 | -70.9 | 174 | -111 | 141.3 | -2 | 112 | L86 R89 S90 N91 I97 A98 L128 M129 E323 | L86-R94 HydrophobicContact CD2-CG 4.12Å; L86-R94 PolarHBondContact O-NE 3.41Å; R89-R94 HydrophobicContact CB-CG 4.22Å; R89-R94 PolarHBondContact O-NE 3.15Å; R89-R94 PolarHBondContact O-NH2 3.13Å; S90-R94 WeakPolarHBondContact O-CG 3.37Å; S90-R94 PolarHBondContact O-N 3.29Å; S90-R94 PolarHBondContact O-NE 3.44Å; N91-R94 PolarHBondContact ND2-NH1 3.21Å; N91-R94 WeakPolarHBondContact O-CA 3.39Å; N91-R94 WeakPolarHBondContact O-CB 3.27Å; N91-R94 PolarHBondContact O-N 3.2Å; N91-R94 VanDerWaalsContact O-N 3.08Å; R94-I97 PolarHBondContact O-N 2.94Å; R94-A98 WeakPolarHBondContact O-CB 3.29Å; R94-A98 PolarHBondContact O-N 3.1Å; R94-L128 WeakPolarHBondContact CD-O 3.36Å; R94-L128 PolarHBondContact NH1-O 3.41Å; R94-M129 HydrophobicContact CB-CE 4.24Å; R94-M129 HydrophobicContact CB-SD 4.32Å; R94-E323 IonicContact CZ-OE1 3.14Å; R94-E323 IonicContact NH2-OE1 3.53Å; R94-E323 PolarHBondContact NH2-OE1 3.29Å |
| 95 | Q | 98.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 46.5 Ų | 46.5 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 173 | -56.3 | -44.5 | -44.6 | 0 | 0 | 112.5 | N91 T92 Q93 A98 K99 M129 | N91-Q95 WeakPolarHBondContact O-CG 3.37Å; N91-Q95 PolarHBondContact O-N 3.24Å; N91-Q95 PolarHBondContact OD1-NE2 2.99Å; N91-Q95 VanDerWaalsContact OD1-NE2 3.17Å; T92-Q95 PolarHBondContact O-N 3.48Å; Q93-Q95 VanDerWaalsContact C-N 3.31Å; Q93-Q95 PolarHBondContact O-N 3.45Å; Q95-A98 PolarHBondContact O-N 3.24Å; Q95-K99 PolarHBondContact O-N 3.44Å; Q95-M129 PolarHBondContact NE2-O 2.88Å |
| 96 | Q | 97.9 | Very high | 97.2 | Very high | 84 Ų | 84 | 49.4 Ų | 49.4 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 175.7 | -69.4 | 171.5 | -41.6 | 0 | 0 | 111.8 | F21 P23 T92 Q93 K99 S100 | F21-Q96 HydrophobicContact CD1-CB 4.45Å; F21-Q96 VanDerWaalsContact CD1-OE1 3.25Å; F21-Q96 HydrophobicContact CE1-CB 4.25Å; P23-Q96 HydrophobicContact CB-CB 4.05Å; P23-Q96 WeakPolarHBondContact CB-O 3.36Å; P23-Q96 HydrophobicContact CG-CB 4.31Å; T92-Q96 WeakPolarHBondContact O-CG 3.3Å; T92-Q96 PolarHBondContact O-N 3.35Å; T92-Q96 VanDerWaalsContact O-N 3.1Å; Q93-Q96 WeakPolarHBondContact O-CB 3.19Å; Q93-Q96 PolarHBondContact O-N 3.43Å; Q93-Q96 VanDerWaalsContact O-N 3.11Å; Q96-K99 PolarHBondContact O-N 3.44Å; Q96-S100 PolarHBondContact O-N 3.39Å |
| 97 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 174.1 | -65.6 | 162.9 | 0 | 0 | 0 | 110.5 | F21 P23 D26 A27 L30 V85 R89 Q93 R94 K99 S100 F101 L109 | F21-I97 HydrophobicContact CE1-CG1 4.13Å; F21-I97 HydrophobicContact CZ-CD1 4.01Å; F21-I97 HydrophobicContact CZ-CG1 3.97Å; P23-I97 HydrophobicContact CB-CG1 4.1Å; D26-I97 HydrophobicContact CB-CD1 3.74Å; D26-I97 HydrophobicContact CB-CG1 3.82Å; D26-I97 HydrophobicContact CB-CG2 4.37Å; A27-I97 HydrophobicContact CB-CG2 4.25Å; L30-I97 HydrophobicContact CD1-CG2 3.68Å; V85-I97 HydrophobicContact CG1-CD1 4.12Å; R89-I97 HydrophobicContact CB-CD1 4.44Å; R89-I97 HydrophobicContact CG-CD1 3.99Å; Q93-I97 VanDerWaalsContact O-CG1 3.24Å; Q93-I97 WeakPolarHBondContact O-CG1 3.43Å; Q93-I97 PolarHBondContact O-N 2.96Å; R94-I97 PolarHBondContact O-N 2.94Å; I97-K99 VanDerWaalsContact C-N 3.32Å; I97-K99 PolarHBondContact O-N 3.01Å; I97-S100 PolarHBondContact O-N 2.74Å; I97-F101 WeakPolarHBondContact O-CB 3.26Å; I97-F101 PolarHBondContact O-N 2.95Å; I97-L109 HydrophobicContact CG2-CD2 4Å |
| 98 | A | 97.8 | Very high | 97 | Very high | 17 Ų | 17 | 57 Ų | 57 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R94 Q95 K102 L109 M129 | R94-A98 WeakPolarHBondContact O-CB 3.29Å; R94-A98 PolarHBondContact O-N 3.1Å; Q95-A98 PolarHBondContact O-N 3.24Å; A98-K102 WeakPolarHBondContact O-CB 3.5Å; A98-K102 PolarHBondContact O-N 2.65Å; A98-K102 VanDerWaalsContact O-N 3.08Å; A98-L109 HydrophobicContact CB-CB 4.15Å; A98-L109 HydrophobicContact CB-CD2 4.04Å; A98-M129 HydrophobicContact CB-CE 3.95Å |
| 99 | K | 98 | Very high | 97.1 | Very high | 169 Ų | 169 | 52.6 Ų | 52.6 | 74% | 0.735 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.9 | -44.2 | 175.3 | -172.4 | 179.6 | 179.5 | -179.8 | 0 | 112.2 | Q95 Q96 I97 K102 A103 | Q95-K99 PolarHBondContact O-N 3.44Å; Q96-K99 PolarHBondContact O-N 3.44Å; I97-K99 VanDerWaalsContact C-N 3.32Å; I97-K99 PolarHBondContact O-N 3.01Å; K99-K102 PolarHBondContact O-N 3.41Å; K99-A103 PolarHBondContact O-N 3.2Å; K99-A103 VanDerWaalsContact O-N 3.11Å |
| 100 | S | 98.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | D24 Q96 I97 K102 A103 Q104 | D24-S100 WeakPolarHBondContact OD1-CB 3.29Å; D24-S100 PolarHBondContact OD1-OG 3.22Å; Q96-S100 PolarHBondContact O-N 3.39Å; I97-S100 PolarHBondContact O-N 2.74Å; S100-K102 VanDerWaalsContact C-N 3.3Å; S100-K102 PolarHBondContact O-N 2.99Å; S100-A103 PolarHBondContact O-N 2.99Å; S100-A103 VanDerWaalsContact O-N 3.08Å; S100-Q104 WeakPolarHBondContact O-CG 3.36Å; S100-Q104 PolarHBondContact O-N 3.25Å; S100-Q104 PolarHBondContact OG-NE2 2.82Å |
| 101 | F | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.9 | -45 | 176.5 | -174.6 | -85.2 | 0 | 0 | 0 | 111.9 | A27 L30 Y31 M34 I97 Q104 F105 K107 L109 T112 | A27-F101 HydrophobicContact CB-CB 3.99Å; A27-F101 HydrophobicContact CB-CD2 4.5Å; L30-F101 HydrophobicContact CB-CD2 4.49Å; L30-F101 HydrophobicContact CB-CE2 4.4Å; Y31-F101 HydrophobicContact CD2-CE2 4.3Å; Y31-F101 HydrophobicContact CD2-CZ 4.34Å; M34-F101 HydrophobicContact CE-CE2 3.65Å; M34-F101 HydrophobicContact CE-CZ 3.63Å; I97-F101 WeakPolarHBondContact O-CB 3.26Å; I97-F101 PolarHBondContact O-N 2.95Å; F101-Q104 PolarHBondContact O-N 2.88Å; F101-F105 HydrophobicContact CB-CD2 4.42Å; F101-F105 HydrophobicContact CD1-CD2 4.36Å; F101-F105 AromaticContact CD2-CD2 3.63Å; F101-F105 HydrophobicContact CD2-CD2 3.63Å; F101-F105 AromaticContact CD2-CE2 3.96Å; F101-F105 HydrophobicContact CD2-CE2 3.96Å; F101-F105 AromaticContact CE2-CD2 3.92Å; F101-F105 HydrophobicContact CE2-CD2 3.92Å; F101-F105 HydrophobicContact CE2-CE2 4.4Å; F101-F105 AromaticContact CG-CD2 3.88Å; F101-F105 HydrophobicContact CG-CD2 3.88Å; F101-F105 HydrophobicContact CG-CE2 4.47Å; F101-F105 HydrophobicContact CZ-CD2 4.39Å; F101-F105 WeakPolarHBondContact O-CB 3.37Å; F101-F105 VanDerWaalsContact O-CD2 3.3Å; F101-F105 WeakPolarHBondContact O-CD2 3.38Å; F101-F105 PolarHBondContact O-N 3.47Å; F101-K107 WeakPolarHBondContact CD1-O 3.35Å; F101-K107 HydrophobicContact CE1-CB 4.11Å; F101-L109 HydrophobicContact CB-CB 4.25Å; F101-L109 HydrophobicContact CB-CD2 4.43Å; F101-L109 HydrophobicContact CD1-CB 3.74Å; F101-L109 HydrophobicContact CD1-CD1 4.13Å; F101-L109 HydrophobicContact CD1-CG 4.48Å; F101-L109 HydrophobicContact CD2-CD1 3.9Å; F101-L109 HydrophobicContact CE1-CB 4.25Å; F101-L109 HydrophobicContact CE1-CD1 4.14Å; F101-L109 HydrophobicContact CE2-CD1 3.9Å; F101-L109 HydrophobicContact CG-CB 4.02Å; F101-L109 HydrophobicContact CG-CD1 4.01Å; F101-L109 HydrophobicContact CG-CG 4.41Å; F101-L109 HydrophobicContact CZ-CD1 4.04Å; F101-T112 HydrophobicContact CZ-CG2 4.37Å |
| 102 | K | 97.1 | Very high | 97.1 | Very high | 110 Ų | 110 | 55.2 Ų | 55.2 | 48% | 0.478 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66 | -37.5 | 177.1 | -167.1 | 168.3 | -167.1 | 157.5 | 0 | 113 | A98 K99 S100 G106 K107 D108 | A98-K102 WeakPolarHBondContact O-CB 3.5Å; A98-K102 PolarHBondContact O-N 2.65Å; A98-K102 VanDerWaalsContact O-N 3.08Å; K99-K102 PolarHBondContact O-N 3.41Å; S100-K102 VanDerWaalsContact C-N 3.3Å; S100-K102 PolarHBondContact O-N 2.99Å; K102-G106 WeakPolarHBondContact O-CA 3.34Å; K102-G106 PolarHBondContact O-N 2.97Å; K102-K107 VanDerWaalsContact CA-O 3.26Å; K102-K107 WeakPolarHBondContact CA-O 3.41Å; K102-D108 IonicContact NZ-OD2 2.85Å; K102-D108 PolarHBondContact NZ-OD2 3.13Å |
| 103 | A | 97.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 72% | 0.719 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70.3 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | K99 S100 | K99-A103 PolarHBondContact O-N 3.2Å; K99-A103 VanDerWaalsContact O-N 3.11Å; S100-A103 PolarHBondContact O-N 2.99Å; S100-A103 VanDerWaalsContact O-N 3.08Å |
| 104 | Q | 97.1 | Very high | 97 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -80 | -38.5 | -178.6 | -68.9 | -172.2 | 66.4 | 0 | 0 | 113.5 | D24 S100 F101 | D24-Q104 PolarHBondContact O-NE2 2.85Å; S100-Q104 WeakPolarHBondContact O-CG 3.36Å; S100-Q104 PolarHBondContact O-N 3.25Å; S100-Q104 PolarHBondContact OG-NE2 2.82Å; F101-Q104 PolarHBondContact O-N 2.88Å |
| 105 | F | 95.8 | Very high | 96.8 | Very high | 51 Ų | 51 | 57.6 Ų | 57.6 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -118.3 | -1.6 | -168.1 | -48.5 | -59.8 | 0 | 0 | 0 | 114.4 | A27 E28 Y31 F101 K107 | A27-F105 HydrophobicContact CB-CE2 4.43Å; E28-F105 HydrophobicContact CB-CZ 4.39Å; E28-F105 HydrophobicContact CG-CZ 4.31Å; Y31-F105 AromaticContact CD1-CD1 3.86Å; Y31-F105 HydrophobicContact CD1-CD1 3.86Å; Y31-F105 AromaticContact CD1-CE1 3.63Å; Y31-F105 HydrophobicContact CD1-CE1 3.63Å; Y31-F105 HydrophobicContact CD1-CG 4.43Å; Y31-F105 HydrophobicContact CD1-CZ 4.02Å; Y31-F105 HydrophobicContact CD2-CB 3.88Å; Y31-F105 AromaticContact CD2-CD1 3.65Å; Y31-F105 HydrophobicContact CD2-CD1 3.65Å; Y31-F105 AromaticContact CD2-CD2 3.8Å; Y31-F105 HydrophobicContact CD2-CD2 3.8Å; Y31-F105 HydrophobicContact CD2-CE1 4.17Å; Y31-F105 HydrophobicContact CD2-CE2 4.32Å; Y31-F105 AromaticContact CD2-CG 3.46Å; Y31-F105 HydrophobicContact CD2-CG 3.46Å; Y31-F105 VanDerWaalsContact CD2-CG 3.46Å; Y31-F105 HydrophobicContact CD2-CZ 4.49Å; Y31-F105 AromaticContact CE1-CD1 3.96Å; Y31-F105 HydrophobicContact CE1-CD1 3.96Å; Y31-F105 HydrophobicContact CE1-CE1 4Å; Y31-F105 HydrophobicContact CE2-CB 3.93Å; Y31-F105 AromaticContact CE2-CD1 3.76Å; Y31-F105 HydrophobicContact CE2-CD1 3.76Å; Y31-F105 AromaticContact CE2-CG 3.82Å; Y31-F105 HydrophobicContact CE2-CG 3.82Å; Y31-F105 AromaticContact CG-CD1 3.7Å; Y31-F105 HydrophobicContact CG-CD1 3.7Å; Y31-F105 AromaticContact CG-CD2 3.88Å; Y31-F105 HydrophobicContact CG-CD2 3.88Å; Y31-F105 AromaticContact CG-CE1 3.72Å; Y31-F105 HydrophobicContact CG-CE1 3.72Å; Y31-F105 AromaticContact CG-CE2 3.91Å; Y31-F105 HydrophobicContact CG-CE2 3.91Å; Y31-F105 AromaticContact CG-CG 3.8Å; Y31-F105 HydrophobicContact CG-CG 3.8Å; Y31-F105 AromaticContact CG-CZ 3.84Å; Y31-F105 HydrophobicContact CG-CZ 3.84Å; Y31-F105 AromaticContact CZ-CD1 3.9Å; F101-F105 HydrophobicContact CB-CD2 4.42Å; F101-F105 HydrophobicContact CD1-CD2 4.36Å; F101-F105 AromaticContact CD2-CD2 3.63Å; F101-F105 HydrophobicContact CD2-CD2 3.63Å; F101-F105 AromaticContact CD2-CE2 3.96Å; F101-F105 HydrophobicContact CD2-CE2 3.96Å; F101-F105 AromaticContact CE2-CD2 3.92Å; F101-F105 HydrophobicContact CE2-CD2 3.92Å; F101-F105 HydrophobicContact CE2-CE2 4.4Å; F101-F105 AromaticContact CG-CD2 3.88Å; F101-F105 HydrophobicContact CG-CD2 3.88Å; F101-F105 HydrophobicContact CG-CE2 4.47Å; F101-F105 HydrophobicContact CZ-CD2 4.39Å; F101-F105 WeakPolarHBondContact O-CB 3.37Å; F101-F105 VanDerWaalsContact O-CD2 3.3Å; F101-F105 WeakPolarHBondContact O-CD2 3.38Å; F101-F105 PolarHBondContact O-N 3.47Å; F105-K107 PolarHBondContact O-N 2.97Å; F105-K107 VanDerWaalsContact O-N 3.12Å |
| 106 | G | 95.5 | Very high | 96.6 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 69% | 0.691 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 68.8 | 5.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K102 | K102-G106 WeakPolarHBondContact O-CA 3.34Å; K102-G106 PolarHBondContact O-N 2.97Å |
| 107 | K | 94.4 | Very high | 96.5 | Very high | 114 Ų | 114 | 54.9 Ų | 54.9 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -112.7 | 150.4 | -180 | -69 | -171.5 | 175 | -169.2 | 0 | 111.3 | F101 K102 F105 | F101-K107 WeakPolarHBondContact CD1-O 3.35Å; F101-K107 HydrophobicContact CE1-CB 4.11Å; K102-K107 VanDerWaalsContact CA-O 3.26Å; K102-K107 WeakPolarHBondContact CA-O 3.41Å; F105-K107 PolarHBondContact O-N 2.97Å; F105-K107 VanDerWaalsContact O-N 3.12Å |
| 108 | D | 97.3 | Very high | 96.3 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | trans | -75 | 131.8 | 169.2 | -160.9 | -82.6 | 0 | 0 | 0 | 110.8 | K102 T110 E111 T112 | K102-D108 IonicContact NZ-OD2 2.85Å; K102-D108 PolarHBondContact NZ-OD2 3.13Å; D108-T110 PolarHBondContact OD1-N 3.44Å; D108-E111 HydrophobicContact CB-CB 4.22Å; D108-E111 HydrophobicContact CB-CG 4.16Å; D108-T112 WeakPolarHBondContact O-CB 3.36Å; D108-T112 PolarHBondContact O-N 3.01Å; D108-T112 PolarHBondContact O-OG1 3.17Å | ||
| 109 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.5 | -40.1 | -177.3 | 177.8 | 56.7 | 0 | 0 | 0 | 111.7 | L30 M34 I97 A98 F101 T112 L113 M129 | L30-L109 HydrophobicContact CD1-CD1 4.18Å; L30-L109 HydrophobicContact CD1-CD2 3.94Å; M34-L109 HydrophobicContact CE-CD1 3.8Å; I97-L109 HydrophobicContact CG2-CD2 4Å; A98-L109 HydrophobicContact CB-CB 4.15Å; A98-L109 HydrophobicContact CB-CD2 4.04Å; F101-L109 HydrophobicContact CB-CB 4.25Å; F101-L109 HydrophobicContact CB-CD2 4.43Å; F101-L109 HydrophobicContact CD1-CB 3.74Å; F101-L109 HydrophobicContact CD1-CD1 4.13Å; F101-L109 HydrophobicContact CD1-CG 4.48Å; F101-L109 HydrophobicContact CD2-CD1 3.9Å; F101-L109 HydrophobicContact CE1-CB 4.25Å; F101-L109 HydrophobicContact CE1-CD1 4.14Å; F101-L109 HydrophobicContact CE2-CD1 3.9Å; F101-L109 HydrophobicContact CG-CB 4.02Å; F101-L109 HydrophobicContact CG-CD1 4.01Å; F101-L109 HydrophobicContact CG-CG 4.41Å; F101-L109 HydrophobicContact CZ-CD1 4.04Å; L109-T112 PolarHBondContact O-N 3.35Å; L109-L113 HydrophobicContact CD1-CD1 3.88Å; L109-L113 HydrophobicContact CD1-CG 4.05Å; L109-L113 HydrophobicContact CG-CD1 3.87Å; L109-L113 HydrophobicContact CG-CG 4.49Å; L109-L113 WeakPolarHBondContact O-CB 3.43Å; L109-L113 VanDerWaalsContact O-CG 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.35Å; L109-L113 PolarHBondContact O-N 3.36Å; L109-M129 HydrophobicContact CD2-CE 3.68Å; L109-M129 HydrophobicContact CG-CE 4.17Å |
| 110 | T | 96.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 14% | 0.135 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.1 | -41.8 | -176.8 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | D108 L113 K114 V126 M129 | D108-T110 PolarHBondContact OD1-N 3.44Å; T110-L113 PolarHBondContact O-N 2.66Å; T110-K114 WeakPolarHBondContact O-CG 2.97Å; T110-K114 PolarHBondContact O-N 3.34Å; T110-V126 HydrophobicContact CG2-CG1 4.27Å; T110-M129 HydrophobicContact CG2-CB 4.17Å |
| 111 | E | 96.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 57 Ų | 57 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.7 | -34.3 | 175.3 | -58.5 | -49.2 | 118.7 | 0 | 0 | 112.4 | D108 K114 S115 | D108-E111 HydrophobicContact CB-CB 4.22Å; D108-E111 HydrophobicContact CB-CG 4.16Å; E111-K114 PolarHBondContact O-N 2.94Å; E111-K114 IonicContact OE1-NZ 2.66Å; E111-K114 PolarHBondContact OE1-NZ 2.92Å; E111-K114 IonicContact OE2-NZ 3.43Å; E111-K114 PolarHBondContact OE2-NZ 3.4Å; E111-S115 PolarHBondContact O-N 3.45Å; E111-S115 VanDerWaalsContact O-N 3.14Å; E111-S115 PolarHBondContact O-OG 3.33Å |
| 112 | T | 96.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 173.2 | -50.8 | 0 | 0 | 0 | 0 | 110.9 | M34 F101 D108 L109 K114 S115 E116 | M34-T112 HydrophobicContact CE-CG2 3.96Å; M34-T112 HydrophobicContact SD-CG2 3.72Å; F101-T112 HydrophobicContact CZ-CG2 4.37Å; D108-T112 WeakPolarHBondContact O-CB 3.36Å; D108-T112 PolarHBondContact O-N 3.01Å; D108-T112 PolarHBondContact O-OG1 3.17Å; L109-T112 PolarHBondContact O-N 3.35Å; T112-K114 VanDerWaalsContact C-N 3.31Å; T112-K114 PolarHBondContact O-N 3.46Å; T112-S115 PolarHBondContact O-N 3.34Å; T112-S115 VanDerWaalsContact O-N 3.15Å; T112-S115 PolarHBondContact O-OG 2.89Å; T112-E116 HydrophobicContact CG2-CG 4.04Å; T112-E116 VanDerWaalsContact O-CG 3.25Å; T112-E116 WeakPolarHBondContact O-CG 3.34Å; T112-E116 PolarHBondContact O-N 3.38Å |
| 113 | L | 96.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.6 | -35.2 | 176.5 | -72.1 | 163.7 | 0 | 0 | 0 | 112.5 | M34 I82 L86 L109 T110 L117 I125 M129 | M34-L113 HydrophobicContact CE-CD2 4.45Å; M34-L113 HydrophobicContact SD-CD2 3.69Å; M34-L113 HydrophobicContact SD-CG 4.14Å; I82-L113 HydrophobicContact CD1-CD2 4.27Å; I82-L113 HydrophobicContact CG2-CD2 4.04Å; L86-L113 HydrophobicContact CD1-CD1 3.89Å; L86-L113 HydrophobicContact CD1-CD2 4.36Å; L109-L113 HydrophobicContact CD1-CD1 3.88Å; L109-L113 HydrophobicContact CD1-CG 4.05Å; L109-L113 HydrophobicContact CG-CD1 3.87Å; L109-L113 HydrophobicContact CG-CG 4.49Å; L109-L113 WeakPolarHBondContact O-CB 3.43Å; L109-L113 VanDerWaalsContact O-CG 3.27Å; L109-L113 WeakPolarHBondContact O-CG 3.35Å; L109-L113 PolarHBondContact O-N 3.36Å; T110-L113 PolarHBondContact O-N 2.66Å; L113-L117 HydrophobicContact CD2-CD1 4.03Å; L113-L117 VanDerWaalsContact O-CB 3.25Å; L113-L117 WeakPolarHBondContact O-CB 3.4Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.86Å; L113-L117 VanDerWaalsContact O-N 3.15Å; L113-I125 HydrophobicContact CD1-CG2 4Å; L113-I125 HydrophobicContact CD2-CG2 3.97Å; L113-I125 HydrophobicContact CG-CG2 4.4Å; L113-M129 HydrophobicContact CD1-CG 3.86Å; L113-M129 HydrophobicContact CD1-SD 4.17Å |
| 114 | K | 95.1 | Very high | 96.4 | Very high | 71 Ų | 71 | 55.8 Ų | 55.8 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.7 | -31.6 | 172.9 | -72.4 | 170 | -177.8 | 168.8 | 0 | 113.6 | T110 E111 T112 V126 | T110-K114 WeakPolarHBondContact O-CG 2.97Å; T110-K114 PolarHBondContact O-N 3.34Å; E111-K114 PolarHBondContact O-N 2.94Å; E111-K114 IonicContact OE1-NZ 2.66Å; E111-K114 PolarHBondContact OE1-NZ 2.92Å; E111-K114 IonicContact OE2-NZ 3.43Å; E111-K114 PolarHBondContact OE2-NZ 3.4Å; T112-K114 VanDerWaalsContact C-N 3.31Å; T112-K114 PolarHBondContact O-N 3.46Å; K114-V126 HydrophobicContact CG-CG1 4.44Å; K114-V126 HydrophobicContact CG-CG2 3.69Å |
| 115 | S | 94.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 60% | 0.601 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -84 | -28.9 | 179.8 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | E111 T112 | E111-S115 PolarHBondContact O-N 3.45Å; E111-S115 VanDerWaalsContact O-N 3.14Å; E111-S115 PolarHBondContact O-OG 3.33Å; T112-S115 PolarHBondContact O-N 3.34Å; T112-S115 VanDerWaalsContact O-N 3.15Å; T112-S115 PolarHBondContact O-OG 2.89Å |
| 116 | E | 94.1 | Very high | 96.6 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -97.5 | -15.9 | -174.2 | -58.5 | -65.7 | 162.9 | 0 | 0 | 113.7 | M34 T77 T112 | M34-E116 HydrophobicContact CB-CG 4.11Å; M34-E116 HydrophobicContact CG-CB 4.24Å; M34-E116 HydrophobicContact CG-CG 4.22Å; M34-E116 HydrophobicContact SD-CB 4.35Å; M34-E116 HydrophobicContact SD-CG 4.23Å; T77-E116 PolarHBondContact OG1-O 2.85Å; T112-E116 HydrophobicContact CG2-CG 4.04Å; T112-E116 VanDerWaalsContact O-CG 3.25Å; T112-E116 WeakPolarHBondContact O-CG 3.34Å; T112-E116 PolarHBondContact O-N 3.38Å |
| 117 | L | 95.3 | Very high | 96.8 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | trans | -112.4 | 164.2 | 178.1 | -55 | -177 | 0 | 0 | 0 | 110.9 | T77 E79 I82 L113 F121 E122 I125 | T77-L117 HydrophobicContact CG2-CD2 3.96Å; E79-L117 HydrophobicContact CG-CD2 4.5Å; I82-L117 HydrophobicContact CD1-CD2 3.97Å; L113-L117 HydrophobicContact CD2-CD1 4.03Å; L113-L117 VanDerWaalsContact O-CB 3.25Å; L113-L117 WeakPolarHBondContact O-CB 3.4Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.86Å; L113-L117 VanDerWaalsContact O-N 3.15Å; L117-F121 HydrophobicContact CD1-CD1 4.07Å; L117-F121 HydrophobicContact CD1-CE1 3.81Å; L117-F121 HydrophobicContact CD1-CZ 4.5Å; L117-F121 HydrophobicContact CD2-CD1 3.94Å; L117-F121 HydrophobicContact CD2-CE1 3.6Å; L117-F121 HydrophobicContact CG-CD1 4.42Å; L117-F121 HydrophobicContact CG-CE1 4.29Å; L117-E122 HydrophobicContact CB-CB 3.74Å; L117-E122 HydrophobicContact CB-CG 4.06Å; L117-I125 HydrophobicContact CD1-CB 3.91Å; L117-I125 HydrophobicContact CD1-CG1 4.09Å; L117-I125 HydrophobicContact CD1-CG2 3.82Å | ||
| 118 | S | 94.9 | Very high | 96.9 | Very high | 98 Ų | 98 | 41.3 Ų | 41.3 | 69% | 0.685 | 22% | 0.223 | S | C | * | . | trans | -141.2 | 159.2 | 171.2 | 63.5 | 0 | 0 | 0 | 0 | 114 | E122 | S118-E122 WeakPolarHBondContact CA-OE2 3.36Å; S118-E122 PolarHBondContact O-N 3.11Å | ||
| 119 | G | 97.6 | Very high | 97 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 42% | 0.423 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | 70.8 | -139.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F121 E122 R123 | G119-F121 VanDerWaalsContact C-N 3.33Å; G119-F121 PolarHBondContact O-N 3.1Å; G119-E122 PolarHBondContact N-OE2 3.25Å; G119-R123 WeakPolarHBondContact O-CG 3.41Å; G119-R123 PolarHBondContact O-N 2.88Å; G119-R123 VanDerWaalsContact O-N 3.1Å |
| 120 | K | 98.2 | Very high | 97 | Very high | 85 Ų | 85 | 41.1 Ų | 41.1 | 37% | 0.37 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.2 | -35 | -175.7 | -59.3 | -174.4 | 178.2 | -158.3 | 0 | 112.6 | L124 D311 Y353 | K120-L124 PolarHBondContact O-N 2.97Å; K120-L124 VanDerWaalsContact O-N 3.15Å; K120-D311 WeakPolarHBondContact CD-OD1 2.94Å; K120-D311 VanDerWaalsContact CE-CG 3.41Å; K120-D311 WeakPolarHBondContact CE-OD1 3.39Å; K120-D311 WeakPolarHBondContact CE-OD2 3.2Å; K120-D311 IonicContact NZ-OD1 3.5Å; K120-D311 PolarHBondContact NZ-OD1 3.42Å; K120-D311 IonicContact NZ-OD2 3.58Å; K120-D311 PolarHBondContact NZ-OD2 2.67Å; K120-Y353 HydrophobicContact CB-CD1 3.72Å; K120-Y353 HydrophobicContact CB-CD2 3.77Å; K120-Y353 HydrophobicContact CB-CE1 4.05Å; K120-Y353 HydrophobicContact CB-CE2 4.11Å; K120-Y353 HydrophobicContact CB-CG 3.57Å; K120-Y353 HydrophobicContact CD-CD1 3.7Å; K120-Y353 HydrophobicContact CD-CE1 3.69Å; K120-Y353 HydrophobicContact CD-CG 4.42Å; K120-Y353 HydrophobicContact CG-CD1 4.38Å; K120-Y353 HydrophobicContact CG-CE1 4.46Å; K120-Y353 WeakPolarHBondContact O-CD2 3.41Å |
| 121 | F | 98.2 | Very high | 97 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.8 | -49.2 | 179.2 | 179.8 | -122.6 | 0 | 0 | 0 | 111.4 | E79 I82 I83 L117 G119 R123 L124 I125 D352 A356 | E79-F121 HydrophobicContact CB-CE1 3.66Å; E79-F121 HydrophobicContact CB-CZ 3.91Å; E79-F121 HydrophobicContact CG-CD1 4.11Å; E79-F121 HydrophobicContact CG-CE1 3.56Å; E79-F121 HydrophobicContact CG-CZ 4.33Å; I82-F121 HydrophobicContact CG2-CZ 4.41Å; I83-F121 HydrophobicContact CD1-CE2 3.87Å; I83-F121 HydrophobicContact CD1-CZ 4.21Å; I83-F121 HydrophobicContact CG1-CE2 3.62Å; I83-F121 HydrophobicContact CG1-CZ 3.85Å; L117-F121 HydrophobicContact CD1-CD1 4.07Å; L117-F121 HydrophobicContact CD1-CE1 3.81Å; L117-F121 HydrophobicContact CD1-CZ 4.5Å; L117-F121 HydrophobicContact CD2-CD1 3.94Å; L117-F121 HydrophobicContact CD2-CE1 3.6Å; L117-F121 HydrophobicContact CG-CD1 4.42Å; L117-F121 HydrophobicContact CG-CE1 4.29Å; G119-F121 VanDerWaalsContact C-N 3.33Å; G119-F121 PolarHBondContact O-N 3.1Å; F121-R123 PolarHBondContact O-N 2.97Å; F121-L124 PolarHBondContact O-N 3.4Å; F121-I125 HydrophobicContact CD2-CG1 3.92Å; F121-I125 HydrophobicContact CE1-CG1 4.3Å; F121-I125 HydrophobicContact CE2-CD1 3.77Å; F121-I125 HydrophobicContact CE2-CG1 3.5Å; F121-I125 VanDerWaalsContact CE2-CG1 3.5Å; F121-I125 HydrophobicContact CG-CG1 4.47Å; F121-I125 HydrophobicContact CZ-CD1 4.12Å; F121-I125 HydrophobicContact CZ-CG1 3.72Å; F121-I125 WeakPolarHBondContact O-CG1 3.5Å; F121-I125 PolarHBondContact O-N 3Å; F121-D352 HydrophobicContact CD1-CB 4.25Å; F121-D352 HydrophobicContact CD2-CB 3.91Å; F121-D352 HydrophobicContact CE1-CB 4.38Å; F121-D352 HydrophobicContact CE2-CB 4.05Å; F121-D352 HydrophobicContact CG-CB 4.02Å; F121-D352 HydrophobicContact CZ-CB 4.29Å; F121-A356 HydrophobicContact CD2-CB 4.19Å; F121-A356 HydrophobicContact CE2-CB 3.97Å |
| 122 | E | 98.3 | Very high | 96.8 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -51 | -52.9 | 171 | -177.5 | -145.1 | 148.4 | 0 | 0 | 111.5 | L117 S118 G119 L124 I125 V126 | L117-E122 HydrophobicContact CB-CB 3.74Å; L117-E122 HydrophobicContact CB-CG 4.06Å; S118-E122 WeakPolarHBondContact CA-OE2 3.36Å; S118-E122 PolarHBondContact O-N 3.11Å; G119-E122 PolarHBondContact N-OE2 3.25Å; E122-L124 VanDerWaalsContact C-N 3.28Å; E122-L124 PolarHBondContact O-N 3.1Å; E122-I125 PolarHBondContact O-N 2.63Å; E122-V126 HydrophobicContact CG-CG2 4.19Å; E122-V126 VanDerWaalsContact O-CB 3.29Å; E122-V126 WeakPolarHBondContact O-CB 3.34Å; E122-V126 VanDerWaalsContact O-CG2 3.29Å; E122-V126 WeakPolarHBondContact O-CG2 3.45Å; E122-V126 PolarHBondContact O-N 3.43Å |
| 123 | R | 98.4 | Very high | 96.9 | Very high | 119 Ų | 119 | 44.3 Ų | 44.3 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.1 | -39.3 | -179.2 | -74.2 | 179.2 | 64.8 | -158.2 | -2.6 | 113.2 | G119 F121 A127 I315 | G119-R123 WeakPolarHBondContact O-CG 3.41Å; G119-R123 PolarHBondContact O-N 2.88Å; G119-R123 VanDerWaalsContact O-N 3.1Å; F121-R123 PolarHBondContact O-N 2.97Å; R123-A127 WeakPolarHBondContact O-CB 3.25Å; R123-A127 PolarHBondContact O-N 3.15Å; R123-I315 HydrophobicContact CB-CD1 4.03Å |
| 124 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.3 | -48 | 176.9 | 175.6 | 60.4 | 0 | 0 | 0 | 111.9 | K120 F121 E122 A127 L128 I315 V319 Y353 A356 L357 L360 | K120-L124 PolarHBondContact O-N 2.97Å; K120-L124 VanDerWaalsContact O-N 3.15Å; F121-L124 PolarHBondContact O-N 3.4Å; E122-L124 VanDerWaalsContact C-N 3.28Å; E122-L124 PolarHBondContact O-N 3.1Å; L124-A127 WeakPolarHBondContact O-CB 3.44Å; L124-A127 PolarHBondContact O-N 3.23Å; L124-L128 WeakPolarHBondContact O-CG 3.31Å; L124-L128 PolarHBondContact O-N 3.46Å; L124-I315 HydrophobicContact CB-CD1 4.31Å; L124-I315 HydrophobicContact CB-CG1 4.31Å; L124-I315 HydrophobicContact CD1-CG1 4.31Å; L124-I315 HydrophobicContact CD1-CG2 3.99Å; L124-V319 HydrophobicContact CD1-CG2 3.73Å; L124-Y353 HydrophobicContact CB-CD2 4.15Å; L124-Y353 HydrophobicContact CB-CE2 4.17Å; L124-Y353 HydrophobicContact CD2-CD2 3.89Å; L124-Y353 HydrophobicContact CD2-CE2 4.06Å; L124-A356 HydrophobicContact CD2-CB 3.53Å; L124-L357 HydrophobicContact CD1-CD2 3.97Å; L124-L357 HydrophobicContact CD2-CD2 3.64Å; L124-L357 HydrophobicContact CD2-CG 3.82Å; L124-L357 HydrophobicContact CG-CD2 4.46Å; L124-L360 HydrophobicContact CD1-CD1 3.84Å; L124-L360 HydrophobicContact CD2-CD1 4.46Å; L124-L360 HydrophobicContact CG-CD1 4.43Å |
| 125 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | -179.2 | -67 | -59.7 | 0 | 0 | 0 | 111.2 | I82 L86 L113 L117 F121 E122 L128 M129 | I82-I125 HydrophobicContact CG2-CD1 4.24Å; I82-I125 HydrophobicContact CG2-CG1 4.39Å; I82-I125 HydrophobicContact CG2-CG2 4.09Å; L86-I125 HydrophobicContact CD1-CG2 3.61Å; L113-I125 HydrophobicContact CD1-CG2 4Å; L113-I125 HydrophobicContact CD2-CG2 3.97Å; L113-I125 HydrophobicContact CG-CG2 4.4Å; L117-I125 HydrophobicContact CD1-CB 3.91Å; L117-I125 HydrophobicContact CD1-CG1 4.09Å; L117-I125 HydrophobicContact CD1-CG2 3.82Å; F121-I125 HydrophobicContact CD2-CG1 3.92Å; F121-I125 HydrophobicContact CE1-CG1 4.3Å; F121-I125 HydrophobicContact CE2-CD1 3.77Å; F121-I125 HydrophobicContact CE2-CG1 3.5Å; F121-I125 VanDerWaalsContact CE2-CG1 3.5Å; F121-I125 HydrophobicContact CG-CG1 4.47Å; F121-I125 HydrophobicContact CZ-CD1 4.12Å; F121-I125 HydrophobicContact CZ-CG1 3.72Å; F121-I125 WeakPolarHBondContact O-CG1 3.5Å; F121-I125 PolarHBondContact O-N 3Å; E122-I125 PolarHBondContact O-N 2.63Å; I125-L128 HydrophobicContact CD1-CD1 4.22Å; I125-L128 WeakPolarHBondContact O-CB 3.36Å; I125-L128 PolarHBondContact O-N 3.3Å; I125-M129 PolarHBondContact O-N 2.77Å |
| 126 | V | 98.3 | Very high | 97.3 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 174.5 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | T110 K114 E122 L128 M129 Y130 | T110-V126 HydrophobicContact CG2-CG1 4.27Å; K114-V126 HydrophobicContact CG-CG1 4.44Å; K114-V126 HydrophobicContact CG-CG2 3.69Å; E122-V126 HydrophobicContact CG-CG2 4.19Å; E122-V126 VanDerWaalsContact O-CB 3.29Å; E122-V126 WeakPolarHBondContact O-CB 3.34Å; E122-V126 VanDerWaalsContact O-CG2 3.29Å; E122-V126 WeakPolarHBondContact O-CG2 3.45Å; E122-V126 PolarHBondContact O-N 3.43Å; V126-L128 VanDerWaalsContact C-N 3.28Å; V126-L128 PolarHBondContact O-N 2.94Å; V126-M129 PolarHBondContact O-N 3.42Å; V126-Y130 HydrophobicContact CG1-CE2 3.89Å; V126-Y130 VanDerWaalsContact O-CD2 3.3Å; V126-Y130 WeakPolarHBondContact O-CD2 3.44Å |
| 127 | A | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.7 | -37.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R123 L124 M129 Y130 Y135 I315 V319 | R123-A127 WeakPolarHBondContact O-CB 3.25Å; R123-A127 PolarHBondContact O-N 3.15Å; L124-A127 WeakPolarHBondContact O-CB 3.44Å; L124-A127 PolarHBondContact O-N 3.23Å; A127-M129 PolarHBondContact O-N 3.35Å; A127-Y130 PolarHBondContact O-N 3.06Å; A127-Y135 HydrophobicContact CB-CD2 4.25Å; A127-Y135 HydrophobicContact CB-CE2 3.48Å; A127-Y135 VanDerWaalsContact CB-CE2 3.48Å; A127-I315 HydrophobicContact CB-CG2 3.87Å; A127-V319 HydrophobicContact CB-CG1 4.39Å; A127-V319 HydrophobicContact CB-CG2 4.12Å |
| 128 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.6 | -23.1 | 174.3 | -68 | 173.4 | 0 | 0 | 0 | 113.7 | T87 N91 R94 L124 I125 V126 V319 L360 | T87-L128 HydrophobicContact CG2-CD1 4.17Å; N91-L128 PolarHBondContact ND2-O 3.01Å; R94-L128 WeakPolarHBondContact CD-O 3.36Å; R94-L128 PolarHBondContact NH1-O 3.41Å; L124-L128 WeakPolarHBondContact O-CG 3.31Å; L124-L128 PolarHBondContact O-N 3.46Å; I125-L128 HydrophobicContact CD1-CD1 4.22Å; I125-L128 WeakPolarHBondContact O-CB 3.36Å; I125-L128 PolarHBondContact O-N 3.3Å; V126-L128 VanDerWaalsContact C-N 3.28Å; V126-L128 PolarHBondContact O-N 2.94Å; L128-V319 HydrophobicContact CD2-CG1 4.34Å; L128-V319 HydrophobicContact CD2-CG2 4.02Å; L128-V319 HydrophobicContact CG-CG2 4.47Å; L128-L360 HydrophobicContact CD1-CD1 4.18Å; L128-L360 HydrophobicContact CD1-CD2 4.16Å; L128-L360 HydrophobicContact CD2-CD1 3.97Å; L128-L360 HydrophobicContact CD2-CD2 3.75Å; L128-L360 HydrophobicContact CG-CD1 4.45Å |
| 129 | M | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.02 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -81.4 | -18.4 | -177.7 | -63.5 | -50.3 | -58.3 | 0 | 0 | 114 | L86 R94 Q95 A98 L109 T110 L113 I125 V126 A127 | L86-M129 HydrophobicContact CD1-SD 4.12Å; L86-M129 HydrophobicContact CD2-SD 3.83Å; R94-M129 HydrophobicContact CB-CE 4.24Å; R94-M129 HydrophobicContact CB-SD 4.32Å; Q95-M129 PolarHBondContact NE2-O 2.88Å; A98-M129 HydrophobicContact CB-CE 3.95Å; L109-M129 HydrophobicContact CD2-CE 3.68Å; L109-M129 HydrophobicContact CG-CE 4.17Å; T110-M129 HydrophobicContact CG2-CB 4.17Å; L113-M129 HydrophobicContact CD1-CG 3.86Å; L113-M129 HydrophobicContact CD1-SD 4.17Å; I125-M129 PolarHBondContact O-N 2.77Å; V126-M129 PolarHBondContact O-N 3.42Å; A127-M129 PolarHBondContact O-N 3.35Å |
| 130 | Y | 97.4 | Very high | 97.9 | Very high | 46 Ų | 46 | 33.1 Ų | 33.1 | 18% | 0.18 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -75.1 | 136.6 | 178.7 | -79.1 | -93.7 | 0 | 0 | 0 | 112 | N91 V126 A127 R134 Y135 K138 | N91-Y130 PolarHBondContact ND2-O 2.71Å; V126-Y130 HydrophobicContact CG1-CE2 3.89Å; V126-Y130 VanDerWaalsContact O-CD2 3.3Å; V126-Y130 WeakPolarHBondContact O-CD2 3.44Å; A127-Y130 PolarHBondContact O-N 3.06Å; Y130-R134 HydrophobicContact CD1-CB 4.45Å; Y130-Y135 HydrophobicContact CD2-CD2 4.38Å; Y130-Y135 HydrophobicContact CG-CD2 4.31Å; Y130-K138 HydrophobicContact CD1-CD 4.29Å; Y130-K138 HydrophobicContact CD2-CD 4.29Å; Y130-K138 HydrophobicContact CE1-CB 4.45Å; Y130-K138 HydrophobicContact CE1-CD 3.7Å; Y130-K138 HydrophobicContact CE2-CD 3.71Å |
| 131 | P | 97.4 | Very high | 97.9 | Very high | 44 Ų | 44 | 31.3 Ų | 31.3 | 29% | 0.286 | 14% | 0.143 | S | C | . | . | trans | -56.3 | 148.2 | 163.8 | -23.9 | 34.2 | 0 | 0 | 0 | 111.3 | Y133 R134 Y135 | P131-Y133 PolarHBondContact O-N 3.18Å; P131-R134 HydrophobicContact CB-CB 4.33Å; P131-R134 CarbonylContact O-C 3.52Å; P131-R134 PolarHBondContact O-N 3.48Å; P131-R134 VanDerWaalsContact O-N 3.07Å; P131-Y135 PolarHBondContact O-N 3.23Å | ||
| 132 | P | 91.9 | Very high | 97.9 | Very high | 71 Ų | 71 | 32 Ų | 32 | 46% | 0.461 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -51 | -54 | -165.7 | -30.2 | 36 | 0 | 0 | 0 | 114.9 | R134 Y135 E136 | P132-R134 PolarHBondContact O-N 3.05Å; P132-Y135 WeakPolarHBondContact O-CB 3.4Å; P132-Y135 PolarHBondContact O-N 3.06Å; P132-E136 WeakPolarHBondContact O-CG 3.25Å; P132-E136 PolarHBondContact O-N 3.31Å |
| 133 | Y | 96.8 | Very high | 97.8 | Very high | 90 Ų | 90 | 29.6 Ų | 29.6 | 35% | 0.353 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -73.4 | -28.9 | -177.2 | -49.2 | -51 | 0 | 0 | 0 | 113.3 | P131 E136 A137 Q165 E168 I169 | P131-Y133 PolarHBondContact O-N 3.18Å; Y133-E136 PolarHBondContact O-N 2.79Å; Y133-A137 WeakPolarHBondContact O-CB 3.49Å; Y133-A137 PolarHBondContact O-N 3.28Å; Y133-Q165 HydrophobicContact CE1-CB 4.11Å; Y133-Q165 HydrophobicContact CE1-CG 4.02Å; Y133-E168 HydrophobicContact CD1-CB 4.12Å; Y133-E168 HydrophobicContact CD2-CB 3.32Å; Y133-E168 HydrophobicContact CD2-CG 3.97Å; Y133-E168 HydrophobicContact CE1-CB 4.43Å; Y133-E168 HydrophobicContact CE2-CB 3.66Å; Y133-E168 HydrophobicContact CE2-CG 3.81Å; Y133-E168 HydrophobicContact CG-CB 3.56Å; Y133-I169 HydrophobicContact CD1-CG1 4.06Å; Y133-I169 HydrophobicContact CG-CG1 4.48Å |
| 134 | R | 97.9 | Very high | 97.8 | Very high | 77 Ų | 77 | 24.5 Ų | 24.5 | 29% | 0.291 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -71.2 | -31.2 | 172.5 | -76.7 | 171.5 | 165.7 | -102.7 | -8.2 | 111.9 | Y130 P131 P132 K138 A172 E175 D176 | Y130-R134 HydrophobicContact CD1-CB 4.45Å; P131-R134 HydrophobicContact CB-CB 4.33Å; P131-R134 CarbonylContact O-C 3.52Å; P131-R134 PolarHBondContact O-N 3.48Å; P131-R134 VanDerWaalsContact O-N 3.07Å; P132-R134 PolarHBondContact O-N 3.05Å; R134-K138 WeakPolarHBondContact O-CB 3.07Å; R134-K138 PolarHBondContact O-N 3.17Å; R134-A172 HydrophobicContact CG-CB 3.72Å; R134-E175 IonicContact CZ-OE2 2.6Å; R134-E175 IonicContact NE-OE2 3.65Å; R134-E175 IonicContact NH2-OE2 3.57Å; R134-E175 PolarHBondContact NH2-OE2 3.27Å; R134-D176 IonicContact CZ-OD1 3.23Å; R134-D176 IonicContact CZ-OD2 2.76Å; R134-D176 IonicContact NE-OD2 2.74Å; R134-D176 IonicContact NH1-OD1 2.85Å; R134-D176 PolarHBondContact NH1-OD1 2.92Å; R134-D176 IonicContact NH1-OD2 3.12Å; R134-D176 PolarHBondContact NH1-OD2 3.02Å; R134-D176 IonicContact NH2-OD1 2.75Å; R134-D176 PolarHBondContact NH2-OD1 3.1Å; R134-D176 VanDerWaalsContact NH2-OD1 3.14Å |
| 135 | Y | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 31 Ų | 31 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.3 | -45 | 171.5 | -177.5 | -126.3 | 0 | 0 | 0 | 111.1 | A127 Y130 P131 P132 K138 E139 R316 V319 | A127-Y135 HydrophobicContact CB-CD2 4.25Å; A127-Y135 HydrophobicContact CB-CE2 3.48Å; A127-Y135 VanDerWaalsContact CB-CE2 3.48Å; Y130-Y135 HydrophobicContact CD2-CD2 4.38Å; Y130-Y135 HydrophobicContact CG-CD2 4.31Å; P131-Y135 PolarHBondContact O-N 3.23Å; P132-Y135 WeakPolarHBondContact O-CB 3.4Å; P132-Y135 PolarHBondContact O-N 3.06Å; Y135-K138 PolarHBondContact O-N 2.9Å; Y135-E139 HydrophobicContact CD2-CG 4.3Å; Y135-E139 HydrophobicContact CE1-CG 4.26Å; Y135-E139 HydrophobicContact CE2-CG 3.76Å; Y135-E139 WeakPolarHBondContact O-CG 3.27Å; Y135-E139 PolarHBondContact O-N 3.03Å; Y135-E139 PolarHBondContact OH-OE1 2.83Å; Y135-R316 HydrophobicContact CE1-CB 4.35Å; Y135-R316 HydrophobicContact CE1-CG 3.96Å; Y135-R316 VanDerWaalsContact OH-CA 3.31Å; Y135-R316 WeakPolarHBondContact OH-CA 3.48Å; Y135-V319 HydrophobicContact CD1-CG1 3.98Å; Y135-V319 HydrophobicContact CE1-CB 4.05Å; Y135-V319 HydrophobicContact CE1-CG1 3.77Å |
| 136 | E | 98.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 33 Ų | 33 | 3% | 0.033 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70 | -41 | -179.1 | -66.5 | 166.1 | 137.6 | 0 | 0 | 111.7 | P132 Y133 K138 E139 L140 R161 I169 | P132-E136 WeakPolarHBondContact O-CG 3.25Å; P132-E136 PolarHBondContact O-N 3.31Å; Y133-E136 PolarHBondContact O-N 2.79Å; E136-K138 VanDerWaalsContact C-N 3.33Å; E136-K138 PolarHBondContact O-N 2.74Å; E136-E139 PolarHBondContact O-N 3.35Å; E136-L140 WeakPolarHBondContact O-CG 3.44Å; E136-L140 PolarHBondContact O-N 3.23Å; E136-R161 IonicContact OE1-CZ 3.68Å; E136-R161 IonicContact OE1-NE 3.84Å; E136-R161 PolarHBondContact OE1-NE 3.35Å; E136-R161 IonicContact OE1-NH2 2.74Å; E136-R161 PolarHBondContact OE1-NH2 2.99Å; E136-I169 HydrophobicContact CB-CD1 3.85Å; E136-I169 HydrophobicContact CB-CG1 3.92Å; E136-I169 HydrophobicContact CB-CG2 4.37Å; E136-I169 HydrophobicContact CG-CD1 4.43Å; E136-I169 WeakPolarHBondContact OE2-CD1 3.48Å |
| 137 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.5 | -44.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y133 L140 H141 I169 A172 Y173 Y177 | Y133-A137 WeakPolarHBondContact O-CB 3.49Å; Y133-A137 PolarHBondContact O-N 3.28Å; A137-L140 PolarHBondContact O-N 2.94Å; A137-H141 PolarHBondContact O-N 2.83Å; A137-I169 HydrophobicContact CB-CG2 4.37Å; A137-A172 HydrophobicContact CB-CB 4.13Å; A137-Y173 HydrophobicContact CB-CD2 4.1Å; A137-Y173 HydrophobicContact CB-CG 4.46Å; A137-Y173 WeakPolarHBondContact O-CD2 3.47Å; A137-Y177 HydrophobicContact CB-CE2 4.46Å |
| 138 | K | 98.4 | Very high | 96.1 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 17% | 0.17 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 174.1 | 175.1 | -174.1 | 168 | -55.5 | 0 | 112.8 | Y130 R134 Y135 E136 L140 H141 D142 Y177 | Y130-K138 HydrophobicContact CD1-CD 4.29Å; Y130-K138 HydrophobicContact CD2-CD 4.29Å; Y130-K138 HydrophobicContact CE1-CB 4.45Å; Y130-K138 HydrophobicContact CE1-CD 3.7Å; Y130-K138 HydrophobicContact CE2-CD 3.71Å; R134-K138 WeakPolarHBondContact O-CB 3.07Å; R134-K138 PolarHBondContact O-N 3.17Å; Y135-K138 PolarHBondContact O-N 2.9Å; E136-K138 VanDerWaalsContact C-N 3.33Å; E136-K138 PolarHBondContact O-N 2.74Å; K138-L140 VanDerWaalsContact C-N 3.27Å; K138-L140 PolarHBondContact O-N 2.88Å; K138-H141 PolarHBondContact O-N 3.31Å; K138-D142 IonicContact NZ-OD2 3.97Å; K138-D142 PolarHBondContact NZ-OD2 3.26Å; K138-D142 VanDerWaalsContact O-CB 3.26Å; K138-D142 WeakPolarHBondContact O-CB 3.41Å; K138-D142 PolarHBondContact O-N 3.3Å; K138-Y177 VanDerWaalsContact CA-OH 3.27Å; K138-Y177 WeakPolarHBondContact CA-OH 3.48Å; K138-Y177 WeakPolarHBondContact CB-OH 3.5Å |
| 139 | E | 98.6 | Very high | 95.9 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 9% | 0.093 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.5 | -30.6 | 179.9 | -71.5 | -76.5 | 128.4 | 0 | 0 | 112 | Y135 E136 A143 V153 I157 R316 | Y135-E139 HydrophobicContact CD2-CG 4.3Å; Y135-E139 HydrophobicContact CE1-CG 4.26Å; Y135-E139 HydrophobicContact CE2-CG 3.76Å; Y135-E139 WeakPolarHBondContact O-CG 3.27Å; Y135-E139 PolarHBondContact O-N 3.03Å; Y135-E139 PolarHBondContact OH-OE1 2.83Å; E136-E139 PolarHBondContact O-N 3.35Å; E139-A143 WeakPolarHBondContact O-CB 3.5Å; E139-A143 PolarHBondContact O-N 3.03Å; E139-A143 VanDerWaalsContact O-N 3.15Å; E139-V153 HydrophobicContact CB-CG1 4.47Å; E139-I157 HydrophobicContact CB-CD1 3.98Å; E139-R316 HydrophobicContact CG-CG 4.16Å; E139-R316 WeakPolarHBondContact OE2-CD 3.4Å; E139-R316 IonicContact OE2-CZ 2.61Å; E139-R316 IonicContact OE2-NE 3.31Å; E139-R316 IonicContact OE2-NH1 2.81Å; E139-R316 PolarHBondContact OE2-NH1 3.04Å |
| 140 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.7 | -49 | 169.9 | -70.4 | 165.4 | 0 | 0 | 0 | 111.9 | E136 A137 K138 D142 A143 M144 I154 I157 L158 I169 Y173 L181 | E136-L140 WeakPolarHBondContact O-CG 3.44Å; E136-L140 PolarHBondContact O-N 3.23Å; A137-L140 PolarHBondContact O-N 2.94Å; K138-L140 VanDerWaalsContact C-N 3.27Å; K138-L140 PolarHBondContact O-N 2.88Å; L140-D142 VanDerWaalsContact C-N 3.33Å; L140-D142 PolarHBondContact O-N 3.03Å; L140-A143 WeakPolarHBondContact O-CA 3.35Å; L140-A143 VanDerWaalsContact O-CB 3.27Å; L140-A143 WeakPolarHBondContact O-CB 3.41Å; L140-A143 PolarHBondContact O-N 3.29Å; L140-M144 PolarHBondContact O-N 3.29Å; L140-I154 HydrophobicContact CD2-CB 4.23Å; L140-I154 HydrophobicContact CD2-CG1 4.26Å; L140-I154 HydrophobicContact CD2-CG2 3.99Å; L140-I157 HydrophobicContact CD1-CG2 4.09Å; L140-I157 HydrophobicContact CD2-CB 4.18Å; L140-I157 HydrophobicContact CD2-CD1 3.96Å; L140-I157 HydrophobicContact CD2-CG2 4.36Å; L140-I157 HydrophobicContact CG-CD1 3.81Å; L140-I157 HydrophobicContact CG-CG2 4.33Å; L140-L158 HydrophobicContact CD1-CD1 4.32Å; L140-L158 HydrophobicContact CD2-CD1 3.85Å; L140-I169 HydrophobicContact CD1-CG2 3.66Å; L140-Y173 HydrophobicContact CB-CD2 4.37Å; L140-Y173 HydrophobicContact CB-CE2 4.16Å; L140-L181 HydrophobicContact CB-CD1 4.11Å; L140-L181 HydrophobicContact CD1-CD1 3.92Å; L140-L181 HydrophobicContact CD1-CD2 3.72Å; L140-L181 HydrophobicContact CG-CD1 4.46Å |
| 141 | H | 98.5 | Very high | 95.9 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 22% | 0.218 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 177 | 172.8 | -101.4 | 0 | 0 | 0 | 111.5 | A137 K138 A143 M144 K145 Y173 Y177 | A137-H141 PolarHBondContact O-N 2.83Å; K138-H141 PolarHBondContact O-N 3.31Å; H141-A143 PolarHBondContact O-N 2.77Å; H141-M144 PolarHBondContact O-N 2.76Å; H141-K145 WeakPolarHBondContact CE1-CD 3.3Å; H141-K145 VanDerWaalsContact O-CB 3.3Å; H141-K145 WeakPolarHBondContact O-CB 3.43Å; H141-K145 WeakPolarHBondContact O-CG 3.46Å; H141-K145 PolarHBondContact O-N 3.35Å; H141-Y173 HydrophobicContact CB-CE2 3.68Å; H141-Y177 HydrophobicContact CB-CD1 4.37Å; H141-Y177 HydrophobicContact CB-CD2 3.9Å; H141-Y177 HydrophobicContact CB-CE1 4.07Å; H141-Y177 HydrophobicContact CB-CE2 3.54Å; H141-Y177 HydrophobicContact CB-CG 4.32Å; H141-Y177 AromaticContact CD2-CD1 3.58Å; H141-Y177 AromaticContact CD2-CE1 3.93Å; H141-Y177 AromaticContact CD2-CG 3.78Å; H141-Y177 AromaticContact CE1-CD1 3.79Å; H141-Y177 AromaticContact CE1-CE1 3.66Å; H141-Y177 AromaticContact CG-CD1 3.7Å; H141-Y177 AromaticContact CG-CE1 3.56Å; H141-Y177 AromaticContact CG-CE2 3.94Å; H141-Y177 AromaticContact CG-CG 3.99Å; H141-Y177 AromaticContact CG-CZ 3.7Å; H141-Y177 AromaticContact ND1-CD1 3.84Å; H141-Y177 AromaticContact ND1-CE1 3.39Å; H141-Y177 WeakPolarHBondContact ND1-CE1 3.39Å; H141-Y177 AromaticContact ND1-CZ 3.76Å; H141-Y177 AromaticContact NE2-CD1 3.68Å |
| 142 | D | 97.6 | Very high | 95.9 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 18% | 0.176 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.1 | -13.3 | 173.7 | -75.4 | -6.9 | 0 | 0 | 0 | 113.5 | K138 L140 K145 K150 | K138-D142 IonicContact NZ-OD2 3.97Å; K138-D142 PolarHBondContact NZ-OD2 3.26Å; K138-D142 VanDerWaalsContact O-CB 3.26Å; K138-D142 WeakPolarHBondContact O-CB 3.41Å; K138-D142 PolarHBondContact O-N 3.3Å; L140-D142 VanDerWaalsContact C-N 3.33Å; L140-D142 PolarHBondContact O-N 3.03Å; D142-K145 WeakPolarHBondContact OD1-CE 3.38Å; D142-K145 IonicContact OD1-NZ 2.68Å; D142-K145 PolarHBondContact OD1-NZ 3.21Å; D142-K150 PolarHBondContact O-NZ 3.1Å |
| 143 | A | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -84.9 | -27.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E139 L140 H141 T149 K150 V153 I154 | E139-A143 WeakPolarHBondContact O-CB 3.5Å; E139-A143 PolarHBondContact O-N 3.03Å; E139-A143 VanDerWaalsContact O-N 3.15Å; L140-A143 WeakPolarHBondContact O-CA 3.35Å; L140-A143 VanDerWaalsContact O-CB 3.27Å; L140-A143 WeakPolarHBondContact O-CB 3.41Å; L140-A143 PolarHBondContact O-N 3.29Å; H141-A143 PolarHBondContact O-N 2.77Å; A143-T149 WeakPolarHBondContact O-CA 3.31Å; A143-K150 HydrophobicContact CB-CB 3.9Å; A143-K150 PolarHBondContact O-N 2.85Å; A143-V153 HydrophobicContact CB-CB 3.97Å; A143-V153 HydrophobicContact CB-CG1 4.06Å; A143-I154 HydrophobicContact CB-CD1 4.43Å; A143-I154 HydrophobicContact CB-CG1 3.94Å |
| 144 | M | 97.8 | Very high | 96.3 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.064 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -106.6 | -32.9 | -174.5 | -61.2 | 179.9 | -63.6 | 0 | 0 | 113.8 | L140 H141 G146 I154 Y173 L181 D184 I185 D188 | L140-M144 PolarHBondContact O-N 3.29Å; H141-M144 PolarHBondContact O-N 2.76Å; M144-G146 PolarHBondContact O-N 2.81Å; M144-I154 HydrophobicContact CG-CD1 3.68Å; M144-I154 HydrophobicContact SD-CD1 4.02Å; M144-Y173 HydrophobicContact CE-CE2 4.05Å; M144-Y173 VanDerWaalsContact CE-OH 3.25Å; M144-Y173 WeakPolarHBondContact CE-OH 3.47Å; M144-L181 HydrophobicContact CE-CD1 3.92Å; M144-D184 HydrophobicContact CE-CB 3.84Å; M144-D184 HydrophobicContact SD-CB 4.24Å; M144-I185 HydrophobicContact CE-CG1 4.36Å; M144-I185 HydrophobicContact SD-CG1 3.64Å; M144-D188 WeakPolarHBondContact CA-OD2 3.2Å; M144-D188 HydrophobicContact CB-CB 4.25Å; M144-D188 WeakPolarHBondContact CB-OD2 3.35Å; M144-D188 HydrophobicContact CG-CB 4.25Å; M144-D188 HydrophobicContact SD-CB 4.45Å |
| 145 | K | 92.6 | Very high | 96.3 | Very high | 135 Ų | 135 | 40 Ų | 40 | 59% | 0.587 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -65 | -0.4 | -176.2 | 79.6 | -174.1 | -162.6 | -173.3 | 0 | 116.5 | H141 D142 | H141-K145 WeakPolarHBondContact CE1-CD 3.3Å; H141-K145 VanDerWaalsContact O-CB 3.3Å; H141-K145 WeakPolarHBondContact O-CB 3.43Å; H141-K145 WeakPolarHBondContact O-CG 3.46Å; H141-K145 PolarHBondContact O-N 3.35Å; D142-K145 WeakPolarHBondContact OD1-CE 3.38Å; D142-K145 IonicContact OD1-NZ 2.68Å; D142-K145 PolarHBondContact OD1-NZ 3.21Å |
| 146 | G | 86.3 | Confident | 96.3 | Very high | 42 Ų | 42 | 39.7 Ų | 39.7 | 43% | 0.433 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -100.1 | -177.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M144 G148 | M144-G146 PolarHBondContact O-N 2.81Å; G146-G148 PolarHBondContact O-N 3.39Å; G146-G148 VanDerWaalsContact O-N 3.09Å |
| 147 | L | 86.5 | Confident | 96.3 | Very high | 194 Ų | 194 | 39.3 Ų | 39.3 | 100% | 1.016 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -74.3 | 97.3 | 162.4 | -72.7 | 178 | 0 | 0 | 0 | 108.8 | ||
| 148 | G | 91.6 | Very high | 96.3 | Very high | 52 Ų | 52 | 39.3 Ų | 39.3 | 54% | 0.536 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 80.3 | 154.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G146 | G146-G148 PolarHBondContact O-N 3.39Å; G146-G148 VanDerWaalsContact O-N 3.09Å |
| 149 | T | 95.6 | Very high | 96.2 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 23% | 0.233 | 21% | 0.212 | C | C | . | . | trans | -86.4 | 136.3 | -170 | -42.2 | 0 | 0 | 0 | 0 | 112.3 | A143 E151 I154 D188 T189 | A143-T149 WeakPolarHBondContact O-CA 3.31Å; T149-E151 VanDerWaalsContact C-N 3.27Å; T149-E151 HydrophobicContact CG2-CG 3.83Å; T149-E151 PolarHBondContact O-N 3.37Å; T149-I154 HydrophobicContact CG2-CD1 3.58Å; T149-D188 VanDerWaalsContact CB-OD2 3.25Å; T149-D188 WeakPolarHBondContact CB-OD2 3.46Å; T149-D188 WeakPolarHBondContact CG2-OD2 3.23Å; T149-D188 PolarHBondContact OG1-O 3.42Å; T149-D188 VanDerWaalsContact OG1-O 3.1Å; T149-D188 PolarHBondContact OG1-OD2 2.89Å; T149-T189 HydrophobicContact CG2-CG2 4.27Å | ||
| 150 | K | 96.9 | Very high | 96.1 | Very high | 115 Ų | 115 | 36.8 Ų | 36.8 | 50% | 0.5 | 21% | 0.209 | S | C | . | . | trans | -89.6 | 64.7 | 170.3 | -56.4 | 178.3 | -167.1 | 127.4 | 0 | 110.1 | D142 A143 G152 V153 | D142-K150 PolarHBondContact O-NZ 3.1Å; A143-K150 HydrophobicContact CB-CB 3.9Å; A143-K150 PolarHBondContact O-N 2.85Å; K150-G152 VanDerWaalsContact C-N 3.27Å; K150-G152 PolarHBondContact O-N 3.25Å; K150-G152 VanDerWaalsContact O-N 3.12Å; K150-V153 HydrophobicContact CB-CB 4.37Å; K150-V153 HydrophobicContact CB-CG2 3.89Å; K150-V153 VanDerWaalsContact O-CB 3.31Å; K150-V153 WeakPolarHBondContact O-CB 3.49Å; K150-V153 PolarHBondContact O-N 2.83Å | ||
| 151 | E | 97.4 | Very high | 95.9 | Very high | 62 Ų | 62 | 36.9 Ų | 36.9 | 29% | 0.29 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -48.3 | -44.4 | -172.1 | -61.3 | 173.1 | 143.6 | 0 | 0 | 113.1 | T149 V153 I154 I155 L193 S277 | T149-E151 VanDerWaalsContact C-N 3.27Å; T149-E151 HydrophobicContact CG2-CG 3.83Å; T149-E151 PolarHBondContact O-N 3.37Å; E151-V153 PolarHBondContact O-N 2.9Å; E151-V153 VanDerWaalsContact O-N 3.08Å; E151-I154 WeakPolarHBondContact O-CA 3.24Å; E151-I154 WeakPolarHBondContact O-CB 3.45Å; E151-I154 PolarHBondContact O-N 2.93Å; E151-I155 HydrophobicContact CB-CD1 4.46Å; E151-I155 WeakPolarHBondContact O-CG1 3.18Å; E151-I155 PolarHBondContact O-N 3.08Å; E151-L193 HydrophobicContact CB-CD2 4.09Å; E151-L193 VanDerWaalsContact CD-CD2 3.41Å; E151-L193 HydrophobicContact CG-CD2 3.77Å; E151-L193 WeakPolarHBondContact OE1-CD2 3.19Å; E151-S277 VanDerWaalsContact OE2-CB 3.23Å; E151-S277 WeakPolarHBondContact OE2-CB 3.42Å; E151-S277 PolarHBondContact OE2-OG 2.98Å |
| 152 | G | 97.8 | Very high | 95.6 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 19% | 0.186 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -7.9 | 177 | 0 | 0 | 0 | 0 | 0 | 116.3 | K150 E156 R299 | K150-G152 VanDerWaalsContact C-N 3.27Å; K150-G152 PolarHBondContact O-N 3.25Å; K150-G152 VanDerWaalsContact O-N 3.12Å; G152-E156 WeakPolarHBondContact O-CB 3.29Å; G152-R299 PolarHBondContact O-NH2 3.36Å |
| 153 | V | 98.4 | Very high | 95.2 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -84.9 | -44.7 | 166.4 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | E139 A143 K150 E151 E156 I157 | E139-V153 HydrophobicContact CB-CG1 4.47Å; A143-V153 HydrophobicContact CB-CB 3.97Å; A143-V153 HydrophobicContact CB-CG1 4.06Å; K150-V153 HydrophobicContact CB-CB 4.37Å; K150-V153 HydrophobicContact CB-CG2 3.89Å; K150-V153 VanDerWaalsContact O-CB 3.31Å; K150-V153 WeakPolarHBondContact O-CB 3.49Å; K150-V153 PolarHBondContact O-N 2.83Å; E151-V153 PolarHBondContact O-N 2.9Å; E151-V153 VanDerWaalsContact O-N 3.08Å; V153-E156 PolarHBondContact O-N 3.21Å; V153-I157 HydrophobicContact CG1-CD1 3.94Å; V153-I157 WeakPolarHBondContact O-CG1 3.4Å; V153-I157 PolarHBondContact O-N 3.24Å |
| 154 | I | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -48.7 | 179.3 | -49.5 | 174.9 | 0 | 0 | 0 | 109.4 | L140 A143 M144 T149 E151 E156 I157 L158 I185 L197 | L140-I154 HydrophobicContact CD2-CB 4.23Å; L140-I154 HydrophobicContact CD2-CG1 4.26Å; L140-I154 HydrophobicContact CD2-CG2 3.99Å; A143-I154 HydrophobicContact CB-CD1 4.43Å; A143-I154 HydrophobicContact CB-CG1 3.94Å; M144-I154 HydrophobicContact CG-CD1 3.68Å; M144-I154 HydrophobicContact SD-CD1 4.02Å; T149-I154 HydrophobicContact CG2-CD1 3.58Å; E151-I154 WeakPolarHBondContact O-CA 3.24Å; E151-I154 WeakPolarHBondContact O-CB 3.45Å; E151-I154 PolarHBondContact O-N 2.93Å; I154-E156 PolarHBondContact O-N 3.44Å; I154-I157 PolarHBondContact O-N 3.49Å; I154-L158 HydrophobicContact CG2-CD1 4.13Å; I154-L158 HydrophobicContact CG2-CD2 4.08Å; I154-L158 WeakPolarHBondContact O-CB 3.24Å; I154-L158 PolarHBondContact O-N 3.08Å; I154-I185 HydrophobicContact CG2-CD1 3.7Å; I154-I185 HydrophobicContact CG2-CG1 4.25Å; I154-L197 HydrophobicContact CG2-CD1 3.93Å; I154-L197 HydrophobicContact CG2-CD2 4.16Å |
| 155 | I | 98.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.3 | -51.4 | 173.8 | -68.1 | 166.1 | 0 | 0 | 0 | 111.2 | E151 I157 A159 L193 L197 S277 E280 A281 T284 | E151-I155 HydrophobicContact CB-CD1 4.46Å; E151-I155 WeakPolarHBondContact O-CG1 3.18Å; E151-I155 PolarHBondContact O-N 3.08Å; I155-I157 VanDerWaalsContact C-N 3.34Å; I155-I157 PolarHBondContact O-N 3.07Å; I155-A159 VanDerWaalsContact O-CB 3.22Å; I155-A159 WeakPolarHBondContact O-CB 3.41Å; I155-A159 PolarHBondContact O-N 2.83Å; I155-L193 HydrophobicContact CD1-CD1 4Å; I155-L193 HydrophobicContact CG1-CD1 4.15Å; I155-L197 HydrophobicContact CG1-CD2 4.01Å; I155-S277 WeakPolarHBondContact CD1-O 3.37Å; I155-E280 HydrophobicContact CD1-CB 4.21Å; I155-E280 HydrophobicContact CD1-CG 4.25Å; I155-E280 HydrophobicContact CG2-CG 4.37Å; I155-A281 HydrophobicContact CD1-CB 4.09Å; I155-A281 HydrophobicContact CG1-CB 4.03Å; I155-A281 HydrophobicContact CG2-CB 4.28Å; I155-T284 HydrophobicContact CG2-CG2 4.04Å |
| 156 | E | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | -179.2 | 177.9 | -175.3 | 94.2 | 0 | 0 | 111.4 | G152 V153 I154 S160 Y295 R299 R316 N317 | G152-E156 WeakPolarHBondContact O-CB 3.29Å; V153-E156 PolarHBondContact O-N 3.21Å; I154-E156 PolarHBondContact O-N 3.44Å; E156-S160 VanDerWaalsContact O-CB 3.22Å; E156-S160 WeakPolarHBondContact O-CB 3.39Å; E156-S160 PolarHBondContact O-N 3.3Å; E156-S160 PolarHBondContact O-OG 3.49Å; E156-Y295 HydrophobicContact CG-CE1 4.35Å; E156-R299 IonicContact OE2-CZ 2.73Å; E156-R299 VanDerWaalsContact OE2-CZ 3.23Å; E156-R299 IonicContact OE2-NE 3.47Å; E156-R299 PolarHBondContact OE2-NE 3.41Å; E156-R299 IonicContact OE2-NH2 2.75Å; E156-R299 PolarHBondContact OE2-NH2 3.25Å; E156-R316 IonicContact OE1-CZ 2.65Å; E156-R316 IonicContact OE1-NE 2.66Å; E156-R316 PolarHBondContact OE1-NE 3.05Å; E156-R316 IonicContact OE1-NH2 2.59Å; E156-R316 PolarHBondContact OE1-NH2 3.26Å; E156-R316 IonicContact OE2-NH2 3.14Å; E156-N317 VanDerWaalsContact CD-ND2 3.32Å; E156-N317 PolarHBondContact OE1-ND2 2.91Å; E156-N317 PolarHBondContact OE1-OD1 2.86Å; E156-N317 PolarHBondContact OE2-ND2 2.86Å |
| 157 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.5 | -51.3 | -178.1 | -64.4 | 168.7 | 0 | 0 | 0 | 110.8 | E139 L140 V153 I154 I155 A159 S160 R161 I169 | E139-I157 HydrophobicContact CB-CD1 3.98Å; L140-I157 HydrophobicContact CD1-CG2 4.09Å; L140-I157 HydrophobicContact CD2-CB 4.18Å; L140-I157 HydrophobicContact CD2-CD1 3.96Å; L140-I157 HydrophobicContact CD2-CG2 4.36Å; L140-I157 HydrophobicContact CG-CD1 3.81Å; L140-I157 HydrophobicContact CG-CG2 4.33Å; V153-I157 HydrophobicContact CG1-CD1 3.94Å; V153-I157 WeakPolarHBondContact O-CG1 3.4Å; V153-I157 PolarHBondContact O-N 3.24Å; I154-I157 PolarHBondContact O-N 3.49Å; I155-I157 VanDerWaalsContact C-N 3.34Å; I155-I157 PolarHBondContact O-N 3.07Å; I157-A159 PolarHBondContact O-N 3.24Å; I157-S160 PolarHBondContact O-N 3.24Å; I157-R161 HydrophobicContact CG2-CG 4.49Å; I157-R161 WeakPolarHBondContact O-CB 3.45Å; I157-R161 WeakPolarHBondContact O-CD 3.46Å; I157-R161 PolarHBondContact O-N 3.35Å; I157-I169 HydrophobicContact CG2-CD1 4.3Å |
| 158 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | -174.6 | -89.1 | 57.4 | 0 | 0 | 0 | 112.5 | L140 I154 I185 L197 L200 L201 | L140-L158 HydrophobicContact CD1-CD1 4.32Å; L140-L158 HydrophobicContact CD2-CD1 3.85Å; I154-L158 HydrophobicContact CG2-CD1 4.13Å; I154-L158 HydrophobicContact CG2-CD2 4.08Å; I154-L158 WeakPolarHBondContact O-CB 3.24Å; I154-L158 PolarHBondContact O-N 3.08Å; L158-I185 HydrophobicContact CD2-CD1 3.76Å; L158-L197 HydrophobicContact CD2-CB 3.93Å; L158-L197 HydrophobicContact CD2-CD2 3.99Å; L158-L197 WeakPolarHBondContact CD2-O 3.49Å; L158-L200 HydrophobicContact CB-CB 4.19Å; L158-L200 HydrophobicContact CB-CD1 4.28Å; L158-L201 HydrophobicContact CD1-CD2 4.19Å; L158-L201 HydrophobicContact CD2-CD1 4.36Å; L158-L201 HydrophobicContact CD2-CD2 4.01Å; L158-L201 HydrophobicContact CD2-CG 3.77Å; L158-L201 HydrophobicContact CG-CD2 3.85Å; L158-L201 HydrophobicContact CG-CG 4.15Å |
| 159 | A | 96.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.9 | -29.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I155 I157 L200 R205 T284 V285 | I155-A159 VanDerWaalsContact O-CB 3.22Å; I155-A159 WeakPolarHBondContact O-CB 3.41Å; I155-A159 PolarHBondContact O-N 2.83Å; I157-A159 PolarHBondContact O-N 3.24Å; A159-L200 HydrophobicContact CB-CD1 4.17Å; A159-R205 PolarHBondContact O-NH1 3.08Å; A159-T284 HydrophobicContact CB-CG2 3.5Å; A159-T284 VanDerWaalsContact CB-CG2 3.5Å; A159-V285 HydrophobicContact CB-CG2 3.8Å |
| 160 | S | 96.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -98.4 | -6.8 | -173.5 | 71.4 | 0 | 0 | 0 | 0 | 115.6 | E156 I157 F296 | E156-S160 VanDerWaalsContact O-CB 3.22Å; E156-S160 WeakPolarHBondContact O-CB 3.39Å; E156-S160 PolarHBondContact O-N 3.3Å; E156-S160 PolarHBondContact O-OG 3.49Å; I157-S160 PolarHBondContact O-N 3.24Å; S160-F296 WeakPolarHBondContact OG-CZ 3.43Å |
| 161 | R | 94.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -97.9 | 146 | 177.7 | -85.4 | 46.6 | 175.1 | -157.5 | -7.3 | 110.3 | E136 I157 Q165 L166 I169 R205 S320 | E136-R161 IonicContact OE1-CZ 3.68Å; E136-R161 IonicContact OE1-NE 3.84Å; E136-R161 PolarHBondContact OE1-NE 3.35Å; E136-R161 IonicContact OE1-NH2 2.74Å; E136-R161 PolarHBondContact OE1-NH2 2.99Å; I157-R161 HydrophobicContact CG2-CG 4.49Å; I157-R161 WeakPolarHBondContact O-CB 3.45Å; I157-R161 WeakPolarHBondContact O-CD 3.46Å; I157-R161 PolarHBondContact O-N 3.35Å; R161-Q165 HydrophobicContact CB-CB 4.11Å; R161-Q165 HydrophobicContact CG-CB 4.16Å; R161-L166 HydrophobicContact CB-CD2 3.71Å; R161-L166 HydrophobicContact CB-CG 3.95Å; R161-I169 HydrophobicContact CB-CD1 4.48Å; R161-I169 HydrophobicContact CG-CD1 3.86Å; R161-R205 PolarHBondContact O-NH2 3.2Å; R161-S320 PolarHBondContact NH2-OG 3.1Å |
| 162 | T | 92.1 | Very high | 96.4 | Very high | 56 Ų | 56 | 31.3 Ų | 31.3 | 34% | 0.344 | 15% | 0.154 | S | C | . | . | trans | -76.3 | 155.4 | 174.1 | 61 | 0 | 0 | 0 | 0 | 111.5 | N164 Q165 L166 D206 | T162-N164 PolarHBondContact O-N 3.04Å; T162-Q165 CarbonylContact O-C 3.6Å; T162-Q165 WeakPolarHBondContact O-CA 3.32Å; T162-Q165 WeakPolarHBondContact O-CB 3.34Å; T162-Q165 PolarHBondContact O-N 3.38Å; T162-Q165 WeakPolarHBondContact OG1-CG 3.34Å; T162-Q165 PolarHBondContact OG1-OE1 2.76Å; T162-L166 PolarHBondContact O-N 3.39Å; T162-D206 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 163 | K | 90.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 30.5 Ų | 30.5 | 25% | 0.252 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -42.7 | -39.3 | 172.5 | -174 | -176.6 | -177.6 | -170.2 | 0 | 114.3 | R167 D206 D207 | K163-R167 PolarHBondContact O-N 3.48Å; K163-R167 VanDerWaalsContact O-N 3.14Å; K163-D206 HydrophobicContact CB-CB 4.07Å; K163-D206 PolarHBondContact N-OD2 2.97Å; K163-D207 IonicContact NZ-OD1 3.75Å; K163-D207 PolarHBondContact NZ-OD1 2.9Å; K163-D207 IonicContact NZ-OD2 2.74Å; K163-D207 PolarHBondContact NZ-OD2 3.23Å |
| 164 | N | 91.1 | Very high | 96.4 | Very high | 102 Ų | 102 | 36 Ų | 36 | 55% | 0.545 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -74.1 | -36.4 | 177.6 | -73.2 | -26.8 | 0 | 0 | 0 | 112.8 | T162 R167 E168 | T162-N164 PolarHBondContact O-N 3.04Å; N164-R167 PolarHBondContact OD1-NH1 3.35Å; N164-R167 PolarHBondContact OD1-NH2 2.89Å; N164-E168 PolarHBondContact O-N 3.19Å |
| 165 | Q | 94.2 | Very high | 96.4 | Very high | 31 Ų | 31 | 41 Ų | 41 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.2 | -43.8 | 173.4 | -64.7 | 168.3 | -68.1 | 0 | 0 | 110.7 | Y133 R161 T162 R167 E168 I169 | Y133-Q165 HydrophobicContact CE1-CB 4.11Å; Y133-Q165 HydrophobicContact CE1-CG 4.02Å; R161-Q165 HydrophobicContact CB-CB 4.11Å; R161-Q165 HydrophobicContact CG-CB 4.16Å; T162-Q165 CarbonylContact O-C 3.6Å; T162-Q165 WeakPolarHBondContact O-CA 3.32Å; T162-Q165 WeakPolarHBondContact O-CB 3.34Å; T162-Q165 PolarHBondContact O-N 3.38Å; T162-Q165 WeakPolarHBondContact OG1-CG 3.34Å; T162-Q165 PolarHBondContact OG1-OE1 2.76Å; Q165-R167 VanDerWaalsContact C-N 3.31Å; Q165-R167 PolarHBondContact O-N 2.97Å; Q165-E168 PolarHBondContact O-N 2.81Å; Q165-E168 VanDerWaalsContact O-N 3.15Å; Q165-I169 VanDerWaalsContact O-CG1 3.25Å; Q165-I169 WeakPolarHBondContact O-CG1 3.27Å; Q165-I169 PolarHBondContact O-N 3.12Å |
| 166 | L | 95.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.8 | -41.5 | 176.9 | -67.7 | 176.9 | 0 | 0 | 0 | 112 | R161 T162 E168 I169 M170 L200 L201 | R161-L166 HydrophobicContact CB-CD2 3.71Å; R161-L166 HydrophobicContact CB-CG 3.95Å; T162-L166 PolarHBondContact O-N 3.39Å; L166-E168 PolarHBondContact O-N 2.52Å; L166-I169 HydrophobicContact CD2-CD1 4.42Å; L166-I169 PolarHBondContact O-N 3.08Å; L166-M170 VanDerWaalsContact O-CG 3.27Å; L166-M170 WeakPolarHBondContact O-CG 3.45Å; L166-M170 PolarHBondContact O-N 2.84Å; L166-L200 WeakPolarHBondContact CD1-O 3.35Å; L166-L201 HydrophobicContact CD2-CD2 4.45Å |
| 167 | R | 95.6 | Very high | 96.3 | Very high | 119 Ų | 119 | 47.2 Ų | 47.2 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 175 | -168.4 | -173.7 | -53.8 | 105.3 | 7.5 | 113 | K163 N164 Q165 I169 K171 | K163-R167 PolarHBondContact O-N 3.48Å; K163-R167 VanDerWaalsContact O-N 3.14Å; N164-R167 PolarHBondContact OD1-NH1 3.35Å; N164-R167 PolarHBondContact OD1-NH2 2.89Å; Q165-R167 VanDerWaalsContact C-N 3.31Å; Q165-R167 PolarHBondContact O-N 2.97Å; R167-I169 VanDerWaalsContact C-N 3.35Å; R167-K171 WeakPolarHBondContact O-CB 3.29Å; R167-K171 PolarHBondContact O-N 2.77Å; R167-K171 VanDerWaalsContact O-N 3.08Å |
| 168 | E | 96.8 | Very high | 96.3 | Very high | 75 Ų | 75 | 50.5 Ų | 50.5 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.3 | -31.1 | 178.1 | -61 | -59.4 | 127.7 | 0 | 0 | 112.1 | Y133 N164 Q165 L166 A172 | Y133-E168 HydrophobicContact CD1-CB 4.12Å; Y133-E168 HydrophobicContact CD2-CB 3.32Å; Y133-E168 HydrophobicContact CD2-CG 3.97Å; Y133-E168 HydrophobicContact CE1-CB 4.43Å; Y133-E168 HydrophobicContact CE2-CB 3.66Å; Y133-E168 HydrophobicContact CE2-CG 3.81Å; Y133-E168 HydrophobicContact CG-CB 3.56Å; N164-E168 PolarHBondContact O-N 3.19Å; Q165-E168 PolarHBondContact O-N 2.81Å; Q165-E168 VanDerWaalsContact O-N 3.15Å; L166-E168 PolarHBondContact O-N 2.52Å; E168-A172 WeakPolarHBondContact O-CB 3.21Å; E168-A172 PolarHBondContact O-N 2.72Å |
| 169 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.5 | -47.6 | 173.2 | -65.9 | 163.8 | 0 | 0 | 0 | 110.7 | Y133 E136 A137 L140 I157 R161 Q165 L166 R167 K171 A172 Y173 L181 | Y133-I169 HydrophobicContact CD1-CG1 4.06Å; Y133-I169 HydrophobicContact CG-CG1 4.48Å; E136-I169 HydrophobicContact CB-CD1 3.85Å; E136-I169 HydrophobicContact CB-CG1 3.92Å; E136-I169 HydrophobicContact CB-CG2 4.37Å; E136-I169 HydrophobicContact CG-CD1 4.43Å; E136-I169 WeakPolarHBondContact OE2-CD1 3.48Å; A137-I169 HydrophobicContact CB-CG2 4.37Å; L140-I169 HydrophobicContact CD1-CG2 3.66Å; I157-I169 HydrophobicContact CG2-CD1 4.3Å; R161-I169 HydrophobicContact CB-CD1 4.48Å; R161-I169 HydrophobicContact CG-CD1 3.86Å; Q165-I169 VanDerWaalsContact O-CG1 3.25Å; Q165-I169 WeakPolarHBondContact O-CG1 3.27Å; Q165-I169 PolarHBondContact O-N 3.12Å; L166-I169 HydrophobicContact CD2-CD1 4.42Å; L166-I169 PolarHBondContact O-N 3.08Å; R167-I169 VanDerWaalsContact C-N 3.35Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 2.96Å; I169-A172 PolarHBondContact O-N 2.85Å; I169-Y173 VanDerWaalsContact O-CB 3.31Å; I169-Y173 WeakPolarHBondContact O-CB 3.5Å; I169-Y173 PolarHBondContact O-N 2.99Å; I169-L181 HydrophobicContact CG2-CD2 4.28Å |
| 170 | M | 97.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 53.6 Ų | 53.6 | 28% | 0.281 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.4 | -47.3 | 176.6 | -71.4 | 168.1 | 74.6 | 0 | 0 | 111 | L166 Y173 E174 L181 L201 | L166-M170 VanDerWaalsContact O-CG 3.27Å; L166-M170 WeakPolarHBondContact O-CG 3.45Å; L166-M170 PolarHBondContact O-N 2.84Å; M170-Y173 WeakPolarHBondContact O-CB 3.38Å; M170-Y173 PolarHBondContact O-N 2.9Å; M170-E174 PolarHBondContact O-N 3Å; M170-L181 HydrophobicContact CG-CD2 3.96Å; M170-L201 HydrophobicContact CG-CD2 4.24Å; M170-L201 HydrophobicContact SD-CD2 4.24Å |
| 171 | K | 98.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 53.4 Ų | 53.4 | 47% | 0.47 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 175.6 | 177.4 | -177.4 | 165.8 | -171.1 | 0 | 112.2 | R167 I169 Y173 E174 E175 | R167-K171 WeakPolarHBondContact O-CB 3.29Å; R167-K171 PolarHBondContact O-N 2.77Å; R167-K171 VanDerWaalsContact O-N 3.08Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 2.96Å; K171-Y173 PolarHBondContact O-N 3.14Å; K171-E174 PolarHBondContact O-N 3.35Å; K171-E175 WeakPolarHBondContact CE-OE1 3.47Å; K171-E175 IonicContact NZ-OE1 3.33Å; K171-E175 WeakPolarHBondContact O-CB 3.37Å; K171-E175 WeakPolarHBondContact O-CG 3.36Å; K171-E175 PolarHBondContact O-N 2.99Å |
| 172 | A | 98.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R134 A137 E168 I169 D176 | R134-A172 HydrophobicContact CG-CB 3.72Å; A137-A172 HydrophobicContact CB-CB 4.13Å; E168-A172 WeakPolarHBondContact O-CB 3.21Å; E168-A172 PolarHBondContact O-N 2.72Å; I169-A172 PolarHBondContact O-N 2.85Å; A172-D176 WeakPolarHBondContact O-CB 3.24Å; A172-D176 PolarHBondContact O-N 3.12Å |
| 173 | Y | 98.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.2 | -49.9 | 176.3 | -167.5 | -77.2 | 0 | 0 | 0 | 111.3 | A137 L140 H141 M144 I169 M170 K171 E175 D176 Y177 S179 L181 D184 | A137-Y173 HydrophobicContact CB-CD2 4.1Å; A137-Y173 HydrophobicContact CB-CG 4.46Å; A137-Y173 WeakPolarHBondContact O-CD2 3.47Å; L140-Y173 HydrophobicContact CB-CD2 4.37Å; L140-Y173 HydrophobicContact CB-CE2 4.16Å; H141-Y173 HydrophobicContact CB-CE2 3.68Å; M144-Y173 HydrophobicContact CE-CE2 4.05Å; M144-Y173 VanDerWaalsContact CE-OH 3.25Å; M144-Y173 WeakPolarHBondContact CE-OH 3.47Å; I169-Y173 VanDerWaalsContact O-CB 3.31Å; I169-Y173 WeakPolarHBondContact O-CB 3.5Å; I169-Y173 PolarHBondContact O-N 2.99Å; M170-Y173 WeakPolarHBondContact O-CB 3.38Å; M170-Y173 PolarHBondContact O-N 2.9Å; K171-Y173 PolarHBondContact O-N 3.14Å; Y173-E175 VanDerWaalsContact C-N 3.34Å; Y173-E175 PolarHBondContact O-N 3.45Å; Y173-D176 PolarHBondContact O-N 2.82Å; Y173-Y177 AromaticContact CD1-CD2 3.97Å; Y173-Y177 HydrophobicContact CD1-CD2 3.97Å; Y173-Y177 AromaticContact CD2-CD2 3.78Å; Y173-Y177 HydrophobicContact CD2-CD2 3.78Å; Y173-Y177 HydrophobicContact CD2-CE2 4.09Å; Y173-Y177 HydrophobicContact CE1-CD2 4.06Å; Y173-Y177 HydrophobicContact CE1-CG 4.48Å; Y173-Y177 AromaticContact CE2-CD2 3.89Å; Y173-Y177 HydrophobicContact CE2-CD2 3.89Å; Y173-Y177 HydrophobicContact CE2-CE2 4.28Å; Y173-Y177 AromaticContact CG-CD2 3.82Å; Y173-Y177 HydrophobicContact CG-CD2 3.82Å; Y173-Y177 HydrophobicContact CG-CE2 4.46Å; Y173-Y177 WeakPolarHBondContact O-CB 3.14Å; Y173-Y177 WeakPolarHBondContact O-CD2 3.38Å; Y173-Y177 PolarHBondContact O-N 3.42Å; Y173-S179 WeakPolarHBondContact CD1-O 3.49Å; Y173-L181 HydrophobicContact CD1-CB 3.87Å; Y173-L181 HydrophobicContact CD2-CB 4.3Å; Y173-L181 HydrophobicContact CD2-CD1 3.83Å; Y173-L181 HydrophobicContact CD2-CG 4.49Å; Y173-L181 HydrophobicContact CE1-CB 4.32Å; Y173-L181 HydrophobicContact CE2-CD1 3.76Å; Y173-L181 HydrophobicContact CG-CB 3.88Å; Y173-L181 HydrophobicContact CG-CD1 4.28Å; Y173-D184 WeakPolarHBondContact CE1-OD2 3.33Å; Y173-D184 PolarHBondContact OH-OD2 2.65Å |
| 174 | E | 98.3 | Very high | 97.1 | Very high | 130 Ų | 130 | 57.6 Ų | 57.6 | 61% | 0.607 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 177 | -168.7 | -176.9 | 175.8 | 0 | 0 | 111.6 | M170 K171 D176 G178 S179 | M170-E174 PolarHBondContact O-N 3Å; K171-E174 PolarHBondContact O-N 3.35Å; E174-D176 PolarHBondContact O-N 3.31Å; E174-G178 WeakPolarHBondContact O-CA 3.39Å; E174-G178 PolarHBondContact O-N 2.89Å; E174-S179 WeakPolarHBondContact CA-O 3.43Å |
| 175 | E | 98.4 | Very high | 97.4 | Very high | 106 Ų | 106 | 52.8 Ų | 52.8 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 175.1 | -78.9 | 179.5 | -173.7 | 0 | 0 | 113.8 | R134 K171 Y173 | R134-E175 IonicContact CZ-OE2 2.6Å; R134-E175 IonicContact NE-OE2 3.65Å; R134-E175 IonicContact NH2-OE2 3.57Å; R134-E175 PolarHBondContact NH2-OE2 3.27Å; K171-E175 WeakPolarHBondContact CE-OE1 3.47Å; K171-E175 IonicContact NZ-OE1 3.33Å; K171-E175 WeakPolarHBondContact O-CB 3.37Å; K171-E175 WeakPolarHBondContact O-CG 3.36Å; K171-E175 PolarHBondContact O-N 2.99Å; Y173-E175 VanDerWaalsContact C-N 3.34Å; Y173-E175 PolarHBondContact O-N 3.45Å |
| 176 | D | 97.7 | Very high | 97.6 | Very high | 63 Ų | 63 | 55.1 Ų | 55.1 | 34% | 0.337 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -99.2 | -21.7 | -171.7 | -76.5 | -13.2 | 0 | 0 | 0 | 114.2 | R134 A172 Y173 E174 | R134-D176 IonicContact CZ-OD1 3.23Å; R134-D176 IonicContact CZ-OD2 2.76Å; R134-D176 IonicContact NE-OD2 2.74Å; R134-D176 IonicContact NH1-OD1 2.85Å; R134-D176 PolarHBondContact NH1-OD1 2.92Å; R134-D176 IonicContact NH1-OD2 3.12Å; R134-D176 PolarHBondContact NH1-OD2 3.02Å; R134-D176 IonicContact NH2-OD1 2.75Å; R134-D176 PolarHBondContact NH2-OD1 3.1Å; R134-D176 VanDerWaalsContact NH2-OD1 3.14Å; A172-D176 WeakPolarHBondContact O-CB 3.24Å; A172-D176 PolarHBondContact O-N 3.12Å; Y173-D176 PolarHBondContact O-N 2.82Å; E174-D176 PolarHBondContact O-N 3.31Å |
| 177 | Y | 97.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 59.1 Ų | 59.1 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -120.5 | -18 | -176.5 | -55.5 | -59.6 | 0 | 0 | 0 | 114.5 | A137 K138 H141 Y173 S179 | A137-Y177 HydrophobicContact CB-CE2 4.46Å; K138-Y177 VanDerWaalsContact CA-OH 3.27Å; K138-Y177 WeakPolarHBondContact CA-OH 3.48Å; K138-Y177 WeakPolarHBondContact CB-OH 3.5Å; H141-Y177 HydrophobicContact CB-CD1 4.37Å; H141-Y177 HydrophobicContact CB-CD2 3.9Å; H141-Y177 HydrophobicContact CB-CE1 4.07Å; H141-Y177 HydrophobicContact CB-CE2 3.54Å; H141-Y177 HydrophobicContact CB-CG 4.32Å; H141-Y177 AromaticContact CD2-CD1 3.58Å; H141-Y177 AromaticContact CD2-CE1 3.93Å; H141-Y177 AromaticContact CD2-CG 3.78Å; H141-Y177 AromaticContact CE1-CD1 3.79Å; H141-Y177 AromaticContact CE1-CE1 3.66Å; H141-Y177 AromaticContact CG-CD1 3.7Å; H141-Y177 AromaticContact CG-CE1 3.56Å; H141-Y177 AromaticContact CG-CE2 3.94Å; H141-Y177 AromaticContact CG-CG 3.99Å; H141-Y177 AromaticContact CG-CZ 3.7Å; H141-Y177 AromaticContact ND1-CD1 3.84Å; H141-Y177 AromaticContact ND1-CE1 3.39Å; H141-Y177 WeakPolarHBondContact ND1-CE1 3.39Å; H141-Y177 AromaticContact ND1-CZ 3.76Å; H141-Y177 AromaticContact NE2-CD1 3.68Å; Y173-Y177 AromaticContact CD1-CD2 3.97Å; Y173-Y177 HydrophobicContact CD1-CD2 3.97Å; Y173-Y177 AromaticContact CD2-CD2 3.78Å; Y173-Y177 HydrophobicContact CD2-CD2 3.78Å; Y173-Y177 HydrophobicContact CD2-CE2 4.09Å; Y173-Y177 HydrophobicContact CE1-CD2 4.06Å; Y173-Y177 HydrophobicContact CE1-CG 4.48Å; Y173-Y177 AromaticContact CE2-CD2 3.89Å; Y173-Y177 HydrophobicContact CE2-CD2 3.89Å; Y173-Y177 HydrophobicContact CE2-CE2 4.28Å; Y173-Y177 AromaticContact CG-CD2 3.82Å; Y173-Y177 HydrophobicContact CG-CD2 3.82Å; Y173-Y177 HydrophobicContact CG-CE2 4.46Å; Y173-Y177 WeakPolarHBondContact O-CB 3.14Å; Y173-Y177 WeakPolarHBondContact O-CD2 3.38Å; Y173-Y177 PolarHBondContact O-N 3.42Å; Y177-S179 PolarHBondContact O-N 3.13Å |
| 178 | G | 97.3 | Very high | 97.6 | Very high | 69 Ų | 69 | 56 Ų | 56 | 71% | 0.711 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 73.1 | 12.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E174 | E174-G178 WeakPolarHBondContact O-CA 3.39Å; E174-G178 PolarHBondContact O-N 2.89Å |
| 179 | S | 96.7 | Very high | 97.6 | Very high | 30 Ų | 30 | 53 Ų | 53 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -123.5 | 157.2 | 173.4 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | Y173 E174 Y177 D184 | Y173-S179 WeakPolarHBondContact CD1-O 3.49Å; E174-S179 WeakPolarHBondContact CA-O 3.43Å; Y177-S179 PolarHBondContact O-N 3.13Å; S179-D184 PolarHBondContact OG-OD2 2.77Å |
| 180 | S | 97.9 | Very high | 97.5 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | trans | -75.5 | 130.8 | 170.7 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | E182 E183 D184 | S180-E182 PolarHBondContact O-N 3.27Å; S180-E182 PolarHBondContact OG-N 2.62Å; S180-E183 PolarHBondContact O-N 3.41Å; S180-E183 VanDerWaalsContact O-N 3.13Å; S180-D184 PolarHBondContact O-N 3.22Å | ||
| 181 | L | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57 | -31 | 172.4 | 174.3 | 61.7 | 0 | 0 | 0 | 112.3 | L140 M144 I169 M170 Y173 I185 L201 | L140-L181 HydrophobicContact CB-CD1 4.11Å; L140-L181 HydrophobicContact CD1-CD1 3.92Å; L140-L181 HydrophobicContact CD1-CD2 3.72Å; L140-L181 HydrophobicContact CG-CD1 4.46Å; M144-L181 HydrophobicContact CE-CD1 3.92Å; I169-L181 HydrophobicContact CG2-CD2 4.28Å; M170-L181 HydrophobicContact CG-CD2 3.96Å; Y173-L181 HydrophobicContact CD1-CB 3.87Å; Y173-L181 HydrophobicContact CD2-CB 4.3Å; Y173-L181 HydrophobicContact CD2-CD1 3.83Å; Y173-L181 HydrophobicContact CD2-CG 4.49Å; Y173-L181 HydrophobicContact CE1-CB 4.32Å; Y173-L181 HydrophobicContact CE2-CD1 3.76Å; Y173-L181 HydrophobicContact CG-CB 3.88Å; Y173-L181 HydrophobicContact CG-CD1 4.28Å; L181-I185 HydrophobicContact CD1-CD1 4.06Å; L181-I185 HydrophobicContact CD1-CG1 4.33Å; L181-I185 HydrophobicContact CG-CD1 4.31Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 2.77Å; L181-L201 HydrophobicContact CD2-CD2 3.96Å; L181-L201 HydrophobicContact CG-CD1 4.23Å |
| 182 | E | 97.7 | Very high | 97.3 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -71.8 | -42.6 | 177.2 | -166.5 | -173.3 | 132.1 | 0 | 0 | 111.5 | S180 I185 Q186 V198 L201 Q202 | S180-E182 PolarHBondContact O-N 3.27Å; S180-E182 PolarHBondContact OG-N 2.62Å; E182-I185 PolarHBondContact O-N 3.42Å; E182-Q186 VanDerWaalsContact O-CG 3.32Å; E182-Q186 WeakPolarHBondContact O-CG 3.23Å; E182-Q186 PolarHBondContact O-N 2.97Å; E182-Q186 PolarHBondContact OE1-NE2 3.11Å; E182-V198 HydrophobicContact CG-CG1 4.14Å; E182-V198 HydrophobicContact CG-CG2 4.23Å; E182-L201 HydrophobicContact CB-CD1 4.16Å; E182-L201 HydrophobicContact CG-CD1 4.35Å; E182-Q202 PolarHBondContact OE1-NE2 2.9Å; E182-Q202 PolarHBondContact OE2-NE2 3.26Å |
| 183 | E | 97.4 | Very high | 97.3 | Very high | 122 Ų | 122 | 55.5 Ų | 55.5 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66 | -41.9 | 178.9 | -67 | 173.1 | 170.7 | 0 | 0 | 111.1 | S180 I185 Q186 A187 | S180-E183 PolarHBondContact O-N 3.41Å; S180-E183 VanDerWaalsContact O-N 3.13Å; E183-I185 VanDerWaalsContact C-N 3.35Å; E183-I185 PolarHBondContact O-N 3.19Å; E183-Q186 PolarHBondContact O-N 3.42Å; E183-A187 WeakPolarHBondContact O-CB 3.37Å; E183-A187 PolarHBondContact O-N 2.97Å |
| 184 | D | 97.9 | Very high | 97.2 | Very high | 42 Ų | 42 | 58 Ų | 58 | 23% | 0.225 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 177 | -74.3 | -8 | 0 | 0 | 0 | 111.7 | M144 Y173 S179 S180 A187 D188 | M144-D184 HydrophobicContact CE-CB 3.84Å; M144-D184 HydrophobicContact SD-CB 4.24Å; Y173-D184 WeakPolarHBondContact CE1-OD2 3.33Å; Y173-D184 PolarHBondContact OH-OD2 2.65Å; S179-D184 PolarHBondContact OG-OD2 2.77Å; S180-D184 PolarHBondContact O-N 3.22Å; D184-A187 PolarHBondContact O-N 3.16Å; D184-D188 WeakPolarHBondContact O-CB 3.31Å; D184-D188 PolarHBondContact O-N 2.9Å |
| 185 | I | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 172.7 | -74.1 | 177.1 | 0 | 0 | 0 | 111.4 | M144 I154 L158 L181 E182 E183 A187 T189 L197 V198 L201 | M144-I185 HydrophobicContact CE-CG1 4.36Å; M144-I185 HydrophobicContact SD-CG1 3.64Å; I154-I185 HydrophobicContact CG2-CD1 3.7Å; I154-I185 HydrophobicContact CG2-CG1 4.25Å; L158-I185 HydrophobicContact CD2-CD1 3.76Å; L181-I185 HydrophobicContact CD1-CD1 4.06Å; L181-I185 HydrophobicContact CD1-CG1 4.33Å; L181-I185 HydrophobicContact CG-CD1 4.31Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 2.77Å; E182-I185 PolarHBondContact O-N 3.42Å; E183-I185 VanDerWaalsContact C-N 3.35Å; E183-I185 PolarHBondContact O-N 3.19Å; I185-A187 VanDerWaalsContact C-N 3.26Å; I185-A187 PolarHBondContact O-N 3.06Å; I185-T189 WeakPolarHBondContact O-CB 3.49Å; I185-T189 PolarHBondContact O-N 3.01Å; I185-T189 PolarHBondContact O-OG1 3.05Å; I185-L197 HydrophobicContact CG2-CB 3.88Å; I185-L197 HydrophobicContact CG2-CD1 4.23Å; I185-V198 HydrophobicContact CG2-CG2 4.4Å; I185-L201 HydrophobicContact CD1-CD1 3.94Å |
| 186 | Q | 97.3 | Very high | 97.1 | Very high | 81 Ų | 81 | 52.6 Ų | 52.6 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.8 | -27.4 | 175.7 | -74 | 169.4 | 4.8 | 0 | 0 | 112.7 | E182 E183 V198 | E182-Q186 VanDerWaalsContact O-CG 3.32Å; E182-Q186 WeakPolarHBondContact O-CG 3.23Å; E182-Q186 PolarHBondContact O-N 2.97Å; E182-Q186 PolarHBondContact OE1-NE2 3.11Å; E183-Q186 PolarHBondContact O-N 3.42Å; Q186-V198 HydrophobicContact CG-CG2 3.71Å |
| 187 | A | 96.3 | Very high | 97.1 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 72% | 0.719 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -82.4 | -36 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E183 D184 I185 | E183-A187 WeakPolarHBondContact O-CB 3.37Å; E183-A187 PolarHBondContact O-N 2.97Å; D184-A187 PolarHBondContact O-N 3.16Å; I185-A187 VanDerWaalsContact C-N 3.26Å; I185-A187 PolarHBondContact O-N 3.06Å |
| 188 | D | 95.6 | Very high | 97 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -99.6 | -10.9 | -172.8 | -158 | 56.2 | 0 | 0 | 0 | 114 | M144 T149 D184 | M144-D188 WeakPolarHBondContact CA-OD2 3.2Å; M144-D188 HydrophobicContact CB-CB 4.25Å; M144-D188 WeakPolarHBondContact CB-OD2 3.35Å; M144-D188 HydrophobicContact CG-CB 4.25Å; M144-D188 HydrophobicContact SD-CB 4.45Å; T149-D188 VanDerWaalsContact CB-OD2 3.25Å; T149-D188 WeakPolarHBondContact CB-OD2 3.46Å; T149-D188 WeakPolarHBondContact CG2-OD2 3.23Å; T149-D188 PolarHBondContact OG1-O 3.42Å; T149-D188 VanDerWaalsContact OG1-O 3.1Å; T149-D188 PolarHBondContact OG1-OD2 2.89Å; D184-D188 WeakPolarHBondContact O-CB 3.31Å; D184-D188 PolarHBondContact O-N 2.9Å |
| 189 | T | 96.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | trans | -121.5 | 168.2 | 174.2 | 70.3 | 0 | 0 | 0 | 0 | 111.7 | T149 I185 L193 E194 L197 | T149-T189 HydrophobicContact CG2-CG2 4.27Å; I185-T189 WeakPolarHBondContact O-CB 3.49Å; I185-T189 PolarHBondContact O-N 3.01Å; I185-T189 PolarHBondContact O-OG1 3.05Å; T189-L193 HydrophobicContact CG2-CD2 4.41Å; T189-E194 VanDerWaalsContact OG1-CA 3.29Å; T189-E194 WeakPolarHBondContact OG1-CA 3.37Å; T189-E194 WeakPolarHBondContact OG1-CB 3.39Å; T189-L197 HydrophobicContact CG2-CD1 4.09Å | ||
| 190 | S | 95.4 | Very high | 96.8 | Very high | 93 Ų | 93 | 44.2 Ų | 44.2 | 65% | 0.65 | 25% | 0.246 | S | C | * | . | trans | -148.9 | 164.6 | 177.4 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | E194 | S190-E194 WeakPolarHBondContact CA-OE2 3.48Å; S190-E194 PolarHBondContact O-N 3.02Å | ||
| 191 | G | 96.6 | Very high | 96.6 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 40% | 0.402 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | 71.2 | -137 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E194 R195 | G191-E194 PolarHBondContact N-OE2 3.2Å; G191-R195 WeakPolarHBondContact O-CG 3.43Å; G191-R195 PolarHBondContact O-N 3.1Å |
| 192 | Y | 96.6 | Very high | 96.1 | Very high | 80 Ų | 80 | 49 Ų | 49 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -76.6 | -23.1 | -178.9 | -69.8 | -55 | 0 | 0 | 0 | 114.1 | R195 I196 E236 M237 I240 L278 | Y192-R195 PolarHBondContact O-N 3.39Å; Y192-I196 PolarHBondContact O-N 3.43Å; Y192-E236 HydrophobicContact CD1-CB 4.07Å; Y192-E236 HydrophobicContact CD2-CB 3.91Å; Y192-E236 HydrophobicContact CD2-CG 3.89Å; Y192-E236 HydrophobicContact CE1-CB 4.08Å; Y192-E236 HydrophobicContact CE2-CB 3.88Å; Y192-E236 HydrophobicContact CE2-CG 3.77Å; Y192-E236 WeakPolarHBondContact CE2-OE1 3.27Å; Y192-E236 WeakPolarHBondContact CE2-OE2 3.32Å; Y192-E236 HydrophobicContact CG-CB 3.98Å; Y192-E236 HydrophobicContact CG-CG 4.44Å; Y192-E236 PolarHBondContact OH-OE2 3.43Å; Y192-M237 HydrophobicContact CD1-SD 3.97Å; Y192-M237 HydrophobicContact CE1-CG 3.82Å; Y192-M237 HydrophobicContact CE1-SD 3.74Å; Y192-I240 HydrophobicContact CD1-CD1 4.03Å; Y192-I240 HydrophobicContact CG-CD1 4.48Å; Y192-L278 HydrophobicContact CD2-CD2 4.36Å; Y192-L278 HydrophobicContact CG-CD2 4.35Å |
| 193 | L | 97.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -49 | 173.6 | 179.3 | 65.3 | 0 | 0 | 0 | 110.6 | E151 I155 T189 R195 I196 L197 A281 | E151-L193 HydrophobicContact CB-CD2 4.09Å; E151-L193 VanDerWaalsContact CD-CD2 3.41Å; E151-L193 HydrophobicContact CG-CD2 3.77Å; E151-L193 WeakPolarHBondContact OE1-CD2 3.19Å; I155-L193 HydrophobicContact CD1-CD1 4Å; I155-L193 HydrophobicContact CG1-CD1 4.15Å; T189-L193 HydrophobicContact CG2-CD2 4.41Å; L193-R195 VanDerWaalsContact C-N 3.3Å; L193-R195 PolarHBondContact O-N 3.21Å; L193-I196 HydrophobicContact CD1-CG2 4.25Å; L193-I196 VanDerWaalsContact O-CG2 3.29Å; L193-I196 WeakPolarHBondContact O-CG2 3.38Å; L193-I196 PolarHBondContact O-N 3.15Å; L193-L197 HydrophobicContact CD1-CD1 3.9Å; L193-L197 HydrophobicContact CD1-CD2 4.47Å; L193-L197 HydrophobicContact CD1-CG 4.04Å; L193-L197 HydrophobicContact CD2-CD1 4.41Å; L193-L197 HydrophobicContact CG-CD1 3.81Å; L193-L197 HydrophobicContact CG-CG 4.32Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.32Å; L193-L197 PolarHBondContact O-N 3.14Å; L193-A281 HydrophobicContact CD1-CB 4.17Å |
| 194 | E | 97.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 44.4 Ų | 44.4 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -49.9 | -51.6 | 172.6 | -179.9 | -148 | 133.1 | 0 | 0 | 111 | T189 S190 G191 I196 L197 V198 | T189-E194 VanDerWaalsContact OG1-CA 3.29Å; T189-E194 WeakPolarHBondContact OG1-CA 3.37Å; T189-E194 WeakPolarHBondContact OG1-CB 3.39Å; S190-E194 WeakPolarHBondContact CA-OE2 3.48Å; S190-E194 PolarHBondContact O-N 3.02Å; G191-E194 PolarHBondContact N-OE2 3.2Å; E194-I196 PolarHBondContact O-N 3.43Å; E194-L197 PolarHBondContact O-N 2.86Å; E194-V198 WeakPolarHBondContact O-CB 3.37Å; E194-V198 WeakPolarHBondContact O-CG2 3.48Å; E194-V198 PolarHBondContact O-N 3.35Å |
| 195 | R | 96.8 | Very high | 91.8 | Very high | 121 Ų | 121 | 43.3 Ų | 43.3 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -41.9 | -179.1 | -67.7 | -179.8 | -171.3 | -176.4 | 3.2 | 113.7 | G191 Y192 L193 C199 M237 I240 | G191-R195 WeakPolarHBondContact O-CG 3.43Å; G191-R195 PolarHBondContact O-N 3.1Å; Y192-R195 PolarHBondContact O-N 3.39Å; L193-R195 VanDerWaalsContact C-N 3.3Å; L193-R195 PolarHBondContact O-N 3.21Å; R195-C199 WeakPolarHBondContact O-CB 3.33Å; R195-C199 PolarHBondContact O-N 3.35Å; R195-M237 WeakPolarHBondContact CD-SD 3.46Å; R195-M237 PolarHBondContact NH1-SD 2.92Å; R195-I240 HydrophobicContact CB-CD1 4.24Å |
| 196 | I | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.4 | -37.7 | 178.5 | -161 | 174.1 | 0 | 0 | 0 | 111.5 | Y192 L193 E194 C199 L200 I240 C244 L278 A281 M282 | Y192-I196 PolarHBondContact O-N 3.43Å; L193-I196 HydrophobicContact CD1-CG2 4.25Å; L193-I196 VanDerWaalsContact O-CG2 3.29Å; L193-I196 WeakPolarHBondContact O-CG2 3.38Å; L193-I196 PolarHBondContact O-N 3.15Å; E194-I196 PolarHBondContact O-N 3.43Å; I196-C199 PolarHBondContact O-N 2.91Å; I196-L200 VanDerWaalsContact O-CG 3.3Å; I196-L200 WeakPolarHBondContact O-CG 3.43Å; I196-L200 PolarHBondContact O-N 3.35Å; I196-I240 HydrophobicContact CB-CD1 4.16Å; I196-I240 HydrophobicContact CB-CG1 3.94Å; I196-I240 HydrophobicContact CB-CG2 4.2Å; I196-I240 HydrophobicContact CD1-CG1 4.24Å; I196-I240 HydrophobicContact CG1-CG1 4.11Å; I196-I240 HydrophobicContact CG1-CG2 4.23Å; I196-C244 VanDerWaalsContact CG1-SG 3.57Å; I196-L278 HydrophobicContact CG2-CD1 4.23Å; I196-A281 HydrophobicContact CD1-CB 4.11Å; I196-A281 HydrophobicContact CG2-CB 3.76Å; I196-M282 HydrophobicContact CD1-CG 3.85Å |
| 197 | L | 97.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.3 | -46.4 | 178.5 | -64.2 | 175.7 | 0 | 0 | 0 | 111.8 | I154 I155 L158 I185 T189 L193 E194 C199 L200 L201 | I154-L197 HydrophobicContact CG2-CD1 3.93Å; I154-L197 HydrophobicContact CG2-CD2 4.16Å; I155-L197 HydrophobicContact CG1-CD2 4.01Å; L158-L197 HydrophobicContact CD2-CB 3.93Å; L158-L197 HydrophobicContact CD2-CD2 3.99Å; L158-L197 WeakPolarHBondContact CD2-O 3.49Å; I185-L197 HydrophobicContact CG2-CB 3.88Å; I185-L197 HydrophobicContact CG2-CD1 4.23Å; T189-L197 HydrophobicContact CG2-CD1 4.09Å; L193-L197 HydrophobicContact CD1-CD1 3.9Å; L193-L197 HydrophobicContact CD1-CD2 4.47Å; L193-L197 HydrophobicContact CD1-CG 4.04Å; L193-L197 HydrophobicContact CD2-CD1 4.41Å; L193-L197 HydrophobicContact CG-CD1 3.81Å; L193-L197 HydrophobicContact CG-CG 4.32Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.32Å; L193-L197 PolarHBondContact O-N 3.14Å; E194-L197 PolarHBondContact O-N 2.86Å; L197-C199 VanDerWaalsContact C-N 3.31Å; L197-C199 PolarHBondContact O-N 3.28Å; L197-L200 PolarHBondContact O-N 3.25Å; L197-L201 PolarHBondContact O-N 3.01Å; L197-L201 VanDerWaalsContact O-N 3.1Å |
| 198 | V | 96.5 | Very high | 86.6 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 173.5 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | E182 I185 Q186 E194 L200 L201 Q202 | E182-V198 HydrophobicContact CG-CG1 4.14Å; E182-V198 HydrophobicContact CG-CG2 4.23Å; I185-V198 HydrophobicContact CG2-CG2 4.4Å; Q186-V198 HydrophobicContact CG-CG2 3.71Å; E194-V198 WeakPolarHBondContact O-CB 3.37Å; E194-V198 WeakPolarHBondContact O-CG2 3.48Å; E194-V198 PolarHBondContact O-N 3.35Å; V198-L200 VanDerWaalsContact C-N 3.32Å; V198-L200 PolarHBondContact O-N 3.49Å; V198-L201 PolarHBondContact O-N 2.95Å; V198-Q202 HydrophobicContact CG1-CG 4.4Å; V198-Q202 WeakPolarHBondContact O-CG 3.35Å; V198-Q202 PolarHBondContact O-N 3.42Å |
| 199 | C | 94.8 | Very high | 85.1 | Confident | 28 Ų | 28 | 47 Ų | 47 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -31.5 | 178.2 | -160.8 | 0 | 0 | 0 | 0 | 113 | R195 I196 L197 G203 I240 C244 | R195-C199 WeakPolarHBondContact O-CB 3.33Å; R195-C199 PolarHBondContact O-N 3.35Å; I196-C199 PolarHBondContact O-N 2.91Å; L197-C199 VanDerWaalsContact C-N 3.31Å; L197-C199 PolarHBondContact O-N 3.28Å; C199-G203 VanDerWaalsContact O-CA 3.23Å; C199-G203 WeakPolarHBondContact O-CA 3.27Å; C199-G203 PolarHBondContact O-N 3.03Å; C199-I240 HydrophobicContact CB-CG2 4.18Å; C199-C244 HydrophobicContact CB-CB 3.92Å; C199-C244 WeakPolarHBondContact SG-CB 3.4Å |
| 200 | L | 94.4 | Very high | 83.5 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.7 | -34.3 | 172.7 | -73.6 | 169.5 | 0 | 0 | 0 | 113 | L158 A159 L166 I196 L197 V198 C244 V285 | L158-L200 HydrophobicContact CB-CB 4.19Å; L158-L200 HydrophobicContact CB-CD1 4.28Å; A159-L200 HydrophobicContact CB-CD1 4.17Å; L166-L200 WeakPolarHBondContact CD1-O 3.35Å; I196-L200 VanDerWaalsContact O-CG 3.3Å; I196-L200 WeakPolarHBondContact O-CG 3.43Å; I196-L200 PolarHBondContact O-N 3.35Å; L197-L200 PolarHBondContact O-N 3.25Å; V198-L200 VanDerWaalsContact C-N 3.32Å; V198-L200 PolarHBondContact O-N 3.49Å; L200-C244 HydrophobicContact CD2-CB 4.33Å; L200-V285 HydrophobicContact CD1-CG2 3.95Å; L200-V285 HydrophobicContact CD2-CG2 3.94Å |
| 201 | L | 92.6 | Very high | 82.9 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.4 | -46.2 | 173.7 | -73.6 | 178.5 | 0 | 0 | 0 | 112.5 | L158 L166 M170 L181 E182 I185 L197 V198 | L158-L201 HydrophobicContact CD1-CD2 4.19Å; L158-L201 HydrophobicContact CD2-CD1 4.36Å; L158-L201 HydrophobicContact CD2-CD2 4.01Å; L158-L201 HydrophobicContact CD2-CG 3.77Å; L158-L201 HydrophobicContact CG-CD2 3.85Å; L158-L201 HydrophobicContact CG-CG 4.15Å; L166-L201 HydrophobicContact CD2-CD2 4.45Å; M170-L201 HydrophobicContact CG-CD2 4.24Å; M170-L201 HydrophobicContact SD-CD2 4.24Å; L181-L201 HydrophobicContact CD2-CD2 3.96Å; L181-L201 HydrophobicContact CG-CD1 4.23Å; E182-L201 HydrophobicContact CB-CD1 4.16Å; E182-L201 HydrophobicContact CG-CD1 4.35Å; I185-L201 HydrophobicContact CD1-CD1 3.94Å; L197-L201 PolarHBondContact O-N 3.01Å; L197-L201 VanDerWaalsContact O-N 3.1Å; V198-L201 PolarHBondContact O-N 2.95Å |
| 202 | Q | 87.4 | Confident | 82.5 | Confident | 127 Ų | 127 | 55.1 Ų | 55.1 | 59% | 0.593 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -80 | -17.8 | -177.6 | -64.1 | -179.3 | -9.4 | 0 | 0 | 113.3 | E182 V198 | E182-Q202 PolarHBondContact OE1-NE2 2.9Å; E182-Q202 PolarHBondContact OE2-NE2 3.26Å; V198-Q202 HydrophobicContact CG1-CG 4.4Å; V198-Q202 WeakPolarHBondContact O-CG 3.35Å; V198-Q202 PolarHBondContact O-N 3.42Å |
| 203 | G | 70.3 | Confident | 82.3 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | trans | -67 | 150.3 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | C199 | C199-G203 VanDerWaalsContact O-CA 3.23Å; C199-G203 WeakPolarHBondContact O-CA 3.27Å; C199-G203 PolarHBondContact O-N 3.03Å | ||
| 204 | S | 65.5 | Low | 82.2 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | trans | -92.9 | 15.9 | 176.7 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | D206 D207 | S204-D206 PolarHBondContact O-N 2.87Å; S204-D207 WeakPolarHBondContact CB-OD2 3.49Å; S204-D207 PolarHBondContact O-N 3.2Å | ||
| 205 | R | 67.6 | Low | 82.1 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -26.1 | -169.4 | -163.9 | -163.9 | 59.1 | -151.5 | -17.2 | 115.7 | A159 R161 R246 S247 | A159-R205 PolarHBondContact O-NH1 3.08Å; R161-R205 PolarHBondContact O-NH2 3.2Å; R205-R246 VanDerWaalsContact CG-O 3.24Å; R205-R246 WeakPolarHBondContact CG-O 3.4Å; R205-S247 VanDerWaalsContact O-CA 3.3Å; R205-S247 WeakPolarHBondContact O-CA 3.37Å |
| 206 | D | 61.9 | Low | 82.1 | Confident | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 9.5 | -177.1 | -53.9 | -66.9 | 0 | 0 | 0 | 114.3 | T162 K163 S204 V208 | T162-D206 WeakPolarHBondContact CA-OD2 3.44Å; K163-D206 HydrophobicContact CB-CB 4.07Å; K163-D206 PolarHBondContact N-OD2 2.97Å; S204-D206 PolarHBondContact O-N 2.87Å; D206-V208 PolarHBondContact O-N 3.47Å |
| 207 | D | 61.8 | Low | 82.1 | Confident | 91 Ų | 91 | 56 Ų | 56 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | trans | -75.1 | 80.4 | 168.1 | -63.7 | -29.9 | 0 | 0 | 0 | 108.9 | K163 S204 S209 | K163-D207 IonicContact NZ-OD1 3.75Å; K163-D207 PolarHBondContact NZ-OD1 2.9Å; K163-D207 IonicContact NZ-OD2 2.74Å; K163-D207 PolarHBondContact NZ-OD2 3.23Å; S204-D207 WeakPolarHBondContact CB-OD2 3.49Å; S204-D207 PolarHBondContact O-N 3.2Å; D207-S209 VanDerWaalsContact C-N 3.34Å; D207-S209 PolarHBondContact O-N 2.86Å | ||
| 208 | V | 59.5 | Low | 82.1 | Confident | 99 Ų | 99 | 59.1 Ų | 59.1 | 60% | 0.6 | 35% | 0.345 | S | S | * | . | trans | -69.8 | 86.2 | -175.4 | -173 | 0 | 0 | 0 | 0 | 111.2 | D206 S210 T249 | D206-V208 PolarHBondContact O-N 3.47Å; V208-S210 PolarHBondContact O-N 2.52Å; V208-T249 HydrophobicContact CG1-CG2 4.38Å | ||
| 209 | S | 63 | Low | 82.2 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | trans | -60.3 | 121.9 | 147.9 | 176.4 | 0 | 0 | 0 | 0 | 108.1 | D207 F211 T249 | D207-S209 VanDerWaalsContact C-N 3.34Å; D207-S209 PolarHBondContact O-N 2.86Å; S209-F211 PolarHBondContact O-N 3.47Å; S209-F211 PolarHBondContact OG-N 3.29Å; S209-F211 VanDerWaalsContact OG-N 3.13Å; S209-F211 PolarHBondContact OG-O 3.4Å; S209-T249 PolarHBondContact O-OG1 3.39Å | ||
| 210 | S | 63.1 | Low | 82.3 | Confident | 123 Ų | 123 | 61.6 Ų | 61.6 | 86% | 0.86 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -69.6 | -13.1 | 169.3 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | V208 | V208-S210 PolarHBondContact O-N 2.52Š|
| 211 | F | 81.6 | Confident | 82.5 | Confident | 151 Ų | 151 | 61.1 Ų | 61.1 | 66% | 0.662 | 35% | 0.351 | S | S | * | . | trans | -92.2 | 119.3 | 174 | -167.3 | -91.2 | 0 | 0 | 0 | 110.1 | S209 | S209-F211 PolarHBondContact O-N 3.47Å; S209-F211 PolarHBondContact OG-N 3.29Å; S209-F211 VanDerWaalsContact OG-N 3.13Å; S209-F211 PolarHBondContact OG-O 3.4Å | ||
| 212 | V | 88.8 | Confident | 82.7 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 24% | 0.242 | 37% | 0.366 | C | S | . | . | trans | -98.1 | 126.1 | 169.5 | 176.5 | 0 | 0 | 0 | 0 | 107.7 | P214 A217 H250 R253 | V212-P214 WeakPolarHBondContact O-CD 3.44Å; V212-A217 HydrophobicContact CG1-CB 4.42Å; V212-H250 HydrophobicContact CG1-CB 4.48Å; V212-R253 HydrophobicContact CG1-CB 3.84Å; V212-R253 HydrophobicContact CG1-CG 3.96Å | ||
| 213 | D | 92.3 | Very high | 83.1 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | trans | -78.5 | 113.1 | 173.3 | -178.4 | -28.6 | 0 | 0 | 0 | 109.2 | A215 L216 A217 | D213-A215 VanDerWaalsContact C-N 3.32Å; D213-A215 PolarHBondContact O-N 3.45Å; D213-A215 WeakPolarHBondContact OD1-CA 3.48Å; D213-A215 WeakPolarHBondContact OD1-CB 3.49Å; D213-A215 PolarHBondContact OD1-N 3.01Å; D213-L216 HydrophobicContact CB-CB 3.92Å; D213-L216 PolarHBondContact OD1-N 3.23Å; D213-A217 WeakPolarHBondContact O-CB 3.25Å; D213-A217 PolarHBondContact O-N 2.87Å | ||
| 214 | P | 95.3 | Very high | 84.4 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.5 | -25.7 | -176.4 | 30.9 | -35.7 | 0 | 0 | 0 | 113 | V212 L218 | V212-P214 WeakPolarHBondContact O-CD 3.44Å; P214-L218 WeakPolarHBondContact O-CB 3.39Å; P214-L218 PolarHBondContact O-N 2.97Å; P214-L218 VanDerWaalsContact O-N 3.12Å |
| 215 | A | 96.9 | Very high | 85.8 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 56% | 0.562 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -75.8 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | D213 L218 Q219 | D213-A215 VanDerWaalsContact C-N 3.32Å; D213-A215 PolarHBondContact O-N 3.45Å; D213-A215 WeakPolarHBondContact OD1-CA 3.48Å; D213-A215 WeakPolarHBondContact OD1-CB 3.49Å; D213-A215 PolarHBondContact OD1-N 3.01Å; A215-L218 PolarHBondContact O-N 2.69Å; A215-Q219 WeakPolarHBondContact O-CB 3.44Å; A215-Q219 PolarHBondContact O-N 2.99Å |
| 216 | L | 96.1 | Very high | 87 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 173.1 | -178.3 | 62.3 | 0 | 0 | 0 | 111.8 | D213 L218 Q219 D220 | D213-L216 HydrophobicContact CB-CB 3.92Å; D213-L216 PolarHBondContact OD1-N 3.23Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 2.72Å; L216-Q219 PolarHBondContact O-N 2.71Å; L216-D220 WeakPolarHBondContact O-CB 3.44Å; L216-D220 PolarHBondContact O-N 2.75Å |
| 217 | A | 96.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | V212 D213 A221 H250 R253 V254 | V212-A217 HydrophobicContact CG1-CB 4.42Å; D213-A217 WeakPolarHBondContact O-CB 3.25Å; D213-A217 PolarHBondContact O-N 2.87Å; A217-A221 WeakPolarHBondContact O-CB 3.45Å; A217-A221 PolarHBondContact O-N 2.91Å; A217-A221 VanDerWaalsContact O-N 3.07Å; A217-H250 PolarHBondContact N-CE1 2.76Å; A217-R253 HydrophobicContact CB-CB 4.14Å; A217-R253 HydrophobicContact CB-CG 3.79Å; A217-V254 HydrophobicContact CB-CG2 4.08Å |
| 218 | L | 97.9 | Very high | 89.6 | Confident | 65 Ų | 65 | 55 Ų | 55 | 34% | 0.34 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 173.1 | -177.7 | 63.5 | 0 | 0 | 0 | 111.9 | P214 A215 L216 A221 Q222 E257 I261 | P214-L218 WeakPolarHBondContact O-CB 3.39Å; P214-L218 PolarHBondContact O-N 2.97Å; P214-L218 VanDerWaalsContact O-N 3.12Å; A215-L218 PolarHBondContact O-N 2.69Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 2.72Å; L218-A221 PolarHBondContact O-N 3.35Å; L218-Q222 WeakPolarHBondContact O-CG 3.3Å; L218-Q222 PolarHBondContact O-N 3.31Å; L218-E257 HydrophobicContact CD1-CB 4.34Å; L218-E257 HydrophobicContact CD1-CG 4.49Å; L218-I261 HydrophobicContact CD1-CD1 3.95Å |
| 219 | Q | 98.1 | Very high | 90.5 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 176.4 | -174.3 | 62.4 | 60.4 | 0 | 0 | 111.8 | A215 L216 A221 Q222 D223 | A215-Q219 WeakPolarHBondContact O-CB 3.44Å; A215-Q219 PolarHBondContact O-N 2.99Å; L216-Q219 PolarHBondContact O-N 2.71Å; Q219-A221 VanDerWaalsContact C-N 3.27Å; Q219-A221 PolarHBondContact O-N 3.12Å; Q219-Q222 PolarHBondContact O-N 3.32Å; Q219-Q222 VanDerWaalsContact O-N 3.14Å; Q219-D223 PolarHBondContact NE2-OD1 3.22Å; Q219-D223 WeakPolarHBondContact O-CB 3.42Å; Q219-D223 PolarHBondContact O-N 2.85Å |
| 220 | D | 97.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 176.7 | -74.1 | -32.2 | 0 | 0 | 0 | 111.1 | L216 D223 L224 I242 R246 H250 V254 | L216-D220 WeakPolarHBondContact O-CB 3.44Å; L216-D220 PolarHBondContact O-N 2.75Å; D220-D223 PolarHBondContact O-N 3Å; D220-L224 WeakPolarHBondContact O-CG 3.03Å; D220-L224 PolarHBondContact O-N 3.36Å; D220-I242 HydrophobicContact CB-CD1 4.12Å; D220-I242 HydrophobicContact CB-CG2 4.21Å; D220-R246 IonicContact OD1-CZ 2.74Å; D220-R246 IonicContact OD1-NE 3.7Å; D220-R246 PolarHBondContact OD1-NE 2.91Å; D220-R246 IonicContact OD1-NH2 2.77Å; D220-R246 PolarHBondContact OD1-NH2 3.04Å; D220-R246 IonicContact OD2-CZ 3.7Å; D220-R246 IonicContact OD2-NE 2.76Å; D220-R246 PolarHBondContact OD2-NE 2.85Å; D220-R246 IonicContact OD2-NH2 3.9Å; D220-H250 IonicContact OD2-CD2 2.72Å; D220-H250 IonicContact OD2-CE1 2.62Å; D220-H250 IonicContact OD2-NE2 2.72Å; D220-H250 PolarHBondContact OD2-NE2 3.12Å; D220-V254 HydrophobicContact CB-CG1 4.12Å; D220-V254 HydrophobicContact CB-CG2 3.74Å |
| 221 | A | 97.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A217 L218 Q219 Y225 V254 E257 I261 | A217-A221 WeakPolarHBondContact O-CB 3.45Å; A217-A221 PolarHBondContact O-N 2.91Å; A217-A221 VanDerWaalsContact O-N 3.07Å; L218-A221 PolarHBondContact O-N 3.35Å; Q219-A221 VanDerWaalsContact C-N 3.27Å; Q219-A221 PolarHBondContact O-N 3.12Å; A221-Y225 WeakPolarHBondContact O-CB 3.41Å; A221-Y225 PolarHBondContact O-N 3.19Å; A221-V254 HydrophobicContact CB-CG1 4.23Å; A221-E257 HydrophobicContact CB-CB 3.8Å; A221-I261 HydrophobicContact CB-CD1 4.14Å |
| 222 | Q | 97 | Very high | 91.2 | Very high | 83 Ų | 83 | 61 Ų | 61 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | 174.2 | -72.9 | 177.3 | 18.9 | 0 | 0 | 112.4 | L218 Q219 Y225 A226 I261 | L218-Q222 WeakPolarHBondContact O-CG 3.3Å; L218-Q222 PolarHBondContact O-N 3.31Å; Q219-Q222 PolarHBondContact O-N 3.32Å; Q219-Q222 VanDerWaalsContact O-N 3.14Å; Q222-Y225 PolarHBondContact O-N 2.71Å; Q222-A226 WeakPolarHBondContact O-CB 3.38Å; Q222-A226 PolarHBondContact O-N 3.45Å; Q222-I261 HydrophobicContact CG-CD1 3.8Å |
| 223 | D | 96.7 | Very high | 90.4 | Very high | 42 Ų | 42 | 61.2 Ų | 61.2 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.9 | -92.4 | 43.5 | 0 | 0 | 0 | 111 | Q219 D220 A226 A227 K238 I242 | Q219-D223 PolarHBondContact NE2-OD1 3.22Å; Q219-D223 WeakPolarHBondContact O-CB 3.42Å; Q219-D223 PolarHBondContact O-N 2.85Å; D220-D223 PolarHBondContact O-N 3Å; D223-A226 PolarHBondContact O-N 3.47Å; D223-A227 WeakPolarHBondContact O-CB 3.34Å; D223-A227 PolarHBondContact O-N 3.06Å; D223-K238 HydrophobicContact CB-CD 4.06Å; D223-K238 HydrophobicContact CB-CG 4.26Å; D223-K238 IonicContact OD2-NZ 3.58Å; D223-K238 PolarHBondContact OD2-NZ 2.93Å; D223-I242 HydrophobicContact CB-CD1 4.1Å |
| 224 | L | 95.9 | Very high | 90 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 174 | -71.5 | 174 | 0 | 0 | 0 | 112 | D220 A226 A227 G228 F239 I242 V254 Y258 I266 | D220-L224 WeakPolarHBondContact O-CG 3.03Å; D220-L224 PolarHBondContact O-N 3.36Å; L224-A226 VanDerWaalsContact C-N 3.33Å; L224-A226 PolarHBondContact O-N 3.31Å; L224-A227 PolarHBondContact O-N 2.89Å; L224-G228 PolarHBondContact O-N 2.99Å; L224-G228 VanDerWaalsContact O-N 3.16Å; L224-F239 HydrophobicContact CD2-CB 4.35Å; L224-F239 HydrophobicContact CD2-CD1 3.74Å; L224-F239 HydrophobicContact CD2-CD2 4.06Å; L224-F239 HydrophobicContact CD2-CE1 3.98Å; L224-F239 HydrophobicContact CD2-CE2 4.28Å; L224-F239 HydrophobicContact CD2-CG 3.78Å; L224-F239 HydrophobicContact CD2-CZ 4.24Å; L224-I242 HydrophobicContact CD1-CG2 4.18Å; L224-I242 HydrophobicContact CD2-CB 4.35Å; L224-I242 HydrophobicContact CD2-CD1 3.92Å; L224-I242 HydrophobicContact CG-CD1 3.81Å; L224-I242 HydrophobicContact CG-CG2 4.47Å; L224-V254 HydrophobicContact CD1-CG1 3.69Å; L224-Y258 HydrophobicContact CB-CD2 3.78Å; L224-Y258 HydrophobicContact CB-CE2 3.8Å; L224-I266 HydrophobicContact CD1-CD1 4.17Å |
| 225 | Y | 94.9 | Very high | 89.8 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 24% | 0.239 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 177.8 | 178.2 | -114.8 | 0 | 0 | 0 | 111.9 | A221 Q222 E229 K230 I261 A262 | A221-Y225 WeakPolarHBondContact O-CB 3.41Å; A221-Y225 PolarHBondContact O-N 3.19Å; Q222-Y225 PolarHBondContact O-N 2.71Å; Y225-E229 HydrophobicContact CD2-CB 3.73Å; Y225-E229 HydrophobicContact CD2-CG 3.73Å; Y225-E229 HydrophobicContact CE2-CB 3.43Å; Y225-E229 VanDerWaalsContact CE2-CB 3.43Å; Y225-E229 HydrophobicContact CE2-CG 3.69Å; Y225-E229 PolarHBondContact O-N 2.9Å; Y225-K230 HydrophobicContact CE1-CD 4.41Å; Y225-K230 HydrophobicContact CE1-CG 4.23Å; Y225-I261 HydrophobicContact CD1-CG2 3.55Å; Y225-I261 HydrophobicContact CD2-CG2 4.47Å; Y225-I261 HydrophobicContact CE1-CG2 4.01Å; Y225-I261 HydrophobicContact CG-CG2 3.83Å; Y225-A262 HydrophobicContact CD2-CB 3.66Å; Y225-A262 HydrophobicContact CE2-CB 3.96Å |
| 226 | A | 94.1 | Very high | 89.6 | Confident | 40 Ų | 40 | 57 Ų | 57 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.6 | -31.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q222 D223 L224 K230 | Q222-A226 WeakPolarHBondContact O-CB 3.38Å; Q222-A226 PolarHBondContact O-N 3.45Å; D223-A226 PolarHBondContact O-N 3.47Å; L224-A226 VanDerWaalsContact C-N 3.33Å; L224-A226 PolarHBondContact O-N 3.31Å; A226-K230 HydrophobicContact CB-CD 4.21Å |
| 227 | A | 91.5 | Very high | 89.5 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -76.7 | -21.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D223 L224 I231 T234 D235 K238 F239 | D223-A227 WeakPolarHBondContact O-CB 3.34Å; D223-A227 PolarHBondContact O-N 3.06Å; L224-A227 PolarHBondContact O-N 2.89Å; A227-I231 WeakPolarHBondContact O-CD1 3.33Å; A227-T234 CarbonylContact O-C 3.37Å; A227-T234 WeakPolarHBondContact O-CA 3.22Å; A227-D235 HydrophobicContact CB-CB 3.89Å; A227-D235 PolarHBondContact O-N 2.94Å; A227-K238 HydrophobicContact CB-CB 3.79Å; A227-K238 HydrophobicContact CB-CG 3.92Å; A227-F239 HydrophobicContact CB-CD2 4.07Å; A227-F239 HydrophobicContact CB-CE2 3.81Å |
| 228 | G | 85.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -81.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L224 K230 I231 | L224-G228 PolarHBondContact O-N 2.99Å; L224-G228 VanDerWaalsContact O-N 3.16Å; G228-K230 PolarHBondContact O-N 3.49Å; G228-I231 PolarHBondContact O-N 3.46Å |
| 229 | E | 79.7 | Confident | 89.3 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -11.4 | -163.8 | -54.9 | -72.5 | 152.7 | 0 | 0 | 116 | Y225 K264 S269 | Y225-E229 HydrophobicContact CD2-CB 3.73Å; Y225-E229 HydrophobicContact CD2-CG 3.73Å; Y225-E229 HydrophobicContact CE2-CB 3.43Å; Y225-E229 VanDerWaalsContact CE2-CB 3.43Å; Y225-E229 HydrophobicContact CE2-CG 3.69Å; Y225-E229 PolarHBondContact O-N 2.9Å; E229-K264 WeakPolarHBondContact OE1-CD 3.25Å; E229-K264 IonicContact OE1-NZ 3.19Å; E229-K264 PolarHBondContact OE1-NZ 3.17Å; E229-K264 IonicContact OE2-NZ 2.77Å; E229-S269 PolarHBondContact OE1-OG 2.96Å |
| 230 | K | 74.8 | Confident | 89.1 | Confident | 137 Ų | 137 | 52.5 Ų | 52.5 | 60% | 0.596 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -9.5 | -179.4 | -68.5 | -167.8 | -178.5 | 173.4 | 0 | 115.2 | Y225 A226 G228 | Y225-K230 HydrophobicContact CE1-CD 4.41Å; Y225-K230 HydrophobicContact CE1-CG 4.23Å; A226-K230 HydrophobicContact CB-CD 4.21Å; G228-K230 PolarHBondContact O-N 3.49Å |
| 231 | I | 74.8 | Confident | 88.9 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -123.6 | 171.2 | -176.1 | 48.4 | 157.1 | 0 | 0 | 0 | 111.2 | A227 G228 G233 D235 | A227-I231 WeakPolarHBondContact O-CD1 3.33Å; G228-I231 PolarHBondContact O-N 3.46Å; I231-G233 CarbonylContact C-O 3.6Å; I231-G233 VanDerWaalsContact CD1-O 3.25Å; I231-G233 WeakPolarHBondContact CD1-O 3.22Å; I231-G233 WeakPolarHBondContact CG1-O 3.29Å; I231-D235 HydrophobicContact CD1-CB 4.38Å |
| 232 | R | 71.9 | Confident | 88.7 | Confident | 258 Ų | 258 | 55.4 Ų | 55.4 | 97% | 0.974 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -98.9 | 103.6 | 176.7 | -176.5 | -179.2 | 179.4 | -178.1 | -0.2 | 108.6 | ||
| 233 | G | 72.1 | Confident | 88.6 | Confident | 45 Ų | 45 | 51.5 Ų | 51.5 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 86.5 | 178.6 | -161.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I231 | I231-G233 CarbonylContact C-O 3.6Å; I231-G233 VanDerWaalsContact CD1-O 3.25Å; I231-G233 WeakPolarHBondContact CD1-O 3.22Å; I231-G233 WeakPolarHBondContact CG1-O 3.29Å |
| 234 | T | 84.4 | Confident | 88.3 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 13% | 0.129 | 25% | 0.246 | C | C | . | . | trans | -116.8 | 146.5 | -162.2 | -40.4 | 0 | 0 | 0 | 0 | 110.7 | A227 E236 F239 E273 | A227-T234 CarbonylContact O-C 3.37Å; A227-T234 WeakPolarHBondContact O-CA 3.22Å; T234-E236 HydrophobicContact CG2-CG 4.43Å; T234-E236 VanDerWaalsContact O-CD 3.31Å; T234-E236 PolarHBondContact O-N 3.3Å; T234-F239 HydrophobicContact CG2-CD2 4.14Å; T234-F239 HydrophobicContact CG2-CE2 3.95Å; T234-E273 HydrophobicContact CG2-CB 3.84Å; T234-E273 HydrophobicContact CG2-CG 4.46Å; T234-E273 WeakPolarHBondContact OG1-CB 3.16Å; T234-E273 PolarHBondContact OG1-O 2.7Å | ||
| 235 | D | 90.4 | Very high | 88.1 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | trans | -88.5 | 84.1 | 162.3 | 176.9 | -5.9 | 0 | 0 | 0 | 108.3 | A227 I231 M237 K238 F239 | A227-D235 HydrophobicContact CB-CB 3.89Å; A227-D235 PolarHBondContact O-N 2.94Å; I231-D235 HydrophobicContact CD1-CB 4.38Å; D235-M237 PolarHBondContact O-N 2.97Å; D235-M237 PolarHBondContact OD1-N 2.93Å; D235-K238 HydrophobicContact CB-CB 4.24Å; D235-K238 WeakPolarHBondContact O-CB 3.33Å; D235-K238 PolarHBondContact O-N 3.02Å; D235-K238 VanDerWaalsContact O-N 3.15Å; D235-K238 PolarHBondContact OD1-N 3.48Å; D235-F239 PolarHBondContact O-N 3.42Å | ||
| 236 | E | 92.3 | Very high | 87.9 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 20% | 0.201 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -28.7 | -175.7 | -50.9 | 91.6 | 156.5 | 0 | 0 | 111.7 | Y192 T234 K238 F239 I240 L278 M282 | Y192-E236 HydrophobicContact CD1-CB 4.07Å; Y192-E236 HydrophobicContact CD2-CB 3.91Å; Y192-E236 HydrophobicContact CD2-CG 3.89Å; Y192-E236 HydrophobicContact CE1-CB 4.08Å; Y192-E236 HydrophobicContact CE2-CB 3.88Å; Y192-E236 HydrophobicContact CE2-CG 3.77Å; Y192-E236 WeakPolarHBondContact CE2-OE1 3.27Å; Y192-E236 WeakPolarHBondContact CE2-OE2 3.32Å; Y192-E236 HydrophobicContact CG-CB 3.98Å; Y192-E236 HydrophobicContact CG-CG 4.44Å; Y192-E236 PolarHBondContact OH-OE2 3.43Å; T234-E236 HydrophobicContact CG2-CG 4.43Å; T234-E236 VanDerWaalsContact O-CD 3.31Å; T234-E236 PolarHBondContact O-N 3.3Å; E236-K238 VanDerWaalsContact C-N 3.34Å; E236-K238 PolarHBondContact O-N 3.21Å; E236-F239 PolarHBondContact O-N 3.27Å; E236-I240 VanDerWaalsContact O-CG1 3.24Å; E236-I240 WeakPolarHBondContact O-CG1 3.44Å; E236-I240 PolarHBondContact O-N 2.78Å; E236-L278 HydrophobicContact CB-CD2 4.23Å; E236-L278 HydrophobicContact CG-CD2 4.05Å; E236-M282 HydrophobicContact CB-CE 4.47Å |
| 237 | M | 94.3 | Very high | 87.8 | Confident | 61 Ų | 61 | 50.8 Ų | 50.8 | 30% | 0.3 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.4 | -36 | 176.3 | -73.1 | -53.6 | -54 | 0 | 0 | 112.4 | Y192 R195 D235 I240 T241 | Y192-M237 HydrophobicContact CD1-SD 3.97Å; Y192-M237 HydrophobicContact CE1-CG 3.82Å; Y192-M237 HydrophobicContact CE1-SD 3.74Å; R195-M237 WeakPolarHBondContact CD-SD 3.46Å; R195-M237 PolarHBondContact NH1-SD 2.92Å; D235-M237 PolarHBondContact O-N 2.97Å; D235-M237 PolarHBondContact OD1-N 2.93Å; M237-I240 HydrophobicContact SD-CD1 4.32Å; M237-T241 VanDerWaalsContact O-CB 3.31Å; M237-T241 WeakPolarHBondContact O-CB 3.45Å; M237-T241 PolarHBondContact O-N 3.01Å; M237-T241 PolarHBondContact O-OG1 3.2Å |
| 238 | K | 94.9 | Very high | 87.7 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 30% | 0.296 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.3 | -170 | 67.5 | 65.9 | 153.9 | 0 | 111.4 | D223 A227 D235 E236 T241 I242 | D223-K238 HydrophobicContact CB-CD 4.06Å; D223-K238 HydrophobicContact CB-CG 4.26Å; D223-K238 IonicContact OD2-NZ 3.58Å; D223-K238 PolarHBondContact OD2-NZ 2.93Å; A227-K238 HydrophobicContact CB-CB 3.79Å; A227-K238 HydrophobicContact CB-CG 3.92Å; D235-K238 HydrophobicContact CB-CB 4.24Å; D235-K238 WeakPolarHBondContact O-CB 3.33Å; D235-K238 PolarHBondContact O-N 3.02Å; D235-K238 VanDerWaalsContact O-N 3.15Å; D235-K238 PolarHBondContact OD1-N 3.48Å; E236-K238 VanDerWaalsContact C-N 3.34Å; E236-K238 PolarHBondContact O-N 3.21Å; K238-T241 PolarHBondContact O-N 3.47Å; K238-I242 HydrophobicContact CD-CD1 4.07Å; K238-I242 HydrophobicContact CG-CD1 4.05Å; K238-I242 WeakPolarHBondContact O-CG1 3.29Å; K238-I242 PolarHBondContact O-N 3.48Å; K238-I242 VanDerWaalsContact O-N 3.08Å |
| 239 | F | 95.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -51.9 | 174.5 | -83 | -102 | 0 | 0 | 0 | 111.6 | L224 A227 T234 D235 E236 T241 I242 L243 I266 I270 M282 | L224-F239 HydrophobicContact CD2-CB 4.35Å; L224-F239 HydrophobicContact CD2-CD1 3.74Å; L224-F239 HydrophobicContact CD2-CD2 4.06Å; L224-F239 HydrophobicContact CD2-CE1 3.98Å; L224-F239 HydrophobicContact CD2-CE2 4.28Å; L224-F239 HydrophobicContact CD2-CG 3.78Å; L224-F239 HydrophobicContact CD2-CZ 4.24Å; A227-F239 HydrophobicContact CB-CD2 4.07Å; A227-F239 HydrophobicContact CB-CE2 3.81Å; T234-F239 HydrophobicContact CG2-CD2 4.14Å; T234-F239 HydrophobicContact CG2-CE2 3.95Å; D235-F239 PolarHBondContact O-N 3.42Å; E236-F239 PolarHBondContact O-N 3.27Å; F239-T241 VanDerWaalsContact C-N 3.35Å; F239-T241 PolarHBondContact O-N 3.48Å; F239-I242 PolarHBondContact O-N 3.25Å; F239-L243 VanDerWaalsContact O-CB 3.3Å; F239-L243 WeakPolarHBondContact O-CB 3.13Å; F239-L243 VanDerWaalsContact O-CG 3.27Å; F239-L243 WeakPolarHBondContact O-CG 3.23Å; F239-L243 PolarHBondContact O-N 3.17Å; F239-I266 HydrophobicContact CE1-CD1 3.89Å; F239-I270 HydrophobicContact CD1-CG1 4.31Å; F239-I270 HydrophobicContact CE1-CG1 4.14Å; F239-M282 HydrophobicContact CB-CE 3.52Å; F239-M282 HydrophobicContact CB-SD 3.92Å; F239-M282 HydrophobicContact CD1-SD 4.15Å; F239-M282 HydrophobicContact CG-CE 4.35Å; F239-M282 HydrophobicContact CG-SD 4.3Å |
| 240 | I | 94.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.9 | -49.2 | 178.9 | -69 | 169.4 | 0 | 0 | 0 | 111 | Y192 R195 I196 C199 E236 M237 I242 L243 C244 L278 M282 | Y192-I240 HydrophobicContact CD1-CD1 4.03Å; Y192-I240 HydrophobicContact CG-CD1 4.48Å; R195-I240 HydrophobicContact CB-CD1 4.24Å; I196-I240 HydrophobicContact CB-CD1 4.16Å; I196-I240 HydrophobicContact CB-CG1 3.94Å; I196-I240 HydrophobicContact CB-CG2 4.2Å; I196-I240 HydrophobicContact CD1-CG1 4.24Å; I196-I240 HydrophobicContact CG1-CG1 4.11Å; I196-I240 HydrophobicContact CG1-CG2 4.23Å; C199-I240 HydrophobicContact CB-CG2 4.18Å; E236-I240 VanDerWaalsContact O-CG1 3.24Å; E236-I240 WeakPolarHBondContact O-CG1 3.44Å; E236-I240 PolarHBondContact O-N 2.78Å; M237-I240 HydrophobicContact SD-CD1 4.32Å; I240-I242 PolarHBondContact O-N 3.35Å; I240-L243 PolarHBondContact O-N 3.25Å; I240-C244 VanDerWaalsContact O-CB 3.31Å; I240-C244 WeakPolarHBondContact O-CB 3.31Å; I240-C244 PolarHBondContact O-N 2.6Å; I240-C244 PolarHBondContact O-SG 3.24Å; I240-L278 HydrophobicContact CD1-CD1 4.38Å; I240-M282 HydrophobicContact CG1-CE 3.98Å |
| 241 | T | 93.7 | Very high | 89.6 | Confident | 63 Ų | 63 | 44.9 Ų | 44.9 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.7 | -46.8 | -177.1 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | M237 K238 F239 T245 | M237-T241 VanDerWaalsContact O-CB 3.31Å; M237-T241 WeakPolarHBondContact O-CB 3.45Å; M237-T241 PolarHBondContact O-N 3.01Å; M237-T241 PolarHBondContact O-OG1 3.2Å; K238-T241 PolarHBondContact O-N 3.47Å; F239-T241 VanDerWaalsContact C-N 3.35Å; F239-T241 PolarHBondContact O-N 3.48Å; T241-T245 WeakPolarHBondContact O-CB 3.29Å; T241-T245 VanDerWaalsContact O-CG2 3.3Å; T241-T245 WeakPolarHBondContact O-CG2 3.49Å; T241-T245 PolarHBondContact O-N 2.97Å; T241-T245 PolarHBondContact O-OG1 2.81Å |
| 242 | I | 94.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -50 | -178.6 | -67.7 | 170.8 | 0 | 0 | 0 | 110.2 | D220 D223 L224 K238 F239 I240 C244 R246 L251 | D220-I242 HydrophobicContact CB-CD1 4.12Å; D220-I242 HydrophobicContact CB-CG2 4.21Å; D223-I242 HydrophobicContact CB-CD1 4.1Å; L224-I242 HydrophobicContact CD1-CG2 4.18Å; L224-I242 HydrophobicContact CD2-CB 4.35Å; L224-I242 HydrophobicContact CD2-CD1 3.92Å; L224-I242 HydrophobicContact CG-CD1 3.81Å; L224-I242 HydrophobicContact CG-CG2 4.47Å; K238-I242 HydrophobicContact CD-CD1 4.07Å; K238-I242 HydrophobicContact CG-CD1 4.05Å; K238-I242 WeakPolarHBondContact O-CG1 3.29Å; K238-I242 PolarHBondContact O-N 3.48Å; K238-I242 VanDerWaalsContact O-N 3.08Å; F239-I242 PolarHBondContact O-N 3.25Å; I240-I242 PolarHBondContact O-N 3.35Å; I242-C244 VanDerWaalsContact C-N 3.31Å; I242-C244 PolarHBondContact O-N 2.9Å; I242-R246 HydrophobicContact CG2-CG 4.17Å; I242-R246 WeakPolarHBondContact O-CB 3.36Å; I242-R246 VanDerWaalsContact O-CG 3.28Å; I242-R246 WeakPolarHBondContact O-CG 3.31Å; I242-R246 PolarHBondContact O-N 3.4Å; I242-L251 HydrophobicContact CG2-CD2 3.97Å |
| 243 | L | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -29.7 | -176.1 | -69.6 | 173.6 | 0 | 0 | 0 | 114.2 | F239 I240 L251 F255 M282 V285 V286 | F239-L243 VanDerWaalsContact O-CB 3.3Å; F239-L243 WeakPolarHBondContact O-CB 3.13Å; F239-L243 VanDerWaalsContact O-CG 3.27Å; F239-L243 WeakPolarHBondContact O-CG 3.23Å; F239-L243 PolarHBondContact O-N 3.17Å; I240-L243 PolarHBondContact O-N 3.25Å; L243-L251 HydrophobicContact CD2-CD2 4.4Å; L243-L251 WeakPolarHBondContact O-CD1 3.13Å; L243-F255 HydrophobicContact CD2-CE1 3.89Å; L243-F255 HydrophobicContact CD2-CZ 3.93Å; L243-M282 HydrophobicContact CD1-CB 4.11Å; L243-M282 HydrophobicContact CD1-CG 3.99Å; L243-M282 HydrophobicContact CD1-SD 4.41Å; L243-V285 HydrophobicContact CB-CG1 4.14Å; L243-V286 HydrophobicContact CD2-CG2 4.01Å |
| 244 | C | 91.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -99 | -22.9 | -175.1 | -56.1 | 0 | 0 | 0 | 0 | 114.3 | I196 C199 L200 I240 I242 | I196-C244 VanDerWaalsContact CG1-SG 3.57Å; C199-C244 HydrophobicContact CB-CB 3.92Å; C199-C244 WeakPolarHBondContact SG-CB 3.4Å; L200-C244 HydrophobicContact CD2-CB 4.33Å; I240-C244 VanDerWaalsContact O-CB 3.31Å; I240-C244 WeakPolarHBondContact O-CB 3.31Å; I240-C244 PolarHBondContact O-N 2.6Å; I240-C244 PolarHBondContact O-SG 3.24Å; I242-C244 VanDerWaalsContact C-N 3.31Å; I242-C244 PolarHBondContact O-N 2.9Å |
| 245 | T | 90.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 32.6 Ų | 32.6 | 28% | 0.282 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -102.6 | -24.7 | -174.9 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | T241 | T241-T245 WeakPolarHBondContact O-CB 3.29Å; T241-T245 VanDerWaalsContact O-CG2 3.3Å; T241-T245 WeakPolarHBondContact O-CG2 3.49Å; T241-T245 PolarHBondContact O-N 2.97Å; T241-T245 PolarHBondContact O-OG1 2.81Å |
| 246 | R | 91.9 | Very high | 93.8 | Very high | 63 Ų | 63 | 34.2 Ų | 34.2 | 24% | 0.238 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -79.8 | 153.4 | 179.9 | -62.4 | -60 | -174.8 | -91.5 | -3.9 | 111.5 | R205 D220 I242 H250 L251 | R205-R246 VanDerWaalsContact CG-O 3.24Å; R205-R246 WeakPolarHBondContact CG-O 3.4Å; D220-R246 IonicContact OD1-CZ 2.74Å; D220-R246 IonicContact OD1-NE 3.7Å; D220-R246 PolarHBondContact OD1-NE 2.91Å; D220-R246 IonicContact OD1-NH2 2.77Å; D220-R246 PolarHBondContact OD1-NH2 3.04Å; D220-R246 IonicContact OD2-CZ 3.7Å; D220-R246 IonicContact OD2-NE 2.76Å; D220-R246 PolarHBondContact OD2-NE 2.85Å; D220-R246 IonicContact OD2-NH2 3.9Å; I242-R246 HydrophobicContact CG2-CG 4.17Å; I242-R246 WeakPolarHBondContact O-CB 3.36Å; I242-R246 VanDerWaalsContact O-CG 3.28Å; I242-R246 WeakPolarHBondContact O-CG 3.31Å; I242-R246 PolarHBondContact O-N 3.4Å; R246-H250 HydrophobicContact CB-CB 4.49Å; R246-L251 HydrophobicContact CB-CD1 4.46Å; R246-L251 HydrophobicContact CB-CD2 3.83Å; R246-L251 HydrophobicContact CB-CG 3.79Å; R246-L251 HydrophobicContact CG-CD2 4.37Å |
| 247 | S | 90.6 | Very high | 94.1 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | trans | -69.5 | 153.1 | 175.3 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | R205 T249 H250 L251 | R205-S247 VanDerWaalsContact O-CA 3.3Å; R205-S247 WeakPolarHBondContact O-CA 3.37Å; S247-T249 PolarHBondContact O-N 2.77Å; S247-T249 PolarHBondContact OG-OG1 3.22Å; S247-T249 VanDerWaalsContact OG-OG1 3.05Å; S247-H250 WeakPolarHBondContact O-CB 3.47Å; S247-H250 PolarHBondContact O-N 3.3Å; S247-H250 VanDerWaalsContact OG-CB 3.3Å; S247-H250 WeakPolarHBondContact OG-CB 3.3Å; S247-H250 PolarHBondContact OG-N 2.78Å; S247-L251 PolarHBondContact O-N 3.27Å | ||
| 248 | A | 90 | Very high | 94.3 | Very high | 29 Ų | 29 | 30.4 Ų | 30.4 | 24% | 0.24 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.7 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | H250 L251 L252 T289 | A248-H250 VanDerWaalsContact C-N 3.35Å; A248-H250 PolarHBondContact O-N 2.82Å; A248-L251 PolarHBondContact O-N 3.02Å; A248-L252 WeakPolarHBondContact O-CG 3.27Å; A248-L252 PolarHBondContact O-N 2.71Å; A248-T289 HydrophobicContact CB-CG2 4.13Å |
| 249 | T | 91.2 | Very high | 94.4 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 32% | 0.319 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.4 | -36.4 | 176 | 47.3 | 0 | 0 | 0 | 0 | 113 | V208 S209 S247 | V208-T249 HydrophobicContact CG1-CG2 4.38Å; S209-T249 PolarHBondContact O-OG1 3.39Å; S247-T249 PolarHBondContact O-N 2.77Å; S247-T249 PolarHBondContact OG-OG1 3.22Å; S247-T249 VanDerWaalsContact OG-OG1 3.05Å |
| 250 | H | 93.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.3 | -44.8 | 175 | -174.8 | 93.6 | 0 | 0 | 0 | 111.3 | V212 A217 D220 R246 S247 A248 L252 R253 V254 | V212-H250 HydrophobicContact CG1-CB 4.48Å; A217-H250 PolarHBondContact N-CE1 2.76Å; D220-H250 IonicContact OD2-CD2 2.72Å; D220-H250 IonicContact OD2-CE1 2.62Å; D220-H250 IonicContact OD2-NE2 2.72Å; D220-H250 PolarHBondContact OD2-NE2 3.12Å; R246-H250 HydrophobicContact CB-CB 4.49Å; S247-H250 WeakPolarHBondContact O-CB 3.47Å; S247-H250 PolarHBondContact O-N 3.3Å; S247-H250 VanDerWaalsContact OG-CB 3.3Å; S247-H250 WeakPolarHBondContact OG-CB 3.3Å; S247-H250 PolarHBondContact OG-N 2.78Å; A248-H250 VanDerWaalsContact C-N 3.35Å; A248-H250 PolarHBondContact O-N 2.82Å; H250-L252 PolarHBondContact O-N 2.82Å; H250-R253 WeakPolarHBondContact O-CA 3.39Å; H250-R253 WeakPolarHBondContact O-CB 3.35Å; H250-R253 PolarHBondContact O-N 3.36Å; H250-V254 WeakPolarHBondContact O-CG2 3.47Å; H250-V254 PolarHBondContact O-N 3.35Å |
| 251 | L | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -40.4 | 178.8 | -75.4 | 175.3 | 0 | 0 | 0 | 113 | I242 L243 R246 S247 A248 R253 V254 F255 T289 | I242-L251 HydrophobicContact CG2-CD2 3.97Å; L243-L251 HydrophobicContact CD2-CD2 4.4Å; L243-L251 WeakPolarHBondContact O-CD1 3.13Å; R246-L251 HydrophobicContact CB-CD1 4.46Å; R246-L251 HydrophobicContact CB-CD2 3.83Å; R246-L251 HydrophobicContact CB-CG 3.79Å; R246-L251 HydrophobicContact CG-CD2 4.37Å; S247-L251 PolarHBondContact O-N 3.27Å; A248-L251 PolarHBondContact O-N 3.02Å; L251-R253 VanDerWaalsContact C-N 3.27Å; L251-R253 PolarHBondContact O-N 2.83Å; L251-V254 WeakPolarHBondContact O-CB 3.33Å; L251-V254 PolarHBondContact O-N 3.39Å; L251-V254 VanDerWaalsContact O-N 3.12Å; L251-F255 HydrophobicContact CB-CE1 4.42Å; L251-F255 HydrophobicContact CB-CE2 4.15Å; L251-F255 HydrophobicContact CB-CZ 3.91Å; L251-F255 HydrophobicContact CD2-CE1 4.32Å; L251-F255 HydrophobicContact CD2-CZ 4.35Å; L251-F255 WeakPolarHBondContact O-CD1 3.41Å; L251-F255 VanDerWaalsContact O-CD2 3.31Å; L251-F255 WeakPolarHBondContact O-CD2 3.28Å; L251-F255 WeakPolarHBondContact O-CG 3.37Å; L251-F255 PolarHBondContact O-N 3.23Å; L251-T289 HydrophobicContact CB-CG2 3.75Å; L251-T289 HydrophobicContact CD1-CG2 4.33Å |
| 252 | L | 94.8 | Very high | 94.5 | Very high | 70 Ų | 70 | 38.6 Ų | 38.6 | 37% | 0.366 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.3 | -45 | 172 | -71.9 | 171.8 | 0 | 0 | 0 | 111.8 | A248 H250 F255 E256 T289 Q290 | A248-L252 WeakPolarHBondContact O-CG 3.27Å; A248-L252 PolarHBondContact O-N 2.71Å; H250-L252 PolarHBondContact O-N 2.82Å; L252-F255 PolarHBondContact O-N 2.67Å; L252-E256 WeakPolarHBondContact O-CG 3.29Å; L252-E256 PolarHBondContact O-N 2.94Å; L252-E256 VanDerWaalsContact O-N 3.13Å; L252-T289 HydrophobicContact CD2-CG2 4.38Å; L252-T289 HydrophobicContact CG-CG2 4.25Å; L252-Q290 HydrophobicContact CD2-CG 4.38Å |
| 253 | R | 96.1 | Very high | 94.5 | Very high | 74 Ų | 74 | 45.4 Ų | 45.4 | 28% | 0.279 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.4 | -37.5 | 177 | -167.1 | 73 | -176.4 | 100.4 | 24.3 | 112.4 | V212 A217 H250 L251 F255 E256 E257 | V212-R253 HydrophobicContact CG1-CB 3.84Å; V212-R253 HydrophobicContact CG1-CG 3.96Å; A217-R253 HydrophobicContact CB-CB 4.14Å; A217-R253 HydrophobicContact CB-CG 3.79Å; H250-R253 WeakPolarHBondContact O-CA 3.39Å; H250-R253 WeakPolarHBondContact O-CB 3.35Å; H250-R253 PolarHBondContact O-N 3.36Å; L251-R253 VanDerWaalsContact C-N 3.27Å; L251-R253 PolarHBondContact O-N 2.83Å; R253-F255 VanDerWaalsContact C-N 3.35Å; R253-E256 IonicContact CZ-OE2 3.12Å; R253-E256 IonicContact NE-OE2 2.72Å; R253-E256 IonicContact NH1-OE2 2.69Å; R253-E256 PolarHBondContact NH1-OE2 2.9Å; R253-E256 PolarHBondContact O-N 2.69Å; R253-E257 IonicContact CZ-OE1 2.71Å; R253-E257 IonicContact NH1-OE1 3.97Å; R253-E257 PolarHBondContact NH1-OE1 2.89Å; R253-E257 IonicContact NH2-OE1 3.71Å; R253-E257 PolarHBondContact NH2-OE1 3.27Å; R253-E257 PolarHBondContact O-N 2.92Å; R253-E257 VanDerWaalsContact O-N 3.11Å |
| 254 | V | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | A217 D220 A221 L224 H250 L251 E257 Y258 | A217-V254 HydrophobicContact CB-CG2 4.08Å; D220-V254 HydrophobicContact CB-CG1 4.12Å; D220-V254 HydrophobicContact CB-CG2 3.74Å; A221-V254 HydrophobicContact CB-CG1 4.23Å; L224-V254 HydrophobicContact CD1-CG1 3.69Å; H250-V254 WeakPolarHBondContact O-CG2 3.47Å; H250-V254 PolarHBondContact O-N 3.35Å; L251-V254 WeakPolarHBondContact O-CB 3.33Å; L251-V254 PolarHBondContact O-N 3.39Å; L251-V254 VanDerWaalsContact O-N 3.12Å; V254-E257 PolarHBondContact O-N 2.92Å; V254-Y258 VanDerWaalsContact O-CB 3.24Å; V254-Y258 WeakPolarHBondContact O-CB 3.33Å; V254-Y258 PolarHBondContact O-N 3.03Å |
| 255 | F | 97.8 | Very high | 94.7 | Very high | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.6 | -41.2 | 178.9 | -54.5 | -26.8 | 0 | 0 | 0 | 111.9 | L243 L251 L252 R253 E257 Y258 E259 I266 V286 T289 Q290 | L243-F255 HydrophobicContact CD2-CE1 3.89Å; L243-F255 HydrophobicContact CD2-CZ 3.93Å; L251-F255 HydrophobicContact CB-CE1 4.42Å; L251-F255 HydrophobicContact CB-CE2 4.15Å; L251-F255 HydrophobicContact CB-CZ 3.91Å; L251-F255 HydrophobicContact CD2-CE1 4.32Å; L251-F255 HydrophobicContact CD2-CZ 4.35Å; L251-F255 WeakPolarHBondContact O-CD1 3.41Å; L251-F255 VanDerWaalsContact O-CD2 3.31Å; L251-F255 WeakPolarHBondContact O-CD2 3.28Å; L251-F255 WeakPolarHBondContact O-CG 3.37Å; L251-F255 PolarHBondContact O-N 3.23Å; L252-F255 PolarHBondContact O-N 2.67Å; R253-F255 VanDerWaalsContact C-N 3.35Å; F255-E257 PolarHBondContact O-N 3.34Å; F255-Y258 PolarHBondContact O-N 2.94Å; F255-E259 PolarHBondContact O-N 3.17Å; F255-I266 HydrophobicContact CB-CG2 4.25Å; F255-I266 HydrophobicContact CD1-CB 4.18Å; F255-I266 HydrophobicContact CD1-CG1 4.11Å; F255-I266 HydrophobicContact CD1-CG2 3.75Å; F255-I266 HydrophobicContact CD2-CG2 4.46Å; F255-I266 HydrophobicContact CE1-CG1 4.22Å; F255-I266 HydrophobicContact CE1-CG2 4.2Å; F255-I266 HydrophobicContact CG-CG2 3.9Å; F255-V286 HydrophobicContact CD2-CG1 4.47Å; F255-V286 HydrophobicContact CE1-CG2 4.32Å; F255-V286 HydrophobicContact CE2-CG1 4.02Å; F255-V286 HydrophobicContact CE2-CG2 4.45Å; F255-V286 HydrophobicContact CZ-CB 4.41Å; F255-V286 HydrophobicContact CZ-CG1 4.26Å; F255-V286 HydrophobicContact CZ-CG2 3.89Å; F255-T289 HydrophobicContact CE2-CG2 3.9Å; F255-Q290 HydrophobicContact CD2-CG 4.49Å |
| 256 | E | 97.3 | Very high | 95 | Very high | 97 Ų | 97 | 46.9 Ų | 46.9 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 173.3 | -71.4 | 175 | -176.2 | 0 | 0 | 113.2 | L252 R253 K260 | L252-E256 WeakPolarHBondContact O-CG 3.29Å; L252-E256 PolarHBondContact O-N 2.94Å; L252-E256 VanDerWaalsContact O-N 3.13Å; R253-E256 IonicContact CZ-OE2 3.12Å; R253-E256 IonicContact NE-OE2 2.72Å; R253-E256 IonicContact NH1-OE2 2.69Å; R253-E256 PolarHBondContact NH1-OE2 2.9Å; R253-E256 PolarHBondContact O-N 2.69Å; E256-K260 WeakPolarHBondContact O-CD 3.31Å; E256-K260 VanDerWaalsContact O-CE 3.27Å; E256-K260 WeakPolarHBondContact O-CE 3.39Å; E256-K260 WeakPolarHBondContact O-CG 3.24Å |
| 257 | E | 98.2 | Very high | 95.2 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -77.3 | -33.2 | 177.8 | -66.1 | -53.2 | 129.8 | 0 | 0 | 112 | L218 A221 R253 V254 F255 K260 I261 | L218-E257 HydrophobicContact CD1-CB 4.34Å; L218-E257 HydrophobicContact CD1-CG 4.49Å; A221-E257 HydrophobicContact CB-CB 3.8Å; R253-E257 IonicContact CZ-OE1 2.71Å; R253-E257 IonicContact NH1-OE1 3.97Å; R253-E257 PolarHBondContact NH1-OE1 2.89Å; R253-E257 IonicContact NH2-OE1 3.71Å; R253-E257 PolarHBondContact NH2-OE1 3.27Å; R253-E257 PolarHBondContact O-N 2.92Å; R253-E257 VanDerWaalsContact O-N 3.11Å; V254-E257 PolarHBondContact O-N 2.92Å; F255-E257 PolarHBondContact O-N 3.34Å; E257-K260 PolarHBondContact O-N 3.47Å; E257-K260 IonicContact OE1-NZ 2.69Å; E257-K260 PolarHBondContact OE1-NZ 3.26Å; E257-K260 IonicContact OE2-NZ 3.09Å; E257-I261 WeakPolarHBondContact O-CD1 3.36Å; E257-I261 VanDerWaalsContact O-CG1 3.31Å; E257-I261 WeakPolarHBondContact O-CG1 3.42Å; E257-I261 PolarHBondContact O-N 3.48Å |
| 258 | Y | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 174.7 | -178 | -87.5 | 0 | 0 | 0 | 111.1 | L224 V254 F255 K260 I261 A262 I266 S269 | L224-Y258 HydrophobicContact CB-CD2 3.78Å; L224-Y258 HydrophobicContact CB-CE2 3.8Å; V254-Y258 VanDerWaalsContact O-CB 3.24Å; V254-Y258 WeakPolarHBondContact O-CB 3.33Å; V254-Y258 PolarHBondContact O-N 3.03Å; F255-Y258 PolarHBondContact O-N 2.94Å; Y258-K260 VanDerWaalsContact C-N 3.27Å; Y258-K260 PolarHBondContact O-N 3.37Å; Y258-I261 PolarHBondContact O-N 2.74Å; Y258-I261 VanDerWaalsContact O-N 3.08Å; Y258-A262 HydrophobicContact CD1-CB 4.09Å; Y258-A262 HydrophobicContact CE1-CB 3.65Å; Y258-A262 HydrophobicContact CE2-CB 4.48Å; Y258-A262 WeakPolarHBondContact O-CB 3.17Å; Y258-A262 PolarHBondContact O-N 2.72Å; Y258-I266 HydrophobicContact CD1-CB 4.07Å; Y258-I266 HydrophobicContact CD1-CD1 4.07Å; Y258-I266 HydrophobicContact CD2-CD1 4.11Å; Y258-I266 HydrophobicContact CE1-CB 4.36Å; Y258-I266 HydrophobicContact CE1-CD1 3.98Å; Y258-I266 HydrophobicContact CE2-CD1 3.99Å; Y258-I266 HydrophobicContact CG-CD1 4.15Å; Y258-S269 WeakPolarHBondContact CE1-OG 3.16Å; Y258-S269 WeakPolarHBondContact OH-CB 3.23Å; Y258-S269 PolarHBondContact OH-OG 3.21Å |
| 259 | E | 96.9 | Very high | 95.7 | Very high | 115 Ų | 115 | 47.1 Ų | 47.1 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.8 | -38.8 | -179.8 | -172.8 | 175.8 | -151 | 0 | 0 | 112.1 | F255 I261 N263 | F255-E259 PolarHBondContact O-N 3.17Å; E259-I261 PolarHBondContact O-N 2.76Å; E259-N263 VanDerWaalsContact O-CA 3.25Å; E259-N263 WeakPolarHBondContact O-CA 3.39Å; E259-N263 PolarHBondContact O-N 3.37Å |
| 260 | K | 97 | Very high | 95.8 | Very high | 125 Ų | 125 | 44.7 Ų | 44.7 | 54% | 0.543 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67 | -32.5 | 177 | -65.3 | 167.9 | -162.8 | 174 | 0 | 113.6 | E256 E257 Y258 | E256-K260 WeakPolarHBondContact O-CD 3.31Å; E256-K260 VanDerWaalsContact O-CE 3.27Å; E256-K260 WeakPolarHBondContact O-CE 3.39Å; E256-K260 WeakPolarHBondContact O-CG 3.24Å; E257-K260 PolarHBondContact O-N 3.47Å; E257-K260 IonicContact OE1-NZ 2.69Å; E257-K260 PolarHBondContact OE1-NZ 3.26Å; E257-K260 IonicContact OE2-NZ 3.09Å; Y258-K260 VanDerWaalsContact C-N 3.27Å; Y258-K260 PolarHBondContact O-N 3.37Å |
| 261 | I | 95.9 | Very high | 95.9 | Very high | 50 Ų | 50 | 49 Ų | 49 | 26% | 0.256 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -85.2 | -45.5 | -178.3 | -63.7 | 163.9 | 0 | 0 | 0 | 110.3 | L218 A221 Q222 Y225 E257 Y258 E259 | L218-I261 HydrophobicContact CD1-CD1 3.95Å; A221-I261 HydrophobicContact CB-CD1 4.14Å; Q222-I261 HydrophobicContact CG-CD1 3.8Å; Y225-I261 HydrophobicContact CD1-CG2 3.55Å; Y225-I261 HydrophobicContact CD2-CG2 4.47Å; Y225-I261 HydrophobicContact CE1-CG2 4.01Å; Y225-I261 HydrophobicContact CG-CG2 3.83Å; E257-I261 WeakPolarHBondContact O-CD1 3.36Å; E257-I261 VanDerWaalsContact O-CG1 3.31Å; E257-I261 WeakPolarHBondContact O-CG1 3.42Å; E257-I261 PolarHBondContact O-N 3.48Å; Y258-I261 PolarHBondContact O-N 2.74Å; Y258-I261 VanDerWaalsContact O-N 3.08Å; E259-I261 PolarHBondContact O-N 2.76Å |
| 262 | A | 93.6 | Very high | 95.7 | Very high | 16 Ų | 16 | 52 Ų | 52 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -83.4 | -22.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y225 Y258 K264 | Y225-A262 HydrophobicContact CD2-CB 3.66Å; Y225-A262 HydrophobicContact CE2-CB 3.96Å; Y258-A262 HydrophobicContact CD1-CB 4.09Å; Y258-A262 HydrophobicContact CE1-CB 3.65Å; Y258-A262 HydrophobicContact CE2-CB 4.48Å; Y258-A262 WeakPolarHBondContact O-CB 3.17Å; Y258-A262 PolarHBondContact O-N 2.72Å; A262-K264 HydrophobicContact CB-CB 4.2Å; A262-K264 PolarHBondContact O-N 2.9Å |
| 263 | N | 94.2 | Very high | 95.5 | Very high | 146 Ų | 146 | 51 Ų | 51 | 78% | 0.781 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 55.7 | 32.7 | -166.9 | -58.2 | -89.7 | 0 | 0 | 0 | 112.4 | E259 | E259-N263 VanDerWaalsContact O-CA 3.25Å; E259-N263 WeakPolarHBondContact O-CA 3.39Å; E259-N263 PolarHBondContact O-N 3.37Å |
| 264 | K | 93.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 48 Ų | 48 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -155.2 | 142.6 | -172.1 | -173.7 | 177.6 | 171 | -164.9 | 0 | 108.8 | E229 A262 D268 S269 S272 | E229-K264 WeakPolarHBondContact OE1-CD 3.25Å; E229-K264 IonicContact OE1-NZ 3.19Å; E229-K264 PolarHBondContact OE1-NZ 3.17Å; E229-K264 IonicContact OE2-NZ 2.77Å; A262-K264 HydrophobicContact CB-CB 4.2Å; A262-K264 PolarHBondContact O-N 2.9Å; K264-D268 VanDerWaalsContact CE-C 3.41Å; K264-D268 VanDerWaalsContact CE-O 3.26Å; K264-D268 WeakPolarHBondContact CE-O 3.49Å; K264-D268 HydrophobicContact CG-CB 4.17Å; K264-S269 WeakPolarHBondContact CD-OG 3.42Å; K264-S269 WeakPolarHBondContact CE-OG 3.47Å; K264-S272 PolarHBondContact NZ-OG 3.4Å |
| 265 | S | 96 | Very high | 95.2 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 16% | 0.161 | 28% | 0.276 | C | S | . | . | trans | -67 | 154.2 | 176.9 | 74.2 | 0 | 0 | 0 | 0 | 111 | E267 D268 S269 | S265-E267 PolarHBondContact O-N 3.45Å; S265-D268 PolarHBondContact O-N 3.38Å; S265-D268 VanDerWaalsContact OG-CB 3.29Å; S265-D268 WeakPolarHBondContact OG-CB 3.45Å; S265-D268 PolarHBondContact OG-N 2.96Å; S265-D268 PolarHBondContact OG-OD2 2.98Å; S265-S269 PolarHBondContact O-N 3.43Å; S265-S269 VanDerWaalsContact O-N 3.13Å; S265-S269 PolarHBondContact O-OG 2.78Å; S265-S269 VanDerWaalsContact O-OG 3.11Å | ||
| 266 | I | 96.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -32.3 | 176.4 | -172.8 | 61 | 0 | 0 | 0 | 110.8 | L224 F239 F255 Y258 S269 I270 V286 | L224-I266 HydrophobicContact CD1-CD1 4.17Å; F239-I266 HydrophobicContact CE1-CD1 3.89Å; F255-I266 HydrophobicContact CB-CG2 4.25Å; F255-I266 HydrophobicContact CD1-CB 4.18Å; F255-I266 HydrophobicContact CD1-CG1 4.11Å; F255-I266 HydrophobicContact CD1-CG2 3.75Å; F255-I266 HydrophobicContact CD2-CG2 4.46Å; F255-I266 HydrophobicContact CE1-CG1 4.22Å; F255-I266 HydrophobicContact CE1-CG2 4.2Å; F255-I266 HydrophobicContact CG-CG2 3.9Å; Y258-I266 HydrophobicContact CD1-CB 4.07Å; Y258-I266 HydrophobicContact CD1-CD1 4.07Å; Y258-I266 HydrophobicContact CD2-CD1 4.11Å; Y258-I266 HydrophobicContact CE1-CB 4.36Å; Y258-I266 HydrophobicContact CE1-CD1 3.98Å; Y258-I266 HydrophobicContact CE2-CD1 3.99Å; Y258-I266 HydrophobicContact CG-CD1 4.15Å; I266-S269 PolarHBondContact O-N 3.47Å; I266-I270 HydrophobicContact CG1-CD1 4.08Å; I266-I270 WeakPolarHBondContact O-CD1 3.3Å; I266-I270 VanDerWaalsContact O-CG1 3.26Å; I266-I270 WeakPolarHBondContact O-CG1 3.41Å; I266-I270 PolarHBondContact O-N 3.45Å; I266-V286 HydrophobicContact CG2-CG1 3.89Å; I266-V286 HydrophobicContact CG2-CG2 4.33Å |
| 267 | E | 96.9 | Very high | 95.1 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.9 | -59.6 | 94.7 | 131.5 | 0 | 0 | 112.4 | S265 S269 I270 K271 L283 V286 Q290 | S265-E267 PolarHBondContact O-N 3.45Å; E267-S269 VanDerWaalsContact C-N 3.28Å; E267-I270 PolarHBondContact O-N 3.02Å; E267-K271 WeakPolarHBondContact O-CE 3.46Å; E267-K271 VanDerWaalsContact O-CG 3.24Å; E267-K271 WeakPolarHBondContact O-CG 3.3Å; E267-K271 PolarHBondContact O-N 3.01Å; E267-L283 HydrophobicContact CB-CD2 3.87Å; E267-L283 HydrophobicContact CG-CD2 4.22Å; E267-V286 HydrophobicContact CG-CG1 3.9Å; E267-Q290 PolarHBondContact OE1-NE2 3.14Å; E267-Q290 PolarHBondContact OE1-OE1 3.31Å |
| 268 | D | 95.1 | Very high | 95 | Very high | 76 Ų | 76 | 53.8 Ų | 53.8 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.3 | -24.5 | 178.7 | -61.9 | -39.5 | 0 | 0 | 0 | 111.8 | K264 S265 K271 S272 | K264-D268 VanDerWaalsContact CE-C 3.41Å; K264-D268 VanDerWaalsContact CE-O 3.26Å; K264-D268 WeakPolarHBondContact CE-O 3.49Å; K264-D268 HydrophobicContact CG-CB 4.17Å; S265-D268 PolarHBondContact O-N 3.38Å; S265-D268 VanDerWaalsContact OG-CB 3.29Å; S265-D268 WeakPolarHBondContact OG-CB 3.45Å; S265-D268 PolarHBondContact OG-N 2.96Å; S265-D268 PolarHBondContact OG-OD2 2.98Å; D268-K271 IonicContact OD1-NZ 3.98Å; D268-K271 PolarHBondContact OD1-NZ 2.9Å; D268-S272 PolarHBondContact O-N 2.71Å |
| 269 | S | 94.4 | Very high | 95 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.1 | -47.4 | 169 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | E229 Y258 K264 S265 I266 E267 K271 S272 E273 | E229-S269 PolarHBondContact OE1-OG 2.96Å; Y258-S269 WeakPolarHBondContact CE1-OG 3.16Å; Y258-S269 WeakPolarHBondContact OH-CB 3.23Å; Y258-S269 PolarHBondContact OH-OG 3.21Å; K264-S269 WeakPolarHBondContact CD-OG 3.42Å; K264-S269 WeakPolarHBondContact CE-OG 3.47Å; S265-S269 PolarHBondContact O-N 3.43Å; S265-S269 VanDerWaalsContact O-N 3.13Å; S265-S269 PolarHBondContact O-OG 2.78Å; S265-S269 VanDerWaalsContact O-OG 3.11Å; I266-S269 PolarHBondContact O-N 3.47Å; E267-S269 VanDerWaalsContact C-N 3.28Å; S269-K271 PolarHBondContact O-N 2.89Å; S269-S272 PolarHBondContact O-N 3.28Å; S269-S272 PolarHBondContact O-OG 2.61Å; S269-S272 VanDerWaalsContact O-OG 3.13Å; S269-E273 WeakPolarHBondContact O-CB 3.5Å; S269-E273 VanDerWaalsContact O-CG 3.32Å; S269-E273 WeakPolarHBondContact O-CG 3.19Å; S269-E273 PolarHBondContact O-N 2.81Å |
| 270 | I | 94.9 | Very high | 95 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.5 | -41.2 | 174.8 | -70.3 | 159.7 | 0 | 0 | 0 | 111.1 | F239 I266 E267 S272 T274 E279 M282 L283 V286 | F239-I270 HydrophobicContact CD1-CG1 4.31Å; F239-I270 HydrophobicContact CE1-CG1 4.14Å; I266-I270 HydrophobicContact CG1-CD1 4.08Å; I266-I270 WeakPolarHBondContact O-CD1 3.3Å; I266-I270 VanDerWaalsContact O-CG1 3.26Å; I266-I270 WeakPolarHBondContact O-CG1 3.41Å; I266-I270 PolarHBondContact O-N 3.45Å; E267-I270 PolarHBondContact O-N 3.02Å; I270-S272 PolarHBondContact O-N 2.78Å; I270-T274 WeakPolarHBondContact CG2-OG1 3.46Å; I270-T274 PolarHBondContact O-N 2.62Å; I270-T274 PolarHBondContact O-OG1 2.93Å; I270-E279 HydrophobicContact CG2-CG 4.13Å; I270-M282 HydrophobicContact CD1-CB 4.01Å; I270-M282 HydrophobicContact CG1-CB 4.27Å; I270-M282 HydrophobicContact CG1-SD 4.4Å; I270-M282 HydrophobicContact CG2-CB 3.71Å; I270-M282 HydrophobicContact CG2-SD 4.38Å; I270-L283 HydrophobicContact CB-CD2 3.97Å; I270-L283 HydrophobicContact CB-CG 4.48Å; I270-L283 HydrophobicContact CD1-CD2 4.32Å; I270-L283 HydrophobicContact CG2-CD2 3.82Å; I270-L283 HydrophobicContact CG2-CG 3.78Å; I270-V286 HydrophobicContact CD1-CG2 3.74Å |
| 271 | K | 95.1 | Very high | 95.1 | Very high | 101 Ų | 101 | 48.2 Ų | 48.2 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.6 | -24.7 | 177.3 | -68.2 | 167.5 | -148.9 | 156.8 | 0 | 115.2 | E267 D268 S269 L283 | E267-K271 WeakPolarHBondContact O-CE 3.46Å; E267-K271 VanDerWaalsContact O-CG 3.24Å; E267-K271 WeakPolarHBondContact O-CG 3.3Å; E267-K271 PolarHBondContact O-N 3.01Å; D268-K271 IonicContact OD1-NZ 3.98Å; D268-K271 PolarHBondContact OD1-NZ 2.9Å; S269-K271 PolarHBondContact O-N 2.89Å; K271-L283 HydrophobicContact CG-CD1 4.08Å; K271-L283 HydrophobicContact CG-CD2 4.49Å |
| 272 | S | 91.6 | Very high | 95.2 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -88.8 | -32.7 | 175.9 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | K264 D268 S269 I270 | K264-S272 PolarHBondContact NZ-OG 3.4Å; D268-S272 PolarHBondContact O-N 2.71Å; S269-S272 PolarHBondContact O-N 3.28Å; S269-S272 PolarHBondContact O-OG 2.61Å; S269-S272 VanDerWaalsContact O-OG 3.13Å; I270-S272 PolarHBondContact O-N 2.78Å |
| 273 | E | 90.6 | Very high | 95.4 | Very high | 47 Ų | 47 | 46 Ų | 46 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -94.1 | -23.5 | -171.7 | -65.1 | -34.8 | 109.4 | 0 | 0 | 113.9 | T234 S269 | T234-E273 HydrophobicContact CG2-CB 3.84Å; T234-E273 HydrophobicContact CG2-CG 4.46Å; T234-E273 WeakPolarHBondContact OG1-CB 3.16Å; T234-E273 PolarHBondContact OG1-O 2.7Å; S269-E273 WeakPolarHBondContact O-CB 3.5Å; S269-E273 VanDerWaalsContact O-CG 3.32Å; S269-E273 WeakPolarHBondContact O-CG 3.19Å; S269-E273 PolarHBondContact O-N 2.81Å |
| 274 | T | 92.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | trans | -128.5 | 167 | -179 | 70 | 0 | 0 | 0 | 0 | 111.5 | I270 L278 E279 M282 | I270-T274 WeakPolarHBondContact CG2-OG1 3.46Å; I270-T274 PolarHBondContact O-N 2.62Å; I270-T274 PolarHBondContact O-OG1 2.93Å; T274-L278 HydrophobicContact CG2-CD2 4.17Å; T274-E279 WeakPolarHBondContact OG1-CA 3.41Å; T274-E279 WeakPolarHBondContact OG1-CB 3.48Å; T274-M282 HydrophobicContact CG2-CE 4.35Å; T274-M282 HydrophobicContact CG2-SD 3.99Å | ||
| 275 | H | 93.7 | Very high | 95.8 | Very high | 159 Ų | 159 | 37 Ų | 37 | 74% | 0.736 | 20% | 0.202 | S | C | * | . | trans | -146.9 | 159.8 | 178.7 | 60 | -81.8 | 0 | 0 | 0 | 111.5 | E279 | H275-E279 WeakPolarHBondContact CA-OE2 3.27Š| ||
| 276 | G | 96.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 35.9 Ų | 35.9 | 47% | 0.474 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | 65.1 | -140.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | L278 E279 E280 | G276-L278 VanDerWaalsContact C-N 3.29Å; G276-L278 PolarHBondContact O-N 2.98Å; G276-E279 VanDerWaalsContact O-CB 3.31Å; G276-E279 WeakPolarHBondContact O-CB 3.2Å; G276-E279 PolarHBondContact O-N 3.44Å; G276-E279 VanDerWaalsContact O-N 3.12Å; G276-E280 PolarHBondContact O-N 2.93Å |
| 277 | S | 96.4 | Very high | 96 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.6 | -23.7 | -170.3 | -47.7 | 0 | 0 | 0 | 0 | 113.8 | E151 I155 A281 | E151-S277 VanDerWaalsContact OE2-CB 3.23Å; E151-S277 WeakPolarHBondContact OE2-CB 3.42Å; E151-S277 PolarHBondContact OE2-OG 2.98Å; I155-S277 WeakPolarHBondContact CD1-O 3.37Å; S277-A281 WeakPolarHBondContact O-CB 3.46Å; S277-A281 PolarHBondContact O-N 2.94Å |
| 278 | L | 96.8 | Very high | 95.9 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.2 | -42.1 | 170.5 | -175.7 | 64.9 | 0 | 0 | 0 | 111.4 | Y192 I196 E236 I240 T274 G276 A281 M282 | Y192-L278 HydrophobicContact CD2-CD2 4.36Å; Y192-L278 HydrophobicContact CG-CD2 4.35Å; I196-L278 HydrophobicContact CG2-CD1 4.23Å; E236-L278 HydrophobicContact CB-CD2 4.23Å; E236-L278 HydrophobicContact CG-CD2 4.05Å; I240-L278 HydrophobicContact CD1-CD1 4.38Å; T274-L278 HydrophobicContact CG2-CD2 4.17Å; G276-L278 VanDerWaalsContact C-N 3.29Å; G276-L278 PolarHBondContact O-N 2.98Å; L278-A281 PolarHBondContact O-N 3.08Å; L278-M282 HydrophobicContact CD1-CE 3.93Å; L278-M282 HydrophobicContact CD2-CE 4.17Å; L278-M282 HydrophobicContact CG-CE 3.98Å; L278-M282 WeakPolarHBondContact O-CG 3.33Å; L278-M282 PolarHBondContact O-N 3.15Å |
| 279 | E | 97.6 | Very high | 95.9 | Very high | 53 Ų | 53 | 34.5 Ų | 34.5 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | 174.2 | -169.6 | -157.6 | 151.5 | 0 | 0 | 110.4 | I270 T274 H275 G276 A281 M282 L283 | I270-E279 HydrophobicContact CG2-CG 4.13Å; T274-E279 WeakPolarHBondContact OG1-CA 3.41Å; T274-E279 WeakPolarHBondContact OG1-CB 3.48Å; H275-E279 WeakPolarHBondContact CA-OE2 3.27Å; G276-E279 VanDerWaalsContact O-CB 3.31Å; G276-E279 WeakPolarHBondContact O-CB 3.2Å; G276-E279 PolarHBondContact O-N 3.44Å; G276-E279 VanDerWaalsContact O-N 3.12Å; E279-A281 VanDerWaalsContact C-N 3.29Å; E279-A281 PolarHBondContact O-N 3.47Å; E279-M282 PolarHBondContact O-N 3.03Å; E279-L283 HydrophobicContact CG-CD1 3.94Å; E279-L283 HydrophobicContact CG-CG 4.38Å; E279-L283 VanDerWaalsContact O-CB 3.3Å; E279-L283 WeakPolarHBondContact O-CB 3.36Å; E279-L283 VanDerWaalsContact O-CG 3.3Å; E279-L283 WeakPolarHBondContact O-CG 3.38Å; E279-L283 PolarHBondContact O-N 3.5Å |
| 280 | E | 98.3 | Very high | 96 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 175.3 | -174.4 | 173.6 | -179.6 | 0 | 0 | 111.2 | I155 G276 T284 R299 | I155-E280 HydrophobicContact CD1-CB 4.21Å; I155-E280 HydrophobicContact CD1-CG 4.25Å; I155-E280 HydrophobicContact CG2-CG 4.37Å; G276-E280 PolarHBondContact O-N 2.93Å; E280-T284 WeakPolarHBondContact O-CB 3.49Å; E280-T284 PolarHBondContact O-N 2.94Å; E280-T284 PolarHBondContact O-OG1 3Å; E280-R299 IonicContact OE1-CZ 2.76Å; E280-R299 IonicContact OE1-NH1 3.8Å; E280-R299 PolarHBondContact OE1-NH1 3.39Å |
| 281 | A | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -52.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I155 L193 I196 S277 L278 E279 T284 V285 | I155-A281 HydrophobicContact CD1-CB 4.09Å; I155-A281 HydrophobicContact CG1-CB 4.03Å; I155-A281 HydrophobicContact CG2-CB 4.28Å; L193-A281 HydrophobicContact CD1-CB 4.17Å; I196-A281 HydrophobicContact CD1-CB 4.11Å; I196-A281 HydrophobicContact CG2-CB 3.76Å; S277-A281 WeakPolarHBondContact O-CB 3.46Å; S277-A281 PolarHBondContact O-N 2.94Å; L278-A281 PolarHBondContact O-N 3.08Å; E279-A281 VanDerWaalsContact C-N 3.29Å; E279-A281 PolarHBondContact O-N 3.47Å; A281-T284 PolarHBondContact O-N 3.45Å; A281-V285 WeakPolarHBondContact O-CG2 3.46Å; A281-V285 PolarHBondContact O-N 3.46Å |
| 282 | M | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 179.7 | -70.7 | -171.1 | -177.4 | 0 | 0 | 111.9 | I196 E236 F239 I240 L243 I270 T274 L278 E279 T284 V285 V286 | I196-M282 HydrophobicContact CD1-CG 3.85Å; E236-M282 HydrophobicContact CB-CE 4.47Å; F239-M282 HydrophobicContact CB-CE 3.52Å; F239-M282 HydrophobicContact CB-SD 3.92Å; F239-M282 HydrophobicContact CD1-SD 4.15Å; F239-M282 HydrophobicContact CG-CE 4.35Å; F239-M282 HydrophobicContact CG-SD 4.3Å; I240-M282 HydrophobicContact CG1-CE 3.98Å; L243-M282 HydrophobicContact CD1-CB 4.11Å; L243-M282 HydrophobicContact CD1-CG 3.99Å; L243-M282 HydrophobicContact CD1-SD 4.41Å; I270-M282 HydrophobicContact CD1-CB 4.01Å; I270-M282 HydrophobicContact CG1-CB 4.27Å; I270-M282 HydrophobicContact CG1-SD 4.4Å; I270-M282 HydrophobicContact CG2-CB 3.71Å; I270-M282 HydrophobicContact CG2-SD 4.38Å; T274-M282 HydrophobicContact CG2-CE 4.35Å; T274-M282 HydrophobicContact CG2-SD 3.99Å; L278-M282 HydrophobicContact CD1-CE 3.93Å; L278-M282 HydrophobicContact CD2-CE 4.17Å; L278-M282 HydrophobicContact CG-CE 3.98Å; L278-M282 WeakPolarHBondContact O-CG 3.33Å; L278-M282 PolarHBondContact O-N 3.15Å; E279-M282 PolarHBondContact O-N 3.03Å; M282-T284 VanDerWaalsContact C-N 3.28Å; M282-T284 PolarHBondContact O-N 3.36Å; M282-V285 PolarHBondContact O-N 3.13Å; M282-V286 WeakPolarHBondContact O-CG2 3.4Å; M282-V286 PolarHBondContact O-N 3.3Å |
| 283 | L | 98.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 11% | 0.105 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -35.8 | 176.2 | -69.6 | 178.7 | 0 | 0 | 0 | 112.1 | E267 I270 K271 E279 K287 | E267-L283 HydrophobicContact CB-CD2 3.87Å; E267-L283 HydrophobicContact CG-CD2 4.22Å; I270-L283 HydrophobicContact CB-CD2 3.97Å; I270-L283 HydrophobicContact CB-CG 4.48Å; I270-L283 HydrophobicContact CD1-CD2 4.32Å; I270-L283 HydrophobicContact CG2-CD2 3.82Å; I270-L283 HydrophobicContact CG2-CG 3.78Å; K271-L283 HydrophobicContact CG-CD1 4.08Å; K271-L283 HydrophobicContact CG-CD2 4.49Å; E279-L283 HydrophobicContact CG-CD1 3.94Å; E279-L283 HydrophobicContact CG-CG 4.38Å; E279-L283 VanDerWaalsContact O-CB 3.3Å; E279-L283 WeakPolarHBondContact O-CB 3.36Å; E279-L283 VanDerWaalsContact O-CG 3.3Å; E279-L283 WeakPolarHBondContact O-CG 3.38Å; E279-L283 PolarHBondContact O-N 3.5Å; L283-K287 WeakPolarHBondContact O-CB 2.98Å; L283-K287 VanDerWaalsContact O-CG 3.27Å; L283-K287 WeakPolarHBondContact O-CG 3.39Å; L283-K287 PolarHBondContact O-N 2.91Å |
| 284 | T | 98.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 175.8 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | I155 A159 E280 A281 M282 V286 K287 C288 Y295 | I155-T284 HydrophobicContact CG2-CG2 4.04Å; A159-T284 HydrophobicContact CB-CG2 3.5Å; A159-T284 VanDerWaalsContact CB-CG2 3.5Å; E280-T284 WeakPolarHBondContact O-CB 3.49Å; E280-T284 PolarHBondContact O-N 2.94Å; E280-T284 PolarHBondContact O-OG1 3Å; A281-T284 PolarHBondContact O-N 3.45Å; M282-T284 VanDerWaalsContact C-N 3.28Å; M282-T284 PolarHBondContact O-N 3.36Å; T284-V286 PolarHBondContact O-N 3.23Å; T284-K287 PolarHBondContact O-N 3.49Å; T284-C288 WeakPolarHBondContact O-CB 3.34Å; T284-C288 PolarHBondContact O-N 2.83Å; T284-C288 PolarHBondContact O-SG 2.73Å; T284-Y295 HydrophobicContact CG2-CD2 4.46Å; T284-Y295 HydrophobicContact CG2-CE1 4.42Å; T284-Y295 HydrophobicContact CG2-CE2 3.6Å; T284-Y295 WeakPolarHBondContact CG2-OH 3.5Å |
| 285 | V | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 177.2 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | A159 L200 L243 A281 M282 T289 | A159-V285 HydrophobicContact CB-CG2 3.8Å; L200-V285 HydrophobicContact CD1-CG2 3.95Å; L200-V285 HydrophobicContact CD2-CG2 3.94Å; L243-V285 HydrophobicContact CB-CG1 4.14Å; A281-V285 WeakPolarHBondContact O-CG2 3.46Å; A281-V285 PolarHBondContact O-N 3.46Å; M282-V285 PolarHBondContact O-N 3.13Å; V285-T289 WeakPolarHBondContact O-CB 3.4Å; V285-T289 PolarHBondContact O-N 3.49Å; V285-T289 PolarHBondContact O-OG1 2.94Å |
| 286 | V | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60 | -50.9 | 175.5 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | L243 F255 I266 E267 I270 M282 T284 C288 T289 Q290 | L243-V286 HydrophobicContact CD2-CG2 4.01Å; F255-V286 HydrophobicContact CD2-CG1 4.47Å; F255-V286 HydrophobicContact CE1-CG2 4.32Å; F255-V286 HydrophobicContact CE2-CG1 4.02Å; F255-V286 HydrophobicContact CE2-CG2 4.45Å; F255-V286 HydrophobicContact CZ-CB 4.41Å; F255-V286 HydrophobicContact CZ-CG1 4.26Å; F255-V286 HydrophobicContact CZ-CG2 3.89Å; I266-V286 HydrophobicContact CG2-CG1 3.89Å; I266-V286 HydrophobicContact CG2-CG2 4.33Å; E267-V286 HydrophobicContact CG-CG1 3.9Å; I270-V286 HydrophobicContact CD1-CG2 3.74Å; M282-V286 WeakPolarHBondContact O-CG2 3.4Å; M282-V286 PolarHBondContact O-N 3.3Å; T284-V286 PolarHBondContact O-N 3.23Å; V286-C288 PolarHBondContact O-N 3.05Å; V286-T289 WeakPolarHBondContact O-CB 3.48Å; V286-T289 PolarHBondContact O-N 3.43Å; V286-T289 VanDerWaalsContact O-N 3.13Å; V286-Q290 HydrophobicContact CG1-CG 4.33Å; V286-Q290 WeakPolarHBondContact O-CG 3.43Å; V286-Q290 PolarHBondContact O-N 2.96Å |
| 287 | K | 97.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 27 Ų | 27 | 24% | 0.243 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | -179.9 | -72.6 | 177.3 | -177.5 | -168.9 | 0 | 112.9 | L283 T284 T289 Q290 N291 Y295 E298 | L283-K287 WeakPolarHBondContact O-CB 2.98Å; L283-K287 VanDerWaalsContact O-CG 3.27Å; L283-K287 WeakPolarHBondContact O-CG 3.39Å; L283-K287 PolarHBondContact O-N 2.91Å; T284-K287 PolarHBondContact O-N 3.49Å; K287-T289 VanDerWaalsContact C-N 3.29Å; K287-T289 PolarHBondContact O-N 3.12Å; K287-Q290 PolarHBondContact O-N 3.43Å; K287-N291 CarbonylContact O-C 3.51Å; K287-N291 PolarHBondContact O-N 2.92Å; K287-Y295 HydrophobicContact CB-CD2 3.91Å; K287-Y295 HydrophobicContact CB-CG 4.5Å; K287-Y295 HydrophobicContact CD-CD2 4.27Å; K287-E298 WeakPolarHBondContact CE-OE2 3.3Å; K287-E298 IonicContact NZ-OE1 2.79Å; K287-E298 PolarHBondContact NZ-OE1 3.44Å; K287-E298 IonicContact NZ-OE2 3.77Å; K287-E298 PolarHBondContact NZ-OE2 3.26Å |
| 288 | C | 96.6 | Very high | 97.6 | Very high | 17 Ų | 17 | 27.3 Ų | 27.3 | 12% | 0.115 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.7 | -34.9 | 175.9 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | T284 V286 L292 | T284-C288 WeakPolarHBondContact O-CB 3.34Å; T284-C288 PolarHBondContact O-N 2.83Å; T284-C288 PolarHBondContact O-SG 2.73Å; V286-C288 PolarHBondContact O-N 3.05Å; C288-L292 HydrophobicContact CB-CD1 4.05Å; C288-L292 PolarHBondContact O-N 3.11Å |
| 289 | T | 94.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 27.9 Ų | 27.9 | 10% | 0.098 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70 | -42.2 | 176.5 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | A248 L251 L252 F255 V285 V286 K287 | A248-T289 HydrophobicContact CB-CG2 4.13Å; L251-T289 HydrophobicContact CB-CG2 3.75Å; L251-T289 HydrophobicContact CD1-CG2 4.33Å; L252-T289 HydrophobicContact CD2-CG2 4.38Å; L252-T289 HydrophobicContact CG-CG2 4.25Å; F255-T289 HydrophobicContact CE2-CG2 3.9Å; V285-T289 WeakPolarHBondContact O-CB 3.4Å; V285-T289 PolarHBondContact O-N 3.49Å; V285-T289 PolarHBondContact O-OG1 2.94Å; V286-T289 WeakPolarHBondContact O-CB 3.48Å; V286-T289 PolarHBondContact O-N 3.43Å; V286-T289 VanDerWaalsContact O-N 3.13Å; K287-T289 VanDerWaalsContact C-N 3.29Å; K287-T289 PolarHBondContact O-N 3.12Å |
| 290 | Q | 95.4 | Very high | 97.8 | Very high | 84 Ų | 84 | 25.4 Ų | 25.4 | 39% | 0.393 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -70.3 | -54.7 | 178 | -71.5 | 169.3 | -26.3 | 0 | 0 | 112.5 | L252 F255 E267 V286 K287 | L252-Q290 HydrophobicContact CD2-CG 4.38Å; F255-Q290 HydrophobicContact CD2-CG 4.49Å; E267-Q290 PolarHBondContact OE1-NE2 3.14Å; E267-Q290 PolarHBondContact OE1-OE1 3.31Å; V286-Q290 HydrophobicContact CG1-CG 4.33Å; V286-Q290 WeakPolarHBondContact O-CG 3.43Å; V286-Q290 PolarHBondContact O-N 2.96Å; K287-Q290 PolarHBondContact O-N 3.43Å |
| 291 | N | 96.6 | Very high | 97.8 | Very high | 55 Ų | 55 | 24 Ų | 24 | 29% | 0.294 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -160.1 | 96.9 | 179.1 | -167.1 | -48 | 0 | 0 | 0 | 111.9 | K287 H293 S294 Y295 H332 | K287-N291 CarbonylContact O-C 3.51Å; K287-N291 PolarHBondContact O-N 2.92Å; N291-H293 VanDerWaalsContact C-N 3.29Å; N291-H293 PolarHBondContact O-N 3.31Å; N291-H293 PolarHBondContact OD1-N 3.05Å; N291-H293 VanDerWaalsContact OD1-N 3.11Å; N291-S294 WeakPolarHBondContact O-CB 3.31Å; N291-S294 PolarHBondContact O-N 2.75Å; N291-S294 VanDerWaalsContact O-N 3.14Å; N291-S294 WeakPolarHBondContact OD1-CB 3.5Å; N291-S294 PolarHBondContact OD1-N 3.31Å; N291-Y295 PolarHBondContact O-N 3.02Å; N291-H332 PolarHBondContact ND2-CE1 3.13Å |
| 292 | L | 96.9 | Very high | 97.8 | Very high | 45 Ų | 45 | 29.7 Ų | 29.7 | 24% | 0.236 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.2 | -38.9 | 178 | -171.9 | 63.6 | 0 | 0 | 0 | 113.9 | C288 Y295 F296 | C288-L292 HydrophobicContact CB-CD1 4.05Å; C288-L292 PolarHBondContact O-N 3.11Å; L292-Y295 WeakPolarHBondContact O-CB 3.3Å; L292-Y295 PolarHBondContact O-N 2.89Å; L292-F296 HydrophobicContact CD1-CD2 4.19Å; L292-F296 HydrophobicContact CD1-CE2 3.58Å; L292-F296 HydrophobicContact CD1-CZ 4.28Å; L292-F296 HydrophobicContact CD2-CE2 4.35Å; L292-F296 HydrophobicContact CG-CD2 4.08Å; L292-F296 HydrophobicContact CG-CE2 3.73Å; L292-F296 WeakPolarHBondContact O-CD2 3.38Å; L292-F296 PolarHBondContact O-N 3.1Å; L292-F296 VanDerWaalsContact O-N 3.12Å |
| 293 | H | 98.3 | Very high | 97.8 | Very high | 51 Ų | 51 | 29.8 Ų | 29.8 | 24% | 0.236 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71 | -38 | -179.5 | -43 | -54.3 | 0 | 0 | 0 | 111.5 | N291 F296 A297 D325 L328 I329 | N291-H293 VanDerWaalsContact C-N 3.29Å; N291-H293 PolarHBondContact O-N 3.31Å; N291-H293 PolarHBondContact OD1-N 3.05Å; N291-H293 VanDerWaalsContact OD1-N 3.11Å; H293-F296 PolarHBondContact O-N 3.28Å; H293-A297 WeakPolarHBondContact O-CB 3.46Å; H293-A297 PolarHBondContact O-N 3.06Å; H293-D325 IonicContact CE1-OD2 3.61Å; H293-D325 PolarHBondContact CE1-OD2 3.2Å; H293-D325 VanDerWaalsContact CE1-OD2 3.31Å; H293-D325 IonicContact CG-OD2 2.67Å; H293-D325 IonicContact ND1-OD2 3.91Å; H293-D325 PolarHBondContact ND1-OD2 2.99Å; H293-L328 HydrophobicContact CB-CB 4.23Å; H293-I329 HydrophobicContact CB-CG1 4.24Å |
| 294 | S | 98.4 | Very high | 97.8 | Very high | 30 Ų | 30 | 29 Ų | 29 | 21% | 0.21 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.8 | -38.6 | 174.4 | -154.7 | 0 | 0 | 0 | 0 | 111.6 | N291 A297 E298 M336 | N291-S294 WeakPolarHBondContact O-CB 3.31Å; N291-S294 PolarHBondContact O-N 2.75Å; N291-S294 VanDerWaalsContact O-N 3.14Å; N291-S294 WeakPolarHBondContact OD1-CB 3.5Å; N291-S294 PolarHBondContact OD1-N 3.31Å; S294-A297 PolarHBondContact O-N 3.41Å; S294-E298 WeakPolarHBondContact O-CB 3.24Å; S294-E298 PolarHBondContact O-N 2.97Å; S294-M336 PolarHBondContact OG-SD 2.8Å |
| 295 | Y | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59 | -49.8 | 172.4 | 169.4 | -100.1 | 0 | 0 | 0 | 111.8 | E156 T284 K287 N291 L292 A297 E298 R299 | E156-Y295 HydrophobicContact CG-CE1 4.35Å; T284-Y295 HydrophobicContact CG2-CD2 4.46Å; T284-Y295 HydrophobicContact CG2-CE1 4.42Å; T284-Y295 HydrophobicContact CG2-CE2 3.6Å; T284-Y295 WeakPolarHBondContact CG2-OH 3.5Å; K287-Y295 HydrophobicContact CB-CD2 3.91Å; K287-Y295 HydrophobicContact CB-CG 4.5Å; K287-Y295 HydrophobicContact CD-CD2 4.27Å; N291-Y295 PolarHBondContact O-N 3.02Å; L292-Y295 WeakPolarHBondContact O-CB 3.3Å; L292-Y295 PolarHBondContact O-N 2.89Å; Y295-A297 VanDerWaalsContact C-N 3.34Å; Y295-A297 PolarHBondContact O-N 3.13Å; Y295-E298 WeakPolarHBondContact O-CB 3.25Å; Y295-E298 PolarHBondContact O-N 3.06Å; Y295-E298 VanDerWaalsContact O-N 3.17Å; Y295-R299 HydrophobicContact CD1-CG 4.31Å; Y295-R299 HydrophobicContact CD2-CG 4.29Å; Y295-R299 HydrophobicContact CE1-CG 3.76Å; Y295-R299 HydrophobicContact CE2-CG 3.75Å; Y295-R299 VanDerWaalsContact CZ-CG 3.47Å; Y295-R299 WeakPolarHBondContact O-CG 3.27Å; Y295-R299 PolarHBondContact O-N 3.19Å |
| 296 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.5 | -35.3 | 178.4 | -74.2 | -59.1 | 0 | 0 | 0 | 112.7 | S160 L292 H293 E298 R299 L300 N317 R321 I329 | S160-F296 WeakPolarHBondContact OG-CZ 3.43Å; L292-F296 HydrophobicContact CD1-CD2 4.19Å; L292-F296 HydrophobicContact CD1-CE2 3.58Å; L292-F296 HydrophobicContact CD1-CZ 4.28Å; L292-F296 HydrophobicContact CD2-CE2 4.35Å; L292-F296 HydrophobicContact CG-CD2 4.08Å; L292-F296 HydrophobicContact CG-CE2 3.73Å; L292-F296 WeakPolarHBondContact O-CD2 3.38Å; L292-F296 PolarHBondContact O-N 3.1Å; L292-F296 VanDerWaalsContact O-N 3.12Å; H293-F296 PolarHBondContact O-N 3.28Å; F296-E298 VanDerWaalsContact C-N 3.31Å; F296-E298 PolarHBondContact O-N 3.24Å; F296-R299 PolarHBondContact O-N 2.94Å; F296-L300 WeakPolarHBondContact O-CB 3.18Å; F296-L300 VanDerWaalsContact O-CG 3.27Å; F296-L300 WeakPolarHBondContact O-CG 3.32Å; F296-L300 PolarHBondContact O-N 2.89Å; F296-N317 WeakPolarHBondContact CD1-OD1 3.49Å; F296-N317 WeakPolarHBondContact CE1-OD1 3.45Å; F296-R321 HydrophobicContact CD1-CG 4.38Å; F296-R321 HydrophobicContact CD2-CG 4.24Å; F296-R321 HydrophobicContact CE1-CG 4.44Å; F296-R321 HydrophobicContact CE2-CG 4.31Å; F296-R321 HydrophobicContact CG-CG 4.29Å; F296-R321 HydrophobicContact CZ-CG 4.4Å; F296-I329 HydrophobicContact CB-CD1 3.58Å; F296-I329 HydrophobicContact CB-CG1 3.9Å; F296-I329 HydrophobicContact CB-CG2 4.19Å; F296-I329 HydrophobicContact CD2-CD1 4.06Å; F296-I329 HydrophobicContact CG-CD1 4.06Å |
| 297 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H293 S294 Y295 L300 Y301 I329 H332 F333 M336 | H293-A297 WeakPolarHBondContact O-CB 3.46Å; H293-A297 PolarHBondContact O-N 3.06Å; S294-A297 PolarHBondContact O-N 3.41Å; Y295-A297 VanDerWaalsContact C-N 3.34Å; Y295-A297 PolarHBondContact O-N 3.13Å; A297-L300 PolarHBondContact O-N 3.49Å; A297-Y301 WeakPolarHBondContact O-CB 3.39Å; A297-Y301 PolarHBondContact O-N 3.25Å; A297-I329 HydrophobicContact CB-CG2 4.24Å; A297-H332 HydrophobicContact CB-CB 4.03Å; A297-F333 HydrophobicContact CB-CB 3.97Å; A297-F333 HydrophobicContact CB-CD2 4.29Å; A297-F333 WeakPolarHBondContact O-CD2 3.37Å; A297-M336 HydrophobicContact CB-SD 4.02Å |
| 298 | E | 98.7 | Very high | 97 | Very high | 42 Ų | 42 | 42.3 Ų | 42.3 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 175.7 | -158.5 | -159.1 | 109.9 | 0 | 0 | 112.4 | K287 S294 Y295 F296 L300 Y301 Y302 M336 Y337 | K287-E298 WeakPolarHBondContact CE-OE2 3.3Å; K287-E298 IonicContact NZ-OE1 2.79Å; K287-E298 PolarHBondContact NZ-OE1 3.44Å; K287-E298 IonicContact NZ-OE2 3.77Å; K287-E298 PolarHBondContact NZ-OE2 3.26Å; S294-E298 WeakPolarHBondContact O-CB 3.24Å; S294-E298 PolarHBondContact O-N 2.97Å; Y295-E298 WeakPolarHBondContact O-CB 3.25Å; Y295-E298 PolarHBondContact O-N 3.06Å; Y295-E298 VanDerWaalsContact O-N 3.17Å; F296-E298 VanDerWaalsContact C-N 3.31Å; F296-E298 PolarHBondContact O-N 3.24Å; E298-L300 PolarHBondContact O-N 2.83Å; E298-Y301 PolarHBondContact O-N 3.44Å; E298-Y302 HydrophobicContact CG-CD2 3.82Å; E298-Y302 HydrophobicContact CG-CE2 3.69Å; E298-Y302 WeakPolarHBondContact O-CD2 3.32Å; E298-Y302 PolarHBondContact O-N 3.41Å; E298-M336 HydrophobicContact CB-CE 4.27Å; E298-Y337 WeakPolarHBondContact CA-OH 3.41Å; E298-Y337 WeakPolarHBondContact CG-OH 3.29Å |
| 299 | R | 98.6 | Very high | 97.1 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 13% | 0.125 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.6 | -71 | -66 | -70.6 | -164.3 | -12.4 | 112.5 | G152 E156 E280 Y295 F296 A303 | G152-R299 PolarHBondContact O-NH2 3.36Å; E156-R299 IonicContact OE2-CZ 2.73Å; E156-R299 VanDerWaalsContact OE2-CZ 3.23Å; E156-R299 IonicContact OE2-NE 3.47Å; E156-R299 PolarHBondContact OE2-NE 3.41Å; E156-R299 IonicContact OE2-NH2 2.75Å; E156-R299 PolarHBondContact OE2-NH2 3.25Å; E280-R299 IonicContact OE1-CZ 2.76Å; E280-R299 IonicContact OE1-NH1 3.8Å; E280-R299 PolarHBondContact OE1-NH1 3.39Å; Y295-R299 HydrophobicContact CD1-CG 4.31Å; Y295-R299 HydrophobicContact CD2-CG 4.29Å; Y295-R299 HydrophobicContact CE1-CG 3.76Å; Y295-R299 HydrophobicContact CE2-CG 3.75Å; Y295-R299 VanDerWaalsContact CZ-CG 3.47Å; Y295-R299 WeakPolarHBondContact O-CG 3.27Å; Y295-R299 PolarHBondContact O-N 3.19Å; F296-R299 PolarHBondContact O-N 2.94Å; R299-A303 WeakPolarHBondContact O-CB 3.41Å; R299-A303 PolarHBondContact O-N 2.95Å |
| 300 | L | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 174.9 | -70 | 169.8 | 0 | 0 | 0 | 111.4 | F296 A297 E298 A303 M304 L314 N317 I318 I329 F333 L341 | F296-L300 WeakPolarHBondContact O-CB 3.18Å; F296-L300 VanDerWaalsContact O-CG 3.27Å; F296-L300 WeakPolarHBondContact O-CG 3.32Å; F296-L300 PolarHBondContact O-N 2.89Å; A297-L300 PolarHBondContact O-N 3.49Å; E298-L300 PolarHBondContact O-N 2.83Å; L300-A303 WeakPolarHBondContact O-CB 3.33Å; L300-A303 PolarHBondContact O-N 3.24Å; L300-M304 VanDerWaalsContact O-CE 3.3Å; L300-M304 WeakPolarHBondContact O-CE 3.3Å; L300-M304 PolarHBondContact O-N 2.68Å; L300-L314 HydrophobicContact CD2-CD1 3.78Å; L300-N317 HydrophobicContact CD2-CB 3.83Å; L300-N317 HydrophobicContact CG-CB 4.34Å; L300-I318 HydrophobicContact CD2-CD1 4.31Å; L300-I318 HydrophobicContact CD2-CG1 3.84Å; L300-I329 HydrophobicContact CD1-CG2 3.63Å; L300-F333 HydrophobicContact CB-CD2 4.35Å; L300-F333 HydrophobicContact CB-CE2 4.11Å; L300-L341 HydrophobicContact CB-CD1 4.14Å; L300-L341 HydrophobicContact CD1-CD1 4.07Å; L300-L341 HydrophobicContact CD1-CD2 3.96Å |
| 301 | Y | 98.6 | Very high | 97.3 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.5 | -50.1 | 177.9 | 175.4 | -105.1 | 0 | 0 | 0 | 111.6 | A297 E298 A303 M304 K305 F333 Y337 M344 | A297-Y301 WeakPolarHBondContact O-CB 3.39Å; A297-Y301 PolarHBondContact O-N 3.25Å; E298-Y301 PolarHBondContact O-N 3.44Å; Y301-A303 PolarHBondContact O-N 3.22Å; Y301-M304 CarbonylContact O-C 3.53Å; Y301-M304 PolarHBondContact O-N 2.89Å; Y301-M304 VanDerWaalsContact O-N 3.11Å; Y301-K305 HydrophobicContact CD1-CB 4.47Å; Y301-K305 HydrophobicContact CD1-CD 4.38Å; Y301-K305 HydrophobicContact CE1-CB 4.25Å; Y301-K305 HydrophobicContact CE1-CD 3.55Å; Y301-K305 HydrophobicContact CE1-CG 4.18Å; Y301-K305 VanDerWaalsContact O-CB 3.29Å; Y301-K305 WeakPolarHBondContact O-CB 3.43Å; Y301-K305 PolarHBondContact O-N 3.16Å; Y301-K305 VanDerWaalsContact OH-CE 3.28Å; Y301-K305 WeakPolarHBondContact OH-CE 3.26Å; Y301-K305 PolarHBondContact OH-NZ 3.39Å; Y301-F333 HydrophobicContact CD2-CZ 4.31Å; Y301-Y337 AromaticContact CD1-CD1 4Å; Y301-Y337 HydrophobicContact CD1-CD1 4Å; Y301-Y337 AromaticContact CD1-CE1 3.39Å; Y301-Y337 HydrophobicContact CD1-CE1 3.39Å; Y301-Y337 HydrophobicContact CD1-CE2 4.15Å; Y301-Y337 AromaticContact CD1-CZ 3.48Å; Y301-Y337 VanDerWaalsContact CD1-CZ 3.48Å; Y301-Y337 AromaticContact CD2-CD1 3.71Å; Y301-Y337 HydrophobicContact CD2-CD1 3.71Å; Y301-Y337 AromaticContact CD2-CD2 3.83Å; Y301-Y337 HydrophobicContact CD2-CD2 3.83Å; Y301-Y337 AromaticContact CD2-CE1 3.94Å; Y301-Y337 HydrophobicContact CD2-CE1 3.94Å; Y301-Y337 HydrophobicContact CD2-CE2 4.05Å; Y301-Y337 AromaticContact CD2-CG 3.66Å; Y301-Y337 HydrophobicContact CD2-CG 3.66Å; Y301-Y337 AromaticContact CE1-CD1 3.94Å; Y301-Y337 HydrophobicContact CE1-CD1 3.94Å; Y301-Y337 AromaticContact CE1-CE1 3.56Å; Y301-Y337 HydrophobicContact CE1-CE1 3.56Å; Y301-Y337 AromaticContact CE2-CD1 3.7Å; Y301-Y337 HydrophobicContact CE2-CD1 3.7Å; Y301-Y337 HydrophobicContact CE2-CE1 4.13Å; Y301-Y337 AromaticContact CE2-CG 3.95Å; Y301-Y337 HydrophobicContact CE2-CG 3.95Å; Y301-Y337 AromaticContact CG-CD1 3.87Å; Y301-Y337 HydrophobicContact CG-CD1 3.87Å; Y301-Y337 AromaticContact CG-CD2 3.89Å; Y301-Y337 HydrophobicContact CG-CD2 3.89Å; Y301-Y337 AromaticContact CG-CE1 3.59Å; Y301-Y337 HydrophobicContact CG-CE1 3.59Å; Y301-Y337 AromaticContact CG-CE2 3.61Å; Y301-Y337 HydrophobicContact CG-CE2 3.61Å; Y301-Y337 HydrophobicContact CG-CG 4.03Å; Y301-Y337 AromaticContact CG-CZ 3.44Å; Y301-Y337 VanDerWaalsContact CG-CZ 3.44Å; Y301-Y337 AromaticContact CZ-CD1 3.82Å; Y301-Y337 AromaticContact CZ-CE1 3.95Å; Y301-M344 HydrophobicContact CD2-CE 3.84Å; Y301-M344 HydrophobicContact CD2-SD 3.64Å; Y301-M344 HydrophobicContact CE2-CE 3.92Å; Y301-M344 HydrophobicContact CE2-SD 4.03Å |
| 302 | Y | 98.3 | Very high | 97.4 | Very high | 120 Ų | 120 | 45.4 Ų | 45.4 | 47% | 0.471 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.5 | -12.3 | 176.1 | -74.3 | -72.7 | 0 | 0 | 0 | 114.5 | E298 M304 K305 | E298-Y302 HydrophobicContact CG-CD2 3.82Å; E298-Y302 HydrophobicContact CG-CE2 3.69Å; E298-Y302 WeakPolarHBondContact O-CD2 3.32Å; E298-Y302 PolarHBondContact O-N 3.41Å; Y302-M304 VanDerWaalsContact C-N 3.32Å; Y302-K305 HydrophobicContact CD1-CB 4.49Å; Y302-K305 HydrophobicContact CD1-CD 4.02Å; Y302-K305 HydrophobicContact CE1-CD 3.92Å |
| 303 | A | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -73.7 | -25 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R299 L300 Y301 T309 R310 T313 L314 | R299-A303 WeakPolarHBondContact O-CB 3.41Å; R299-A303 PolarHBondContact O-N 2.95Å; L300-A303 WeakPolarHBondContact O-CB 3.33Å; L300-A303 PolarHBondContact O-N 3.24Å; Y301-A303 PolarHBondContact O-N 3.22Å; A303-T309 CarbonylContact O-C 3.59Å; A303-T309 WeakPolarHBondContact O-CA 3.47Å; A303-T309 WeakPolarHBondContact O-CG2 3.42Å; A303-R310 HydrophobicContact CB-CB 4.33Å; A303-R310 PolarHBondContact O-N 3.22Å; A303-T313 HydrophobicContact CB-CG2 4.01Å; A303-L314 HydrophobicContact CB-CB 4.25Å |
| 304 | M | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -110.9 | -16.1 | 179.7 | -69.1 | 177 | -67.2 | 0 | 0 | 113 | L300 Y301 Y302 G306 T309 L314 F333 L341 M344 I345 D348 | L300-M304 VanDerWaalsContact O-CE 3.3Å; L300-M304 WeakPolarHBondContact O-CE 3.3Å; L300-M304 PolarHBondContact O-N 2.68Å; Y301-M304 CarbonylContact O-C 3.53Å; Y301-M304 PolarHBondContact O-N 2.89Å; Y301-M304 VanDerWaalsContact O-N 3.11Å; Y302-M304 VanDerWaalsContact C-N 3.32Å; M304-G306 PolarHBondContact O-N 2.97Å; M304-T309 HydrophobicContact CG-CG2 3.94Å; M304-L314 HydrophobicContact CE-CD1 4.12Å; M304-L314 HydrophobicContact CG-CD1 4.37Å; M304-L314 HydrophobicContact CG-CD2 4.06Å; M304-L314 HydrophobicContact SD-CD1 4.01Å; M304-L314 HydrophobicContact SD-CD2 4.08Å; M304-F333 HydrophobicContact CE-CE2 4.39Å; M304-F333 HydrophobicContact CE-CZ 4.25Å; M304-L341 HydrophobicContact CE-CD1 3.84Å; M304-M344 HydrophobicContact CB-CE 3.6Å; M304-M344 HydrophobicContact CB-CG 3.92Å; M304-M344 HydrophobicContact CB-SD 4.22Å; M304-M344 HydrophobicContact CE-CB 3.97Å; M304-M344 HydrophobicContact CE-CG 3.84Å; M304-M344 HydrophobicContact CE-SD 4.26Å; M304-M344 HydrophobicContact SD-CB 4.2Å; M304-M344 HydrophobicContact SD-CG 3.93Å; M304-I345 HydrophobicContact CE-CG1 4.29Å; M304-I345 HydrophobicContact SD-CG1 3.78Å; M304-D348 VanDerWaalsContact CA-OD2 3.27Å; M304-D348 WeakPolarHBondContact CA-OD2 3.24Å; M304-D348 HydrophobicContact CB-CB 4.26Å; M304-D348 WeakPolarHBondContact CB-OD2 3.44Å; M304-D348 HydrophobicContact CG-CB 4.05Å; M304-D348 HydrophobicContact SD-CB 4.3Å |
| 305 | K | 96.4 | Very high | 97.5 | Very high | 106 Ų | 106 | 40.5 Ų | 40.5 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -76.7 | 111.3 | -179.3 | -169.8 | -162.3 | -164.7 | 163 | 0 | 111.4 | Y301 Y302 M344 | Y301-K305 HydrophobicContact CD1-CB 4.47Å; Y301-K305 HydrophobicContact CD1-CD 4.38Å; Y301-K305 HydrophobicContact CE1-CB 4.25Å; Y301-K305 HydrophobicContact CE1-CD 3.55Å; Y301-K305 HydrophobicContact CE1-CG 4.18Å; Y301-K305 VanDerWaalsContact O-CB 3.29Å; Y301-K305 WeakPolarHBondContact O-CB 3.43Å; Y301-K305 PolarHBondContact O-N 3.16Å; Y301-K305 VanDerWaalsContact OH-CE 3.28Å; Y301-K305 WeakPolarHBondContact OH-CE 3.26Å; Y301-K305 PolarHBondContact OH-NZ 3.39Å; Y302-K305 HydrophobicContact CD1-CB 4.49Å; Y302-K305 HydrophobicContact CD1-CD 4.02Å; Y302-K305 HydrophobicContact CE1-CD 3.92Å; K305-M344 HydrophobicContact CB-CE 4.25Å |
| 306 | G | 93.9 | Very high | 97.5 | Very high | 66 Ų | 66 | 40.4 Ų | 40.4 | 68% | 0.68 | 23% | 0.234 | S | C | * | . | S | Bend | trans | 131 | -142.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113 | M304 G308 | M304-G306 PolarHBondContact O-N 2.97Å; G306-G308 PolarHBondContact O-N 3.32Å |
| 307 | A | 91.5 | Very high | 97.5 | Very high | 116 Ų | 116 | 40.5 Ų | 40.5 | 96% | 0.959 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -85.9 | 99.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 308 | G | 93.6 | Very high | 97.5 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 57% | 0.567 | 23% | 0.234 | S | C | * | . | S | Bend | trans | 75.6 | -175.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G306 | G306-G308 PolarHBondContact O-N 3.32Š|
| 309 | T | 96.7 | Very high | 97.5 | Very high | 27 Ų | 27 | 39 Ų | 39 | 17% | 0.166 | 23% | 0.228 | C | C | . | . | trans | -121.9 | 135.1 | -165.9 | -42.6 | 0 | 0 | 0 | 0 | 111.2 | A303 M304 D311 L314 D348 | A303-T309 CarbonylContact O-C 3.59Å; A303-T309 WeakPolarHBondContact O-CA 3.47Å; A303-T309 WeakPolarHBondContact O-CG2 3.42Å; M304-T309 HydrophobicContact CG-CG2 3.94Å; T309-D311 PolarHBondContact O-N 3.03Å; T309-L314 HydrophobicContact CG2-CD2 3.87Å; T309-D348 PolarHBondContact OG1-OD2 3.5Å | ||
| 310 | R | 97.6 | Very high | 97.4 | Very high | 171 Ų | 171 | 38.2 Ų | 38.2 | 65% | 0.645 | 23% | 0.228 | S | C | * | . | trans | -80.9 | 69.3 | 170.5 | -64.3 | -177.7 | 173.6 | -169.3 | -2.5 | 109.9 | A303 G312 T313 L314 | A303-R310 HydrophobicContact CB-CB 4.33Å; A303-R310 PolarHBondContact O-N 3.22Å; R310-G312 PolarHBondContact O-N 3.07Å; R310-T313 WeakPolarHBondContact O-CB 3.5Å; R310-T313 PolarHBondContact O-N 2.73Å; R310-L314 PolarHBondContact O-N 3.47Å; R310-L314 VanDerWaalsContact O-N 3.12Å | ||
| 311 | D | 98.1 | Very high | 97.4 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.1 | -32.3 | -170.4 | -57.4 | -74.6 | 0 | 0 | 0 | 114.2 | K120 T309 L314 I315 Y353 | K120-D311 WeakPolarHBondContact CD-OD1 2.94Å; K120-D311 VanDerWaalsContact CE-CG 3.41Å; K120-D311 WeakPolarHBondContact CE-OD1 3.39Å; K120-D311 WeakPolarHBondContact CE-OD2 3.2Å; K120-D311 IonicContact NZ-OD1 3.5Å; K120-D311 PolarHBondContact NZ-OD1 3.42Å; K120-D311 IonicContact NZ-OD2 3.58Å; K120-D311 PolarHBondContact NZ-OD2 2.67Å; T309-D311 PolarHBondContact O-N 3.03Å; D311-L314 PolarHBondContact O-N 2.96Å; D311-I315 HydrophobicContact CB-CD1 4.45Å; D311-I315 VanDerWaalsContact O-CB 3.29Å; D311-I315 WeakPolarHBondContact O-CB 3.27Å; D311-I315 WeakPolarHBondContact O-CD1 3.44Å; D311-I315 WeakPolarHBondContact O-CG1 3.41Å; D311-I315 PolarHBondContact O-N 3.29Å; D311-Y353 WeakPolarHBondContact OD1-CE1 3.49Å; D311-Y353 PolarHBondContact OD1-OH 2.66Å |
| 312 | G | 98.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R310 R316 | R310-G312 PolarHBondContact O-N 3.07Å; G312-R316 VanDerWaalsContact O-CB 3.23Å; G312-R316 WeakPolarHBondContact O-CB 3.43Å; G312-R316 PolarHBondContact O-N 2.76Å |
| 313 | T | 98.5 | Very high | 97 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 13% | 0.129 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.5 | -40.1 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | A303 R310 N317 | A303-T313 HydrophobicContact CB-CG2 4.01Å; R310-T313 WeakPolarHBondContact O-CB 3.5Å; R310-T313 PolarHBondContact O-N 2.73Å; T313-N317 WeakPolarHBondContact CG2-ND2 3.2Å; T313-N317 WeakPolarHBondContact O-CB 3.47Å; T313-N317 PolarHBondContact O-N 3.16Å; T313-N317 VanDerWaalsContact O-N 3.14Å; T313-N317 PolarHBondContact O-ND2 2.75Å |
| 314 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -50.5 | 177.6 | -177.2 | 58.5 | 0 | 0 | 0 | 111.7 | L300 A303 M304 T309 R310 D311 I318 T349 L357 | L300-L314 HydrophobicContact CD2-CD1 3.78Å; A303-L314 HydrophobicContact CB-CB 4.25Å; M304-L314 HydrophobicContact CE-CD1 4.12Å; M304-L314 HydrophobicContact CG-CD1 4.37Å; M304-L314 HydrophobicContact CG-CD2 4.06Å; M304-L314 HydrophobicContact SD-CD1 4.01Å; M304-L314 HydrophobicContact SD-CD2 4.08Å; T309-L314 HydrophobicContact CG2-CD2 3.87Å; R310-L314 PolarHBondContact O-N 3.47Å; R310-L314 VanDerWaalsContact O-N 3.12Å; D311-L314 PolarHBondContact O-N 2.96Å; L314-I318 HydrophobicContact CD1-CD1 3.55Å; L314-I318 HydrophobicContact CD1-CG1 4.39Å; L314-I318 HydrophobicContact CG-CD1 4.13Å; L314-I318 WeakPolarHBondContact O-CB 3.26Å; L314-I318 WeakPolarHBondContact O-CG1 3.24Å; L314-I318 PolarHBondContact O-N 2.91Å; L314-I318 VanDerWaalsContact O-N 3.1Å; L314-T349 HydrophobicContact CD2-CG2 4.07Å; L314-L357 HydrophobicContact CD2-CD1 3.84Å; L314-L357 HydrophobicContact CG-CD1 4.25Å |
| 315 | I | 98.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -54.3 | 177.6 | -69 | 166.4 | 0 | 0 | 0 | 110.2 | R123 L124 A127 D311 N317 I318 V319 Y353 | R123-I315 HydrophobicContact CB-CD1 4.03Å; L124-I315 HydrophobicContact CB-CD1 4.31Å; L124-I315 HydrophobicContact CB-CG1 4.31Å; L124-I315 HydrophobicContact CD1-CG1 4.31Å; L124-I315 HydrophobicContact CD1-CG2 3.99Å; A127-I315 HydrophobicContact CB-CG2 3.87Å; D311-I315 HydrophobicContact CB-CD1 4.45Å; D311-I315 VanDerWaalsContact O-CB 3.29Å; D311-I315 WeakPolarHBondContact O-CB 3.27Å; D311-I315 WeakPolarHBondContact O-CD1 3.44Å; D311-I315 WeakPolarHBondContact O-CG1 3.41Å; D311-I315 PolarHBondContact O-N 3.29Å; I315-N317 PolarHBondContact O-N 3.26Å; I315-I318 PolarHBondContact O-N 2.83Å; I315-V319 HydrophobicContact CG2-CG2 4.07Å; I315-V319 WeakPolarHBondContact O-CB 3.34Å; I315-V319 VanDerWaalsContact O-CG2 3.27Å; I315-V319 WeakPolarHBondContact O-CG2 3.45Å; I315-V319 PolarHBondContact O-N 3.48Å; I315-Y353 HydrophobicContact CD1-CE2 3.79Å; I315-Y353 HydrophobicContact CG1-CE2 3.73Å |
| 316 | R | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | -173.6 | -178.3 | 176.6 | 55.8 | -98.8 | -8.1 | 112.4 | Y135 E139 E156 G312 S320 | Y135-R316 HydrophobicContact CE1-CB 4.35Å; Y135-R316 HydrophobicContact CE1-CG 3.96Å; Y135-R316 VanDerWaalsContact OH-CA 3.31Å; Y135-R316 WeakPolarHBondContact OH-CA 3.48Å; E139-R316 HydrophobicContact CG-CG 4.16Å; E139-R316 WeakPolarHBondContact OE2-CD 3.4Å; E139-R316 IonicContact OE2-CZ 2.61Å; E139-R316 IonicContact OE2-NE 3.31Å; E139-R316 IonicContact OE2-NH1 2.81Å; E139-R316 PolarHBondContact OE2-NH1 3.04Å; E156-R316 IonicContact OE1-CZ 2.65Å; E156-R316 IonicContact OE1-NE 2.66Å; E156-R316 PolarHBondContact OE1-NE 3.05Å; E156-R316 IonicContact OE1-NH2 2.59Å; E156-R316 PolarHBondContact OE1-NH2 3.26Å; E156-R316 IonicContact OE2-NH2 3.14Å; G312-R316 VanDerWaalsContact O-CB 3.23Å; G312-R316 WeakPolarHBondContact O-CB 3.43Å; G312-R316 PolarHBondContact O-N 2.76Å; R316-S320 VanDerWaalsContact O-CB 3.29Å; R316-S320 WeakPolarHBondContact O-CB 3.08Å; R316-S320 PolarHBondContact O-N 3.3Å; R316-S320 PolarHBondContact O-OG 2.87Å |
| 317 | N | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.3 | -35.2 | -179 | -71.6 | -67.7 | 0 | 0 | 0 | 112.8 | E156 F296 L300 T313 I315 R321 | E156-N317 VanDerWaalsContact CD-ND2 3.32Å; E156-N317 PolarHBondContact OE1-ND2 2.91Å; E156-N317 PolarHBondContact OE1-OD1 2.86Å; E156-N317 PolarHBondContact OE2-ND2 2.86Å; F296-N317 WeakPolarHBondContact CD1-OD1 3.49Å; F296-N317 WeakPolarHBondContact CE1-OD1 3.45Å; L300-N317 HydrophobicContact CD2-CB 3.83Å; L300-N317 HydrophobicContact CG-CB 4.34Å; T313-N317 WeakPolarHBondContact CG2-ND2 3.2Å; T313-N317 WeakPolarHBondContact O-CB 3.47Å; T313-N317 PolarHBondContact O-N 3.16Å; T313-N317 VanDerWaalsContact O-N 3.14Å; T313-N317 PolarHBondContact O-ND2 2.75Å; I315-N317 PolarHBondContact O-N 3.26Å; N317-R321 VanDerWaalsContact O-CB 3.31Å; N317-R321 WeakPolarHBondContact O-CB 3.45Å; N317-R321 VanDerWaalsContact O-CG 3.23Å; N317-R321 WeakPolarHBondContact O-CG 3.46Å; N317-R321 PolarHBondContact O-N 3.31Å |
| 318 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.4 | -46.9 | 172.9 | -71.5 | 172.2 | 0 | 0 | 0 | 110.6 | L300 L314 I315 S322 L326 I345 L357 L360 V361 | L300-I318 HydrophobicContact CD2-CD1 4.31Å; L300-I318 HydrophobicContact CD2-CG1 3.84Å; L314-I318 HydrophobicContact CD1-CD1 3.55Å; L314-I318 HydrophobicContact CD1-CG1 4.39Å; L314-I318 HydrophobicContact CG-CD1 4.13Å; L314-I318 WeakPolarHBondContact O-CB 3.26Å; L314-I318 WeakPolarHBondContact O-CG1 3.24Å; L314-I318 PolarHBondContact O-N 2.91Å; L314-I318 VanDerWaalsContact O-N 3.1Å; I315-I318 PolarHBondContact O-N 2.83Å; I318-S322 VanDerWaalsContact O-CB 3.29Å; I318-S322 WeakPolarHBondContact O-CB 3.46Å; I318-S322 PolarHBondContact O-N 3.06Å; I318-L326 HydrophobicContact CG2-CD2 4.48Å; I318-I345 HydrophobicContact CD1-CD1 3.8Å; I318-L357 HydrophobicContact CD1-CD2 3.87Å; I318-L357 HydrophobicContact CG2-CD2 4.39Å; I318-L360 HydrophobicContact CG2-CB 4.1Å; I318-L360 HydrophobicContact CG2-CD1 4.19Å; I318-V361 HydrophobicContact CD1-CG2 4.21Å; I318-V361 HydrophobicContact CG2-CG2 4.46Å |
| 319 | V | 98.3 | Very high | 97.4 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 7% | 0.067 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -52.6 | -178.9 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L124 A127 L128 Y135 I315 R321 S322 | L124-V319 HydrophobicContact CD1-CG2 3.73Å; A127-V319 HydrophobicContact CB-CG1 4.39Å; A127-V319 HydrophobicContact CB-CG2 4.12Å; L128-V319 HydrophobicContact CD2-CG1 4.34Å; L128-V319 HydrophobicContact CD2-CG2 4.02Å; L128-V319 HydrophobicContact CG-CG2 4.47Å; Y135-V319 HydrophobicContact CD1-CG1 3.98Å; Y135-V319 HydrophobicContact CE1-CB 4.05Å; Y135-V319 HydrophobicContact CE1-CG1 3.77Å; I315-V319 HydrophobicContact CG2-CG2 4.07Å; I315-V319 WeakPolarHBondContact O-CB 3.34Å; I315-V319 VanDerWaalsContact O-CG2 3.27Å; I315-V319 WeakPolarHBondContact O-CG2 3.45Å; I315-V319 PolarHBondContact O-N 3.48Å; V319-R321 VanDerWaalsContact C-N 3.3Å; V319-R321 PolarHBondContact O-N 3.01Å; V319-S322 PolarHBondContact O-N 3.46Å; V319-S322 PolarHBondContact O-OG 3.47Å |
| 320 | S | 97.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 12% | 0.119 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.1 | -22.8 | -174 | 72.7 | 0 | 0 | 0 | 0 | 114.3 | R161 R316 I324 | R161-S320 PolarHBondContact NH2-OG 3.1Å; R316-S320 VanDerWaalsContact O-CB 3.29Å; R316-S320 WeakPolarHBondContact O-CB 3.08Å; R316-S320 PolarHBondContact O-N 3.3Å; R316-S320 PolarHBondContact O-OG 2.87Å; S320-I324 WeakPolarHBondContact O-CD1 3.24Å |
| 321 | R | 98.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -101.3 | -9.9 | -179.4 | -52.4 | -48.5 | -64.7 | -161.6 | -10 | 114.2 | F296 N317 V319 E323 I324 D325 L326 I329 | F296-R321 HydrophobicContact CD1-CG 4.38Å; F296-R321 HydrophobicContact CD2-CG 4.24Å; F296-R321 HydrophobicContact CE1-CG 4.44Å; F296-R321 HydrophobicContact CE2-CG 4.31Å; F296-R321 HydrophobicContact CG-CG 4.29Å; F296-R321 HydrophobicContact CZ-CG 4.4Å; N317-R321 VanDerWaalsContact O-CB 3.31Å; N317-R321 WeakPolarHBondContact O-CB 3.45Å; N317-R321 VanDerWaalsContact O-CG 3.23Å; N317-R321 WeakPolarHBondContact O-CG 3.46Å; N317-R321 PolarHBondContact O-N 3.31Å; V319-R321 VanDerWaalsContact C-N 3.3Å; V319-R321 PolarHBondContact O-N 3.01Å; R321-E323 VanDerWaalsContact C-N 3.29Å; R321-E323 PolarHBondContact O-N 3.26Å; R321-I324 PolarHBondContact O-N 3.24Å; R321-D325 IonicContact CZ-OD1 3.86Å; R321-D325 IonicContact CZ-OD2 2.82Å; R321-D325 IonicContact NE-OD1 2.65Å; R321-D325 PolarHBondContact NE-OD1 3.27Å; R321-D325 IonicContact NE-OD2 2.71Å; R321-D325 IonicContact NH2-OD1 3.06Å; R321-D325 PolarHBondContact NH2-OD1 3.4Å; R321-D325 VanDerWaalsContact NH2-OD1 3.12Å; R321-D325 IonicContact NH2-OD2 3.29Å; R321-D325 PolarHBondContact NH2-OD2 2.94Å; R321-D325 PolarHBondContact O-N 3.45Å; R321-D325 VanDerWaalsContact O-N 3.17Å; R321-L326 PolarHBondContact O-N 2.75Å; R321-I329 HydrophobicContact CB-CD1 3.67Å; R321-I329 HydrophobicContact CG-CD1 3.79Å |
| 322 | S | 94.9 | Very high | 97.6 | Very high | 27 Ų | 27 | 24.5 Ų | 24.5 | 19% | 0.189 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -40.6 | -175.8 | 56.9 | 0 | 0 | 0 | 0 | 114.8 | I318 V319 | I318-S322 VanDerWaalsContact O-CB 3.29Å; I318-S322 WeakPolarHBondContact O-CB 3.46Å; I318-S322 PolarHBondContact O-N 3.06Å; V319-S322 PolarHBondContact O-N 3.46Å; V319-S322 PolarHBondContact O-OG 3.47Å |
| 323 | E | 94.5 | Very high | 97.6 | Very high | 74 Ų | 74 | 23.7 Ų | 23.7 | 35% | 0.346 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 15.2 | -178.2 | -68.4 | 173 | -130.2 | 0 | 0 | 112.8 | S90 N91 R94 R321 | S90-E323 WeakPolarHBondContact CB-OE2 3.3Å; N91-E323 PolarHBondContact N-OE1 3.49Å; N91-E323 PolarHBondContact N-OE2 2.87Å; R94-E323 IonicContact CZ-OE1 3.14Å; R94-E323 IonicContact NH2-OE1 3.53Å; R94-E323 PolarHBondContact NH2-OE1 3.29Å; R321-E323 VanDerWaalsContact C-N 3.29Å; R321-E323 PolarHBondContact O-N 3.26Å |
| 324 | I | 94.4 | Very high | 97.6 | Very high | 75 Ų | 75 | 26.7 Ų | 26.7 | 39% | 0.385 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -69.3 | -177.4 | -52.7 | -179.7 | 0 | 0 | 0 | 111.5 | S320 R321 | S320-I324 WeakPolarHBondContact O-CD1 3.24Å; R321-I324 PolarHBondContact O-N 3.24Å |
| 325 | D | 96.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.032 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -151.7 | 17.1 | -165.9 | 65.7 | -21.2 | 0 | 0 | 0 | 114.1 | H293 R321 N327 L328 I329 | H293-D325 IonicContact CE1-OD2 3.61Å; H293-D325 PolarHBondContact CE1-OD2 3.2Å; H293-D325 VanDerWaalsContact CE1-OD2 3.31Å; H293-D325 IonicContact CG-OD2 2.67Å; H293-D325 IonicContact ND1-OD2 3.91Å; H293-D325 PolarHBondContact ND1-OD2 2.99Å; R321-D325 IonicContact CZ-OD1 3.86Å; R321-D325 IonicContact CZ-OD2 2.82Å; R321-D325 IonicContact NE-OD1 2.65Å; R321-D325 PolarHBondContact NE-OD1 3.27Å; R321-D325 IonicContact NE-OD2 2.71Å; R321-D325 IonicContact NH2-OD1 3.06Å; R321-D325 PolarHBondContact NH2-OD1 3.4Å; R321-D325 VanDerWaalsContact NH2-OD1 3.12Å; R321-D325 IonicContact NH2-OD2 3.29Å; R321-D325 PolarHBondContact NH2-OD2 2.94Å; R321-D325 PolarHBondContact O-N 3.45Å; R321-D325 VanDerWaalsContact O-N 3.17Å; D325-N327 WeakPolarHBondContact CA-OD1 3.47Å; D325-N327 PolarHBondContact O-N 3.3Å; D325-N327 VanDerWaalsContact O-N 3.1Å; D325-L328 HydrophobicContact CB-CD1 4.37Å; D325-L328 WeakPolarHBondContact O-CB 3.41Å; D325-L328 PolarHBondContact O-N 3.49Å; D325-I329 WeakPolarHBondContact O-CG1 3.44Å; D325-I329 PolarHBondContact O-N 3.42Å; D325-I329 WeakPolarHBondContact OD1-CD1 3.37Å |
| 326 | L | 97.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.2 | -30.7 | 179.4 | -173.3 | 59.8 | 0 | 0 | 0 | 112.9 | I318 R321 I329 K330 L341 | I318-L326 HydrophobicContact CG2-CD2 4.48Å; R321-L326 PolarHBondContact O-N 2.75Å; L326-I329 PolarHBondContact O-N 3.41Å; L326-K330 HydrophobicContact CG-CD 4.25Å; L326-K330 VanDerWaalsContact O-CD 3.27Å; L326-K330 WeakPolarHBondContact O-CD 3.39Å; L326-K330 WeakPolarHBondContact O-CG 3.28Å; L326-K330 PolarHBondContact O-N 2.92Å; L326-L341 HydrophobicContact CD1-CD2 4.26Å |
| 327 | N | 95.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 171.2 | 64.1 | -48.6 | 0 | 0 | 0 | 113.1 | W7 D325 C331 | W7-N327 HydrophobicContact CZ3-CB 4.22Å; W7-N327 WeakPolarHBondContact CZ3-ND2 3.39Å; D325-N327 WeakPolarHBondContact CA-OD1 3.47Å; D325-N327 PolarHBondContact O-N 3.3Å; D325-N327 VanDerWaalsContact O-N 3.1Å; N327-C331 PolarHBondContact O-N 2.75Å |
| 328 | L | 98.1 | Very high | 97.4 | Very high | 74 Ų | 74 | 43 Ų | 43 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.6 | -39 | 177.6 | -61.2 | 178.5 | 0 | 0 | 0 | 110.8 | H293 D325 K330 C331 H332 | H293-L328 HydrophobicContact CB-CB 4.23Å; D325-L328 HydrophobicContact CB-CD1 4.37Å; D325-L328 WeakPolarHBondContact O-CB 3.41Å; D325-L328 PolarHBondContact O-N 3.49Å; L328-K330 PolarHBondContact O-N 2.97Å; L328-C331 WeakPolarHBondContact O-CB 3.19Å; L328-C331 PolarHBondContact O-N 2.65Å; L328-H332 PolarHBondContact O-CD2 3.11Å; L328-H332 PolarHBondContact O-N 3.38Å |
| 329 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 175.7 | -65.8 | 167.4 | 0 | 0 | 0 | 110.7 | H293 F296 A297 L300 R321 D325 L326 C331 H332 F333 | H293-I329 HydrophobicContact CB-CG1 4.24Å; F296-I329 HydrophobicContact CB-CD1 3.58Å; F296-I329 HydrophobicContact CB-CG1 3.9Å; F296-I329 HydrophobicContact CB-CG2 4.19Å; F296-I329 HydrophobicContact CD2-CD1 4.06Å; F296-I329 HydrophobicContact CG-CD1 4.06Å; A297-I329 HydrophobicContact CB-CG2 4.24Å; L300-I329 HydrophobicContact CD1-CG2 3.63Å; R321-I329 HydrophobicContact CB-CD1 3.67Å; R321-I329 HydrophobicContact CG-CD1 3.79Å; D325-I329 WeakPolarHBondContact O-CG1 3.44Å; D325-I329 PolarHBondContact O-N 3.42Å; D325-I329 WeakPolarHBondContact OD1-CD1 3.37Å; L326-I329 PolarHBondContact O-N 3.41Å; I329-C331 PolarHBondContact O-N 3.13Å; I329-H332 PolarHBondContact O-N 3.38Å; I329-F333 WeakPolarHBondContact O-CB 3.33Å; I329-F333 PolarHBondContact O-N 3.37Å |
| 330 | K | 98.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 47 Ų | 47 | 7% | 0.065 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 174.8 | -71.5 | 157 | 65.3 | -177.5 | 0 | 112.5 | L326 L328 H332 F333 K334 L341 V361 S363 D364 | L326-K330 HydrophobicContact CG-CD 4.25Å; L326-K330 VanDerWaalsContact O-CD 3.27Å; L326-K330 WeakPolarHBondContact O-CD 3.39Å; L326-K330 WeakPolarHBondContact O-CG 3.28Å; L326-K330 PolarHBondContact O-N 2.92Å; L328-K330 PolarHBondContact O-N 2.97Å; K330-H332 PolarHBondContact O-N 3.18Å; K330-F333 PolarHBondContact O-N 3.36Å; K330-K334 PolarHBondContact O-N 2.81Å; K330-L341 HydrophobicContact CG-CB 4.25Å; K330-L341 HydrophobicContact CG-CD2 3.91Å; K330-V361 HydrophobicContact CD-CG1 3.88Å; K330-V361 HydrophobicContact CG-CG1 4.28Å; K330-V361 PolarHBondContact NZ-O 2.69Å; K330-S363 PolarHBondContact NZ-O 2.68Å; K330-D364 VanDerWaalsContact CE-CG 3.42Å; K330-D364 WeakPolarHBondContact CE-OD1 3.34Å |
| 331 | C | 97.9 | Very high | 97.4 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 176.3 | -176 | 0 | 0 | 0 | 0 | 112.2 | N327 L328 I329 K335 | N327-C331 PolarHBondContact O-N 2.75Å; L328-C331 WeakPolarHBondContact O-CB 3.19Å; L328-C331 PolarHBondContact O-N 2.65Å; I329-C331 PolarHBondContact O-N 3.13Å; C331-K335 VanDerWaalsContact O-CG 3.3Å; C331-K335 WeakPolarHBondContact O-CG 3.36Å; C331-K335 PolarHBondContact O-N 3.34Å; C331-K335 VanDerWaalsContact SG-CE 3.57Å; C331-K335 PolarHBondContact SG-NZ 2.83Å; C331-K335 VanDerWaalsContact SG-NZ 3.44Å |
| 332 | H | 98.4 | Very high | 97.4 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 20% | 0.199 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65 | -45.5 | 174.1 | -88 | -88.9 | 0 | 0 | 0 | 112.1 | N291 A297 L328 I329 K330 K334 K335 M336 | N291-H332 PolarHBondContact ND2-CE1 3.13Å; A297-H332 HydrophobicContact CB-CB 4.03Å; L328-H332 PolarHBondContact O-CD2 3.11Å; L328-H332 PolarHBondContact O-N 3.38Å; I329-H332 PolarHBondContact O-N 3.38Å; K330-H332 PolarHBondContact O-N 3.18Å; H332-K334 PolarHBondContact O-N 3.44Å; H332-K335 PolarHBondContact O-N 3.37Å; H332-K335 VanDerWaalsContact O-N 3.16Å; H332-M336 HydrophobicContact CB-SD 4.41Å; H332-M336 WeakPolarHBondContact O-CB 3.44Å; H332-M336 VanDerWaalsContact O-CG 3.24Å; H332-M336 WeakPolarHBondContact O-CG 3.49Å; H332-M336 PolarHBondContact O-N 2.85Å |
| 333 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.4 | -49 | 177.9 | -167.4 | -79.3 | 0 | 0 | 0 | 111.8 | A297 L300 Y301 M304 I329 K330 K335 M336 Y337 K339 L341 M344 | A297-F333 HydrophobicContact CB-CB 3.97Å; A297-F333 HydrophobicContact CB-CD2 4.29Å; A297-F333 WeakPolarHBondContact O-CD2 3.37Å; L300-F333 HydrophobicContact CB-CD2 4.35Å; L300-F333 HydrophobicContact CB-CE2 4.11Å; Y301-F333 HydrophobicContact CD2-CZ 4.31Å; M304-F333 HydrophobicContact CE-CE2 4.39Å; M304-F333 HydrophobicContact CE-CZ 4.25Å; I329-F333 WeakPolarHBondContact O-CB 3.33Å; I329-F333 PolarHBondContact O-N 3.37Å; K330-F333 PolarHBondContact O-N 3.36Å; F333-K335 VanDerWaalsContact C-N 3.35Å; F333-K335 PolarHBondContact O-N 3.47Å; F333-M336 PolarHBondContact O-N 3.4Å; F333-Y337 HydrophobicContact CD1-CD2 4.13Å; F333-Y337 AromaticContact CD2-CD2 3.99Å; F333-Y337 HydrophobicContact CD2-CD2 3.99Å; F333-Y337 HydrophobicContact CD2-CE2 4.21Å; F333-Y337 HydrophobicContact CE1-CD2 4.26Å; F333-Y337 HydrophobicContact CE2-CD2 4.13Å; F333-Y337 HydrophobicContact CE2-CE2 4.41Å; F333-Y337 AromaticContact CG-CD2 4Å; F333-Y337 HydrophobicContact CG-CD2 4Å; F333-Y337 HydrophobicContact CZ-CD2 4.26Å; F333-Y337 WeakPolarHBondContact O-CD2 3.46Å; F333-Y337 PolarHBondContact O-N 2.83Å; F333-K339 WeakPolarHBondContact CD1-O 3.3Å; F333-L341 HydrophobicContact CD1-CB 4.14Å; F333-L341 HydrophobicContact CD2-CD1 3.98Å; F333-L341 HydrophobicContact CE1-CB 4.41Å; F333-L341 HydrophobicContact CE1-CD1 4.46Å; F333-L341 HydrophobicContact CE2-CD1 3.73Å; F333-L341 HydrophobicContact CG-CB 4.26Å; F333-L341 HydrophobicContact CG-CD1 4.43Å; F333-L341 HydrophobicContact CZ-CD1 4Å; F333-M344 HydrophobicContact CE1-CB 4.41Å; F333-M344 HydrophobicContact CE1-SD 4.48Å; F333-M344 HydrophobicContact CZ-CB 4.17Å; F333-M344 HydrophobicContact CZ-SD 3.78Å |
| 334 | K | 98.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 43.7 Ų | 43.7 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 178 | -166.8 | -178.9 | -172 | 179.1 | 0 | 112.5 | K330 H332 G338 K339 T340 P365 | K330-K334 PolarHBondContact O-N 2.81Å; H332-K334 PolarHBondContact O-N 3.44Å; K334-G338 WeakPolarHBondContact O-CA 3.13Å; K334-G338 PolarHBondContact O-N 3.36Å; K334-K339 WeakPolarHBondContact CA-O 3.49Å; K334-T340 HydrophobicContact CD-CG2 4.09Å; K334-T340 HydrophobicContact CG-CG2 4.39Å; K334-P365 PolarHBondContact NZ-O 3.47Å; K334-P365 PolarHBondContact NZ-OXT 3.36Å |
| 335 | K | 98.3 | Very high | 98 | Very high | 153 Ų | 153 | 40.1 Ų | 40.1 | 67% | 0.665 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -66.7 | -40 | 176.6 | -73.2 | 169.5 | -179.7 | 171.2 | 0 | 112.8 | C331 H332 F333 | C331-K335 VanDerWaalsContact O-CG 3.3Å; C331-K335 WeakPolarHBondContact O-CG 3.36Å; C331-K335 PolarHBondContact O-N 3.34Å; C331-K335 VanDerWaalsContact SG-CE 3.57Å; C331-K335 PolarHBondContact SG-NZ 2.83Å; C331-K335 VanDerWaalsContact SG-NZ 3.44Å; H332-K335 PolarHBondContact O-N 3.37Å; H332-K335 VanDerWaalsContact O-N 3.16Å; F333-K335 VanDerWaalsContact C-N 3.35Å; F333-K335 PolarHBondContact O-N 3.47Å |
| 336 | M | 98.1 | Very high | 98 | Very high | 72 Ų | 72 | 44.7 Ų | 44.7 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -77.9 | -36 | -176.2 | -68.2 | 167.3 | 75 | 0 | 0 | 113.1 | S294 A297 E298 H332 F333 | S294-M336 PolarHBondContact OG-SD 2.8Å; A297-M336 HydrophobicContact CB-SD 4.02Å; E298-M336 HydrophobicContact CB-CE 4.27Å; H332-M336 HydrophobicContact CB-SD 4.41Å; H332-M336 WeakPolarHBondContact O-CB 3.44Å; H332-M336 VanDerWaalsContact O-CG 3.24Å; H332-M336 WeakPolarHBondContact O-CG 3.49Å; H332-M336 PolarHBondContact O-N 2.85Å; F333-M336 PolarHBondContact O-N 3.4Å |
| 337 | Y | 98.1 | Very high | 98 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 22% | 0.216 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -118.5 | -1.5 | -168.4 | -55.8 | -58.7 | 0 | 0 | 0 | 114.9 | E298 Y301 F333 K339 | E298-Y337 WeakPolarHBondContact CA-OH 3.41Å; E298-Y337 WeakPolarHBondContact CG-OH 3.29Å; Y301-Y337 AromaticContact CD1-CD1 4Å; Y301-Y337 HydrophobicContact CD1-CD1 4Å; Y301-Y337 AromaticContact CD1-CE1 3.39Å; Y301-Y337 HydrophobicContact CD1-CE1 3.39Å; Y301-Y337 HydrophobicContact CD1-CE2 4.15Å; Y301-Y337 AromaticContact CD1-CZ 3.48Å; Y301-Y337 VanDerWaalsContact CD1-CZ 3.48Å; Y301-Y337 AromaticContact CD2-CD1 3.71Å; Y301-Y337 HydrophobicContact CD2-CD1 3.71Å; Y301-Y337 AromaticContact CD2-CD2 3.83Å; Y301-Y337 HydrophobicContact CD2-CD2 3.83Å; Y301-Y337 AromaticContact CD2-CE1 3.94Å; Y301-Y337 HydrophobicContact CD2-CE1 3.94Å; Y301-Y337 HydrophobicContact CD2-CE2 4.05Å; Y301-Y337 AromaticContact CD2-CG 3.66Å; Y301-Y337 HydrophobicContact CD2-CG 3.66Å; Y301-Y337 AromaticContact CE1-CD1 3.94Å; Y301-Y337 HydrophobicContact CE1-CD1 3.94Å; Y301-Y337 AromaticContact CE1-CE1 3.56Å; Y301-Y337 HydrophobicContact CE1-CE1 3.56Å; Y301-Y337 AromaticContact CE2-CD1 3.7Å; Y301-Y337 HydrophobicContact CE2-CD1 3.7Å; Y301-Y337 HydrophobicContact CE2-CE1 4.13Å; Y301-Y337 AromaticContact CE2-CG 3.95Å; Y301-Y337 HydrophobicContact CE2-CG 3.95Å; Y301-Y337 AromaticContact CG-CD1 3.87Å; Y301-Y337 HydrophobicContact CG-CD1 3.87Å; Y301-Y337 AromaticContact CG-CD2 3.89Å; Y301-Y337 HydrophobicContact CG-CD2 3.89Å; Y301-Y337 AromaticContact CG-CE1 3.59Å; Y301-Y337 HydrophobicContact CG-CE1 3.59Å; Y301-Y337 AromaticContact CG-CE2 3.61Å; Y301-Y337 HydrophobicContact CG-CE2 3.61Å; Y301-Y337 HydrophobicContact CG-CG 4.03Å; Y301-Y337 AromaticContact CG-CZ 3.44Å; Y301-Y337 VanDerWaalsContact CG-CZ 3.44Å; Y301-Y337 AromaticContact CZ-CD1 3.82Å; Y301-Y337 AromaticContact CZ-CE1 3.95Å; F333-Y337 HydrophobicContact CD1-CD2 4.13Å; F333-Y337 AromaticContact CD2-CD2 3.99Å; F333-Y337 HydrophobicContact CD2-CD2 3.99Å; F333-Y337 HydrophobicContact CD2-CE2 4.21Å; F333-Y337 HydrophobicContact CE1-CD2 4.26Å; F333-Y337 HydrophobicContact CE2-CD2 4.13Å; F333-Y337 HydrophobicContact CE2-CE2 4.41Å; F333-Y337 AromaticContact CG-CD2 4Å; F333-Y337 HydrophobicContact CG-CD2 4Å; F333-Y337 HydrophobicContact CZ-CD2 4.26Å; F333-Y337 WeakPolarHBondContact O-CD2 3.46Å; F333-Y337 PolarHBondContact O-N 2.83Å; Y337-K339 PolarHBondContact O-N 3.14Å |
| 338 | G | 97.4 | Very high | 98 | Very high | 71 Ų | 71 | 49.1 Ų | 49.1 | 73% | 0.732 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 70 | -0.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.4 | K334 | K334-G338 WeakPolarHBondContact O-CA 3.13Å; K334-G338 PolarHBondContact O-N 3.36Å |
| 339 | K | 96.9 | Very high | 98 | Very high | 69 Ų | 69 | 46.1 Ų | 46.1 | 30% | 0.3 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -134 | 157.7 | 173.9 | 59 | 172.6 | 167.6 | -178.5 | 0 | 111.5 | F333 K334 Y337 E347 | F333-K339 WeakPolarHBondContact CD1-O 3.3Å; K334-K339 WeakPolarHBondContact CA-O 3.49Å; Y337-K339 PolarHBondContact O-N 3.14Å; K339-E347 IonicContact NZ-OE1 3.39Å; K339-E347 IonicContact NZ-OE2 3.89Å; K339-E347 PolarHBondContact NZ-OE2 2.74Å |
| 340 | T | 98.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 15% | 0.153 | 28% | 0.276 | C | S | . | . | trans | -74.7 | 157.9 | -176.9 | 64.6 | 0 | 0 | 0 | 0 | 111.4 | K334 S342 S343 M344 D364 | K334-T340 HydrophobicContact CD-CG2 4.09Å; K334-T340 HydrophobicContact CG-CG2 4.39Å; T340-S342 VanDerWaalsContact C-N 3.3Å; T340-S343 WeakPolarHBondContact O-CB 3.42Å; T340-S343 PolarHBondContact O-N 3.47Å; T340-S343 WeakPolarHBondContact OG1-CB 3.48Å; T340-S343 PolarHBondContact OG1-N 3.21Å; T340-S343 VanDerWaalsContact OG1-N 3.17Å; T340-M344 PolarHBondContact O-N 3.39Å; T340-D364 WeakPolarHBondContact CB-OD2 3.25Å | ||
| 341 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 177.4 | 176.2 | 62.7 | 0 | 0 | 0 | 109.9 | L300 M304 L326 K330 F333 S343 M344 I345 V361 D364 | L300-L341 HydrophobicContact CB-CD1 4.14Å; L300-L341 HydrophobicContact CD1-CD1 4.07Å; L300-L341 HydrophobicContact CD1-CD2 3.96Å; M304-L341 HydrophobicContact CE-CD1 3.84Å; L326-L341 HydrophobicContact CD1-CD2 4.26Å; K330-L341 HydrophobicContact CG-CB 4.25Å; K330-L341 HydrophobicContact CG-CD2 3.91Å; F333-L341 HydrophobicContact CD1-CB 4.14Å; F333-L341 HydrophobicContact CD2-CD1 3.98Å; F333-L341 HydrophobicContact CE1-CB 4.41Å; F333-L341 HydrophobicContact CE1-CD1 4.46Å; F333-L341 HydrophobicContact CE2-CD1 3.73Å; F333-L341 HydrophobicContact CG-CB 4.26Å; F333-L341 HydrophobicContact CG-CD1 4.43Å; F333-L341 HydrophobicContact CZ-CD1 4Å; L341-S343 VanDerWaalsContact C-N 3.32Å; L341-S343 PolarHBondContact O-N 3.44Å; L341-M344 PolarHBondContact O-N 2.91Å; L341-I345 HydrophobicContact CD1-CD1 4.18Å; L341-I345 HydrophobicContact CD1-CG1 4.49Å; L341-I345 HydrophobicContact CG-CD1 3.9Å; L341-I345 WeakPolarHBondContact O-CG1 3.48Å; L341-I345 PolarHBondContact O-N 3.47Å; L341-V361 HydrophobicContact CD2-CG1 4.18Å; L341-V361 HydrophobicContact CD2-CG2 4.05Å; L341-V361 HydrophobicContact CG-CG1 4.48Å; L341-D364 PolarHBondContact N-OD2 2.71Å |
| 342 | S | 98.4 | Very high | 97.9 | Very high | 15 Ų | 15 | 52 Ų | 52 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -36.4 | 174.2 | -70.7 | 0 | 0 | 0 | 0 | 113.3 | T340 I345 M346 V361 D364 | T340-S342 VanDerWaalsContact C-N 3.3Å; S342-I345 PolarHBondContact O-N 3.21Å; S342-M346 WeakPolarHBondContact O-CG 3.3Å; S342-M346 PolarHBondContact O-N 2.88Å; S342-V361 WeakPolarHBondContact OG-CG1 3.44Å; S342-D364 PolarHBondContact N-OD2 3.21Å; S342-D364 WeakPolarHBondContact OG-CB 3.4Å; S342-D364 PolarHBondContact OG-OD2 3.07Å |
| 343 | S | 98.2 | Very high | 97.9 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 174.8 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | T340 L341 I345 M346 E347 | T340-S343 WeakPolarHBondContact O-CB 3.42Å; T340-S343 PolarHBondContact O-N 3.47Å; T340-S343 WeakPolarHBondContact OG1-CB 3.48Å; T340-S343 PolarHBondContact OG1-N 3.21Å; T340-S343 VanDerWaalsContact OG1-N 3.17Å; L341-S343 VanDerWaalsContact C-N 3.32Å; L341-S343 PolarHBondContact O-N 3.44Å; S343-I345 PolarHBondContact O-N 3.05Å; S343-M346 WeakPolarHBondContact O-CB 3.35Å; S343-M346 PolarHBondContact O-N 3.33Å; S343-M346 VanDerWaalsContact O-N 3.16Å; S343-E347 WeakPolarHBondContact O-CG 3.32Å; S343-E347 PolarHBondContact O-N 3.33Å; S343-E347 PolarHBondContact OG-OE1 2.81Å |
| 344 | M | 98.2 | Very high | 97.9 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -37.6 | -178.5 | -162 | 157.2 | -177.3 | 0 | 0 | 111.8 | Y301 M304 K305 F333 T340 L341 M346 E347 D348 | Y301-M344 HydrophobicContact CD2-CE 3.84Å; Y301-M344 HydrophobicContact CD2-SD 3.64Å; Y301-M344 HydrophobicContact CE2-CE 3.92Å; Y301-M344 HydrophobicContact CE2-SD 4.03Å; M304-M344 HydrophobicContact CB-CE 3.6Å; M304-M344 HydrophobicContact CB-CG 3.92Å; M304-M344 HydrophobicContact CB-SD 4.22Å; M304-M344 HydrophobicContact CE-CB 3.97Å; M304-M344 HydrophobicContact CE-CG 3.84Å; M304-M344 HydrophobicContact CE-SD 4.26Å; M304-M344 HydrophobicContact SD-CB 4.2Å; M304-M344 HydrophobicContact SD-CG 3.93Å; K305-M344 HydrophobicContact CB-CE 4.25Å; F333-M344 HydrophobicContact CE1-CB 4.41Å; F333-M344 HydrophobicContact CE1-SD 4.48Å; F333-M344 HydrophobicContact CZ-CB 4.17Å; F333-M344 HydrophobicContact CZ-SD 3.78Å; T340-M344 PolarHBondContact O-N 3.39Å; L341-M344 PolarHBondContact O-N 2.91Å; M344-M346 VanDerWaalsContact C-N 3.32Å; M344-M346 PolarHBondContact O-N 2.88Å; M344-E347 PolarHBondContact O-N 3.05Å; M344-D348 WeakPolarHBondContact O-CB 3.42Å; M344-D348 PolarHBondContact O-N 3.41Å |
| 345 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 172.5 | -68.2 | 167.8 | 0 | 0 | 0 | 111.6 | M304 I318 L341 S342 S343 E347 T349 K354 L357 L358 V361 | M304-I345 HydrophobicContact CE-CG1 4.29Å; M304-I345 HydrophobicContact SD-CG1 3.78Å; I318-I345 HydrophobicContact CD1-CD1 3.8Å; L341-I345 HydrophobicContact CD1-CD1 4.18Å; L341-I345 HydrophobicContact CD1-CG1 4.49Å; L341-I345 HydrophobicContact CG-CD1 3.9Å; L341-I345 WeakPolarHBondContact O-CG1 3.48Å; L341-I345 PolarHBondContact O-N 3.47Å; S342-I345 PolarHBondContact O-N 3.21Å; S343-I345 PolarHBondContact O-N 3.05Å; I345-E347 VanDerWaalsContact C-N 3.33Å; I345-T349 WeakPolarHBondContact CG2-OG1 3.11Å; I345-T349 WeakPolarHBondContact O-CB 3.5Å; I345-T349 PolarHBondContact O-N 3.12Å; I345-T349 PolarHBondContact O-OG1 3.33Å; I345-K354 HydrophobicContact CG2-CG 4.47Å; I345-L357 HydrophobicContact CG2-CB 3.85Å; I345-L357 HydrophobicContact CG2-CD1 3.98Å; I345-L358 HydrophobicContact CB-CD2 4.07Å; I345-L358 HydrophobicContact CG2-CD2 3.77Å; I345-L358 HydrophobicContact CG2-CG 4.04Å; I345-V361 HydrophobicContact CD1-CG2 3.77Å |
| 346 | M | 97.6 | Very high | 97.9 | Very high | 103 Ų | 103 | 44.8 Ų | 44.8 | 51% | 0.507 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.4 | -30.9 | 175.9 | -76.5 | -172.6 | -62.6 | 0 | 0 | 113.7 | S342 S343 M344 K354 L358 | S342-M346 WeakPolarHBondContact O-CG 3.3Å; S342-M346 PolarHBondContact O-N 2.88Å; S343-M346 WeakPolarHBondContact O-CB 3.35Å; S343-M346 PolarHBondContact O-N 3.33Å; S343-M346 VanDerWaalsContact O-N 3.16Å; M344-M346 VanDerWaalsContact C-N 3.32Å; M344-M346 PolarHBondContact O-N 2.88Å; M346-K354 HydrophobicContact CG-CD 4.39Å; M346-L358 HydrophobicContact CG-CD1 3.68Å; M346-L358 HydrophobicContact CG-CD2 4.05Å; M346-L358 HydrophobicContact CG-CG 4.49Å; M346-L358 HydrophobicContact SD-CD1 4.41Å |
| 347 | E | 96.6 | Very high | 97.9 | Very high | 108 Ų | 108 | 41.4 Ų | 41.4 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -75.7 | -43.4 | 177.1 | -68.7 | 159.2 | -143.6 | 0 | 0 | 111.6 | K339 S343 M344 I345 | K339-E347 IonicContact NZ-OE1 3.39Å; K339-E347 IonicContact NZ-OE2 3.89Å; K339-E347 PolarHBondContact NZ-OE2 2.74Å; S343-E347 WeakPolarHBondContact O-CG 3.32Å; S343-E347 PolarHBondContact O-N 3.33Å; S343-E347 PolarHBondContact OG-OE1 2.81Å; M344-E347 PolarHBondContact O-N 3.05Å; I345-E347 VanDerWaalsContact C-N 3.33Å |
| 348 | D | 96.1 | Very high | 97.9 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -88.8 | -26 | -171.2 | -99.7 | 64.6 | 0 | 0 | 0 | 115.4 | M304 T309 M344 | M304-D348 VanDerWaalsContact CA-OD2 3.27Å; M304-D348 WeakPolarHBondContact CA-OD2 3.24Å; M304-D348 HydrophobicContact CB-CB 4.26Å; M304-D348 WeakPolarHBondContact CB-OD2 3.44Å; M304-D348 HydrophobicContact CG-CB 4.05Å; M304-D348 HydrophobicContact SD-CB 4.3Å; T309-D348 PolarHBondContact OG1-OD2 3.5Å; M344-D348 WeakPolarHBondContact O-CB 3.42Å; M344-D348 PolarHBondContact O-N 3.41Å |
| 349 | T | 97.9 | Very high | 98 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | trans | -121.2 | 159.7 | -169.1 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | L314 I345 Y353 K354 L357 | L314-T349 HydrophobicContact CD2-CG2 4.07Å; I345-T349 WeakPolarHBondContact CG2-OG1 3.11Å; I345-T349 WeakPolarHBondContact O-CB 3.5Å; I345-T349 PolarHBondContact O-N 3.12Å; I345-T349 PolarHBondContact O-OG1 3.33Å; T349-Y353 HydrophobicContact CG2-CD1 4.22Å; T349-Y353 HydrophobicContact CG2-CE1 3.73Å; T349-K354 WeakPolarHBondContact O-CD 3.31Å; T349-K354 WeakPolarHBondContact OG1-CA 3.47Å; T349-K354 VanDerWaalsContact OG1-CB 3.24Å; T349-K354 WeakPolarHBondContact OG1-CB 3.32Å; T349-K354 WeakPolarHBondContact OG1-CG 3.34Å; T349-L357 HydrophobicContact CG2-CD1 4.09Å | ||
| 350 | S | 97.7 | Very high | 97.9 | Very high | 94 Ų | 94 | 36.2 Ų | 36.2 | 66% | 0.657 | 21% | 0.209 | S | C | * | . | trans | -143.6 | 170.4 | -176.3 | 64.4 | 0 | 0 | 0 | 0 | 112.6 | K354 | S350-K354 PolarHBondContact O-N 3.05Š| ||
| 351 | G | 97.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 35 Ų | 35 | 43% | 0.433 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | 59.2 | -156.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y353 K354 N355 | G351-Y353 PolarHBondContact O-N 3.08Å; G351-K354 WeakPolarHBondContact O-CB 3.33Å; G351-K354 PolarHBondContact O-N 3.36Å; G351-K354 VanDerWaalsContact O-N 3.1Å; G351-N355 PolarHBondContact O-N 3.48Å |
| 352 | D | 97.9 | Very high | 97.6 | Very high | 59 Ų | 59 | 36.3 Ų | 36.3 | 32% | 0.316 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.6 | -26 | -177.5 | -54.3 | -69.1 | 0 | 0 | 0 | 112.9 | E79 I83 F121 N355 A356 | E79-D352 HydrophobicContact CB-CB 4.1Å; I83-D352 HydrophobicContact CD1-CB 4.16Å; F121-D352 HydrophobicContact CD1-CB 4.25Å; F121-D352 HydrophobicContact CD2-CB 3.91Å; F121-D352 HydrophobicContact CE1-CB 4.38Å; F121-D352 HydrophobicContact CE2-CB 4.05Å; F121-D352 HydrophobicContact CG-CB 4.02Å; F121-D352 HydrophobicContact CZ-CB 4.29Å; D352-N355 PolarHBondContact O-N 3.13Å; D352-A356 VanDerWaalsContact O-CB 3.24Å; D352-A356 WeakPolarHBondContact O-CB 3.35Å; D352-A356 PolarHBondContact O-N 2.83Å |
| 353 | Y | 98.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.1 | -48.9 | 169.6 | 175.1 | -123.2 | 0 | 0 | 0 | 112.1 | K120 L124 D311 I315 T349 G351 L357 | K120-Y353 HydrophobicContact CB-CD1 3.72Å; K120-Y353 HydrophobicContact CB-CD2 3.77Å; K120-Y353 HydrophobicContact CB-CE1 4.05Å; K120-Y353 HydrophobicContact CB-CE2 4.11Å; K120-Y353 HydrophobicContact CB-CG 3.57Å; K120-Y353 HydrophobicContact CD-CD1 3.7Å; K120-Y353 HydrophobicContact CD-CE1 3.69Å; K120-Y353 HydrophobicContact CD-CG 4.42Å; K120-Y353 HydrophobicContact CG-CD1 4.38Å; K120-Y353 HydrophobicContact CG-CE1 4.46Å; K120-Y353 WeakPolarHBondContact O-CD2 3.41Å; L124-Y353 HydrophobicContact CB-CD2 4.15Å; L124-Y353 HydrophobicContact CB-CE2 4.17Å; L124-Y353 HydrophobicContact CD2-CD2 3.89Å; L124-Y353 HydrophobicContact CD2-CE2 4.06Å; D311-Y353 WeakPolarHBondContact OD1-CE1 3.49Å; D311-Y353 PolarHBondContact OD1-OH 2.66Å; I315-Y353 HydrophobicContact CD1-CE2 3.79Å; I315-Y353 HydrophobicContact CG1-CE2 3.73Å; T349-Y353 HydrophobicContact CG2-CD1 4.22Å; T349-Y353 HydrophobicContact CG2-CE1 3.73Å; G351-Y353 PolarHBondContact O-N 3.08Å; Y353-L357 HydrophobicContact CD1-CD1 4.48Å; Y353-L357 HydrophobicContact CD2-CD1 4.41Å; Y353-L357 HydrophobicContact CD2-CG 4.33Å; Y353-L357 HydrophobicContact CE1-CD1 3.95Å; Y353-L357 HydrophobicContact CE2-CD1 3.85Å; Y353-L357 HydrophobicContact CE2-CD2 4.27Å; Y353-L357 HydrophobicContact CE2-CG 3.99Å; Y353-L357 WeakPolarHBondContact O-CG 3.43Å; Y353-L357 PolarHBondContact O-N 3.28Å |
| 354 | K | 98.6 | Very high | 96.9 | Very high | 59 Ų | 59 | 39.2 Ų | 39.2 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59 | -49.6 | 172.9 | 177.8 | -177 | 59.6 | 178.2 | 0 | 111.1 | I345 M346 T349 S350 G351 A356 L357 L358 | I345-K354 HydrophobicContact CG2-CG 4.47Å; M346-K354 HydrophobicContact CG-CD 4.39Å; T349-K354 WeakPolarHBondContact O-CD 3.31Å; T349-K354 WeakPolarHBondContact OG1-CA 3.47Å; T349-K354 VanDerWaalsContact OG1-CB 3.24Å; T349-K354 WeakPolarHBondContact OG1-CB 3.32Å; T349-K354 WeakPolarHBondContact OG1-CG 3.34Å; S350-K354 PolarHBondContact O-N 3.05Å; G351-K354 WeakPolarHBondContact O-CB 3.33Å; G351-K354 PolarHBondContact O-N 3.36Å; G351-K354 VanDerWaalsContact O-N 3.1Å; K354-A356 VanDerWaalsContact C-N 3.28Å; K354-A356 PolarHBondContact O-N 3.37Å; K354-L357 PolarHBondContact O-N 3.02Å; K354-L358 HydrophobicContact CD-CD1 4.09Å; K354-L358 HydrophobicContact CG-CD1 3.67Å; K354-L358 HydrophobicContact CG-CG 4.14Å; K354-L358 WeakPolarHBondContact O-CG 3.39Å; K354-L358 PolarHBondContact O-N 2.95Å |
| 355 | N | 98.4 | Very high | 96 | Very high | 62 Ų | 62 | 44.8 Ų | 44.8 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | -174.7 | -61.7 | -17.1 | 0 | 0 | 0 | 111.2 | I83 G351 D352 S359 | I83-N355 HydrophobicContact CD1-CB 3.95Å; G351-N355 PolarHBondContact O-N 3.48Å; D352-N355 PolarHBondContact O-N 3.13Å; N355-S359 WeakPolarHBondContact O-CB 3.31Å; N355-S359 PolarHBondContact O-N 3Å |
| 356 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | I83 T87 F121 L124 D352 K354 S359 L360 | I83-A356 HydrophobicContact CD1-CB 4.16Å; I83-A356 HydrophobicContact CG1-CB 3.99Å; T87-A356 HydrophobicContact CG2-CB 4.27Å; F121-A356 HydrophobicContact CD2-CB 4.19Å; F121-A356 HydrophobicContact CE2-CB 3.97Å; L124-A356 HydrophobicContact CD2-CB 3.53Å; D352-A356 VanDerWaalsContact O-CB 3.24Å; D352-A356 WeakPolarHBondContact O-CB 3.35Å; D352-A356 PolarHBondContact O-N 2.83Å; K354-A356 VanDerWaalsContact C-N 3.28Å; K354-A356 PolarHBondContact O-N 3.37Å; A356-S359 PolarHBondContact O-N 2.89Å; A356-L360 WeakPolarHBondContact O-CG 3.27Å; A356-L360 PolarHBondContact O-N 3.42Å |
| 357 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 175.9 | -74.6 | -178.6 | 0 | 0 | 0 | 111.9 | L124 L314 I318 I345 T349 Y353 K354 S359 L360 V361 | L124-L357 HydrophobicContact CD1-CD2 3.97Å; L124-L357 HydrophobicContact CD2-CD2 3.64Å; L124-L357 HydrophobicContact CD2-CG 3.82Å; L124-L357 HydrophobicContact CG-CD2 4.46Å; L314-L357 HydrophobicContact CD2-CD1 3.84Å; L314-L357 HydrophobicContact CG-CD1 4.25Å; I318-L357 HydrophobicContact CD1-CD2 3.87Å; I318-L357 HydrophobicContact CG2-CD2 4.39Å; I345-L357 HydrophobicContact CG2-CB 3.85Å; I345-L357 HydrophobicContact CG2-CD1 3.98Å; T349-L357 HydrophobicContact CG2-CD1 4.09Å; Y353-L357 HydrophobicContact CD1-CD1 4.48Å; Y353-L357 HydrophobicContact CD2-CD1 4.41Å; Y353-L357 HydrophobicContact CD2-CG 4.33Å; Y353-L357 HydrophobicContact CE1-CD1 3.95Å; Y353-L357 HydrophobicContact CE2-CD1 3.85Å; Y353-L357 HydrophobicContact CE2-CD2 4.27Å; Y353-L357 HydrophobicContact CE2-CG 3.99Å; Y353-L357 WeakPolarHBondContact O-CG 3.43Å; Y353-L357 PolarHBondContact O-N 3.28Å; K354-L357 PolarHBondContact O-N 3.02Å; L357-S359 VanDerWaalsContact C-N 3.3Å; L357-S359 PolarHBondContact O-N 2.85Å; L357-L360 PolarHBondContact O-N 3.12Å; L357-L360 VanDerWaalsContact O-N 3.13Å; L357-V361 WeakPolarHBondContact O-CG2 3.44Å; L357-V361 PolarHBondContact O-N 2.67Å |
| 358 | L | 98.4 | Very high | 95.7 | Very high | 40 Ų | 40 | 40.6 Ų | 40.6 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 178.1 | -66.1 | 174.4 | 0 | 0 | 0 | 111.6 | I345 M346 K354 L360 V361 G362 | I345-L358 HydrophobicContact CB-CD2 4.07Å; I345-L358 HydrophobicContact CG2-CD2 3.77Å; I345-L358 HydrophobicContact CG2-CG 4.04Å; M346-L358 HydrophobicContact CG-CD1 3.68Å; M346-L358 HydrophobicContact CG-CD2 4.05Å; M346-L358 HydrophobicContact CG-CG 4.49Å; M346-L358 HydrophobicContact SD-CD1 4.41Å; K354-L358 HydrophobicContact CD-CD1 4.09Å; K354-L358 HydrophobicContact CG-CD1 3.67Å; K354-L358 HydrophobicContact CG-CG 4.14Å; K354-L358 WeakPolarHBondContact O-CG 3.39Å; K354-L358 PolarHBondContact O-N 2.95Å; L358-L360 VanDerWaalsContact C-N 3.3Å; L358-L360 PolarHBondContact O-N 2.93Å; L358-V361 PolarHBondContact O-N 2.72Å; L358-G362 PolarHBondContact O-N 3.11Å |
| 359 | S | 97.8 | Very high | 95.7 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.7 | -26.6 | 175.4 | -172.2 | 0 | 0 | 0 | 0 | 113.7 | T87 N355 A356 L357 | T87-S359 WeakPolarHBondContact OG1-CB 3.39Å; T87-S359 PolarHBondContact OG1-OG 3.45Å; N355-S359 WeakPolarHBondContact O-CB 3.31Å; N355-S359 PolarHBondContact O-N 3Å; A356-S359 PolarHBondContact O-N 2.89Å; L357-S359 VanDerWaalsContact C-N 3.3Å; L357-S359 PolarHBondContact O-N 2.85Å |
| 360 | L | 95.3 | Very high | 95.6 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -79.5 | -40.4 | 173.2 | -71.9 | 168.4 | 0 | 0 | 0 | 112.3 | T87 L124 L128 I318 A356 L357 L358 G362 | T87-L360 HydrophobicContact CG2-CD2 4.07Å; T87-L360 HydrophobicContact CG2-CG 3.89Å; L124-L360 HydrophobicContact CD1-CD1 3.84Å; L124-L360 HydrophobicContact CD2-CD1 4.46Å; L124-L360 HydrophobicContact CG-CD1 4.43Å; L128-L360 HydrophobicContact CD1-CD1 4.18Å; L128-L360 HydrophobicContact CD1-CD2 4.16Å; L128-L360 HydrophobicContact CD2-CD1 3.97Å; L128-L360 HydrophobicContact CD2-CD2 3.75Å; L128-L360 HydrophobicContact CG-CD1 4.45Å; I318-L360 HydrophobicContact CG2-CB 4.1Å; I318-L360 HydrophobicContact CG2-CD1 4.19Å; A356-L360 WeakPolarHBondContact O-CG 3.27Å; A356-L360 PolarHBondContact O-N 3.42Å; L357-L360 PolarHBondContact O-N 3.12Å; L357-L360 VanDerWaalsContact O-N 3.13Å; L358-L360 VanDerWaalsContact C-N 3.3Å; L358-L360 PolarHBondContact O-N 2.93Å; L360-G362 VanDerWaalsContact C-N 3.28Å; L360-G362 PolarHBondContact O-N 3.45Å |
| 361 | V | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -32.1 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | I318 K330 L341 S342 I345 L357 L358 D364 | I318-V361 HydrophobicContact CD1-CG2 4.21Å; I318-V361 HydrophobicContact CG2-CG2 4.46Å; K330-V361 HydrophobicContact CD-CG1 3.88Å; K330-V361 HydrophobicContact CG-CG1 4.28Å; K330-V361 PolarHBondContact NZ-O 2.69Å; L341-V361 HydrophobicContact CD2-CG1 4.18Å; L341-V361 HydrophobicContact CD2-CG2 4.05Å; L341-V361 HydrophobicContact CG-CG1 4.48Å; S342-V361 WeakPolarHBondContact OG-CG1 3.44Å; I345-V361 HydrophobicContact CD1-CG2 3.77Å; L357-V361 WeakPolarHBondContact O-CG2 3.44Å; L357-V361 PolarHBondContact O-N 2.67Å; L358-V361 PolarHBondContact O-N 2.72Å; V361-D364 HydrophobicContact CG1-CB 4.37Å |
| 362 | G | 94.1 | Very high | 95.3 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | trans | 69.3 | -157.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L358 L360 D364 | L358-G362 PolarHBondContact O-N 3.11Å; L360-G362 VanDerWaalsContact C-N 3.28Å; L360-G362 PolarHBondContact O-N 3.45Å; G362-D364 PolarHBondContact O-N 3.46Å | ||
| 363 | S | 92.4 | Very high | 95.1 | Very high | 83 Ų | 83 | 36.8 Ų | 36.8 | 58% | 0.58 | 23% | 0.227 | S | C | * | . | trans | -60.3 | 122.5 | 178.7 | -171.5 | 0 | 0 | 0 | 0 | 111 | K330 | K330-S363 PolarHBondContact NZ-O 2.68Š| ||
| 364 | D | 90.1 | Very high | 94.8 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | trans | -131.1 | 74.6 | -175.8 | -162.6 | 25 | 0 | 0 | 0 | 110.1 | K330 T340 L341 S342 V361 G362 | K330-D364 VanDerWaalsContact CE-CG 3.42Å; K330-D364 WeakPolarHBondContact CE-OD1 3.34Å; T340-D364 WeakPolarHBondContact CB-OD2 3.25Å; L341-D364 PolarHBondContact N-OD2 2.71Å; S342-D364 PolarHBondContact N-OD2 3.21Å; S342-D364 WeakPolarHBondContact OG-CB 3.4Å; S342-D364 PolarHBondContact OG-OD2 3.07Å; V361-D364 HydrophobicContact CG1-CB 4.37Å; G362-D364 PolarHBondContact O-N 3.46Å | ||
| 365 | P | 78.1 | Confident | 94.4 | Very high | 126 Ų | 126 | 37.3 Ų | 37.3 | 82% | 0.818 | 24% | 0.241 | S | C | * | . | trans | -75.9 | 0 | -172 | 32.6 | -36.5 | 0 | 0 | 0 | 113.4 | K334 | K334-P365 PolarHBondContact NZ-O 3.47Å; K334-P365 PolarHBondContact NZ-OXT 3.36Å |
Retrieved 365 of 365 residues in 200.3 ms
(Link to these results)