| 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 | 30 | Very low | 49.4 | Very low | 250 Ų | 250 | 109.3 Ų | 109.3 | 100% | 1.232 | 65% | 0.645 | S | S | * | * | 0 | 86 | 0 | -68.8 | 179.6 | -154.7 | 0 | 0 | 108.5 | |||||
| 2 | T | 29.7 | Very low | 51.9 | Low | 133 Ų | 133 | 111.1 Ų | 111.1 | 82% | 0.816 | 64% | 0.639 | S | S | * | * | trans | -83.4 | 119.6 | 169 | 39.4 | 0 | 0 | 0 | 0 | 107.7 | V4 | T2-V4 PolarHBondContact O-N 2.83Š| ||
| 3 | A | 33.3 | Very low | 53.8 | Low | 89 Ų | 89 | 103.5 Ų | 103.5 | 74% | 0.736 | 59% | 0.593 | S | S | * | * | trans | -61.9 | 100.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | H5 | A3-H5 PolarHBondContact O-N 3.41Å; A3-H5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | V | 38.2 | Very low | 55.2 | Low | 70 Ų | 70 | 102.6 Ų | 102.6 | 42% | 0.424 | 59% | 0.585 | S | S | . | * | trans | -61.8 | 114.4 | 167.8 | 179.6 | 0 | 0 | 0 | 0 | 106.5 | T2 A6 V156 | T2-V4 PolarHBondContact O-N 2.83Å; V4-A6 PolarHBondContact O-N 3.21Å; V4-V156 HydrophobicContact CG2-CG2 4.12Å | ||
| 5 | H | 39.6 | Very low | 56.1 | Low | 174 Ų | 174 | 98.7 Ų | 98.7 | 81% | 0.806 | 57% | 0.565 | S | S | * | * | trans | -61.8 | 121.2 | 175.1 | -85.6 | 41 | 0 | 0 | 0 | 109.1 | A3 G7 | A3-H5 PolarHBondContact O-N 3.41Å; A3-H5 VanDerWaalsContact O-N 3.15Å; H5-G7 PolarHBondContact O-N 2.75Å | ||
| 6 | A | 45.6 | Very low | 56.9 | Low | 64 Ų | 64 | 103.6 Ų | 103.6 | 53% | 0.529 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -63.1 | 7.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | V4 N8 | V4-A6 PolarHBondContact O-N 3.21Å; A6-N8 PolarHBondContact O-N 3.4Å |
| 7 | G | 43.7 | Very low | 58 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 71% | 0.711 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -73.5 | -11.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | H5 | H5-G7 PolarHBondContact O-N 2.75Š|
| 8 | N | 57.2 | Low | 58.5 | Low | 156 Ų | 156 | 99.3 Ų | 99.3 | 83% | 0.834 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -127.8 | 17.8 | -170.9 | -87.3 | -5 | 0 | 0 | 0 | 115.3 | A6 N10 | A6-N8 PolarHBondContact O-N 3.4Å; N8-N10 PolarHBondContact O-N 2.69Å |
| 9 | I | 73.4 | Confident | 59.3 | Low | 39 Ų | 39 | 97.1 Ų | 97.1 | 20% | 0.2 | 54% | 0.54 | C | S | . | . | trans | -84.2 | 111.5 | 177.9 | -61.3 | 179.2 | 0 | 0 | 0 | 109.6 | F11 Y148 L151 V152 | I9-F11 PolarHBondContact O-N 3Å; I9-Y148 HydrophobicContact CB-CE2 4.07Å; I9-Y148 HydrophobicContact CD1-CE1 4.35Å; I9-Y148 HydrophobicContact CD1-CE2 4.09Å; I9-Y148 HydrophobicContact CG2-CD2 4.21Å; I9-Y148 HydrophobicContact CG2-CE2 3.89Å; I9-L151 HydrophobicContact CG2-CB 3.8Å; I9-L151 HydrophobicContact CG2-CD1 3.96Å; I9-V152 HydrophobicContact CD1-CB 4.12Å; I9-V152 HydrophobicContact CD1-CG2 3.32Å | ||
| 10 | N | 72.8 | Confident | 60.2 | Low | 121 Ų | 121 | 94.6 Ų | 94.6 | 65% | 0.647 | 53% | 0.526 | S | S | * | . | trans | -79.5 | 97.6 | 175.3 | -171.6 | 2.3 | 0 | 0 | 0 | 110.1 | N8 Q260 | N8-N10 PolarHBondContact O-N 2.69Å; N10-Q260 PolarHBondContact O-NE2 3.37Å; N10-Q260 PolarHBondContact O-OE1 2.93Å | ||
| 11 | F | 80.5 | Confident | 60.8 | Low | 37 Ų | 37 | 91.6 Ų | 91.6 | 16% | 0.162 | 51% | 0.506 | C | S | . | . | trans | -106.2 | 121.8 | -179.9 | -177.7 | -101 | 0 | 0 | 0 | 110.5 | I9 W13 F85 M144 V147 Y148 L151 | I9-F11 PolarHBondContact O-N 3Å; F11-W13 HydrophobicContact CD1-CB 4.37Å; F11-W13 HydrophobicContact CE1-CB 3.57Å; F11-W13 HydrophobicContact CE1-CG 4.31Å; F11-W13 WeakPolarHBondContact CE1-O 3.43Å; F11-W13 HydrophobicContact CE2-CB 4.49Å; F11-W13 HydrophobicContact CE2-CG 4.41Å; F11-W13 HydrophobicContact CZ-CB 3.64Å; F11-W13 HydrophobicContact CZ-CD2 4.17Å; F11-W13 HydrophobicContact CZ-CE3 4.33Å; F11-W13 AromaticContact CZ-CG 3.94Å; F11-W13 HydrophobicContact CZ-CG 3.94Å; F11-F85 HydrophobicContact CD1-CE1 4.37Å; F11-F85 AromaticContact CD1-CZ 3.82Å; F11-F85 HydrophobicContact CD1-CZ 3.82Å; F11-F85 HydrophobicContact CE1-CE1 4.01Å; F11-F85 AromaticContact CE1-CZ 3.84Å; F11-F85 HydrophobicContact CE1-CZ 3.84Å; F11-F85 HydrophobicContact CG-CZ 4.34Å; F11-F85 HydrophobicContact CZ-CE1 4.15Å; F11-F85 HydrophobicContact CZ-CZ 4.4Å; F11-M144 HydrophobicContact CE1-CE 3.43Å; F11-M144 VanDerWaalsContact CE1-CE 3.43Å; F11-M144 HydrophobicContact CZ-CB 4Å; F11-M144 HydrophobicContact CZ-CE 3.78Å; F11-M144 HydrophobicContact CZ-CG 4.08Å; F11-V147 HydrophobicContact CD2-CG1 4.47Å; F11-V147 HydrophobicContact CE2-CB 4.2Å; F11-V147 HydrophobicContact CE2-CG1 3.88Å; F11-Y148 HydrophobicContact CD2-CD2 4.5Å; F11-L151 HydrophobicContact CD2-CD1 3.89Å | ||
| 12 | K | 78.4 | Confident | 63.2 | Low | 131 Ų | 131 | 79.7 Ų | 79.7 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | trans | -92.8 | -3.6 | -167.4 | -65 | 178.7 | -178.6 | 175.4 | 0 | 115.8 | ||||
| 13 | W | 76.6 | Confident | 65.5 | Low | 13 Ų | 13 | 75.6 Ų | 75.6 | 5% | 0.049 | 42% | 0.42 | C | S | . | . | trans | -94.6 | 137 | -171.6 | -61.3 | 9.1 | 0 | 0 | 0 | 112.5 | F11 P15 R21 D143 M144 V147 R194 Q260 | F11-W13 HydrophobicContact CD1-CB 4.37Å; F11-W13 HydrophobicContact CE1-CB 3.57Å; F11-W13 HydrophobicContact CE1-CG 4.31Å; F11-W13 WeakPolarHBondContact CE1-O 3.43Å; F11-W13 HydrophobicContact CE2-CB 4.49Å; F11-W13 HydrophobicContact CE2-CG 4.41Å; F11-W13 HydrophobicContact CZ-CB 3.64Å; F11-W13 HydrophobicContact CZ-CD2 4.17Å; F11-W13 HydrophobicContact CZ-CE3 4.33Å; F11-W13 AromaticContact CZ-CG 3.94Å; F11-W13 HydrophobicContact CZ-CG 3.94Å; W13-P15 WeakPolarHBondContact O-CD 3.47Å; W13-R21 VanDerWaalsContact CD2-NH1 3.29Å; W13-R21 HydrophobicContact CH2-CB 4.31Å; W13-D143 WeakPolarHBondContact CH2-OD2 3.28Å; W13-M144 HydrophobicContact CB-CE 3.89Å; W13-M144 HydrophobicContact CE3-CG 3.47Å; W13-M144 VanDerWaalsContact CE3-CG 3.47Å; W13-M144 HydrophobicContact CZ3-CG 3.92Å; W13-V147 HydrophobicContact CH2-CG2 3.67Å; W13-V147 HydrophobicContact CZ2-CG2 4.03Å; W13-V147 HydrophobicContact CZ3-CG2 4.27Å; W13-R194 VanDerWaalsContact CZ2-NH2 3.26Å; W13-Q260 PolarHBondContact NE1-O 3.35Å | ||
| 14 | D | 74.1 | Confident | 67.8 | Low | 90 Ų | 90 | 72.6 Ų | 72.6 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | trans | -83 | 117.4 | 174 | -179.5 | 5.6 | 0 | 0 | 0 | 110.9 | K16 S17 | D14-K16 PolarHBondContact O-N 3.08Å; D14-K16 VanDerWaalsContact O-N 3.1Å; D14-K16 WeakPolarHBondContact OD1-CB 2.92Å; D14-K16 PolarHBondContact OD1-N 3.04Å; D14-S17 WeakPolarHBondContact O-CB 3.46Å; D14-S17 PolarHBondContact O-N 3.19Å; D14-S17 VanDerWaalsContact O-N 3.13Å | ||
| 15 | P | 68.9 | Low | 69.9 | Low | 44 Ų | 44 | 69.5 Ų | 69.5 | 29% | 0.286 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -14.1 | 177.7 | -16.8 | 27.6 | 0 | 0 | 0 | 115 | W13 L86 L141 M144 | W13-P15 WeakPolarHBondContact O-CD 3.47Å; P15-L86 HydrophobicContact CB-CD1 4.36Å; P15-L86 HydrophobicContact CB-CD2 4.37Å; P15-L86 HydrophobicContact CG-CD1 4.3Å; P15-L86 HydrophobicContact CG-CD2 4.07Å; P15-L141 HydrophobicContact CB-CD2 4.18Å; P15-M144 HydrophobicContact CB-CE 3.93Å; P15-M144 HydrophobicContact CB-SD 4.4Å; P15-M144 HydrophobicContact CG-CE 3.77Å |
| 16 | K | 69.3 | Low | 72 | Confident | 177 Ų | 177 | 65 Ų | 65 | 77% | 0.77 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -11.6 | 178.8 | -62.3 | -179.6 | -178.4 | 175.6 | 0 | 113.2 | D14 | D14-K16 PolarHBondContact O-N 3.08Å; D14-K16 VanDerWaalsContact O-N 3.1Å; D14-K16 WeakPolarHBondContact OD1-CB 2.92Å; D14-K16 PolarHBondContact OD1-N 3.04Å |
| 17 | S | 74.1 | Confident | 73.7 | Confident | 38 Ų | 38 | 70.1 Ų | 70.1 | 27% | 0.266 | 36% | 0.362 | S | S | . | . | trans | -74.9 | 135.8 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | D14 E19 | D14-S17 WeakPolarHBondContact O-CB 3.46Å; D14-S17 PolarHBondContact O-N 3.19Å; D14-S17 VanDerWaalsContact O-N 3.13Å; S17-E19 VanDerWaalsContact C-N 3.33Å; S17-E19 WeakPolarHBondContact OG-CB 3.47Å; S17-E19 PolarHBondContact OG-N 3.17Å | ||
| 18 | L | 68.1 | Low | 75.4 | Confident | 92 Ų | 92 | 70.8 Ų | 70.8 | 48% | 0.482 | 35% | 0.349 | S | S | . | . | trans | -97.6 | 21.9 | 172.7 | -66.9 | 177.2 | 0 | 0 | 0 | 112.4 | I20 R137 I140 | L18-I20 PolarHBondContact O-N 3.39Å; L18-R137 HydrophobicContact CD2-CB 3.84Å; L18-R137 HydrophobicContact CD2-CG 4.11Å; L18-I140 VanDerWaalsContact C-CD1 3.45Å | ||
| 19 | E | 74.1 | Confident | 76.6 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | trans | -72.9 | 121.1 | 178.3 | -170.2 | -168.6 | 177.5 | 0 | 0 | 110.9 | S17 R21 | S17-E19 VanDerWaalsContact C-N 3.33Å; S17-E19 WeakPolarHBondContact OG-CB 3.47Å; S17-E19 PolarHBondContact OG-N 3.17Å; E19-R21 HydrophobicContact CG-CG 4.26Å; E19-R21 PolarHBondContact O-N 2.89Å; E19-R21 IonicContact OE2-CZ 2.7Å; E19-R21 IonicContact OE2-NE 3.87Å; E19-R21 PolarHBondContact OE2-NE 2.86Å; E19-R21 IonicContact OE2-NH2 3.39Å; E19-R21 PolarHBondContact OE2-NH2 3.37Å | ||
| 20 | I | 76.6 | Confident | 76.8 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | trans | -79.8 | 110.2 | 176.4 | -61.1 | 169.6 | 0 | 0 | 0 | 109.2 | L18 V25 E26 L29 T136 I140 K199 | L18-I20 PolarHBondContact O-N 3.39Å; I20-V25 HydrophobicContact CB-CG1 4.49Å; I20-V25 HydrophobicContact CG1-CG1 4.2Å; I20-V25 HydrophobicContact CG2-CB 3.88Å; I20-V25 HydrophobicContact CG2-CG1 3.68Å; I20-E26 HydrophobicContact CG2-CG 3.6Å; I20-L29 HydrophobicContact CD1-CD1 3.7Å; I20-L29 HydrophobicContact CG1-CD1 4.48Å; I20-T136 HydrophobicContact CD1-CG2 4.05Å; I20-T136 HydrophobicContact CG1-CG2 3.98Å; I20-I140 HydrophobicContact CG1-CD1 4.38Å; I20-K199 PolarHBondContact O-NZ 2.91Å | ||
| 21 | R | 73.8 | Confident | 77 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 12% | 0.117 | 32% | 0.319 | C | S | . | . | trans | -99.6 | -12.5 | -171.5 | -67.1 | 174 | 179.9 | -165 | -4 | 115 | W13 E19 | W13-R21 VanDerWaalsContact CD2-NH1 3.29Å; W13-R21 HydrophobicContact CH2-CB 4.31Å; E19-R21 HydrophobicContact CG-CG 4.26Å; E19-R21 PolarHBondContact O-N 2.89Å; E19-R21 IonicContact OE2-CZ 2.7Å; E19-R21 IonicContact OE2-NE 3.87Å; E19-R21 PolarHBondContact OE2-NE 2.86Å; E19-R21 IonicContact OE2-NH2 3.39Å; E19-R21 PolarHBondContact OE2-NH2 3.37Å | ||
| 22 | T | 78.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -129.9 | 150.2 | -174.3 | 49.7 | 0 | 0 | 0 | 0 | 113.7 | A24 V25 E26 D143 E197 | T22-A24 PolarHBondContact O-N 3.49Å; T22-V25 PolarHBondContact O-N 2.91Å; T22-V25 VanDerWaalsContact OG1-CG2 3.24Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.4Å; T22-E26 PolarHBondContact O-N 3Å; T22-D143 WeakPolarHBondContact CG2-OD2 3.27Å; T22-D143 PolarHBondContact OG1-OD2 3.31Å; T22-E197 WeakPolarHBondContact CA-O 3.4Å; T22-E197 HydrophobicContact CG2-CB 4.04Å |
| 23 | L | 79.6 | Confident | 76.7 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.4 | -29.1 | 172.6 | -66.4 | 173 | 0 | 0 | 0 | 112 | E26 R27 E197 K199 | L23-E26 PolarHBondContact O-N 3.47Å; L23-R27 WeakPolarHBondContact O-CB 3.28Å; L23-R27 VanDerWaalsContact O-CG 3.26Å; L23-R27 WeakPolarHBondContact O-CG 3.09Å; L23-R27 PolarHBondContact O-N 3.37Å; L23-E197 PolarHBondContact N-O 2.98Å; L23-K199 HydrophobicContact CD2-CG 4.13Å; L23-K199 HydrophobicContact CG-CG 4.1Å |
| 24 | A | 81.3 | Confident | 76.5 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 22% | 0.223 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T22 E26 R27 L28 E197 | T22-A24 PolarHBondContact O-N 3.49Å; A24-E26 VanDerWaalsContact C-N 3.33Å; A24-E26 PolarHBondContact O-N 3.23Å; A24-R27 PolarHBondContact O-N 3.32Å; A24-L28 WeakPolarHBondContact O-CB 3.34Å; A24-L28 VanDerWaalsContact O-CG 3.25Å; A24-L28 WeakPolarHBondContact O-CG 3.31Å; A24-L28 PolarHBondContact O-N 2.69Å; A24-E197 HydrophobicContact CB-CG 4.03Å |
| 25 | V | 82.6 | Confident | 76.3 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | I20 T22 L28 L29 L139 D143 | I20-V25 HydrophobicContact CB-CG1 4.49Å; I20-V25 HydrophobicContact CG1-CG1 4.2Å; I20-V25 HydrophobicContact CG2-CB 3.88Å; I20-V25 HydrophobicContact CG2-CG1 3.68Å; T22-V25 PolarHBondContact O-N 2.91Å; T22-V25 VanDerWaalsContact OG1-CG2 3.24Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.4Å; V25-L28 PolarHBondContact O-N 3.27Å; V25-L29 HydrophobicContact CG1-CD1 3.78Å; V25-L29 HydrophobicContact CG1-CG 4.42Å; V25-L29 WeakPolarHBondContact O-CB 3.49Å; V25-L29 VanDerWaalsContact O-CG 3.28Å; V25-L29 WeakPolarHBondContact O-CG 3.45Å; V25-L29 PolarHBondContact O-N 3.13Å; V25-L139 HydrophobicContact CG1-CB 3.94Å; V25-L139 HydrophobicContact CG1-CD1 4.45Å; V25-L139 HydrophobicContact CG2-CB 4.2Å; V25-D143 HydrophobicContact CG2-CB 4.21Å |
| 26 | E | 81.8 | Confident | 76.4 | Confident | 79 Ų | 79 | 58.9 Ų | 58.9 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62 | -50.4 | 176 | -67.6 | -178.9 | 155.2 | 0 | 0 | 112.4 | I20 T22 L23 A24 L28 L29 E30 K199 | I20-E26 HydrophobicContact CG2-CG 3.6Å; T22-E26 PolarHBondContact O-N 3Å; L23-E26 PolarHBondContact O-N 3.47Å; A24-E26 VanDerWaalsContact C-N 3.33Å; A24-E26 PolarHBondContact O-N 3.23Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.28Å; E26-L29 PolarHBondContact O-N 3.4Å; E26-L29 VanDerWaalsContact O-N 3.14Å; E26-E30 WeakPolarHBondContact O-CB 3.5Å; E26-E30 PolarHBondContact O-N 3.47Å; E26-K199 VanDerWaalsContact CD-CE 3.41Å; E26-K199 WeakPolarHBondContact OE1-CE 3.43Å; E26-K199 IonicContact OE1-NZ 3.25Å; E26-K199 PolarHBondContact OE1-NZ 3.49Å; E26-K199 WeakPolarHBondContact OE2-CE 3.43Å; E26-K199 IonicContact OE2-NZ 2.94Å |
| 27 | R | 81.4 | Confident | 76.5 | Confident | 171 Ų | 171 | 53.5 Ų | 53.5 | 65% | 0.645 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61 | -36.7 | 178.4 | -73.2 | 172.9 | -179.9 | 174.6 | 1.8 | 112.5 | L23 A24 P31 | L23-R27 WeakPolarHBondContact O-CB 3.28Å; L23-R27 VanDerWaalsContact O-CG 3.26Å; L23-R27 WeakPolarHBondContact O-CG 3.09Å; L23-R27 PolarHBondContact O-N 3.37Å; A24-R27 PolarHBondContact O-N 3.32Å; R27-P31 VanDerWaalsContact O-CD 3.23Å; R27-P31 WeakPolarHBondContact O-CD 3.12Å |
| 28 | L | 80.7 | Confident | 76.2 | Confident | 83 Ų | 83 | 55 Ų | 55 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.5 | -34.2 | 176.8 | -72.1 | 173.4 | 0 | 0 | 0 | 112 | A24 V25 E26 F72 L139 | A24-L28 WeakPolarHBondContact O-CB 3.34Å; A24-L28 VanDerWaalsContact O-CG 3.25Å; A24-L28 WeakPolarHBondContact O-CG 3.31Å; A24-L28 PolarHBondContact O-N 2.69Å; V25-L28 PolarHBondContact O-N 3.27Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.28Å; L28-F72 WeakPolarHBondContact O-CZ 3.39Å; L28-L139 HydrophobicContact CB-CD1 3.98Å; L28-L139 HydrophobicContact CB-CD2 4.46Å; L28-L139 HydrophobicContact CD1-CD2 3.97Å |
| 29 | L | 81.9 | Confident | 76 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76.1 | -32.7 | 177.3 | -75.1 | 170.4 | 0 | 0 | 0 | 113.3 | I20 V25 E26 L32 V33 L132 V135 T136 L139 | I20-L29 HydrophobicContact CD1-CD1 3.7Å; I20-L29 HydrophobicContact CG1-CD1 4.48Å; V25-L29 HydrophobicContact CG1-CD1 3.78Å; V25-L29 HydrophobicContact CG1-CG 4.42Å; V25-L29 WeakPolarHBondContact O-CB 3.49Å; V25-L29 VanDerWaalsContact O-CG 3.28Å; V25-L29 WeakPolarHBondContact O-CG 3.45Å; V25-L29 PolarHBondContact O-N 3.13Å; E26-L29 PolarHBondContact O-N 3.4Å; E26-L29 VanDerWaalsContact O-N 3.14Å; L29-L32 WeakPolarHBondContact O-CB 3.4Å; L29-L32 PolarHBondContact O-N 3.23Å; L29-V33 HydrophobicContact CB-CG2 4.39Å; L29-V33 WeakPolarHBondContact O-CG2 3.13Å; L29-V33 PolarHBondContact O-N 3.32Å; L29-L132 HydrophobicContact CD2-CD1 4.12Å; L29-V135 HydrophobicContact CD2-CG1 3.88Å; L29-T136 HydrophobicContact CD1-CG2 4.01Å; L29-L139 HydrophobicContact CD1-CD1 4.49Å; L29-L139 HydrophobicContact CD2-CD1 3.71Å; L29-L139 HydrophobicContact CG-CD1 3.67Å |
| 30 | E | 78.3 | Confident | 75.6 | Confident | 124 Ų | 124 | 49.2 Ų | 49.2 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -52.7 | -45.3 | -172 | 177.1 | 175.2 | -156.2 | 0 | 0 | 114.7 | E26 L32 V33 T34 | E26-E30 WeakPolarHBondContact O-CB 3.5Å; E26-E30 PolarHBondContact O-N 3.47Å; E30-L32 PolarHBondContact O-N 3.35Å; E30-V33 PolarHBondContact O-N 3.21Å; E30-T34 VanDerWaalsContact O-CB 3.31Å; E30-T34 WeakPolarHBondContact O-CB 3.41Å; E30-T34 PolarHBondContact O-N 3.29Å; E30-T34 PolarHBondContact O-OG1 3.07Å |
| 31 | P | 76.4 | Confident | 74.8 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 43% | 0.429 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 175.8 | -23.6 | 33.7 | 0 | 0 | 0 | 112.5 | R27 T34 Q35 | R27-P31 VanDerWaalsContact O-CD 3.23Å; R27-P31 WeakPolarHBondContact O-CD 3.12Å; P31-T34 PolarHBondContact O-N 3.38Å; P31-Q35 WeakPolarHBondContact O-CB 3.46Å; P31-Q35 WeakPolarHBondContact O-CG 3.5Å; P31-Q35 PolarHBondContact O-N 3.04Å |
| 32 | L | 76.1 | Confident | 73.9 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -44.4 | 179.3 | -176.3 | 64.8 | 0 | 0 | 0 | 110.7 | L29 E30 T34 Q35 V36 V65 A68 F72 L132 V135 | L29-L32 WeakPolarHBondContact O-CB 3.4Å; L29-L32 PolarHBondContact O-N 3.23Å; E30-L32 PolarHBondContact O-N 3.35Å; L32-T34 VanDerWaalsContact C-N 3.32Å; L32-T34 PolarHBondContact O-N 3.32Å; L32-Q35 PolarHBondContact O-N 3.02Å; L32-V36 HydrophobicContact CD1-CG2 4.17Å; L32-V36 HydrophobicContact CG-CG2 4.36Å; L32-V36 VanDerWaalsContact O-CB 3.25Å; L32-V36 WeakPolarHBondContact O-CB 3.34Å; L32-V36 VanDerWaalsContact O-CG2 3.25Å; L32-V36 WeakPolarHBondContact O-CG2 3.27Å; L32-V36 PolarHBondContact O-N 3.48Å; L32-V65 HydrophobicContact CD1-CG1 4.26Å; L32-A68 HydrophobicContact CD1-CB 4.47Å; L32-F72 HydrophobicContact CB-CE2 4.4Å; L32-F72 HydrophobicContact CD2-CE2 4.11Å; L32-L132 HydrophobicContact CD2-CD1 4.33Å; L32-V135 HydrophobicContact CD2-CB 3.97Å; L32-V135 HydrophobicContact CD2-CG1 3.89Å; L32-V135 HydrophobicContact CD2-CG2 3.87Å |
| 33 | V | 77.1 | Confident | 72.5 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 175 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L29 E30 T37 L132 | L29-V33 HydrophobicContact CB-CG2 4.39Å; L29-V33 WeakPolarHBondContact O-CG2 3.13Å; L29-V33 PolarHBondContact O-N 3.32Å; E30-V33 PolarHBondContact O-N 3.21Å; V33-T37 WeakPolarHBondContact O-CB 3.44Å; V33-T37 PolarHBondContact O-N 3.45Å; V33-T37 PolarHBondContact O-OG1 3.44Å; V33-L132 HydrophobicContact CG2-CD1 3.57Å; V33-L132 HydrophobicContact CG2-CD2 4.12Å; V33-L132 HydrophobicContact CG2-CG 4.5Å |
| 34 | T | 72.2 | Confident | 70.6 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 47% | 0.466 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | -179.6 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | E30 P31 L32 T37 T38 | E30-T34 VanDerWaalsContact O-CB 3.31Å; E30-T34 WeakPolarHBondContact O-CB 3.41Å; E30-T34 PolarHBondContact O-N 3.29Å; E30-T34 PolarHBondContact O-OG1 3.07Å; P31-T34 PolarHBondContact O-N 3.38Å; L32-T34 VanDerWaalsContact C-N 3.32Å; L32-T34 PolarHBondContact O-N 3.32Å; T34-T37 PolarHBondContact O-N 3.3Å; T34-T38 VanDerWaalsContact O-CB 3.28Å; T34-T38 WeakPolarHBondContact O-CB 3.4Å; T34-T38 PolarHBondContact O-N 2.94Å; T34-T38 PolarHBondContact O-OG1 3.46Å |
| 35 | Q | 70 | Confident | 68.9 | Low | 44 Ų | 44 | 63.8 Ų | 63.8 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 179.2 | -70.8 | 172.5 | 19.7 | 0 | 0 | 111.7 | P31 L32 T38 L39 S64 V65 | P31-Q35 WeakPolarHBondContact O-CB 3.46Å; P31-Q35 WeakPolarHBondContact O-CG 3.5Å; P31-Q35 PolarHBondContact O-N 3.04Å; L32-Q35 PolarHBondContact O-N 3.02Å; Q35-T38 PolarHBondContact O-N 2.84Å; Q35-L39 WeakPolarHBondContact O-CB 3.41Å; Q35-L39 PolarHBondContact O-N 3.09Å; Q35-S64 PolarHBondContact NE2-OG 2.97Å; Q35-S64 VanDerWaalsContact NE2-OG 3.17Å; Q35-S64 PolarHBondContact OE1-O 2.93Å; Q35-S64 PolarHBondContact OE1-OG 3.15Å; Q35-V65 HydrophobicContact CB-CG2 3.99Å |
| 36 | V | 70.6 | Confident | 67.1 | Low | 10 Ų | 10 | 66.5 Ų | 66.5 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 174.6 | 164.6 | 0 | 0 | 0 | 0 | 110.5 | L32 T38 L39 V40 A128 | L32-V36 HydrophobicContact CD1-CG2 4.17Å; L32-V36 HydrophobicContact CG-CG2 4.36Å; L32-V36 VanDerWaalsContact O-CB 3.25Å; L32-V36 WeakPolarHBondContact O-CB 3.34Å; L32-V36 VanDerWaalsContact O-CG2 3.25Å; L32-V36 WeakPolarHBondContact O-CG2 3.27Å; L32-V36 PolarHBondContact O-N 3.48Å; V36-T38 VanDerWaalsContact C-N 3.31Å; V36-T38 PolarHBondContact O-N 3.25Å; V36-L39 PolarHBondContact O-N 2.86Å; V36-V40 HydrophobicContact CG1-CG2 4.1Å; V36-V40 WeakPolarHBondContact O-CB 3.41Å; V36-V40 WeakPolarHBondContact O-CG2 3.32Å; V36-V40 PolarHBondContact O-N 3.33Å; V36-A128 HydrophobicContact CG1-CB 3.54Å; V36-A128 HydrophobicContact CG2-CB 4.26Å |
| 37 | T | 71.1 | Confident | 65.2 | Low | 63 Ų | 63 | 68.1 Ų | 68.1 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | -179.9 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | V33 T34 V40 N41 | V33-T37 WeakPolarHBondContact O-CB 3.44Å; V33-T37 PolarHBondContact O-N 3.45Å; V33-T37 PolarHBondContact O-OG1 3.44Å; T34-T37 PolarHBondContact O-N 3.3Å; T37-V40 PolarHBondContact O-N 3.13Å; T37-N41 VanDerWaalsContact CG2-ND2 3.31Å; T37-N41 WeakPolarHBondContact CG2-ND2 3.47Å; T37-N41 WeakPolarHBondContact O-CB 3.27Å; T37-N41 VanDerWaalsContact O-CG 3.27Å; T37-N41 PolarHBondContact O-N 3.06Å; T37-N41 PolarHBondContact O-ND2 3.23Å |
| 38 | T | 67.5 | Low | 63.5 | Low | 69 Ų | 69 | 63.9 Ų | 63.9 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | T34 Q35 V36 N41 T42 L61 | T34-T38 VanDerWaalsContact O-CB 3.28Å; T34-T38 WeakPolarHBondContact O-CB 3.4Å; T34-T38 PolarHBondContact O-N 2.94Å; T34-T38 PolarHBondContact O-OG1 3.46Å; Q35-T38 PolarHBondContact O-N 2.84Å; V36-T38 VanDerWaalsContact C-N 3.31Å; V36-T38 PolarHBondContact O-N 3.25Å; T38-N41 PolarHBondContact O-N 3.2Å; T38-T42 WeakPolarHBondContact O-CG2 3.3Å; T38-T42 PolarHBondContact O-N 3.11Å; T38-L61 HydrophobicContact CG2-CD1 3.99Å; T38-L61 HydrophobicContact CG2-CD2 4.32Å |
| 39 | L | 65.5 | Low | 61.9 | Low | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 178.4 | -173.9 | 64.9 | 0 | 0 | 0 | 111.9 | Q35 V36 N41 T42 L61 M104 A108 F111 M124 | Q35-L39 WeakPolarHBondContact O-CB 3.41Å; Q35-L39 PolarHBondContact O-N 3.09Å; V36-L39 PolarHBondContact O-N 2.86Å; L39-N41 PolarHBondContact O-N 3.44Å; L39-T42 PolarHBondContact O-N 3.35Å; L39-T42 PolarHBondContact O-OG1 3.38Å; L39-L61 HydrophobicContact CD1-CB 3.92Å; L39-L61 HydrophobicContact CD1-CD1 4.35Å; L39-M104 HydrophobicContact CD2-CE 3.47Å; L39-M104 VanDerWaalsContact CD2-CE 3.47Å; L39-A108 HydrophobicContact CD2-CB 4.31Å; L39-F111 HydrophobicContact CD1-CD1 4.42Å; L39-F111 HydrophobicContact CD1-CE1 4.29Å; L39-M124 HydrophobicContact CD2-CG 4.31Å; L39-M124 HydrophobicContact CD2-SD 3.98Å; L39-M124 HydrophobicContact CG-SD 3.88Å |
| 40 | V | 64.4 | Low | 60.1 | Low | 27 Ų | 27 | 76.5 Ų | 76.5 | 16% | 0.164 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 178.5 | 167 | 0 | 0 | 0 | 0 | 112.2 | V36 T37 R121 M124 V125 | V36-V40 HydrophobicContact CG1-CG2 4.1Å; V36-V40 WeakPolarHBondContact O-CB 3.41Å; V36-V40 WeakPolarHBondContact O-CG2 3.32Å; V36-V40 PolarHBondContact O-N 3.33Å; T37-V40 PolarHBondContact O-N 3.13Å; V40-R121 PolarHBondContact O-NE 3.02Å; V40-R121 PolarHBondContact O-NH2 3.11Å; V40-M124 HydrophobicContact CG2-SD 4.14Å; V40-V125 HydrophobicContact CB-CG2 4.32Å; V40-V125 HydrophobicContact CG1-CG1 4.37Å; V40-V125 HydrophobicContact CG1-CG2 3.79Å; V40-V125 HydrophobicContact CG2-CG2 3.98Å |
| 41 | N | 60.5 | Low | 58.6 | Low | 97 Ų | 97 | 80.7 Ų | 80.7 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 2.3 | -176.2 | -72.7 | -26.4 | 0 | 0 | 0 | 114.7 | T37 T38 L39 N43 | T37-N41 VanDerWaalsContact CG2-ND2 3.31Å; T37-N41 WeakPolarHBondContact CG2-ND2 3.47Å; T37-N41 WeakPolarHBondContact O-CB 3.27Å; T37-N41 VanDerWaalsContact O-CG 3.27Å; T37-N41 PolarHBondContact O-N 3.06Å; T37-N41 PolarHBondContact O-ND2 3.23Å; T38-N41 PolarHBondContact O-N 3.2Å; L39-N41 PolarHBondContact O-N 3.44Å; N41-N43 PolarHBondContact O-N 3.12Å |
| 42 | T | 53.4 | Low | 57.3 | Low | 50 Ų | 50 | 89.9 Ų | 89.9 | 31% | 0.307 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -8.9 | -175.5 | 49.3 | 0 | 0 | 0 | 0 | 116.5 | T38 L39 L61 F111 | T38-T42 WeakPolarHBondContact O-CG2 3.3Å; T38-T42 PolarHBondContact O-N 3.11Å; L39-T42 PolarHBondContact O-N 3.35Å; L39-T42 PolarHBondContact O-OG1 3.38Å; T42-L61 HydrophobicContact CG2-CD1 4.36Å; T42-F111 WeakPolarHBondContact OG1-CZ 3.49Å |
| 43 | N | 50.7 | Low | 56 | Low | 84 Ų | 84 | 92.7 Ų | 92.7 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -164.6 | 94.8 | 165.1 | -96.5 | -29.8 | 0 | 0 | 0 | 111.5 | N41 K45 R121 | N41-N43 PolarHBondContact O-N 3.12Å; N43-K45 VanDerWaalsContact C-N 3.27Å; N43-R121 PolarHBondContact O-NH1 3.32Å; N43-R121 PolarHBondContact O-NH2 2.91Å |
| 44 | S | 39 | Very low | 54.7 | Low | 103 Ų | 103 | 99.8 Ų | 99.8 | 72% | 0.72 | 53% | 0.534 | S | S | * | . | trans | -84 | 2.6 | 168.3 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 45 | K | 44.8 | Very low | 53.5 | Low | 125 Ų | 125 | 98 Ų | 98 | 54% | 0.543 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -106.6 | 130.8 | 175.3 | -63.5 | -173.4 | -179.8 | -176.9 | 0 | 108.4 | N43 | N43-K45 VanDerWaalsContact C-N 3.27Š|
| 46 | G | 46.4 | Very low | 52.7 | Low | 63 Ų | 63 | 105.4 Ų | 105.4 | 65% | 0.649 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S48 | G46-S48 PolarHBondContact O-N 3.34Å; G46-S48 VanDerWaalsContact O-N 3.14Å |
| 47 | P | 41.3 | Very low | 52.4 | Low | 112 Ų | 112 | 111.9 Ų | 111.9 | 73% | 0.727 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -54 | 121.2 | -168.5 | 21.2 | -31.6 | 0 | 0 | 0 | 111.4 | ||
| 48 | S | 45.3 | Very low | 52.1 | Low | 83 Ų | 83 | 109 Ų | 109 | 58% | 0.58 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -71 | 128.9 | 170.5 | 165.8 | 0 | 0 | 0 | 0 | 109 | G46 K50 | G46-S48 PolarHBondContact O-N 3.34Å; G46-S48 VanDerWaalsContact O-N 3.14Å; S48-K50 PolarHBondContact O-N 3.08Å; S48-K50 PolarHBondContact OG-N 2.97Å |
| 49 | N | 47.3 | Very low | 52.3 | Low | 174 Ų | 174 | 109.4 Ų | 109.4 | 93% | 0.93 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -68.9 | 19.1 | 174.6 | -79.7 | -12.6 | 0 | 0 | 0 | 114.1 | ||
| 50 | K | 43.8 | Very low | 52.8 | Low | 181 Ų | 181 | 114.2 Ų | 114.2 | 79% | 0.787 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -100.2 | 138 | 176.8 | -69.8 | -170.4 | 176.9 | -175.9 | 0 | 111.3 | S48 | S48-K50 PolarHBondContact O-N 3.08Å; S48-K50 PolarHBondContact OG-N 2.97Å |
| 51 | K | 46.6 | Very low | 53.1 | Low | 213 Ų | 213 | 114.7 Ų | 114.7 | 93% | 0.926 | 59% | 0.593 | S | S | * | * | trans | -47.9 | 145.3 | -173.1 | -80.4 | -178.8 | 174.8 | 178.5 | 0 | 114.4 | G53 | K51-G53 PolarHBondContact O-N 3.32Š| ||
| 52 | R | 49.6 | Very low | 53.9 | Low | 259 Ų | 259 | 110.8 Ų | 110.8 | 98% | 0.977 | 57% | 0.574 | S | S | * | * | trans | -38.2 | 117.5 | 175.2 | -62.9 | 179.2 | -178.4 | -175.4 | -0.5 | 112.7 | ||||
| 53 | G | 47.8 | Very low | 55.1 | Low | 60 Ų | 60 | 110.8 Ų | 110.8 | 62% | 0.619 | 58% | 0.58 | S | S | * | * | trans | -149.2 | 130.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K51 S55 | K51-G53 PolarHBondContact O-N 3.32Å; G53-S55 PolarHBondContact O-N 3.36Å | ||
| 54 | R | 50.2 | Low | 56.5 | Low | 201 Ų | 201 | 108.6 Ų | 108.6 | 76% | 0.758 | 57% | 0.571 | S | S | * | * | trans | -53.2 | 133.7 | 178 | -66 | 177.6 | 177.8 | 171.2 | -2.2 | 110.5 | K56 | R54-K56 PolarHBondContact O-N 3.07Å; R54-K56 VanDerWaalsContact O-N 3.07Å | ||
| 55 | S | 48.2 | Very low | 58.5 | Low | 39 Ų | 39 | 103.8 Ų | 103.8 | 27% | 0.273 | 54% | 0.537 | S | S | . | . | trans | -71.6 | 102.9 | 169.2 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | G53 K57 A58 | G53-S55 PolarHBondContact O-N 3.36Å; S55-K57 PolarHBondContact O-N 2.93Å; S55-A58 PolarHBondContact O-N 2.83Å; S55-A58 VanDerWaalsContact O-N 3.09Å; S55-A58 PolarHBondContact OG-N 3.44Å | ||
| 56 | K | 53.5 | Low | 60.3 | Low | 200 Ų | 200 | 101.7 Ų | 101.7 | 87% | 0.87 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -18.7 | -179.4 | -71.6 | -173.3 | 177.8 | -176.3 | 0 | 114 | R54 | R54-K56 PolarHBondContact O-N 3.07Å; R54-K56 VanDerWaalsContact O-N 3.07Å |
| 57 | K | 62.5 | Low | 62.1 | Low | 146 Ų | 146 | 104.9 Ų | 104.9 | 64% | 0.635 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -16.8 | -179.1 | -66.6 | -171.8 | 176.7 | -172.4 | 0 | 114.6 | S55 V60 L61 | S55-K57 PolarHBondContact O-N 2.93Å; K57-V60 PolarHBondContact O-N 2.87Å; K57-L61 WeakPolarHBondContact O-CG 3.47Å; K57-L61 PolarHBondContact O-N 3.41Å; K57-L61 VanDerWaalsContact O-N 3.1Å |
| 58 | A | 65.8 | Low | 64.1 | Low | 2 Ų | 2 | 100.3 Ų | 100.3 | 2% | 0.017 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -68.7 | -42 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S55 V60 L61 A62 A112 | S55-A58 PolarHBondContact O-N 2.83Å; S55-A58 VanDerWaalsContact O-N 3.09Å; S55-A58 PolarHBondContact OG-N 3.44Å; A58-V60 VanDerWaalsContact C-N 3.32Å; A58-V60 PolarHBondContact O-N 3.32Å; A58-L61 PolarHBondContact O-N 3.23Å; A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 3.45Å; A58-A112 HydrophobicContact CB-CB 3.77Å |
| 59 | H | 72.2 | Confident | 66.1 | Low | 78 Ų | 78 | 96.8 Ų | 96.8 | 36% | 0.361 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.1 | -35.8 | 174.8 | -70 | -76.2 | 0 | 0 | 0 | 112.7 | A62 A63 A112 D113 | H59-A62 PolarHBondContact O-N 3.01Å; H59-A63 WeakPolarHBondContact O-CB 3.32Å; H59-A63 PolarHBondContact O-N 3.15Å; H59-A112 VanDerWaalsContact CE1-CB 3.47Å; H59-A112 WeakPolarHBondContact CE1-CB 3.43Å; H59-A112 WeakPolarHBondContact ND1-CB 3.21Å; H59-D113 IonicContact CE1-OD1 3Å; H59-D113 PolarHBondContact CE1-OD1 3.02Å; H59-D113 VanDerWaalsContact CE1-OD1 3.26Å; H59-D113 IonicContact NE2-OD1 3.89Å |
| 60 | V | 76.3 | Confident | 68 | Low | 102 Ų | 102 | 93.2 Ų | 93.2 | 62% | 0.618 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.4 | -42.7 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | K57 A58 S64 | K57-V60 PolarHBondContact O-N 2.87Å; A58-V60 VanDerWaalsContact C-N 3.32Å; A58-V60 PolarHBondContact O-N 3.32Å; V60-S64 WeakPolarHBondContact O-CB 3.4Å; V60-S64 PolarHBondContact O-N 3.16Å |
| 61 | L | 69.9 | Low | 70 | Confident | 37 Ų | 37 | 88.3 Ų | 88.3 | 19% | 0.194 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 176.2 | -70.3 | 171.7 | 0 | 0 | 0 | 112.1 | T38 L39 T42 K57 A58 S64 V65 | T38-L61 HydrophobicContact CG2-CD1 3.99Å; T38-L61 HydrophobicContact CG2-CD2 4.32Å; L39-L61 HydrophobicContact CD1-CB 3.92Å; L39-L61 HydrophobicContact CD1-CD1 4.35Å; T42-L61 HydrophobicContact CG2-CD1 4.36Å; K57-L61 WeakPolarHBondContact O-CG 3.47Å; K57-L61 PolarHBondContact O-N 3.41Å; K57-L61 VanDerWaalsContact O-N 3.1Å; A58-L61 PolarHBondContact O-N 3.23Å; L61-S64 WeakPolarHBondContact O-CB 3.36Å; L61-S64 PolarHBondContact O-N 3.42Å; L61-V65 WeakPolarHBondContact O-CG2 3.34Å; L61-V65 PolarHBondContact O-N 3.47Å |
| 62 | A | 77 | Confident | 71.9 | Confident | 14 Ų | 14 | 79.4 Ų | 79.4 | 12% | 0.116 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A58 H59 S64 V65 E66 A108 | A58-A62 WeakPolarHBondContact O-CB 3.32Å; A58-A62 PolarHBondContact O-N 3.45Å; H59-A62 PolarHBondContact O-N 3.01Å; A62-S64 VanDerWaalsContact C-N 3.32Å; A62-S64 PolarHBondContact O-N 3.28Å; A62-V65 PolarHBondContact O-N 3.32Å; A62-E66 PolarHBondContact O-N 3.41Å; A62-A108 HydrophobicContact CB-CB 3.8Å |
| 63 | A | 79.9 | Confident | 73.8 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H59 E66 Q67 | H59-A63 WeakPolarHBondContact O-CB 3.32Å; H59-A63 PolarHBondContact O-N 3.15Å; A63-E66 PolarHBondContact O-N 2.89Å; A63-Q67 WeakPolarHBondContact O-CB 3.49Å; A63-Q67 PolarHBondContact O-N 3.18Å |
| 64 | S | 79.8 | Confident | 75.8 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 26% | 0.259 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 174.9 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | Q35 V60 L61 A62 E66 Q67 A68 | Q35-S64 PolarHBondContact NE2-OG 2.97Å; Q35-S64 VanDerWaalsContact NE2-OG 3.17Å; Q35-S64 PolarHBondContact OE1-O 2.93Å; Q35-S64 PolarHBondContact OE1-OG 3.15Å; V60-S64 WeakPolarHBondContact O-CB 3.4Å; V60-S64 PolarHBondContact O-N 3.16Å; L61-S64 WeakPolarHBondContact O-CB 3.36Å; L61-S64 PolarHBondContact O-N 3.42Å; A62-S64 VanDerWaalsContact C-N 3.32Å; A62-S64 PolarHBondContact O-N 3.28Å; S64-E66 VanDerWaalsContact C-N 3.35Å; S64-Q67 PolarHBondContact O-N 3.06Å; S64-A68 WeakPolarHBondContact O-CB 3.17Å; S64-A68 PolarHBondContact O-N 3.39Å |
| 65 | V | 80.1 | Confident | 77.5 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | L32 Q35 L61 A62 A68 T69 M104 L131 | L32-V65 HydrophobicContact CD1-CG1 4.26Å; Q35-V65 HydrophobicContact CB-CG2 3.99Å; L61-V65 WeakPolarHBondContact O-CG2 3.34Å; L61-V65 PolarHBondContact O-N 3.47Å; A62-V65 PolarHBondContact O-N 3.32Å; V65-A68 PolarHBondContact O-N 3.37Å; V65-T69 WeakPolarHBondContact O-CB 3.41Å; V65-T69 PolarHBondContact O-N 3.12Å; V65-T69 PolarHBondContact O-OG1 2.94Å; V65-M104 HydrophobicContact CG1-CE 4.34Å; V65-M104 HydrophobicContact CG1-CG 4.08Å; V65-L131 HydrophobicContact CG1-CD2 4.01Å |
| 66 | E | 83.2 | Confident | 79.3 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 174.4 | -175.2 | 178.8 | 168.7 | 0 | 0 | 111.3 | A62 A63 S64 A68 T69 E70 K105 | A62-E66 PolarHBondContact O-N 3.41Å; A63-E66 PolarHBondContact O-N 2.89Å; S64-E66 VanDerWaalsContact C-N 3.35Å; E66-A68 VanDerWaalsContact C-N 3.34Å; E66-A68 PolarHBondContact O-N 3.39Å; E66-T69 WeakPolarHBondContact O-CB 3.2Å; E66-T69 PolarHBondContact O-N 2.68Å; E66-T69 VanDerWaalsContact O-N 3.13Å; E66-E70 PolarHBondContact O-N 3.15Å; E66-K105 VanDerWaalsContact CD-CE 3.41Å; E66-K105 HydrophobicContact CG-CD 4.19Å; E66-K105 WeakPolarHBondContact OE1-CD 3.23Å; E66-K105 WeakPolarHBondContact OE1-CE 3.39Å; E66-K105 IonicContact OE1-NZ 2.63Å; E66-K105 PolarHBondContact OE1-NZ 3.34Å; E66-K105 WeakPolarHBondContact OE2-CE 3.31Å; E66-K105 IonicContact OE2-NZ 3.04Å |
| 67 | Q | 84.8 | Confident | 80.9 | Confident | 130 Ų | 130 | 58.7 Ų | 58.7 | 61% | 0.607 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.2 | -41.2 | 177.6 | -173.8 | 179.5 | 10.3 | 0 | 0 | 112.3 | A63 S64 T69 E70 N71 | A63-Q67 WeakPolarHBondContact O-CB 3.49Å; A63-Q67 PolarHBondContact O-N 3.18Å; S64-Q67 PolarHBondContact O-N 3.06Å; Q67-T69 VanDerWaalsContact C-N 3.31Å; Q67-T69 PolarHBondContact O-N 3.46Å; Q67-E70 PolarHBondContact O-N 2.9Å; Q67-N71 VanDerWaalsContact O-CG 3.29Å; Q67-N71 PolarHBondContact O-N 2.98Å; Q67-N71 VanDerWaalsContact O-N 3.1Å; Q67-N71 PolarHBondContact O-ND2 2.81Å |
| 68 | A | 82.7 | Confident | 82.1 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L32 S64 V65 E66 N71 F72 | L32-A68 HydrophobicContact CD1-CB 4.47Å; S64-A68 WeakPolarHBondContact O-CB 3.17Å; S64-A68 PolarHBondContact O-N 3.39Å; V65-A68 PolarHBondContact O-N 3.37Å; E66-A68 VanDerWaalsContact C-N 3.34Å; E66-A68 PolarHBondContact O-N 3.39Å; A68-N71 PolarHBondContact O-N 2.96Å; A68-F72 WeakPolarHBondContact O-CD2 3.46Å; A68-F72 PolarHBondContact O-N 2.83Å |
| 69 | T | 86.1 | Confident | 83 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.6 | -53 | 0 | 0 | 0 | 0 | 111.3 | V65 E66 Q67 N71 F72 L73 V97 L131 | V65-T69 WeakPolarHBondContact O-CB 3.41Å; V65-T69 PolarHBondContact O-N 3.12Å; V65-T69 PolarHBondContact O-OG1 2.94Å; E66-T69 WeakPolarHBondContact O-CB 3.2Å; E66-T69 PolarHBondContact O-N 2.68Å; E66-T69 VanDerWaalsContact O-N 3.13Å; Q67-T69 VanDerWaalsContact C-N 3.31Å; Q67-T69 PolarHBondContact O-N 3.46Å; T69-N71 VanDerWaalsContact C-N 3.34Å; T69-N71 PolarHBondContact O-N 3.09Å; T69-F72 WeakPolarHBondContact O-CB 3.44Å; T69-F72 PolarHBondContact O-N 3.37Å; T69-F72 VanDerWaalsContact O-N 3.11Å; T69-L73 WeakPolarHBondContact O-CG 3.37Å; T69-L73 PolarHBondContact O-N 2.91Å; T69-V97 HydrophobicContact CG2-CG1 4.1Å; T69-L131 HydrophobicContact CG2-CD1 4.03Å |
| 70 | E | 87.4 | Confident | 83.7 | Confident | 99 Ų | 99 | 56.5 Ų | 56.5 | 46% | 0.463 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 176.7 | -163.3 | 63.8 | -148.5 | 0 | 0 | 111.6 | E66 Q67 F72 L73 E74 | E66-E70 PolarHBondContact O-N 3.15Å; Q67-E70 PolarHBondContact O-N 2.9Å; E70-F72 VanDerWaalsContact C-N 3.26Å; E70-F72 PolarHBondContact O-N 2.93Å; E70-L73 WeakPolarHBondContact O-CB 3.42Å; E70-L73 PolarHBondContact O-N 3.29Å; E70-E74 PolarHBondContact O-N 3.42Å |
| 71 | N | 86.9 | Confident | 84.2 | Confident | 77 Ų | 77 | 59 Ų | 59 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.7 | -35.4 | 175.9 | -70 | -23.9 | 0 | 0 | 0 | 112.7 | Q67 A68 T69 K75 | Q67-N71 VanDerWaalsContact O-CG 3.29Å; Q67-N71 PolarHBondContact O-N 2.98Å; Q67-N71 VanDerWaalsContact O-N 3.1Å; Q67-N71 PolarHBondContact O-ND2 2.81Å; A68-N71 PolarHBondContact O-N 2.96Å; T69-N71 VanDerWaalsContact C-N 3.34Å; T69-N71 PolarHBondContact O-N 3.09Å; N71-K75 WeakPolarHBondContact O-CG 3.46Å; N71-K75 PolarHBondContact O-N 3.48Å |
| 72 | F | 86.8 | Confident | 84.8 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 11% | 0.114 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.4 | -37.1 | 174.2 | -75.5 | -63.7 | 0 | 0 | 0 | 112 | L28 L32 A68 T69 E70 G76 V135 L139 | L28-F72 WeakPolarHBondContact O-CZ 3.39Å; L32-F72 HydrophobicContact CB-CE2 4.4Å; L32-F72 HydrophobicContact CD2-CE2 4.11Å; A68-F72 WeakPolarHBondContact O-CD2 3.46Å; A68-F72 PolarHBondContact O-N 2.83Å; T69-F72 WeakPolarHBondContact O-CB 3.44Å; T69-F72 PolarHBondContact O-N 3.37Å; T69-F72 VanDerWaalsContact O-N 3.11Å; E70-F72 VanDerWaalsContact C-N 3.26Å; E70-F72 PolarHBondContact O-N 2.93Å; F72-G76 WeakPolarHBondContact O-CA 3.35Å; F72-G76 PolarHBondContact O-N 2.89Å; F72-V135 HydrophobicContact CD1-CG1 4.11Å; F72-V135 HydrophobicContact CD2-CG1 3.94Å; F72-V135 HydrophobicContact CD2-CG2 4.44Å; F72-V135 HydrophobicContact CE1-CG1 4.08Å; F72-V135 HydrophobicContact CE2-CG1 3.92Å; F72-V135 HydrophobicContact CG-CG1 4.06Å; F72-V135 HydrophobicContact CZ-CG1 3.98Å; F72-L139 HydrophobicContact CD1-CD2 4.25Å; F72-L139 HydrophobicContact CE1-CD1 4.01Å; F72-L139 HydrophobicContact CE1-CD2 4.05Å; F72-L139 HydrophobicContact CE1-CG 4.39Å |
| 73 | L | 89.1 | Confident | 84.9 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -49 | 176.7 | -69 | 173.9 | 0 | 0 | 0 | 111.5 | T69 E70 K75 G76 D77 V94 V97 R98 | T69-L73 WeakPolarHBondContact O-CG 3.37Å; T69-L73 PolarHBondContact O-N 2.91Å; E70-L73 WeakPolarHBondContact O-CB 3.42Å; E70-L73 PolarHBondContact O-N 3.29Å; L73-K75 PolarHBondContact O-N 3.47Å; L73-G76 PolarHBondContact O-N 3.03Å; L73-D77 WeakPolarHBondContact O-CB 3.32Å; L73-D77 PolarHBondContact O-N 2.94Å; L73-V94 HydrophobicContact CD2-CG1 3.8Å; L73-V94 WeakPolarHBondContact CD2-O 3.47Å; L73-V97 HydrophobicContact CD2-CB 4.03Å; L73-V97 HydrophobicContact CD2-CG1 3.77Å; L73-V97 HydrophobicContact CG-CG1 4.25Å; L73-R98 HydrophobicContact CD1-CB 4.24Å; L73-R98 HydrophobicContact CD1-CG 4.2Å; L73-R98 HydrophobicContact CD2-CB 3.83Å |
| 74 | E | 88.6 | Confident | 84.9 | Confident | 122 Ų | 122 | 69.3 Ų | 69.3 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.4 | -47.7 | 178.9 | -71.5 | -176.4 | 172.3 | 0 | 0 | 111.9 | E70 K78 | E70-E74 PolarHBondContact O-N 3.42Å; E74-K78 PolarHBondContact O-N 3.24Å |
| 75 | K | 85.9 | Confident | 85 | Confident | 137 Ų | 137 | 69.5 Ų | 69.5 | 60% | 0.596 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.2 | -42.8 | 177.6 | -70.8 | -178.1 | 179.9 | -178.4 | 0 | 111.7 | N71 L73 K78 I79 | N71-K75 WeakPolarHBondContact O-CG 3.46Å; N71-K75 PolarHBondContact O-N 3.48Å; L73-K75 PolarHBondContact O-N 3.47Å; K75-K78 PolarHBondContact O-N 3.5Å; K75-I79 VanDerWaalsContact O-CG1 3.26Å; K75-I79 WeakPolarHBondContact O-CG1 3.42Å; K75-I79 PolarHBondContact O-N 3.29Å |
| 76 | G | 87 | Confident | 85 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | F72 L73 K78 I79 A80 | F72-G76 WeakPolarHBondContact O-CA 3.35Å; F72-G76 PolarHBondContact O-N 2.89Å; L73-G76 PolarHBondContact O-N 3.03Å; G76-K78 VanDerWaalsContact C-N 3.31Å; G76-K78 PolarHBondContact O-N 2.94Å; G76-I79 PolarHBondContact O-N 3.28Å; G76-A80 VanDerWaalsContact O-CB 3.3Å; G76-A80 WeakPolarHBondContact O-CB 3.46Å; G76-A80 PolarHBondContact O-N 3.39Å |
| 77 | D | 87.9 | Confident | 85.1 | Confident | 52 Ų | 52 | 71.6 Ų | 71.6 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 176.7 | -85.1 | -37 | 0 | 0 | 0 | 111.6 | L73 K81 V94 R98 | L73-D77 WeakPolarHBondContact O-CB 3.32Å; L73-D77 PolarHBondContact O-N 2.94Å; D77-K81 WeakPolarHBondContact O-CB 3.45Å; D77-K81 WeakPolarHBondContact O-CD 3.42Å; D77-K81 WeakPolarHBondContact O-CG 3.44Å; D77-K81 PolarHBondContact O-N 3.47Å; D77-V94 WeakPolarHBondContact OD1-CG1 3.47Å; D77-R98 IonicContact OD1-NH2 2.75Å; D77-R98 PolarHBondContact OD1-NH2 3.02Å; D77-R98 IonicContact OD2-NH2 2.73Å; D77-R98 PolarHBondContact OD2-NH2 3.2Å |
| 78 | K | 87.7 | Confident | 85.3 | Confident | 128 Ų | 128 | 73.1 Ų | 73.1 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64 | -50.1 | 175.4 | -173.4 | 177.1 | 178.7 | 179.4 | 0 | 111.5 | E74 K75 G76 A80 K81 E82 | E74-K78 PolarHBondContact O-N 3.24Å; K75-K78 PolarHBondContact O-N 3.5Å; G76-K78 VanDerWaalsContact C-N 3.31Å; G76-K78 PolarHBondContact O-N 2.94Å; K78-A80 VanDerWaalsContact C-N 3.28Å; K78-A80 PolarHBondContact O-N 3.31Å; K78-K81 PolarHBondContact O-N 3.23Å; K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 WeakPolarHBondContact CG-OE1 3.43Å; K78-E82 WeakPolarHBondContact O-CG 3.39Å; K78-E82 PolarHBondContact O-N 3.38Å; K78-E82 VanDerWaalsContact O-N 3.11Å |
| 79 | I | 84.1 | Confident | 85.5 | Confident | 50 Ų | 50 | 76.1 Ų | 76.1 | 26% | 0.256 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 179.8 | -60.2 | 165.3 | 0 | 0 | 0 | 110.1 | K75 G76 K81 E82 S83 L90 A142 | K75-I79 VanDerWaalsContact O-CG1 3.26Å; K75-I79 WeakPolarHBondContact O-CG1 3.42Å; K75-I79 PolarHBondContact O-N 3.29Å; G76-I79 PolarHBondContact O-N 3.28Å; I79-K81 PolarHBondContact O-N 2.9Å; I79-E82 PolarHBondContact O-N 3.06Å; I79-S83 VanDerWaalsContact O-CB 3.31Å; I79-S83 WeakPolarHBondContact O-CB 3.43Å; I79-S83 PolarHBondContact O-N 2.99Å; I79-L90 HydrophobicContact CB-CD2 3.92Å; I79-L90 HydrophobicContact CG2-CD2 3.44Å; I79-L90 VanDerWaalsContact CG2-CD2 3.44Å; I79-A142 HydrophobicContact CD1-CB 4.08Å; I79-A142 HydrophobicContact CG2-CB 4.39Å |
| 80 | A | 85.9 | Confident | 85.6 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.8 | -36.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | G76 K78 K87 L90 V91 | G76-A80 VanDerWaalsContact O-CB 3.3Å; G76-A80 WeakPolarHBondContact O-CB 3.46Å; G76-A80 PolarHBondContact O-N 3.39Å; K78-A80 VanDerWaalsContact C-N 3.28Å; K78-A80 PolarHBondContact O-N 3.31Å; A80-K87 WeakPolarHBondContact O-CG 3.37Å; A80-L90 HydrophobicContact CB-CB 4.12Å; A80-L90 HydrophobicContact CB-CD2 3.93Å; A80-L90 HydrophobicContact CB-CG 4.15Å; A80-V91 HydrophobicContact CB-CG2 3.91Å |
| 81 | K | 86.6 | Confident | 85.8 | Confident | 155 Ų | 155 | 73.8 Ų | 73.8 | 67% | 0.674 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.3 | -41.9 | 174.9 | -74.9 | 169 | -174.7 | 172.8 | 0 | 112.2 | D77 K78 I79 | D77-K81 WeakPolarHBondContact O-CB 3.45Å; D77-K81 WeakPolarHBondContact O-CD 3.42Å; D77-K81 WeakPolarHBondContact O-CG 3.44Å; D77-K81 PolarHBondContact O-N 3.47Å; K78-K81 PolarHBondContact O-N 3.23Å; I79-K81 PolarHBondContact O-N 2.9Å |
| 82 | E | 83.1 | Confident | 86.1 | Confident | 115 Ų | 115 | 72.2 Ų | 72.2 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -81.4 | -18.6 | -176.5 | -68 | 174.1 | -172.2 | 0 | 0 | 113.4 | K78 I79 | K78-E82 WeakPolarHBondContact CE-OE1 3.49Å; K78-E82 WeakPolarHBondContact CG-OE1 3.43Å; K78-E82 WeakPolarHBondContact O-CG 3.39Å; K78-E82 PolarHBondContact O-N 3.38Å; K78-E82 VanDerWaalsContact O-N 3.11Å; I79-E82 PolarHBondContact O-N 3.06Å |
| 83 | S | 80.3 | Confident | 86.3 | Confident | 5 Ų | 5 | 71 Ų | 71 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | trans | -74.7 | 133 | -176.4 | -161.7 | 0 | 0 | 0 | 0 | 112.8 | I79 F85 | I79-S83 VanDerWaalsContact O-CB 3.31Å; I79-S83 WeakPolarHBondContact O-CB 3.43Å; I79-S83 PolarHBondContact O-N 2.99Å; S83-F85 PolarHBondContact OG-N 3.45Å; S83-F85 PolarHBondContact OG-O 3.23Å | ||
| 84 | Q | 79.8 | Confident | 86.5 | Confident | 197 Ų | 197 | 70.6 Ų | 70.6 | 92% | 0.921 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -96.6 | -7.3 | 169.5 | -62.2 | -177.3 | 1.7 | 0 | 0 | 112.4 | ||
| 85 | F | 80.3 | Confident | 86.7 | Confident | 42 Ų | 42 | 70 Ų | 70 | 18% | 0.184 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -125 | 136.1 | -178.1 | 175.5 | -108.7 | 0 | 0 | 0 | 109.9 | F11 S83 K87 Y148 | F11-F85 HydrophobicContact CD1-CE1 4.37Å; F11-F85 AromaticContact CD1-CZ 3.82Å; F11-F85 HydrophobicContact CD1-CZ 3.82Å; F11-F85 HydrophobicContact CE1-CE1 4.01Å; F11-F85 AromaticContact CE1-CZ 3.84Å; F11-F85 HydrophobicContact CE1-CZ 3.84Å; F11-F85 HydrophobicContact CG-CZ 4.34Å; F11-F85 HydrophobicContact CZ-CE1 4.15Å; F11-F85 HydrophobicContact CZ-CZ 4.4Å; S83-F85 PolarHBondContact OG-N 3.45Å; S83-F85 PolarHBondContact OG-O 3.23Å; F85-K87 PolarHBondContact O-N 2.85Å; F85-K87 VanDerWaalsContact O-N 3.15Å; F85-Y148 HydrophobicContact CB-CD1 3.46Å; F85-Y148 VanDerWaalsContact CB-CD1 3.46Å; F85-Y148 HydrophobicContact CB-CD2 4.4Å; F85-Y148 HydrophobicContact CB-CE1 3.77Å; F85-Y148 HydrophobicContact CB-CG 3.81Å; F85-Y148 HydrophobicContact CD1-CD1 4.22Å; F85-Y148 AromaticContact CD1-CD2 3.97Å; F85-Y148 HydrophobicContact CD1-CD2 3.97Å; F85-Y148 AromaticContact CD1-CG 3.64Å; F85-Y148 HydrophobicContact CD1-CG 3.64Å; F85-Y148 HydrophobicContact CD2-CD1 4.24Å; F85-Y148 AromaticContact CD2-CD2 3.68Å; F85-Y148 HydrophobicContact CD2-CD2 3.68Å; F85-Y148 HydrophobicContact CD2-CE1 4.26Å; F85-Y148 AromaticContact CD2-CE2 3.7Å; F85-Y148 HydrophobicContact CD2-CE2 3.7Å; F85-Y148 AromaticContact CD2-CG 3.95Å; F85-Y148 HydrophobicContact CD2-CG 3.95Å; F85-Y148 AromaticContact CD2-CZ 3.98Å; F85-Y148 HydrophobicContact CE1-CD2 4.08Å; F85-Y148 HydrophobicContact CE1-CG 4.14Å; F85-Y148 AromaticContact CE2-CD2 3.83Å; F85-Y148 HydrophobicContact CE2-CD2 3.83Å; F85-Y148 AromaticContact CE2-CE2 3.95Å; F85-Y148 HydrophobicContact CE2-CE2 3.95Å; F85-Y148 HydrophobicContact CE2-CG 4.44Å; F85-Y148 AromaticContact CG-CD1 3.74Å; F85-Y148 HydrophobicContact CG-CD1 3.74Å; F85-Y148 AromaticContact CG-CD2 3.75Å; F85-Y148 HydrophobicContact CG-CD2 3.75Å; F85-Y148 HydrophobicContact CG-CE1 4.13Å; F85-Y148 HydrophobicContact CG-CE2 4.14Å; F85-Y148 AromaticContact CG-CG 3.52Å; F85-Y148 HydrophobicContact CG-CG 3.52Å; F85-Y148 HydrophobicContact CZ-CD2 4.03Å |
| 86 | L | 80.4 | Confident | 87.1 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | S | Bend | trans | 51.7 | 33.2 | -176.1 | -61.8 | 173.3 | 0 | 0 | 0 | 113.9 | P15 E88 E89 L90 L141 M144 | P15-L86 HydrophobicContact CB-CD1 4.36Å; P15-L86 HydrophobicContact CB-CD2 4.37Å; P15-L86 HydrophobicContact CG-CD1 4.3Å; P15-L86 HydrophobicContact CG-CD2 4.07Å; L86-E88 PolarHBondContact O-N 3.04Å; L86-E89 VanDerWaalsContact CA-OE2 3.24Å; L86-E89 WeakPolarHBondContact CA-OE2 3.42Å; L86-E89 HydrophobicContact CB-CB 4.35Å; L86-E89 HydrophobicContact CD2-CG 4.25Å; L86-E89 PolarHBondContact O-N 3.18Å; L86-L90 WeakPolarHBondContact O-CB 3.28Å; L86-L90 PolarHBondContact O-N 3.1Å; L86-L141 HydrophobicContact CD1-CD2 4.04Å; L86-M144 HydrophobicContact CD1-CB 4.17Å; L86-M144 HydrophobicContact CD1-CE 3.89Å; L86-M144 HydrophobicContact CD1-SD 4.26Å |
| 87 | K | 86.6 | Confident | 87.4 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 46% | 0.457 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | -175.2 | -179.1 | 171.7 | -174.4 | 168.8 | 0 | 111.5 | A80 F85 L90 V91 | A80-K87 WeakPolarHBondContact O-CG 3.37Å; F85-K87 PolarHBondContact O-N 2.85Å; F85-K87 VanDerWaalsContact O-N 3.15Å; K87-L90 PolarHBondContact O-N 2.97Å; K87-V91 VanDerWaalsContact O-CG2 3.28Å; K87-V91 WeakPolarHBondContact O-CG2 3.44Å; K87-V91 PolarHBondContact O-N 3.06Å |
| 88 | E | 87.3 | Confident | 87.7 | Confident | 163 Ų | 163 | 68.1 Ų | 68.1 | 76% | 0.762 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.4 | -42.5 | -179.2 | -64.4 | -176.5 | 177.8 | 0 | 0 | 111.1 | L86 L90 V91 A92 | L86-E88 PolarHBondContact O-N 3.04Å; E88-L90 PolarHBondContact O-N 3.3Å; E88-V91 PolarHBondContact O-N 3.42Å; E88-A92 WeakPolarHBondContact O-CB 3.19Å; E88-A92 PolarHBondContact O-N 2.98Å |
| 89 | E | 88.1 | Confident | 88.1 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 177.2 | -65.1 | 85.9 | 164.8 | 0 | 0 | 112.4 | L86 A92 A93 L141 | L86-E89 VanDerWaalsContact CA-OE2 3.24Å; L86-E89 WeakPolarHBondContact CA-OE2 3.42Å; L86-E89 HydrophobicContact CB-CB 4.35Å; L86-E89 HydrophobicContact CD2-CG 4.25Å; L86-E89 PolarHBondContact O-N 3.18Å; E89-A92 PolarHBondContact O-N 2.98Å; E89-A93 WeakPolarHBondContact O-CB 3.44Å; E89-A93 PolarHBondContact O-N 2.92Å; E89-L141 HydrophobicContact CB-CD1 4.3Å |
| 90 | L | 88.4 | Confident | 88.6 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71 | -40.6 | 177.4 | -152 | 73.7 | 0 | 0 | 0 | 111.4 | I79 A80 L86 K87 E88 A93 V94 L138 L141 | I79-L90 HydrophobicContact CB-CD2 3.92Å; I79-L90 HydrophobicContact CG2-CD2 3.44Å; I79-L90 VanDerWaalsContact CG2-CD2 3.44Å; A80-L90 HydrophobicContact CB-CB 4.12Å; A80-L90 HydrophobicContact CB-CD2 3.93Å; A80-L90 HydrophobicContact CB-CG 4.15Å; L86-L90 WeakPolarHBondContact O-CB 3.28Å; L86-L90 PolarHBondContact O-N 3.1Å; K87-L90 PolarHBondContact O-N 2.97Å; E88-L90 PolarHBondContact O-N 3.3Å; L90-A93 PolarHBondContact O-N 3.12Å; L90-V94 WeakPolarHBondContact O-CG2 3.35Å; L90-V94 PolarHBondContact O-N 2.78Å; L90-L138 HydrophobicContact CD1-CD1 4.02Å; L90-L138 HydrophobicContact CG-CD1 4.26Å; L90-L141 HydrophobicContact CD1-CB 3.32Å; L90-L141 HydrophobicContact CD1-CD1 4.47Å |
| 91 | V | 91.9 | Very high | 88.9 | Confident | 56 Ų | 56 | 67.9 Ų | 67.9 | 34% | 0.339 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 172.3 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | A80 K87 E88 A93 V94 E95 | A80-V91 HydrophobicContact CB-CG2 3.91Å; K87-V91 VanDerWaalsContact O-CG2 3.28Å; K87-V91 WeakPolarHBondContact O-CG2 3.44Å; K87-V91 PolarHBondContact O-N 3.06Å; E88-V91 PolarHBondContact O-N 3.42Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-A93 PolarHBondContact O-N 3.07Å; V91-V94 PolarHBondContact O-N 3.11Å; V91-E95 PolarHBondContact O-N 3.17Å |
| 92 | A | 91.8 | Very high | 89.1 | Confident | 44 Ų | 44 | 65 Ų | 65 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | E88 E89 E95 D96 | E88-A92 WeakPolarHBondContact O-CB 3.19Å; E88-A92 PolarHBondContact O-N 2.98Å; E89-A92 PolarHBondContact O-N 2.98Å; A92-E95 PolarHBondContact O-N 3.41Å; A92-D96 PolarHBondContact O-N 3.41Å |
| 93 | A | 91.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 2% | 0.017 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E89 L90 V91 D96 V97 L138 L141 | E89-A93 WeakPolarHBondContact O-CB 3.44Å; E89-A93 PolarHBondContact O-N 2.92Å; L90-A93 PolarHBondContact O-N 3.12Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-A93 PolarHBondContact O-N 3.07Å; A93-D96 PolarHBondContact O-N 2.84Å; A93-V97 WeakPolarHBondContact O-CG2 3.48Å; A93-V97 PolarHBondContact O-N 3.11Å; A93-L138 HydrophobicContact CB-CB 4.34Å; A93-L138 HydrophobicContact CB-CD1 4.15Å; A93-L141 HydrophobicContact CB-CD1 3.76Å |
| 94 | V | 93.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66 | -41.4 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 111 | L73 D77 L90 V91 D96 V97 R98 L138 | L73-V94 HydrophobicContact CD2-CG1 3.8Å; L73-V94 WeakPolarHBondContact CD2-O 3.47Å; D77-V94 WeakPolarHBondContact OD1-CG1 3.47Å; L90-V94 WeakPolarHBondContact O-CG2 3.35Å; L90-V94 PolarHBondContact O-N 2.78Å; V91-V94 PolarHBondContact O-N 3.11Å; V94-D96 VanDerWaalsContact C-N 3.35Å; V94-D96 PolarHBondContact O-N 3.32Å; V94-V97 PolarHBondContact O-N 3.3Å; V94-R98 WeakPolarHBondContact O-CB 3.25Å; V94-R98 PolarHBondContact O-N 3.19Å; V94-L138 HydrophobicContact CG2-CD1 3.58Å; V94-L138 HydrophobicContact CG2-CD2 4.33Å |
| 95 | E | 93.6 | Very high | 90.5 | Very high | 111 Ų | 111 | 59.4 Ų | 59.4 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -41 | 174.3 | -72 | 179.9 | 179.8 | 0 | 0 | 112.5 | V91 A92 R98 K99 | V91-E95 PolarHBondContact O-N 3.17Å; A92-E95 PolarHBondContact O-N 3.41Å; E95-R98 WeakPolarHBondContact O-CB 3.39Å; E95-R98 PolarHBondContact O-N 3.03Å; E95-K99 WeakPolarHBondContact O-CB 3.45Å; E95-K99 PolarHBondContact O-N 3.25Å |
| 96 | D | 93.3 | Very high | 91 | Very high | 63 Ų | 63 | 61.5 Ų | 61.5 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 174 | -83.8 | -18 | 0 | 0 | 0 | 111.4 | A92 A93 V94 R98 K99 Q100 R137 | A92-D96 PolarHBondContact O-N 3.41Å; A93-D96 PolarHBondContact O-N 2.84Å; V94-D96 VanDerWaalsContact C-N 3.35Å; V94-D96 PolarHBondContact O-N 3.32Å; D96-R98 VanDerWaalsContact C-N 3.31Å; D96-R98 PolarHBondContact O-N 2.92Å; D96-K99 PolarHBondContact O-N 3.13Å; D96-Q100 VanDerWaalsContact O-CG 3.32Å; D96-Q100 WeakPolarHBondContact O-CG 3.5Å; D96-Q100 PolarHBondContact O-N 3.02Å; D96-R137 IonicContact OD2-NH1 2.99Å |
| 97 | V | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 175.6 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | T69 L73 A93 V94 Q100 G101 L131 A134 V135 L138 | T69-V97 HydrophobicContact CG2-CG1 4.1Å; L73-V97 HydrophobicContact CD2-CB 4.03Å; L73-V97 HydrophobicContact CD2-CG1 3.77Å; L73-V97 HydrophobicContact CG-CG1 4.25Å; A93-V97 WeakPolarHBondContact O-CG2 3.48Å; A93-V97 PolarHBondContact O-N 3.11Å; V94-V97 PolarHBondContact O-N 3.3Å; V97-Q100 PolarHBondContact O-N 3.44Å; V97-G101 WeakPolarHBondContact O-CA 3.25Å; V97-G101 PolarHBondContact O-N 3.44Å; V97-L131 HydrophobicContact CG1-CD1 4.43Å; V97-A134 HydrophobicContact CG2-CB 3.85Å; V97-A134 WeakPolarHBondContact CG2-O 3.34Å; V97-V135 HydrophobicContact CG1-CG2 3.92Å; V97-V135 HydrophobicContact CG2-CG2 4.06Å; V97-L138 HydrophobicContact CG2-CB 4.04Å; V97-L138 HydrophobicContact CG2-CD2 3.98Å |
| 98 | R | 94.6 | Very high | 91.4 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61 | -50.6 | 178.2 | -169.3 | 177.1 | -65.9 | 114.2 | -0.6 | 110.6 | L73 D77 V94 E95 D96 Q100 G101 D102 | L73-R98 HydrophobicContact CD1-CB 4.24Å; L73-R98 HydrophobicContact CD1-CG 4.2Å; L73-R98 HydrophobicContact CD2-CB 3.83Å; D77-R98 IonicContact OD1-NH2 2.75Å; D77-R98 PolarHBondContact OD1-NH2 3.02Å; D77-R98 IonicContact OD2-NH2 2.73Å; D77-R98 PolarHBondContact OD2-NH2 3.2Å; V94-R98 WeakPolarHBondContact O-CB 3.25Å; V94-R98 PolarHBondContact O-N 3.19Å; E95-R98 WeakPolarHBondContact O-CB 3.39Å; E95-R98 PolarHBondContact O-N 3.03Å; D96-R98 VanDerWaalsContact C-N 3.31Å; D96-R98 PolarHBondContact O-N 2.92Å; R98-Q100 PolarHBondContact O-N 3.21Å; R98-G101 PolarHBondContact O-N 2.98Å; R98-D102 PolarHBondContact O-N 3.4Å |
| 99 | K | 95.1 | Very high | 91.3 | Very high | 128 Ų | 128 | 49.5 Ų | 49.5 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.9 | -46.9 | 177.6 | -179.5 | -179.1 | 177.6 | -179.2 | 0 | 112.6 | E95 D96 G101 L103 | E95-K99 WeakPolarHBondContact O-CB 3.45Å; E95-K99 PolarHBondContact O-N 3.25Å; D96-K99 PolarHBondContact O-N 3.13Å; K99-G101 VanDerWaalsContact C-N 3.31Å; K99-L103 WeakPolarHBondContact O-CG 3.41Å; K99-L103 PolarHBondContact O-N 3.3Å |
| 100 | Q | 94.3 | Very high | 91.2 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70 | -31.2 | 178.3 | -61.4 | -44.2 | -50.9 | 0 | 0 | 112 | D96 V97 R98 L103 M104 A130 L131 A134 | D96-Q100 VanDerWaalsContact O-CG 3.32Å; D96-Q100 WeakPolarHBondContact O-CG 3.5Å; D96-Q100 PolarHBondContact O-N 3.02Å; V97-Q100 PolarHBondContact O-N 3.44Å; R98-Q100 PolarHBondContact O-N 3.21Å; Q100-L103 PolarHBondContact O-N 3.12Å; Q100-M104 VanDerWaalsContact O-CB 3.3Å; Q100-M104 WeakPolarHBondContact O-CB 3.44Å; Q100-M104 PolarHBondContact O-N 3.33Å; Q100-A130 HydrophobicContact CG-CB 4.36Å; Q100-L131 HydrophobicContact CB-CB 4.23Å; Q100-L131 HydrophobicContact CB-CD1 4.17Å; Q100-A134 HydrophobicContact CB-CB 4.4Å; Q100-A134 HydrophobicContact CG-CB 4.01Å |
| 101 | G | 92.1 | Very high | 91 | Very high | 10 Ų | 10 | 50 Ų | 50 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V97 R98 K99 L103 M104 K105 | V97-G101 WeakPolarHBondContact O-CA 3.25Å; V97-G101 PolarHBondContact O-N 3.44Å; R98-G101 PolarHBondContact O-N 2.98Å; K99-G101 VanDerWaalsContact C-N 3.31Å; G101-L103 PolarHBondContact O-N 3.26Å; G101-M104 PolarHBondContact O-N 3.09Å; G101-K105 WeakPolarHBondContact O-CB 3.33Å; G101-K105 PolarHBondContact O-N 3.47Å |
| 102 | D | 91.8 | Very high | 90.4 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 51% | 0.508 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.3 | -42 | 177.7 | -70.7 | -32.4 | 0 | 0 | 0 | 112.5 | R98 M104 K105 T106 | R98-D102 PolarHBondContact O-N 3.4Å; D102-M104 VanDerWaalsContact C-N 3.34Å; D102-K105 PolarHBondContact O-N 3.5Å; D102-T106 PolarHBondContact O-N 2.92Å; D102-T106 PolarHBondContact O-OG1 3.03Å |
| 103 | L | 92.6 | Very high | 90 | Very high | 91 Ų | 91 | 50 Ų | 50 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 174.7 | -70.9 | 173 | 0 | 0 | 0 | 111.4 | K99 Q100 G101 A107 | K99-L103 WeakPolarHBondContact O-CG 3.41Å; K99-L103 PolarHBondContact O-N 3.3Å; Q100-L103 PolarHBondContact O-N 3.12Å; G101-L103 PolarHBondContact O-N 3.26Å; L103-A107 WeakPolarHBondContact O-CB 3.45Å; L103-A107 PolarHBondContact O-N 3.48Å |
| 104 | M | 91 | Very high | 89.4 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 176.8 | -178.4 | 56.4 | -172.7 | 0 | 0 | 111.6 | L39 V65 Q100 G101 D102 T106 A107 A108 M124 A127 A128 L131 | L39-M104 HydrophobicContact CD2-CE 3.47Å; L39-M104 VanDerWaalsContact CD2-CE 3.47Å; V65-M104 HydrophobicContact CG1-CE 4.34Å; V65-M104 HydrophobicContact CG1-CG 4.08Å; Q100-M104 VanDerWaalsContact O-CB 3.3Å; Q100-M104 WeakPolarHBondContact O-CB 3.44Å; Q100-M104 PolarHBondContact O-N 3.33Å; G101-M104 PolarHBondContact O-N 3.09Å; D102-M104 VanDerWaalsContact C-N 3.34Å; M104-T106 VanDerWaalsContact C-N 3.34Å; M104-T106 PolarHBondContact O-N 2.86Å; M104-A107 PolarHBondContact O-N 2.89Å; M104-A108 HydrophobicContact CE-CB 4.11Å; M104-A108 WeakPolarHBondContact O-CB 3.16Å; M104-A108 PolarHBondContact O-N 2.98Å; M104-M124 HydrophobicContact CE-CG 4.08Å; M104-M124 HydrophobicContact CE-SD 4.42Å; M104-M124 HydrophobicContact SD-CG 4.45Å; M104-A127 HydrophobicContact CB-CB 4.31Å; M104-A127 HydrophobicContact SD-CB 3.94Å; M104-A128 HydrophobicContact CE-CB 3.73Å; M104-A128 HydrophobicContact SD-CB 3.69Å; M104-A128 PolarHBondContact SD-N 3.28Å; M104-L131 HydrophobicContact CB-CD2 3.95Å; M104-L131 HydrophobicContact CG-CD2 3.82Å |
| 105 | K | 88.9 | Confident | 88.3 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 46% | 0.457 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.6 | -48 | 176 | 179.1 | 177.8 | 177.5 | 169.7 | 0 | 111.3 | E66 G101 D102 G109 | E66-K105 VanDerWaalsContact CD-CE 3.41Å; E66-K105 HydrophobicContact CG-CD 4.19Å; E66-K105 WeakPolarHBondContact OE1-CD 3.23Å; E66-K105 WeakPolarHBondContact OE1-CE 3.39Å; E66-K105 IonicContact OE1-NZ 2.63Å; E66-K105 PolarHBondContact OE1-NZ 3.34Å; E66-K105 WeakPolarHBondContact OE2-CE 3.31Å; E66-K105 IonicContact OE2-NZ 3.04Å; G101-K105 WeakPolarHBondContact O-CB 3.33Å; G101-K105 PolarHBondContact O-N 3.47Å; D102-K105 PolarHBondContact O-N 3.5Å; K105-G109 PolarHBondContact O-N 3.21Å |
| 106 | T | 90.9 | Very high | 87.2 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63 | -52.6 | 178.5 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | D102 M104 A108 G109 E110 | D102-T106 PolarHBondContact O-N 2.92Å; D102-T106 PolarHBondContact O-OG1 3.03Å; M104-T106 VanDerWaalsContact C-N 3.34Å; M104-T106 PolarHBondContact O-N 2.86Å; T106-A108 VanDerWaalsContact C-N 3.34Å; T106-A108 PolarHBondContact O-N 2.82Å; T106-G109 PolarHBondContact O-N 3.17Å; T106-E110 WeakPolarHBondContact O-CG 3.33Å; T106-E110 PolarHBondContact O-N 3.41Å |
| 107 | A | 88.8 | Confident | 86.5 | Confident | 12 Ų | 12 | 51 Ų | 51 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -35.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L103 M104 F111 M124 A127 | L103-A107 WeakPolarHBondContact O-CB 3.45Å; L103-A107 PolarHBondContact O-N 3.48Å; M104-A107 PolarHBondContact O-N 2.89Å; A107-F111 WeakPolarHBondContact O-CB 3.33Å; A107-F111 PolarHBondContact O-N 2.85Å; A107-F111 VanDerWaalsContact O-N 3.09Å; A107-M124 HydrophobicContact CB-CB 4.22Å; A107-A127 HydrophobicContact CB-CB 4.1Å |
| 108 | A | 85.7 | Confident | 85.6 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 2% | 0.017 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.5 | -37.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L39 A62 M104 T106 F111 A112 M124 | L39-A108 HydrophobicContact CD2-CB 4.31Å; A62-A108 HydrophobicContact CB-CB 3.8Å; M104-A108 HydrophobicContact CE-CB 4.11Å; M104-A108 WeakPolarHBondContact O-CB 3.16Å; M104-A108 PolarHBondContact O-N 2.98Å; T106-A108 VanDerWaalsContact C-N 3.34Å; T106-A108 PolarHBondContact O-N 2.82Å; A108-F111 PolarHBondContact O-N 2.71Å; A108-A112 VanDerWaalsContact O-CB 3.27Å; A108-A112 WeakPolarHBondContact O-CB 3.25Å; A108-A112 PolarHBondContact O-N 3.2Å; A108-M124 HydrophobicContact CB-CG 4.46Å |
| 109 | G | 85.2 | Confident | 84.9 | Confident | 24 Ų | 24 | 56 Ų | 56 | 25% | 0.247 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.6 | -52.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K105 T106 F111 A112 D113 | K105-G109 PolarHBondContact O-N 3.21Å; T106-G109 PolarHBondContact O-N 3.17Å; G109-F111 VanDerWaalsContact C-N 3.28Å; G109-F111 PolarHBondContact O-N 2.83Å; G109-A112 PolarHBondContact O-N 3.43Å; G109-D113 PolarHBondContact O-N 3.48Å |
| 110 | E | 87 | Confident | 84.3 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 41% | 0.411 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 177.3 | -71.7 | -179.2 | -169.8 | 0 | 0 | 112.7 | T106 D114 K120 | T106-E110 WeakPolarHBondContact O-CG 3.33Å; T106-E110 PolarHBondContact O-N 3.41Å; E110-D114 PolarHBondContact O-N 3.47Å; E110-D114 VanDerWaalsContact O-N 3.16Å; E110-K120 HydrophobicContact CB-CD 4.32Å |
| 111 | F | 83.1 | Confident | 83.5 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69 | -39.1 | 174.7 | 171.7 | -104.1 | 0 | 0 | 0 | 112.3 | L39 T42 A107 A108 G109 D113 D114 P115 R121 M124 | L39-F111 HydrophobicContact CD1-CD1 4.42Å; L39-F111 HydrophobicContact CD1-CE1 4.29Å; T42-F111 WeakPolarHBondContact OG1-CZ 3.49Å; A107-F111 WeakPolarHBondContact O-CB 3.33Å; A107-F111 PolarHBondContact O-N 2.85Å; A107-F111 VanDerWaalsContact O-N 3.09Å; A108-F111 PolarHBondContact O-N 2.71Å; G109-F111 VanDerWaalsContact C-N 3.28Å; G109-F111 PolarHBondContact O-N 2.83Å; F111-D113 VanDerWaalsContact C-N 3.29Å; F111-D113 PolarHBondContact O-N 3.19Å; F111-D114 CarbonylContact O-C 3.23Å; F111-D114 PolarHBondContact O-N 2.94Å; F111-P115 HydrophobicContact CE2-CB 4.2Å; F111-P115 WeakPolarHBondContact CE2-O 3.49Å; F111-P115 HydrophobicContact CZ-CB 4.19Å; F111-P115 WeakPolarHBondContact O-CA 3.21Å; F111-R121 HydrophobicContact CD2-CB 3.95Å; F111-R121 HydrophobicContact CD2-CG 4.46Å; F111-R121 HydrophobicContact CE2-CB 3.84Å; F111-R121 HydrophobicContact CE2-CG 4.01Å; F111-M124 HydrophobicContact CB-CB 4.24Å; F111-M124 HydrophobicContact CB-CG 4.46Å; F111-M124 HydrophobicContact CD1-CE 3.85Å; F111-M124 HydrophobicContact CD2-CE 4.22Å; F111-M124 HydrophobicContact CE1-CE 3.94Å; F111-M124 HydrophobicContact CE2-CE 4.31Å; F111-M124 HydrophobicContact CG-CE 3.99Å; F111-M124 HydrophobicContact CZ-CE 4.17Å |
| 112 | A | 80.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | A58 H59 A108 G109 | A58-A112 HydrophobicContact CB-CB 3.77Å; H59-A112 VanDerWaalsContact CE1-CB 3.47Å; H59-A112 WeakPolarHBondContact CE1-CB 3.43Å; H59-A112 WeakPolarHBondContact ND1-CB 3.21Å; A108-A112 VanDerWaalsContact O-CB 3.27Å; A108-A112 WeakPolarHBondContact O-CB 3.25Å; A108-A112 PolarHBondContact O-N 3.2Å; G109-A112 PolarHBondContact O-N 3.43Å |
| 113 | D | 81.9 | Confident | 82.6 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.8 | -31.8 | 174.2 | -71.6 | -33.6 | 0 | 0 | 0 | 113 | H59 G109 F111 | H59-D113 IonicContact CE1-OD1 3Å; H59-D113 PolarHBondContact CE1-OD1 3.02Å; H59-D113 VanDerWaalsContact CE1-OD1 3.26Å; H59-D113 IonicContact NE2-OD1 3.89Å; G109-D113 PolarHBondContact O-N 3.48Å; F111-D113 VanDerWaalsContact C-N 3.29Å; F111-D113 PolarHBondContact O-N 3.19Å |
| 114 | D | 78.9 | Confident | 82.4 | Confident | 61 Ų | 61 | 49 Ų | 49 | 33% | 0.326 | 28% | 0.284 | S | S | . | . | trans | -138.6 | 71.6 | -177.1 | -175.1 | 11.8 | 0 | 0 | 0 | 112.6 | E110 F111 C116 S117 K120 | E110-D114 PolarHBondContact O-N 3.47Å; E110-D114 VanDerWaalsContact O-N 3.16Å; F111-D114 CarbonylContact O-C 3.23Å; F111-D114 PolarHBondContact O-N 2.94Å; D114-C116 PolarHBondContact O-N 3.41Å; D114-C116 VanDerWaalsContact O-N 3.13Å; D114-S117 PolarHBondContact O-N 3.27Å; D114-S117 WeakPolarHBondContact OD2-CB 3.46Å; D114-K120 HydrophobicContact CB-CD 3.87Å; D114-K120 VanDerWaalsContact CB-NZ 3.25Å; D114-K120 IonicContact OD2-NZ 2.91Å; D114-K120 PolarHBondContact OD2-NZ 3.21Å | ||
| 115 | P | 70.5 | Confident | 81.9 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -7.6 | -170.8 | 29.1 | -36.6 | 0 | 0 | 0 | 113.6 | F111 | F111-P115 HydrophobicContact CE2-CB 4.2Å; F111-P115 WeakPolarHBondContact CE2-O 3.49Å; F111-P115 HydrophobicContact CZ-CB 4.19Å; F111-P115 WeakPolarHBondContact O-CA 3.21Å |
| 116 | C | 71.4 | Confident | 81.8 | Confident | 84 Ų | 84 | 53.3 Ų | 53.3 | 57% | 0.568 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -10.5 | 178.3 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | D114 S118 | D114-C116 PolarHBondContact O-N 3.41Å; D114-C116 VanDerWaalsContact O-N 3.13Å; C116-S118 PolarHBondContact O-N 2.93Å |
| 117 | S | 78.1 | Confident | 81.7 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | trans | -76 | 116.9 | 178.2 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | D114 V119 K120 R121 | D114-S117 PolarHBondContact O-N 3.27Å; D114-S117 WeakPolarHBondContact OD2-CB 3.46Å; S117-V119 VanDerWaalsContact C-N 3.3Å; S117-V119 PolarHBondContact O-N 2.99Å; S117-K120 WeakPolarHBondContact OG-CG 3.33Å; S117-K120 PolarHBondContact OG-N 3.27Å; S117-R121 WeakPolarHBondContact O-CB 3.47Å; S117-R121 PolarHBondContact O-N 3.2Å | ||
| 118 | S | 74.2 | Confident | 81.5 | Confident | 98 Ų | 98 | 49.2 Ų | 49.2 | 69% | 0.685 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.8 | -36 | 176.2 | 56 | 0 | 0 | 0 | 0 | 112.4 | C116 G122 | C116-S118 PolarHBondContact O-N 2.93Å; S118-G122 PolarHBondContact O-N 3.27Å |
| 119 | V | 79.9 | Confident | 81.4 | Confident | 96 Ų | 96 | 58.1 Ų | 58.1 | 58% | 0.582 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.2 | -48.8 | 179.5 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | S117 R121 G122 N123 | S117-V119 VanDerWaalsContact C-N 3.3Å; S117-V119 PolarHBondContact O-N 2.99Å; V119-R121 VanDerWaalsContact C-N 3.31Å; V119-R121 PolarHBondContact O-N 2.95Å; V119-G122 PolarHBondContact O-N 3.33Å; V119-G122 VanDerWaalsContact O-N 3.12Å; V119-N123 PolarHBondContact O-N 3.17Å |
| 120 | K | 82.5 | Confident | 81.6 | Confident | 59 Ų | 59 | 58.7 Ų | 58.7 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 178.1 | -68.3 | 176.3 | 174.4 | 172.6 | 0 | 111.7 | E110 D114 S117 N123 M124 | E110-K120 HydrophobicContact CB-CD 4.32Å; D114-K120 HydrophobicContact CB-CD 3.87Å; D114-K120 VanDerWaalsContact CB-NZ 3.25Å; D114-K120 IonicContact OD2-NZ 2.91Å; D114-K120 PolarHBondContact OD2-NZ 3.21Å; S117-K120 WeakPolarHBondContact OG-CG 3.33Å; S117-K120 PolarHBondContact OG-N 3.27Å; K120-N123 PolarHBondContact O-N 3.32Å; K120-M124 WeakPolarHBondContact O-CB 3.39Å; K120-M124 PolarHBondContact O-N 3.17Å |
| 121 | R | 79 | Confident | 81.8 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 170.5 | -173.8 | -179.4 | 176.9 | -137.4 | -3 | 111.4 | V40 N43 F111 S117 V119 N123 M124 V125 | V40-R121 PolarHBondContact O-NE 3.02Å; V40-R121 PolarHBondContact O-NH2 3.11Å; N43-R121 PolarHBondContact O-NH1 3.32Å; N43-R121 PolarHBondContact O-NH2 2.91Å; F111-R121 HydrophobicContact CD2-CB 3.95Å; F111-R121 HydrophobicContact CD2-CG 4.46Å; F111-R121 HydrophobicContact CE2-CB 3.84Å; F111-R121 HydrophobicContact CE2-CG 4.01Å; S117-R121 WeakPolarHBondContact O-CB 3.47Å; S117-R121 PolarHBondContact O-N 3.2Å; V119-R121 VanDerWaalsContact C-N 3.31Å; V119-R121 PolarHBondContact O-N 2.95Å; R121-N123 VanDerWaalsContact C-N 3.31Å; R121-N123 PolarHBondContact O-N 2.99Å; R121-M124 HydrophobicContact CG-CE 3.98Å; R121-M124 PolarHBondContact O-N 3.47Å; R121-V125 HydrophobicContact CG-CG2 4.49Å; R121-V125 VanDerWaalsContact O-CG2 3.25Å; R121-V125 WeakPolarHBondContact O-CG2 3.28Å; R121-V125 PolarHBondContact O-N 3.13Å |
| 122 | G | 78.8 | Confident | 82 | Confident | 30 Ų | 30 | 56.5 Ų | 56.5 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S118 V119 R126 | S118-G122 PolarHBondContact O-N 3.27Å; V119-G122 PolarHBondContact O-N 3.33Å; V119-G122 VanDerWaalsContact O-N 3.12Å; G122-R126 WeakPolarHBondContact O-CG 3.05Å; G122-R126 PolarHBondContact O-N 3.39Å; G122-R126 VanDerWaalsContact O-N 3.13Å |
| 123 | N | 86.1 | Confident | 82.4 | Confident | 55 Ų | 55 | 59.4 Ų | 59.4 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 174.7 | -69.1 | -11.4 | 0 | 0 | 0 | 111.9 | V119 K120 R121 V125 R126 A127 | V119-N123 PolarHBondContact O-N 3.17Å; K120-N123 PolarHBondContact O-N 3.32Å; R121-N123 VanDerWaalsContact C-N 3.31Å; R121-N123 PolarHBondContact O-N 2.99Å; N123-V125 PolarHBondContact O-N 3.44Å; N123-R126 PolarHBondContact O-N 3.14Å; N123-R126 PolarHBondContact OD1-NH2 3.2Å; N123-A127 PolarHBondContact O-N 3.33Å |
| 124 | M | 86.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.3 | 172.7 | -86.3 | -55.8 | 0 | 0 | 112.2 | L39 V40 M104 A107 A108 F111 K120 R121 R126 A127 A128 | L39-M124 HydrophobicContact CD2-CG 4.31Å; L39-M124 HydrophobicContact CD2-SD 3.98Å; L39-M124 HydrophobicContact CG-SD 3.88Å; V40-M124 HydrophobicContact CG2-SD 4.14Å; M104-M124 HydrophobicContact CE-CG 4.08Å; M104-M124 HydrophobicContact CE-SD 4.42Å; M104-M124 HydrophobicContact SD-CG 4.45Å; A107-M124 HydrophobicContact CB-CB 4.22Å; A108-M124 HydrophobicContact CB-CG 4.46Å; F111-M124 HydrophobicContact CB-CB 4.24Å; F111-M124 HydrophobicContact CB-CG 4.46Å; F111-M124 HydrophobicContact CD1-CE 3.85Å; F111-M124 HydrophobicContact CD2-CE 4.22Å; F111-M124 HydrophobicContact CE1-CE 3.94Å; F111-M124 HydrophobicContact CE2-CE 4.31Å; F111-M124 HydrophobicContact CG-CE 3.99Å; F111-M124 HydrophobicContact CZ-CE 4.17Å; K120-M124 WeakPolarHBondContact O-CB 3.39Å; K120-M124 PolarHBondContact O-N 3.17Å; R121-M124 HydrophobicContact CG-CE 3.98Å; R121-M124 PolarHBondContact O-N 3.47Å; M124-R126 VanDerWaalsContact C-N 3.34Å; M124-R126 PolarHBondContact O-N 2.87Å; M124-A127 PolarHBondContact O-N 3.45Å; M124-A128 VanDerWaalsContact O-CB 3.32Å; M124-A128 WeakPolarHBondContact O-CB 3.39Å; M124-A128 PolarHBondContact O-N 3Å |
| 125 | V | 81.8 | Confident | 83.3 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | V40 R121 N123 A128 R129 | V40-V125 HydrophobicContact CB-CG2 4.32Å; V40-V125 HydrophobicContact CG1-CG1 4.37Å; V40-V125 HydrophobicContact CG1-CG2 3.79Å; V40-V125 HydrophobicContact CG2-CG2 3.98Å; R121-V125 HydrophobicContact CG-CG2 4.49Å; R121-V125 VanDerWaalsContact O-CG2 3.25Å; R121-V125 WeakPolarHBondContact O-CG2 3.28Å; R121-V125 PolarHBondContact O-N 3.13Å; N123-V125 PolarHBondContact O-N 3.44Å; V125-A128 PolarHBondContact O-N 2.99Å; V125-R129 WeakPolarHBondContact O-CG 3.44Å; V125-R129 PolarHBondContact O-N 3.08Å |
| 126 | R | 86.2 | Confident | 84.1 | Confident | 171 Ų | 171 | 52 Ų | 52 | 65% | 0.645 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.4 | -45.7 | 177.7 | -76 | -173.2 | -73.2 | -169.9 | 0.1 | 111.6 | G122 N123 M124 A128 R129 A130 | G122-R126 WeakPolarHBondContact O-CG 3.05Å; G122-R126 PolarHBondContact O-N 3.39Å; G122-R126 VanDerWaalsContact O-N 3.13Å; N123-R126 PolarHBondContact O-N 3.14Å; N123-R126 PolarHBondContact OD1-NH2 3.2Å; M124-R126 VanDerWaalsContact C-N 3.34Å; M124-R126 PolarHBondContact O-N 2.87Å; R126-A128 VanDerWaalsContact C-N 3.31Å; R126-A128 PolarHBondContact O-N 3.38Å; R126-R129 PolarHBondContact O-N 2.87Å; R126-A130 PolarHBondContact O-N 3.46Å |
| 127 | A | 88.2 | Confident | 84.9 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | M104 A107 N123 M124 A130 L131 | M104-A127 HydrophobicContact CB-CB 4.31Å; M104-A127 HydrophobicContact SD-CB 3.94Å; A107-A127 HydrophobicContact CB-CB 4.1Å; N123-A127 PolarHBondContact O-N 3.33Å; M124-A127 PolarHBondContact O-N 3.45Å; A127-A130 PolarHBondContact O-N 2.72Å; A127-L131 WeakPolarHBondContact O-CB 3.39Å; A127-L131 PolarHBondContact O-N 3.41Å |
| 128 | A | 85.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V36 M104 M124 V125 R126 L131 L132 | V36-A128 HydrophobicContact CG1-CB 3.54Å; V36-A128 HydrophobicContact CG2-CB 4.26Å; M104-A128 HydrophobicContact CE-CB 3.73Å; M104-A128 HydrophobicContact SD-CB 3.69Å; M104-A128 PolarHBondContact SD-N 3.28Å; M124-A128 VanDerWaalsContact O-CB 3.32Å; M124-A128 WeakPolarHBondContact O-CB 3.39Å; M124-A128 PolarHBondContact O-N 3Å; V125-A128 PolarHBondContact O-N 2.99Å; R126-A128 VanDerWaalsContact C-N 3.31Å; R126-A128 PolarHBondContact O-N 3.38Å; A128-L131 PolarHBondContact O-N 2.95Å; A128-L132 WeakPolarHBondContact O-CB 3.4Å; A128-L132 PolarHBondContact O-N 2.9Å |
| 129 | R | 84.9 | Confident | 86.1 | Confident | 189 Ų | 189 | 48 Ų | 48 | 71% | 0.713 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.1 | -40.9 | 173.7 | -74.1 | -179.6 | -179.2 | -160.5 | -0.8 | 111.9 | V125 R126 L132 S133 | V125-R129 WeakPolarHBondContact O-CG 3.44Å; V125-R129 PolarHBondContact O-N 3.08Å; R126-R129 PolarHBondContact O-N 2.87Å; R129-L132 PolarHBondContact O-N 3.37Å; R129-S133 PolarHBondContact O-N 3.36Å |
| 130 | A | 89.2 | Confident | 86.4 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 30% | 0.298 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.7 | -43 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q100 R126 A127 S133 A134 | Q100-A130 HydrophobicContact CG-CB 4.36Å; R126-A130 PolarHBondContact O-N 3.46Å; A127-A130 PolarHBondContact O-N 2.72Å; A130-S133 PolarHBondContact O-N 3.29Å; A130-A134 PolarHBondContact O-N 3.31Å |
| 131 | L | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 173.7 | 178.3 | 62 | 0 | 0 | 0 | 111.6 | V65 T69 V97 Q100 M104 A127 A128 S133 A134 V135 | V65-L131 HydrophobicContact CG1-CD2 4.01Å; T69-L131 HydrophobicContact CG2-CD1 4.03Å; V97-L131 HydrophobicContact CG1-CD1 4.43Å; Q100-L131 HydrophobicContact CB-CB 4.23Å; Q100-L131 HydrophobicContact CB-CD1 4.17Å; M104-L131 HydrophobicContact CB-CD2 3.95Å; M104-L131 HydrophobicContact CG-CD2 3.82Å; A127-L131 WeakPolarHBondContact O-CB 3.39Å; A127-L131 PolarHBondContact O-N 3.41Å; A128-L131 PolarHBondContact O-N 2.95Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 2.75Å; L131-A134 PolarHBondContact O-N 2.73Å; L131-V135 HydrophobicContact CD1-CG2 3.91Å; L131-V135 HydrophobicContact CG-CG2 4.33Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 3.17Å |
| 132 | L | 88.1 | Confident | 87 | Confident | 46 Ų | 46 | 38.4 Ų | 38.4 | 24% | 0.241 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 178.6 | -175.1 | 64.4 | 0 | 0 | 0 | 111.8 | L29 L32 V33 A128 R129 T136 | L29-L132 HydrophobicContact CD2-CD1 4.12Å; L32-L132 HydrophobicContact CD2-CD1 4.33Å; V33-L132 HydrophobicContact CG2-CD1 3.57Å; V33-L132 HydrophobicContact CG2-CD2 4.12Å; V33-L132 HydrophobicContact CG2-CG 4.5Å; A128-L132 WeakPolarHBondContact O-CB 3.4Å; A128-L132 PolarHBondContact O-N 2.9Å; R129-L132 PolarHBondContact O-N 3.37Å; L132-T136 VanDerWaalsContact O-CB 3.3Å; L132-T136 WeakPolarHBondContact O-CB 3.3Å; L132-T136 PolarHBondContact O-N 3.42Å; L132-T136 PolarHBondContact O-OG1 2.87Å |
| 133 | S | 87.8 | Confident | 87.4 | Confident | 60 Ų | 60 | 37.6 Ų | 37.6 | 42% | 0.42 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 174.9 | -173.2 | 0 | 0 | 0 | 0 | 112 | R129 A130 L131 T136 R137 | R129-S133 PolarHBondContact O-N 3.36Å; A130-S133 PolarHBondContact O-N 3.29Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 2.75Å; S133-T136 PolarHBondContact O-N 3.25Å; S133-R137 PolarHBondContact O-N 3.26Å |
| 134 | A | 90.3 | Very high | 87.4 | Confident | 12 Ų | 12 | 35 Ų | 35 | 10% | 0.099 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V97 Q100 A130 L131 R137 L138 | V97-A134 HydrophobicContact CG2-CB 3.85Å; V97-A134 WeakPolarHBondContact CG2-O 3.34Å; Q100-A134 HydrophobicContact CB-CB 4.4Å; Q100-A134 HydrophobicContact CG-CB 4.01Å; A130-A134 PolarHBondContact O-N 3.31Å; L131-A134 PolarHBondContact O-N 2.73Å; A134-R137 PolarHBondContact O-N 3.3Å; A134-L138 PolarHBondContact O-N 3.04Å |
| 135 | V | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -40.5 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 111 | L29 L32 F72 V97 L131 R137 L138 L139 | L29-V135 HydrophobicContact CD2-CG1 3.88Å; L32-V135 HydrophobicContact CD2-CB 3.97Å; L32-V135 HydrophobicContact CD2-CG1 3.89Å; L32-V135 HydrophobicContact CD2-CG2 3.87Å; F72-V135 HydrophobicContact CD1-CG1 4.11Å; F72-V135 HydrophobicContact CD2-CG1 3.94Å; F72-V135 HydrophobicContact CD2-CG2 4.44Å; F72-V135 HydrophobicContact CE1-CG1 4.08Å; F72-V135 HydrophobicContact CE2-CG1 3.92Å; F72-V135 HydrophobicContact CG-CG1 4.06Å; F72-V135 HydrophobicContact CZ-CG1 3.98Å; V97-V135 HydrophobicContact CG1-CG2 3.92Å; V97-V135 HydrophobicContact CG2-CG2 4.06Å; L131-V135 HydrophobicContact CD1-CG2 3.91Å; L131-V135 HydrophobicContact CG-CG2 4.33Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 3.17Å; V135-R137 VanDerWaalsContact C-N 3.33Å; V135-R137 PolarHBondContact O-N 3.39Å; V135-L138 PolarHBondContact O-N 2.92Å; V135-L139 HydrophobicContact CG1-CD1 4.05Å; V135-L139 HydrophobicContact CG1-CG 4.4Å; V135-L139 WeakPolarHBondContact O-CG 3.45Å; V135-L139 PolarHBondContact O-N 3.47Å |
| 136 | T | 87 | Confident | 87.7 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -45 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | I20 L29 L132 S133 L139 I140 | I20-T136 HydrophobicContact CD1-CG2 4.05Å; I20-T136 HydrophobicContact CG1-CG2 3.98Å; L29-T136 HydrophobicContact CD1-CG2 4.01Å; L132-T136 VanDerWaalsContact O-CB 3.3Å; L132-T136 WeakPolarHBondContact O-CB 3.3Å; L132-T136 PolarHBondContact O-N 3.42Å; L132-T136 PolarHBondContact O-OG1 2.87Å; S133-T136 PolarHBondContact O-N 3.25Å; T136-L139 PolarHBondContact O-N 3.06Å; T136-I140 HydrophobicContact CG2-CD1 3.86Å; T136-I140 VanDerWaalsContact O-CG1 3.31Å; T136-I140 WeakPolarHBondContact O-CG1 3.3Å; T136-I140 PolarHBondContact O-N 3.02Å |
| 137 | R | 88.1 | Confident | 87.8 | Confident | 102 Ų | 102 | 28.4 Ų | 28.4 | 39% | 0.385 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.5 | -173 | 177.8 | -178.2 | -171.2 | -1.4 | 112.4 | L18 D96 S133 A134 V135 L139 I140 L141 | L18-R137 HydrophobicContact CD2-CB 3.84Å; L18-R137 HydrophobicContact CD2-CG 4.11Å; D96-R137 IonicContact OD2-NH1 2.99Å; S133-R137 PolarHBondContact O-N 3.26Å; A134-R137 PolarHBondContact O-N 3.3Å; V135-R137 VanDerWaalsContact C-N 3.33Å; V135-R137 PolarHBondContact O-N 3.39Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.02Å; R137-I140 PolarHBondContact O-N 3.04Å; R137-L141 HydrophobicContact CG-CD1 4.18Å; R137-L141 WeakPolarHBondContact O-CG 3.46Å; R137-L141 PolarHBondContact O-N 3.39Å |
| 138 | L | 90 | Very high | 87.8 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 176.2 | 173.9 | 62 | 0 | 0 | 0 | 111.4 | L90 A93 V94 V97 A134 V135 L141 A142 | L90-L138 HydrophobicContact CD1-CD1 4.02Å; L90-L138 HydrophobicContact CG-CD1 4.26Å; A93-L138 HydrophobicContact CB-CB 4.34Å; A93-L138 HydrophobicContact CB-CD1 4.15Å; V94-L138 HydrophobicContact CG2-CD1 3.58Å; V94-L138 HydrophobicContact CG2-CD2 4.33Å; V97-L138 HydrophobicContact CG2-CB 4.04Å; V97-L138 HydrophobicContact CG2-CD2 3.98Å; A134-L138 PolarHBondContact O-N 3.04Å; V135-L138 PolarHBondContact O-N 2.92Å; L138-L141 PolarHBondContact O-N 2.92Å; L138-A142 WeakPolarHBondContact O-CB 3.46Å; L138-A142 PolarHBondContact O-N 3.31Å |
| 139 | L | 89 | Confident | 88 | Confident | 18 Ų | 18 | 32.6 Ų | 32.6 | 9% | 0.094 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.1 | -37.7 | -179 | -69.3 | 175.1 | 0 | 0 | 0 | 112.8 | V25 L28 L29 F72 V135 T136 R137 A142 D143 | V25-L139 HydrophobicContact CG1-CB 3.94Å; V25-L139 HydrophobicContact CG1-CD1 4.45Å; V25-L139 HydrophobicContact CG2-CB 4.2Å; L28-L139 HydrophobicContact CB-CD1 3.98Å; L28-L139 HydrophobicContact CB-CD2 4.46Å; L28-L139 HydrophobicContact CD1-CD2 3.97Å; L29-L139 HydrophobicContact CD1-CD1 4.49Å; L29-L139 HydrophobicContact CD2-CD1 3.71Å; L29-L139 HydrophobicContact CG-CD1 3.67Å; F72-L139 HydrophobicContact CD1-CD2 4.25Å; F72-L139 HydrophobicContact CE1-CD1 4.01Å; F72-L139 HydrophobicContact CE1-CD2 4.05Å; F72-L139 HydrophobicContact CE1-CG 4.39Å; V135-L139 HydrophobicContact CG1-CD1 4.05Å; V135-L139 HydrophobicContact CG1-CG 4.4Å; V135-L139 WeakPolarHBondContact O-CG 3.45Å; V135-L139 PolarHBondContact O-N 3.47Å; T136-L139 PolarHBondContact O-N 3.06Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.02Å; L139-A142 PolarHBondContact O-N 3.4Å; L139-D143 PolarHBondContact O-N 3.32Å |
| 140 | I | 86.3 | Confident | 88.4 | Confident | 11 Ų | 11 | 23.8 Ų | 23.8 | 6% | 0.056 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.7 | -45.8 | 174.3 | -69.8 | 169.1 | 0 | 0 | 0 | 110.6 | L18 I20 T136 R137 A142 D143 M144 | L18-I140 VanDerWaalsContact C-CD1 3.45Å; I20-I140 HydrophobicContact CG1-CD1 4.38Å; T136-I140 HydrophobicContact CG2-CD1 3.86Å; T136-I140 VanDerWaalsContact O-CG1 3.31Å; T136-I140 WeakPolarHBondContact O-CG1 3.3Å; T136-I140 PolarHBondContact O-N 3.02Å; R137-I140 PolarHBondContact O-N 3.04Å; I140-A142 VanDerWaalsContact C-N 3.32Å; I140-A142 PolarHBondContact O-N 3.2Å; I140-D143 WeakPolarHBondContact O-CB 3.41Å; I140-D143 PolarHBondContact O-N 3.16Å; I140-M144 HydrophobicContact CG2-SD 4.23Å; I140-M144 VanDerWaalsContact O-CG 3.29Å; I140-M144 WeakPolarHBondContact O-CG 3.41Å; I140-M144 PolarHBondContact O-N 3.24Å |
| 141 | L | 86.4 | Confident | 88.5 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.5 | -34.9 | 177.6 | -71.4 | 171.4 | 0 | 0 | 0 | 112.3 | P15 L86 E89 L90 A93 R137 L138 M144 A145 | P15-L141 HydrophobicContact CB-CD2 4.18Å; L86-L141 HydrophobicContact CD1-CD2 4.04Å; E89-L141 HydrophobicContact CB-CD1 4.3Å; L90-L141 HydrophobicContact CD1-CB 3.32Å; L90-L141 HydrophobicContact CD1-CD1 4.47Å; A93-L141 HydrophobicContact CB-CD1 3.76Å; R137-L141 HydrophobicContact CG-CD1 4.18Å; R137-L141 WeakPolarHBondContact O-CG 3.46Å; R137-L141 PolarHBondContact O-N 3.39Å; L138-L141 PolarHBondContact O-N 2.92Å; L141-M144 HydrophobicContact CD2-SD 4.05Å; L141-M144 WeakPolarHBondContact O-CB 3.49Å; L141-M144 PolarHBondContact O-N 2.7Å; L141-A145 PolarHBondContact O-N 3.37Å |
| 142 | A | 86.6 | Confident | 88.6 | Confident | 13 Ų | 13 | 24.8 Ų | 24.8 | 11% | 0.107 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | I79 L138 L139 I140 A145 D146 | I79-A142 HydrophobicContact CD1-CB 4.08Å; I79-A142 HydrophobicContact CG2-CB 4.39Å; L138-A142 WeakPolarHBondContact O-CB 3.46Å; L138-A142 PolarHBondContact O-N 3.31Å; L139-A142 PolarHBondContact O-N 3.4Å; I140-A142 VanDerWaalsContact C-N 3.32Å; I140-A142 PolarHBondContact O-N 3.2Å; A142-A145 WeakPolarHBondContact O-CB 3.39Å; A142-A145 PolarHBondContact O-N 3Å; A142-D146 PolarHBondContact O-N 3.28Å; A142-D146 VanDerWaalsContact O-N 3.1Å |
| 143 | D | 87.4 | Confident | 88.9 | Confident | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.064 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.6 | -171.6 | 35.5 | 0 | 0 | 0 | 111.4 | W13 T22 V25 L139 I140 A145 D146 V147 R194 | W13-D143 WeakPolarHBondContact CH2-OD2 3.28Å; T22-D143 WeakPolarHBondContact CG2-OD2 3.27Å; T22-D143 PolarHBondContact OG1-OD2 3.31Å; V25-D143 HydrophobicContact CG2-CB 4.21Å; L139-D143 PolarHBondContact O-N 3.32Å; I140-D143 WeakPolarHBondContact O-CB 3.41Å; I140-D143 PolarHBondContact O-N 3.16Å; D143-A145 VanDerWaalsContact C-N 3.31Å; D143-A145 PolarHBondContact O-N 2.94Å; D143-D146 PolarHBondContact O-N 3.3Å; D143-D146 VanDerWaalsContact O-N 3.16Å; D143-V147 WeakPolarHBondContact O-CG2 3.41Å; D143-V147 PolarHBondContact O-N 3Å; D143-R194 IonicContact OD1-CZ 2.85Å; D143-R194 IonicContact OD1-NH1 3.15Å; D143-R194 PolarHBondContact OD1-NH1 3.48Å; D143-R194 IonicContact OD2-NH1 3.72Å; D143-R194 PolarHBondContact OD2-NH1 2.95Å |
| 144 | M | 86.8 | Confident | 89.2 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.9 | -42.2 | 173.7 | -71.7 | 175.5 | 80.8 | 0 | 0 | 112.7 | F11 W13 P15 L86 I140 L141 D146 V147 Y148 | F11-M144 HydrophobicContact CE1-CE 3.43Å; F11-M144 VanDerWaalsContact CE1-CE 3.43Å; F11-M144 HydrophobicContact CZ-CB 4Å; F11-M144 HydrophobicContact CZ-CE 3.78Å; F11-M144 HydrophobicContact CZ-CG 4.08Å; W13-M144 HydrophobicContact CB-CE 3.89Å; W13-M144 HydrophobicContact CE3-CG 3.47Å; W13-M144 VanDerWaalsContact CE3-CG 3.47Å; W13-M144 HydrophobicContact CZ3-CG 3.92Å; P15-M144 HydrophobicContact CB-CE 3.93Å; P15-M144 HydrophobicContact CB-SD 4.4Å; P15-M144 HydrophobicContact CG-CE 3.77Å; L86-M144 HydrophobicContact CD1-CB 4.17Å; L86-M144 HydrophobicContact CD1-CE 3.89Å; L86-M144 HydrophobicContact CD1-SD 4.26Å; I140-M144 HydrophobicContact CG2-SD 4.23Å; I140-M144 VanDerWaalsContact O-CG 3.29Å; I140-M144 WeakPolarHBondContact O-CG 3.41Å; I140-M144 PolarHBondContact O-N 3.24Å; L141-M144 HydrophobicContact CD2-SD 4.05Å; L141-M144 WeakPolarHBondContact O-CB 3.49Å; L141-M144 PolarHBondContact O-N 2.7Å; M144-D146 VanDerWaalsContact C-N 3.34Å; M144-V147 PolarHBondContact O-N 2.98Å; M144-Y148 WeakPolarHBondContact O-CB 3.45Å; M144-Y148 PolarHBondContact O-N 3Å |
| 145 | A | 86.2 | Confident | 89.4 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L141 A142 D143 Y148 K149 | L141-A145 PolarHBondContact O-N 3.37Å; A142-A145 WeakPolarHBondContact O-CB 3.39Å; A142-A145 PolarHBondContact O-N 3Å; D143-A145 VanDerWaalsContact C-N 3.31Å; D143-A145 PolarHBondContact O-N 2.94Å; A145-Y148 PolarHBondContact O-N 2.93Å; A145-K149 VanDerWaalsContact O-CG 3.29Å; A145-K149 WeakPolarHBondContact O-CG 3.38Å; A145-K149 PolarHBondContact O-N 3.03Å |
| 146 | D | 86.8 | Confident | 89.7 | Confident | 57 Ų | 57 | 25 Ų | 25 | 31% | 0.305 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -68.8 | -40.9 | 177 | -84.8 | 1.2 | 0 | 0 | 0 | 112.4 | A142 D143 M144 Y148 K149 L150 K193 | A142-D146 PolarHBondContact O-N 3.28Å; A142-D146 VanDerWaalsContact O-N 3.1Å; D143-D146 PolarHBondContact O-N 3.3Å; D143-D146 VanDerWaalsContact O-N 3.16Å; M144-D146 VanDerWaalsContact C-N 3.34Å; D146-Y148 VanDerWaalsContact C-N 3.34Å; D146-Y148 PolarHBondContact O-N 3.49Å; D146-K149 PolarHBondContact O-N 3.11Å; D146-K149 IonicContact OD1-NZ 2.71Å; D146-K149 PolarHBondContact OD1-NZ 2.97Å; D146-L150 PolarHBondContact O-N 3.43Å; D146-K193 IonicContact OD2-NZ 2.89Å; D146-K193 PolarHBondContact OD2-NZ 2.88Å; D146-K193 VanDerWaalsContact OD2-NZ 3.15Å |
| 147 | V | 89.1 | Confident | 90.1 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 172.5 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | F11 W13 D143 M144 K149 L150 L151 R194 Q260 | F11-V147 HydrophobicContact CD2-CG1 4.47Å; F11-V147 HydrophobicContact CE2-CB 4.2Å; F11-V147 HydrophobicContact CE2-CG1 3.88Å; W13-V147 HydrophobicContact CH2-CG2 3.67Å; W13-V147 HydrophobicContact CZ2-CG2 4.03Å; W13-V147 HydrophobicContact CZ3-CG2 4.27Å; D143-V147 WeakPolarHBondContact O-CG2 3.41Å; D143-V147 PolarHBondContact O-N 3Å; M144-V147 PolarHBondContact O-N 2.98Å; V147-K149 PolarHBondContact O-N 3Å; V147-L150 WeakPolarHBondContact O-CB 3.48Å; V147-L150 PolarHBondContact O-N 3.13Å; V147-L151 HydrophobicContact CG1-CD1 4.45Å; V147-L151 WeakPolarHBondContact O-CG 3.44Å; V147-L151 PolarHBondContact O-N 3.17Å; V147-R194 VanDerWaalsContact CG2-CZ 3.49Å; V147-Q260 HydrophobicContact CG1-CG 4.21Å |
| 148 | Y | 88.7 | Confident | 90.5 | Very high | 29 Ų | 29 | 21.8 Ų | 21.8 | 11% | 0.114 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 176.7 | -174.2 | -91.5 | 0 | 0 | 0 | 112.1 | I9 F11 F85 M144 A145 D146 L150 L151 V152 | I9-Y148 HydrophobicContact CB-CE2 4.07Å; I9-Y148 HydrophobicContact CD1-CE1 4.35Å; I9-Y148 HydrophobicContact CD1-CE2 4.09Å; I9-Y148 HydrophobicContact CG2-CD2 4.21Å; I9-Y148 HydrophobicContact CG2-CE2 3.89Å; F11-Y148 HydrophobicContact CD2-CD2 4.5Å; F85-Y148 HydrophobicContact CB-CD1 3.46Å; F85-Y148 VanDerWaalsContact CB-CD1 3.46Å; F85-Y148 HydrophobicContact CB-CD2 4.4Å; F85-Y148 HydrophobicContact CB-CE1 3.77Å; F85-Y148 HydrophobicContact CB-CG 3.81Å; F85-Y148 HydrophobicContact CD1-CD1 4.22Å; F85-Y148 AromaticContact CD1-CD2 3.97Å; F85-Y148 HydrophobicContact CD1-CD2 3.97Å; F85-Y148 AromaticContact CD1-CG 3.64Å; F85-Y148 HydrophobicContact CD1-CG 3.64Å; F85-Y148 HydrophobicContact CD2-CD1 4.24Å; F85-Y148 AromaticContact CD2-CD2 3.68Å; F85-Y148 HydrophobicContact CD2-CD2 3.68Å; F85-Y148 HydrophobicContact CD2-CE1 4.26Å; F85-Y148 AromaticContact CD2-CE2 3.7Å; F85-Y148 HydrophobicContact CD2-CE2 3.7Å; F85-Y148 AromaticContact CD2-CG 3.95Å; F85-Y148 HydrophobicContact CD2-CG 3.95Å; F85-Y148 AromaticContact CD2-CZ 3.98Å; F85-Y148 HydrophobicContact CE1-CD2 4.08Å; F85-Y148 HydrophobicContact CE1-CG 4.14Å; F85-Y148 AromaticContact CE2-CD2 3.83Å; F85-Y148 HydrophobicContact CE2-CD2 3.83Å; F85-Y148 AromaticContact CE2-CE2 3.95Å; F85-Y148 HydrophobicContact CE2-CE2 3.95Å; F85-Y148 HydrophobicContact CE2-CG 4.44Å; F85-Y148 AromaticContact CG-CD1 3.74Å; F85-Y148 HydrophobicContact CG-CD1 3.74Å; F85-Y148 AromaticContact CG-CD2 3.75Å; F85-Y148 HydrophobicContact CG-CD2 3.75Å; F85-Y148 HydrophobicContact CG-CE1 4.13Å; F85-Y148 HydrophobicContact CG-CE2 4.14Å; F85-Y148 AromaticContact CG-CG 3.52Å; F85-Y148 HydrophobicContact CG-CG 3.52Å; F85-Y148 HydrophobicContact CZ-CD2 4.03Å; M144-Y148 WeakPolarHBondContact O-CB 3.45Å; M144-Y148 PolarHBondContact O-N 3Å; A145-Y148 PolarHBondContact O-N 2.93Å; D146-Y148 VanDerWaalsContact C-N 3.34Å; D146-Y148 PolarHBondContact O-N 3.49Å; Y148-L150 VanDerWaalsContact C-N 3.25Å; Y148-L150 PolarHBondContact O-N 2.91Å; Y148-L151 PolarHBondContact O-N 3.3Å; Y148-L151 VanDerWaalsContact O-N 3.09Å; Y148-V152 HydrophobicContact CD1-CG2 3.81Å; Y148-V152 HydrophobicContact CE1-CG2 3.48Å; Y148-V152 VanDerWaalsContact CE1-CG2 3.48Å; Y148-V152 WeakPolarHBondContact O-CG2 3.48Å; Y148-V152 PolarHBondContact O-N 3.13Å |
| 149 | K | 89.4 | Confident | 90.8 | Very high | 72 Ų | 72 | 24.5 Ų | 24.5 | 31% | 0.313 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -56.3 | -41.3 | 173.9 | -71.4 | 170 | -162.8 | 160.9 | 0 | 111.4 | A145 D146 V147 V152 Q153 M190 | A145-K149 VanDerWaalsContact O-CG 3.29Å; A145-K149 WeakPolarHBondContact O-CG 3.38Å; A145-K149 PolarHBondContact O-N 3.03Å; D146-K149 PolarHBondContact O-N 3.11Å; D146-K149 IonicContact OD1-NZ 2.71Å; D146-K149 PolarHBondContact OD1-NZ 2.97Å; V147-K149 PolarHBondContact O-N 3Å; K149-V152 PolarHBondContact O-N 3.05Å; K149-Q153 PolarHBondContact O-N 3.48Å; K149-M190 VanDerWaalsContact C-CE 3.5Å; K149-M190 HydrophobicContact CB-CE 3.8Å |
| 150 | L | 92.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 175.6 | 171.8 | 63.9 | 0 | 0 | 0 | 111.4 | D146 V147 Y148 Q153 L154 L187 M190 A191 R194 A259 | D146-L150 PolarHBondContact O-N 3.43Å; V147-L150 WeakPolarHBondContact O-CB 3.48Å; V147-L150 PolarHBondContact O-N 3.13Å; Y148-L150 VanDerWaalsContact C-N 3.25Å; Y148-L150 PolarHBondContact O-N 2.91Å; L150-Q153 PolarHBondContact O-N 2.87Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 2.95Å; L150-L187 HydrophobicContact CD1-CD1 3.52Å; L150-M190 HydrophobicContact CB-CE 4.14Å; L150-M190 HydrophobicContact CD1-CB 3.66Å; L150-A191 HydrophobicContact CD1-CB 4.31Å; L150-R194 HydrophobicContact CD2-CB 4.06Å; L150-R194 HydrophobicContact CD2-CG 4.14Å; L150-A259 HydrophobicContact CD2-CB 3.58Å |
| 151 | L | 92.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.4 | -34.4 | 178 | -62.5 | 178.3 | 0 | 0 | 0 | 113.1 | I9 F11 V147 Y148 L154 K155 Q260 | I9-L151 HydrophobicContact CG2-CB 3.8Å; I9-L151 HydrophobicContact CG2-CD1 3.96Å; F11-L151 HydrophobicContact CD2-CD1 3.89Å; V147-L151 HydrophobicContact CG1-CD1 4.45Å; V147-L151 WeakPolarHBondContact O-CG 3.44Å; V147-L151 PolarHBondContact O-N 3.17Å; Y148-L151 PolarHBondContact O-N 3.3Å; Y148-L151 VanDerWaalsContact O-N 3.09Å; L151-L154 HydrophobicContact CD2-CD2 4.15Å; L151-L154 WeakPolarHBondContact O-CB 3.37Å; L151-L154 PolarHBondContact O-N 3.42Å; L151-K155 PolarHBondContact O-N 3.35Å; L151-Q260 HydrophobicContact CD1-CG 4.11Å; L151-Q260 HydrophobicContact CD2-CG 4.31Å |
| 152 | V | 91.5 | Very high | 92.2 | Very high | 46 Ų | 46 | 27 Ų | 27 | 28% | 0.279 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -61.2 | -49.8 | 171.7 | 174 | 0 | 0 | 0 | 0 | 110.1 | I9 Y148 K149 L154 K155 V156 | I9-V152 HydrophobicContact CD1-CB 4.12Å; I9-V152 HydrophobicContact CD1-CG2 3.32Å; Y148-V152 HydrophobicContact CD1-CG2 3.81Å; Y148-V152 HydrophobicContact CE1-CG2 3.48Å; Y148-V152 VanDerWaalsContact CE1-CG2 3.48Å; Y148-V152 WeakPolarHBondContact O-CG2 3.48Å; Y148-V152 PolarHBondContact O-N 3.13Å; K149-V152 PolarHBondContact O-N 3.05Å; V152-L154 VanDerWaalsContact C-N 3.25Å; V152-L154 PolarHBondContact O-N 3.29Å; V152-K155 PolarHBondContact O-N 3.13Å; V152-K155 VanDerWaalsContact O-N 3.17Å; V152-V156 PolarHBondContact O-N 3.27Å; V152-V156 VanDerWaalsContact O-N 3.13Å |
| 153 | Q | 94.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 32.1 Ų | 32.1 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -37 | 178.4 | -172.6 | 62.5 | 42.2 | 0 | 0 | 111.5 | K149 L150 K155 V156 V157 E183 K186 L187 M190 | K149-Q153 PolarHBondContact O-N 3.48Å; L150-Q153 PolarHBondContact O-N 2.87Å; Q153-K155 VanDerWaalsContact C-N 3.33Å; Q153-K155 PolarHBondContact O-N 3.39Å; Q153-V156 WeakPolarHBondContact O-CB 3.48Å; Q153-V156 PolarHBondContact O-N 3.17Å; Q153-V157 PolarHBondContact O-N 3.36Å; Q153-V157 VanDerWaalsContact O-N 3.12Å; Q153-E183 PolarHBondContact NE2-O 2.9Å; Q153-E183 PolarHBondContact NE2-OE2 2.94Å; Q153-K186 HydrophobicContact CG-CG 4.41Å; Q153-K186 VanDerWaalsContact OE1-CE 3.31Å; Q153-L187 HydrophobicContact CB-CD1 4.41Å; Q153-L187 HydrophobicContact CG-CB 3.9Å; Q153-L187 HydrophobicContact CG-CD1 4.25Å; Q153-M190 HydrophobicContact CB-SD 3.94Å; Q153-M190 HydrophobicContact CG-SD 3.99Å |
| 154 | L | 94.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.6 | -169.4 | 68.9 | 0 | 0 | 0 | 111.7 | L150 L151 V152 V157 E158 L187 V252 I255 | L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 2.95Å; L151-L154 HydrophobicContact CD2-CD2 4.15Å; L151-L154 WeakPolarHBondContact O-CB 3.37Å; L151-L154 PolarHBondContact O-N 3.42Å; V152-L154 VanDerWaalsContact C-N 3.25Å; V152-L154 PolarHBondContact O-N 3.29Å; L154-V157 PolarHBondContact O-N 3.43Å; L154-E158 WeakPolarHBondContact O-CB 3.14Å; L154-E158 PolarHBondContact O-N 3.28Å; L154-L187 HydrophobicContact CB-CD1 4.1Å; L154-L187 HydrophobicContact CD1-CD1 3.91Å; L154-L187 HydrophobicContact CD1-CD2 3.56Å; L154-L187 HydrophobicContact CD1-CG 4.33Å; L154-V252 HydrophobicContact CD1-CB 4.34Å; L154-V252 HydrophobicContact CD1-CG1 3.72Å; L154-V252 HydrophobicContact CD2-CG1 4.3Å; L154-V252 HydrophobicContact CG-CG1 3.74Å; L154-I255 HydrophobicContact CD1-CB 4.03Å; L154-I255 HydrophobicContact CD1-CD1 4.47Å; L154-I255 HydrophobicContact CD1-CG2 3.82Å; L154-I255 HydrophobicContact CD2-CG2 4.47Å |
| 155 | K | 93.8 | Very high | 93.5 | Very high | 65 Ų | 65 | 34.2 Ų | 34.2 | 28% | 0.283 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.2 | -168.5 | 71.5 | -154.5 | 162.1 | 0 | 112.6 | L151 V152 Q153 V157 E158 D159 | L151-K155 PolarHBondContact O-N 3.35Å; V152-K155 PolarHBondContact O-N 3.13Å; V152-K155 VanDerWaalsContact O-N 3.17Å; Q153-K155 VanDerWaalsContact C-N 3.33Å; Q153-K155 PolarHBondContact O-N 3.39Å; K155-V157 VanDerWaalsContact C-N 3.31Å; K155-V157 PolarHBondContact O-N 3.08Å; K155-E158 WeakPolarHBondContact CD-OE2 3.35Å; K155-E158 IonicContact NZ-OE1 2.83Å; K155-E158 IonicContact NZ-OE2 2.81Å; K155-E158 PolarHBondContact NZ-OE2 2.62Å; K155-E158 PolarHBondContact O-N 3.11Å; K155-D159 WeakPolarHBondContact CE-OD1 3.49Å; K155-D159 IonicContact NZ-OD1 3.79Å; K155-D159 PolarHBondContact O-N 3.47Å |
| 156 | V | 95.6 | Very high | 94 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 24% | 0.242 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -45.7 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | V4 V152 Q153 G160 E183 | V4-V156 HydrophobicContact CG2-CG2 4.12Å; V152-V156 PolarHBondContact O-N 3.27Å; V152-V156 VanDerWaalsContact O-N 3.13Å; Q153-V156 WeakPolarHBondContact O-CB 3.48Å; Q153-V156 PolarHBondContact O-N 3.17Å; V156-G160 PolarHBondContact O-N 3.09Å; V156-E183 HydrophobicContact CG1-CB 4.17Å; V156-E183 HydrophobicContact CG1-CG 3.96Å |
| 157 | V | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.9 | -42.6 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | Q153 L154 K155 D159 G160 I161 L180 E183 V184 L187 L214 | Q153-V157 PolarHBondContact O-N 3.36Å; Q153-V157 VanDerWaalsContact O-N 3.12Å; L154-V157 PolarHBondContact O-N 3.43Å; K155-V157 VanDerWaalsContact C-N 3.31Å; K155-V157 PolarHBondContact O-N 3.08Å; V157-D159 PolarHBondContact O-N 3.49Å; V157-G160 PolarHBondContact O-N 3.32Å; V157-I161 HydrophobicContact CG1-CD1 3.64Å; V157-I161 HydrophobicContact CG1-CG1 4.23Å; V157-I161 VanDerWaalsContact O-CG1 3.25Å; V157-I161 WeakPolarHBondContact O-CG1 3.41Å; V157-I161 PolarHBondContact O-N 3.41Å; V157-L180 HydrophobicContact CG1-CD1 4.37Å; V157-E183 HydrophobicContact CG2-CB 4.13Å; V157-E183 WeakPolarHBondContact CG2-O 3.46Å; V157-V184 HydrophobicContact CG1-CG2 3.84Å; V157-V184 HydrophobicContact CG2-CG2 4.18Å; V157-L187 HydrophobicContact CB-CD2 3.85Å; V157-L187 HydrophobicContact CG1-CD2 3.96Å; V157-L187 HydrophobicContact CG2-CB 3.98Å; V157-L187 HydrophobicContact CG2-CD2 3.75Å; V157-L214 HydrophobicContact CG1-CD1 4.23Å |
| 158 | E | 96 | Very high | 94.6 | Very high | 54 Ų | 54 | 39.4 Ų | 39.4 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.7 | -50 | 176.9 | -167.3 | -175.6 | -175.7 | 0 | 0 | 112 | L154 K155 G160 I161 L162 V252 | L154-E158 WeakPolarHBondContact O-CB 3.14Å; L154-E158 PolarHBondContact O-N 3.28Å; K155-E158 WeakPolarHBondContact CD-OE2 3.35Å; K155-E158 IonicContact NZ-OE1 2.83Å; K155-E158 IonicContact NZ-OE2 2.81Å; K155-E158 PolarHBondContact NZ-OE2 2.62Å; K155-E158 PolarHBondContact O-N 3.11Å; E158-G160 VanDerWaalsContact C-N 3.31Å; E158-G160 PolarHBondContact O-N 2.99Å; E158-I161 PolarHBondContact O-N 3.15Å; E158-L162 PolarHBondContact O-N 2.85Å; E158-L162 VanDerWaalsContact O-N 3.12Å; E158-V252 HydrophobicContact CB-CG1 4.07Å; E158-V252 HydrophobicContact CG-CG1 4.2Å |
| 159 | D | 95.8 | Very high | 94.8 | Very high | 60 Ų | 60 | 41.1 Ų | 41.1 | 32% | 0.321 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66 | -36 | 178.7 | -68.2 | -16.5 | 0 | 0 | 0 | 111.4 | K155 V157 L162 K163 | K155-D159 WeakPolarHBondContact CE-OD1 3.49Å; K155-D159 IonicContact NZ-OD1 3.79Å; K155-D159 PolarHBondContact O-N 3.47Å; V157-D159 PolarHBondContact O-N 3.49Å; D159-L162 PolarHBondContact O-N 3.34Å; D159-K163 WeakPolarHBondContact O-CG 3.37Å; D159-K163 PolarHBondContact O-N 2.97Å |
| 160 | G | 96.4 | Very high | 95 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 12% | 0.124 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V156 V157 E158 L162 K163 L164 | V156-G160 PolarHBondContact O-N 3.09Å; V157-G160 PolarHBondContact O-N 3.32Å; E158-G160 VanDerWaalsContact C-N 3.31Å; E158-G160 PolarHBondContact O-N 2.99Å; G160-L162 VanDerWaalsContact C-N 3.34Å; G160-K163 PolarHBondContact O-N 3.18Å; G160-L164 WeakPolarHBondContact O-CB 3.42Å; G160-L164 PolarHBondContact O-N 3.02Å |
| 161 | I | 97.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 173.4 | -68.9 | 165.2 | 0 | 0 | 0 | 110.4 | V157 E158 L164 R165 L180 L214 V218 L221 Y245 L248 V252 | V157-I161 HydrophobicContact CG1-CD1 3.64Å; V157-I161 HydrophobicContact CG1-CG1 4.23Å; V157-I161 VanDerWaalsContact O-CG1 3.25Å; V157-I161 WeakPolarHBondContact O-CG1 3.41Å; V157-I161 PolarHBondContact O-N 3.41Å; E158-I161 PolarHBondContact O-N 3.15Å; I161-L164 PolarHBondContact O-N 3.02Å; I161-R165 PolarHBondContact O-N 3Å; I161-L180 HydrophobicContact CG1-CD2 4.02Å; I161-L214 HydrophobicContact CD1-CD1 3.81Å; I161-V218 HydrophobicContact CD1-CG2 4.49Å; I161-V218 HydrophobicContact CG1-CG2 4.48Å; I161-L221 HydrophobicContact CG2-CD2 3.7Å; I161-Y245 HydrophobicContact CG2-CD2 3.67Å; I161-Y245 HydrophobicContact CG2-CE2 3.74Å; I161-L248 HydrophobicContact CD1-CB 4.32Å; I161-L248 HydrophobicContact CD1-CD2 4.42Å; I161-L248 HydrophobicContact CG2-CB 4.08Å; I161-L248 HydrophobicContact CG2-CD1 4.03Å; I161-V252 HydrophobicContact CD1-CG2 4.03Å |
| 162 | L | 96.6 | Very high | 95.3 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 36% | 0.356 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 174.8 | 176.9 | 62.5 | 0 | 0 | 0 | 112.1 | E158 D159 G160 L164 R165 N166 Y245 | E158-L162 PolarHBondContact O-N 2.85Å; E158-L162 VanDerWaalsContact O-N 3.12Å; D159-L162 PolarHBondContact O-N 3.34Å; G160-L162 VanDerWaalsContact C-N 3.34Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-R165 PolarHBondContact O-N 3.44Å; L162-N166 VanDerWaalsContact CD1-ND2 3.27Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.5Å; L162-N166 WeakPolarHBondContact O-CB 3.41Å; L162-N166 VanDerWaalsContact O-CG 3.26Å; L162-N166 PolarHBondContact O-N 2.95Å; L162-N166 PolarHBondContact O-ND2 2.79Å; L162-Y245 HydrophobicContact CB-CE2 4.27Å; L162-Y245 HydrophobicContact CD1-CE2 4.34Å; L162-Y245 WeakPolarHBondContact CD1-OH 3.34Å |
| 163 | K | 96.6 | Very high | 95.5 | Very high | 122 Ų | 122 | 49 Ų | 49 | 53% | 0.53 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 175.1 | -74.2 | 173.4 | -176 | 174.9 | 0 | 112.2 | D159 G160 N166 A167 Q176 | D159-K163 WeakPolarHBondContact O-CG 3.37Å; D159-K163 PolarHBondContact O-N 2.97Å; G160-K163 PolarHBondContact O-N 3.18Å; K163-N166 PolarHBondContact O-N 3.39Å; K163-A167 PolarHBondContact O-N 3.37Å; K163-A167 VanDerWaalsContact O-N 3.13Å; K163-Q176 HydrophobicContact CB-CG 4.26Å |
| 164 | L | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 176.3 | -169.9 | 76.8 | 0 | 0 | 0 | 111 | G160 I161 L162 N166 A167 L173 Q176 Y177 L180 L221 Y222 | G160-L164 WeakPolarHBondContact O-CB 3.42Å; G160-L164 PolarHBondContact O-N 3.02Å; I161-L164 PolarHBondContact O-N 3.02Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L164-N166 VanDerWaalsContact C-N 3.3Å; L164-N166 PolarHBondContact O-N 3.5Å; L164-A167 WeakPolarHBondContact O-CB 3.46Å; L164-A167 PolarHBondContact O-N 3.46Å; L164-L173 HydrophobicContact CD1-CD1 3.67Å; L164-L173 HydrophobicContact CG-CD1 3.94Å; L164-L173 VanDerWaalsContact O-CD1 3.31Å; L164-L173 WeakPolarHBondContact O-CD1 3.38Å; L164-Q176 HydrophobicContact CD1-CB 3.98Å; L164-Y177 HydrophobicContact CD1-CD2 4.26Å; L164-Y177 HydrophobicContact CD2-CD2 4.35Å; L164-L180 HydrophobicContact CB-CD2 4.35Å; L164-L180 HydrophobicContact CD2-CD2 4.15Å; L164-L221 HydrophobicContact CD2-CB 4.25Å; L164-L221 HydrophobicContact CD2-CD2 3.9Å; L164-L221 HydrophobicContact CD2-CG 3.95Å; L164-Y222 HydrophobicContact CD1-CD2 4.39Å |
| 165 | R | 95.9 | Very high | 95.6 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 21% | 0.211 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -40 | 176.9 | 176.1 | -178.5 | 177.4 | -87.4 | 4.5 | 112.7 | I161 L162 A167 D242 Y245 | I161-R165 PolarHBondContact O-N 3Å; L162-R165 PolarHBondContact O-N 3.44Å; R165-A167 VanDerWaalsContact C-N 3.33Å; R165-D242 IonicContact CZ-OD1 3.21Å; R165-D242 IonicContact NE-OD1 3.59Å; R165-D242 PolarHBondContact NE-OD1 3.09Å; R165-D242 IonicContact NH2-OD1 3.69Å; R165-D242 PolarHBondContact NH2-OD1 2.91Å; R165-D242 IonicContact NH2-OD2 2.71Å; R165-D242 PolarHBondContact NH2-OD2 2.72Å; R165-D242 VanDerWaalsContact NH2-OD2 3.1Å; R165-Y245 HydrophobicContact CB-CD2 3.95Å; R165-Y245 HydrophobicContact CB-CE2 4.32Å; R165-Y245 VanDerWaalsContact CD-CG 3.42Å; R165-Y245 HydrophobicContact CG-CD2 4.35Å; R165-Y245 HydrophobicContact CG-CG 4.45Å |
| 166 | N | 95.8 | Very high | 95.8 | Very high | 94 Ų | 94 | 53.1 Ų | 53.1 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 5.4 | -172.8 | -65 | -16.2 | 0 | 0 | 0 | 113.6 | L162 K163 L164 G168 | L162-N166 VanDerWaalsContact CD1-ND2 3.27Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.5Å; L162-N166 WeakPolarHBondContact O-CB 3.41Å; L162-N166 VanDerWaalsContact O-CG 3.26Å; L162-N166 PolarHBondContact O-N 2.95Å; L162-N166 PolarHBondContact O-ND2 2.79Å; K163-N166 PolarHBondContact O-N 3.39Å; L164-N166 VanDerWaalsContact C-N 3.3Å; L164-N166 PolarHBondContact O-N 3.5Å; N166-G168 PolarHBondContact O-N 3.27Å |
| 167 | A | 95.8 | Very high | 95.9 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 12% | 0.116 | 29% | 0.286 | C | S | . | . | trans | -58.2 | 130.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | K163 L164 R165 D172 L173 | K163-A167 PolarHBondContact O-N 3.37Å; K163-A167 VanDerWaalsContact O-N 3.13Å; L164-A167 WeakPolarHBondContact O-CB 3.46Å; L164-A167 PolarHBondContact O-N 3.46Å; R165-A167 VanDerWaalsContact C-N 3.33Å; A167-D172 HydrophobicContact CB-CB 4.44Å; A167-L173 HydrophobicContact CB-CB 3.82Å; A167-L173 HydrophobicContact CB-CD1 3.92Å; A167-L173 HydrophobicContact CB-CG 4.49Å | ||
| 168 | G | 92.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 61.9 Ų | 61.9 | 62% | 0.619 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -92.1 | -11.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N166 L229 | N166-G168 PolarHBondContact O-N 3.27Å; G168-L229 WeakPolarHBondContact O-CD2 3.26Å |
| 169 | N | 94.6 | Very high | 95.9 | Very high | 66 Ų | 66 | 62 Ų | 62 | 35% | 0.353 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -152.3 | 164.3 | 178.1 | 60.9 | 70.6 | 0 | 0 | 0 | 110.1 | Q171 D172 L173 | N169-Q171 VanDerWaalsContact C-N 3.31Å; N169-Q171 PolarHBondContact O-N 2.92Å; N169-Q171 WeakPolarHBondContact OD1-CB 3.29Å; N169-Q171 PolarHBondContact OD1-N 3.05Å; N169-D172 PolarHBondContact ND2-OD2 3.3Å; N169-D172 PolarHBondContact O-N 3Å; N169-D172 WeakPolarHBondContact OD1-CB 3.35Å; N169-D172 PolarHBondContact OD1-N 3.25Å; N169-L173 WeakPolarHBondContact O-CB 3.5Å; N169-L173 PolarHBondContact O-N 3.07Å |
| 170 | E | 93.6 | Very high | 96 | Very high | 81 Ų | 81 | 59.5 Ų | 59.5 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.1 | -32.4 | -174.9 | -64.6 | -170.1 | 169.8 | 0 | 0 | 113.5 | L173 G174 L229 Q230 | E170-L173 PolarHBondContact O-N 3.01Å; E170-G174 PolarHBondContact O-N 3.39Å; E170-L229 HydrophobicContact CG-CB 4.47Å; E170-L229 HydrophobicContact CG-CD1 4.45Å; E170-Q230 VanDerWaalsContact OE1-CD 3.25Å; E170-Q230 WeakPolarHBondContact OE1-CG 3.43Å; E170-Q230 PolarHBondContact OE1-NE2 3.49Å |
| 171 | Q | 94.2 | Very high | 95.9 | Very high | 147 Ų | 147 | 61.9 Ų | 61.9 | 69% | 0.687 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.8 | -49.7 | 178.1 | -178 | 179.8 | 2.2 | 0 | 0 | 110.4 | N169 L173 G174 I175 | N169-Q171 VanDerWaalsContact C-N 3.31Å; N169-Q171 PolarHBondContact O-N 2.92Å; N169-Q171 WeakPolarHBondContact OD1-CB 3.29Å; N169-Q171 PolarHBondContact OD1-N 3.05Å; Q171-L173 VanDerWaalsContact C-N 3.32Å; Q171-L173 PolarHBondContact O-N 3.03Å; Q171-G174 PolarHBondContact O-N 3.13Å; Q171-I175 HydrophobicContact CG-CD1 4.14Å; Q171-I175 VanDerWaalsContact O-CG1 3.28Å; Q171-I175 WeakPolarHBondContact O-CG1 3.49Å; Q171-I175 PolarHBondContact O-N 3.38Å |
| 172 | D | 95.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 175.9 | -72.6 | -24 | 0 | 0 | 0 | 111.3 | A167 N169 G174 I175 Q176 | A167-D172 HydrophobicContact CB-CB 4.44Å; N169-D172 PolarHBondContact ND2-OD2 3.3Å; N169-D172 PolarHBondContact O-N 3Å; N169-D172 WeakPolarHBondContact OD1-CB 3.35Å; N169-D172 PolarHBondContact OD1-N 3.25Å; D172-G174 PolarHBondContact O-N 3.47Å; D172-I175 PolarHBondContact O-N 2.93Å; D172-Q176 WeakPolarHBondContact O-CG 3.34Å; D172-Q176 PolarHBondContact O-N 2.82Å |
| 173 | L | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 176.5 | -177.4 | 68.5 | 0 | 0 | 0 | 111.5 | L164 A167 N169 E170 Q171 I175 Q176 Y177 Y222 Q226 L229 | L164-L173 HydrophobicContact CD1-CD1 3.67Å; L164-L173 HydrophobicContact CG-CD1 3.94Å; L164-L173 VanDerWaalsContact O-CD1 3.31Å; L164-L173 WeakPolarHBondContact O-CD1 3.38Å; A167-L173 HydrophobicContact CB-CB 3.82Å; A167-L173 HydrophobicContact CB-CD1 3.92Å; A167-L173 HydrophobicContact CB-CG 4.49Å; N169-L173 WeakPolarHBondContact O-CB 3.5Å; N169-L173 PolarHBondContact O-N 3.07Å; E170-L173 PolarHBondContact O-N 3.01Å; Q171-L173 VanDerWaalsContact C-N 3.32Å; Q171-L173 PolarHBondContact O-N 3.03Å; L173-I175 PolarHBondContact O-N 3.45Å; L173-Q176 PolarHBondContact O-N 2.71Å; L173-Y177 WeakPolarHBondContact O-CB 3.36Å; L173-Y177 PolarHBondContact O-N 3.43Å; L173-Y222 HydrophobicContact CD1-CD2 4.2Å; L173-Y222 HydrophobicContact CD2-CD2 4.02Å; L173-Y222 HydrophobicContact CD2-CE2 3.96Å; L173-Y222 HydrophobicContact CG-CD2 3.72Å; L173-Y222 HydrophobicContact CG-CE2 3.73Å; L173-Q226 HydrophobicContact CD2-CB 3.68Å; L173-Q226 HydrophobicContact CD2-CG 4.41Å; L173-L229 HydrophobicContact CB-CD1 4.28Å; L173-L229 HydrophobicContact CD2-CD1 4.1Å |
| 174 | G | 95.4 | Very high | 96 | Very high | 25 Ų | 25 | 59 Ų | 59 | 26% | 0.258 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E170 Q171 D172 K178 | E170-G174 PolarHBondContact O-N 3.39Å; Q171-G174 PolarHBondContact O-N 3.13Å; D172-G174 PolarHBondContact O-N 3.47Å; G174-K178 VanDerWaalsContact O-CB 3.3Å; G174-K178 WeakPolarHBondContact O-CB 3.45Å; G174-K178 PolarHBondContact O-N 3.45Å |
| 175 | I | 97.1 | Very high | 95.9 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 45% | 0.451 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 175.4 | -68.4 | 164.8 | 0 | 0 | 0 | 110.7 | Q171 D172 L173 K178 A179 | Q171-I175 HydrophobicContact CG-CD1 4.14Å; Q171-I175 VanDerWaalsContact O-CG1 3.28Å; Q171-I175 WeakPolarHBondContact O-CG1 3.49Å; Q171-I175 PolarHBondContact O-N 3.38Å; D172-I175 PolarHBondContact O-N 2.93Å; L173-I175 PolarHBondContact O-N 3.45Å; I175-K178 PolarHBondContact O-N 3.17Å; I175-A179 WeakPolarHBondContact O-CB 3.38Å; I175-A179 PolarHBondContact O-N 3.22Å |
| 176 | Q | 97.5 | Very high | 95.9 | Very high | 57 Ų | 57 | 64 Ų | 64 | 27% | 0.266 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 179.3 | -65.7 | -48.5 | -49.2 | 0 | 0 | 111.4 | K163 L164 D172 L173 A179 L180 | K163-Q176 HydrophobicContact CB-CG 4.26Å; L164-Q176 HydrophobicContact CD1-CB 3.98Å; D172-Q176 WeakPolarHBondContact O-CG 3.34Å; D172-Q176 PolarHBondContact O-N 2.82Å; L173-Q176 PolarHBondContact O-N 2.71Å; Q176-A179 PolarHBondContact O-N 3.48Å; Q176-L180 WeakPolarHBondContact O-CB 3.41Å; Q176-L180 PolarHBondContact O-N 2.94Å |
| 177 | Y | 97 | Very high | 96 | Very high | 53 Ų | 53 | 59.5 Ų | 59.5 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 178.7 | -174.2 | -108.6 | 0 | 0 | 0 | 112.3 | L164 L173 A179 L180 K181 V218 Y222 | L164-Y177 HydrophobicContact CD1-CD2 4.26Å; L164-Y177 HydrophobicContact CD2-CD2 4.35Å; L173-Y177 WeakPolarHBondContact O-CB 3.36Å; L173-Y177 PolarHBondContact O-N 3.43Å; Y177-A179 VanDerWaalsContact C-N 3.27Å; Y177-A179 PolarHBondContact O-N 3.02Å; Y177-L180 PolarHBondContact O-N 3.47Å; Y177-K181 WeakPolarHBondContact O-CB 3.29Å; Y177-K181 PolarHBondContact O-N 3.06Å; Y177-V218 HydrophobicContact CE2-CG1 3.99Å; Y177-Y222 HydrophobicContact CD1-CD2 4.24Å; Y177-Y222 HydrophobicContact CD1-CE2 4.49Å; Y177-Y222 HydrophobicContact CD1-CG 4.41Å; Y177-Y222 AromaticContact CD2-CD2 3.97Å; Y177-Y222 HydrophobicContact CD2-CD2 3.97Å; Y177-Y222 AromaticContact CD2-CG 3.94Å; Y177-Y222 HydrophobicContact CD2-CG 3.94Å; Y177-Y222 HydrophobicContact CE2-CG 4.32Å; Y177-Y222 AromaticContact CG-CD2 3.67Å; Y177-Y222 HydrophobicContact CG-CD2 3.67Å; Y177-Y222 HydrophobicContact CG-CE2 4.23Å; Y177-Y222 AromaticContact CG-CG 3.98Å; Y177-Y222 HydrophobicContact CG-CG 3.98Å |
| 178 | K | 97.1 | Very high | 95.9 | Very high | 172 Ų | 172 | 60.5 Ų | 60.5 | 75% | 0.748 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.2 | -33.7 | 178.6 | -168.5 | 173.8 | -176.4 | 176.9 | 0 | 112.3 | G174 I175 P182 | G174-K178 VanDerWaalsContact O-CB 3.3Å; G174-K178 WeakPolarHBondContact O-CB 3.45Å; G174-K178 PolarHBondContact O-N 3.45Å; I175-K178 PolarHBondContact O-N 3.17Å; K178-P182 VanDerWaalsContact O-CD 3.28Å; K178-P182 WeakPolarHBondContact O-CD 3.43Å |
| 179 | A | 96.4 | Very high | 96 | Very high | 57 Ų | 57 | 63.4 Ų | 63.4 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -76.2 | -37.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I175 Q176 Y177 P182 | I175-A179 WeakPolarHBondContact O-CB 3.38Å; I175-A179 PolarHBondContact O-N 3.22Å; Q176-A179 PolarHBondContact O-N 3.48Å; Y177-A179 VanDerWaalsContact C-N 3.27Å; Y177-A179 PolarHBondContact O-N 3.02Å; A179-P182 WeakPolarHBondContact O-CD 3.38Å; A179-P182 WeakPolarHBondContact O-CG 3.32Å |
| 180 | L | 97.2 | Very high | 96 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.3 | -40 | -176.8 | 176.8 | 59.2 | 0 | 0 | 0 | 112.9 | V157 I161 L164 Q176 Y177 E183 V184 V218 | V157-L180 HydrophobicContact CG1-CD1 4.37Å; I161-L180 HydrophobicContact CG1-CD2 4.02Å; L164-L180 HydrophobicContact CB-CD2 4.35Å; L164-L180 HydrophobicContact CD2-CD2 4.15Å; Q176-L180 WeakPolarHBondContact O-CB 3.41Å; Q176-L180 PolarHBondContact O-N 2.94Å; Y177-L180 PolarHBondContact O-N 3.47Å; L180-E183 WeakPolarHBondContact O-CB 3.38Å; L180-E183 PolarHBondContact O-N 2.88Å; L180-V184 HydrophobicContact CD1-CG2 3.72Å; L180-V184 HydrophobicContact CG-CG2 3.84Å; L180-V184 WeakPolarHBondContact O-CG2 3.25Å; L180-V184 PolarHBondContact O-N 3.13Å; L180-V218 HydrophobicContact CD2-CG1 4.22Å |
| 181 | K | 95.6 | Very high | 96 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 27% | 0.265 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -51.6 | -50.3 | -174.8 | -172 | 68.5 | -178.4 | 75.8 | 0 | 114.3 | Y177 E183 V184 D185 | Y177-K181 WeakPolarHBondContact O-CB 3.29Å; Y177-K181 PolarHBondContact O-N 3.06Å; K181-E183 VanDerWaalsContact C-N 3.3Å; K181-E183 PolarHBondContact O-N 3.38Å; K181-V184 PolarHBondContact O-N 3.41Å; K181-D185 IonicContact NZ-OD1 3.57Å; K181-D185 PolarHBondContact NZ-OD1 3.46Å; K181-D185 IonicContact NZ-OD2 3.89Å; K181-D185 PolarHBondContact NZ-OD2 2.96Å; K181-D185 PolarHBondContact O-N 3.24Å; K181-D185 VanDerWaalsContact O-N 3.08Å |
| 182 | P | 97.1 | Very high | 95.9 | Very high | 69 Ų | 69 | 52.9 Ų | 52.9 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.2 | -32.4 | 177.6 | 25.7 | -35.3 | 0 | 0 | 0 | 113 | K178 A179 D185 K186 | K178-P182 VanDerWaalsContact O-CD 3.28Å; K178-P182 WeakPolarHBondContact O-CD 3.43Å; A179-P182 WeakPolarHBondContact O-CD 3.38Å; A179-P182 WeakPolarHBondContact O-CG 3.32Å; P182-D185 PolarHBondContact O-N 3.47Å; P182-K186 WeakPolarHBondContact O-CB 3.39Å; P182-K186 PolarHBondContact O-N 3.1Å |
| 183 | E | 97.6 | Very high | 95.6 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.9 | -35.5 | 177.7 | -59.5 | -59.7 | 154 | 0 | 0 | 111.9 | Q153 V156 V157 L180 K181 L187 | Q153-E183 PolarHBondContact NE2-O 2.9Å; Q153-E183 PolarHBondContact NE2-OE2 2.94Å; V156-E183 HydrophobicContact CG1-CB 4.17Å; V156-E183 HydrophobicContact CG1-CG 3.96Å; V157-E183 HydrophobicContact CG2-CB 4.13Å; V157-E183 WeakPolarHBondContact CG2-O 3.46Å; L180-E183 WeakPolarHBondContact O-CB 3.38Å; L180-E183 PolarHBondContact O-N 2.88Å; K181-E183 VanDerWaalsContact C-N 3.3Å; K181-E183 PolarHBondContact O-N 3.38Å; E183-L187 WeakPolarHBondContact O-CB 3.28Å; E183-L187 PolarHBondContact O-N 3.19Å |
| 184 | V | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 172.5 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | V157 L180 K181 K186 L187 N188 L214 V218 | V157-V184 HydrophobicContact CG1-CG2 3.84Å; V157-V184 HydrophobicContact CG2-CG2 4.18Å; L180-V184 HydrophobicContact CD1-CG2 3.72Å; L180-V184 HydrophobicContact CG-CG2 3.84Å; L180-V184 WeakPolarHBondContact O-CG2 3.25Å; L180-V184 PolarHBondContact O-N 3.13Å; K181-V184 PolarHBondContact O-N 3.41Å; V184-K186 VanDerWaalsContact C-N 3.34Å; V184-K186 PolarHBondContact O-N 2.68Å; V184-L187 PolarHBondContact O-N 2.89Å; V184-N188 WeakPolarHBondContact O-CB 3.41Å; V184-N188 PolarHBondContact O-N 3.49Å; V184-L214 HydrophobicContact CG1-CG 4.4Å; V184-V218 HydrophobicContact CG1-CG2 4.43Å; V184-V218 HydrophobicContact CG2-CG1 4.36Å; V184-V218 HydrophobicContact CG2-CG2 4.09Å |
| 185 | D | 95.1 | Very high | 95 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 178.6 | -68.2 | -33 | 0 | 0 | 0 | 111.5 | K181 P182 N188 I189 Q215 | K181-D185 IonicContact NZ-OD1 3.57Å; K181-D185 PolarHBondContact NZ-OD1 3.46Å; K181-D185 IonicContact NZ-OD2 3.89Å; K181-D185 PolarHBondContact NZ-OD2 2.96Å; K181-D185 PolarHBondContact O-N 3.24Å; K181-D185 VanDerWaalsContact O-N 3.08Å; P182-D185 PolarHBondContact O-N 3.47Å; D185-N188 WeakPolarHBondContact O-CB 3.35Å; D185-N188 PolarHBondContact O-N 3.37Å; D185-I189 WeakPolarHBondContact O-CG1 3.47Å; D185-I189 PolarHBondContact O-N 3.48Å; D185-I189 VanDerWaalsContact O-N 3.08Å; D185-Q215 PolarHBondContact OD1-NE2 2.98Å |
| 186 | K | 96.3 | Very high | 94.5 | Very high | 106 Ų | 106 | 57.5 Ų | 57.5 | 46% | 0.461 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 173.7 | -174.7 | 178.5 | 171.6 | -152.1 | 0 | 112 | Q153 P182 V184 N188 I189 M190 | Q153-K186 HydrophobicContact CG-CG 4.41Å; Q153-K186 VanDerWaalsContact OE1-CE 3.31Å; P182-K186 WeakPolarHBondContact O-CB 3.39Å; P182-K186 PolarHBondContact O-N 3.1Å; V184-K186 VanDerWaalsContact C-N 3.34Å; V184-K186 PolarHBondContact O-N 2.68Å; K186-N188 VanDerWaalsContact C-N 3.3Å; K186-N188 PolarHBondContact O-N 3.42Å; K186-I189 PolarHBondContact O-N 2.87Å; K186-M190 HydrophobicContact CG-SD 4.35Å; K186-M190 WeakPolarHBondContact O-CG 3.45Å; K186-M190 PolarHBondContact O-N 3.29Å; K186-M190 VanDerWaalsContact O-N 3.17Å |
| 187 | L | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 174.5 | 176.3 | 60.7 | 0 | 0 | 0 | 111.4 | L150 Q153 L154 V157 E183 V184 I189 M190 A191 L214 | L150-L187 HydrophobicContact CD1-CD1 3.52Å; Q153-L187 HydrophobicContact CB-CD1 4.41Å; Q153-L187 HydrophobicContact CG-CB 3.9Å; Q153-L187 HydrophobicContact CG-CD1 4.25Å; L154-L187 HydrophobicContact CB-CD1 4.1Å; L154-L187 HydrophobicContact CD1-CD1 3.91Å; L154-L187 HydrophobicContact CD1-CD2 3.56Å; L154-L187 HydrophobicContact CD1-CG 4.33Å; V157-L187 HydrophobicContact CB-CD2 3.85Å; V157-L187 HydrophobicContact CG1-CD2 3.96Å; V157-L187 HydrophobicContact CG2-CB 3.98Å; V157-L187 HydrophobicContact CG2-CD2 3.75Å; E183-L187 WeakPolarHBondContact O-CB 3.28Å; E183-L187 PolarHBondContact O-N 3.19Å; V184-L187 PolarHBondContact O-N 2.89Å; L187-I189 VanDerWaalsContact C-N 3.33Å; L187-I189 PolarHBondContact O-N 3.49Å; L187-M190 PolarHBondContact O-N 3Å; L187-A191 VanDerWaalsContact O-CB 3.29Å; L187-A191 WeakPolarHBondContact O-CB 3.48Å; L187-A191 PolarHBondContact O-N 2.9Å; L187-L214 HydrophobicContact CD2-CD2 3.59Å; L187-L214 HydrophobicContact CG-CD2 4.42Å |
| 188 | N | 93.8 | Very high | 93.2 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 19% | 0.193 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | -178.9 | -177.7 | 39.6 | 0 | 0 | 0 | 112.1 | V184 D185 K186 A192 R211 | V184-N188 WeakPolarHBondContact O-CB 3.41Å; V184-N188 PolarHBondContact O-N 3.49Å; D185-N188 WeakPolarHBondContact O-CB 3.35Å; D185-N188 PolarHBondContact O-N 3.37Å; K186-N188 VanDerWaalsContact C-N 3.3Å; K186-N188 PolarHBondContact O-N 3.42Å; N188-A192 VanDerWaalsContact O-CB 3.28Å; N188-A192 WeakPolarHBondContact O-CB 3.44Å; N188-A192 PolarHBondContact O-N 3.3Å; N188-R211 PolarHBondContact O-NE 3.29Å; N188-R211 VanDerWaalsContact OD1-CZ 3.32Å; N188-R211 PolarHBondContact OD1-NE 2.9Å; N188-R211 PolarHBondContact OD1-NH2 2.83Å |
| 189 | I | 94.9 | Very high | 92.4 | Very high | 120 Ų | 120 | 48.7 Ų | 48.7 | 62% | 0.615 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.9 | -46.8 | 175.9 | -66.5 | 164.7 | 0 | 0 | 0 | 110.8 | D185 K186 L187 A191 A192 K193 | D185-I189 WeakPolarHBondContact O-CG1 3.47Å; D185-I189 PolarHBondContact O-N 3.48Å; D185-I189 VanDerWaalsContact O-N 3.08Å; K186-I189 PolarHBondContact O-N 2.87Å; L187-I189 VanDerWaalsContact C-N 3.33Å; L187-I189 PolarHBondContact O-N 3.49Å; I189-A191 PolarHBondContact O-N 3.43Å; I189-A192 WeakPolarHBondContact O-CB 3.17Å; I189-A192 PolarHBondContact O-N 3.3Å; I189-K193 PolarHBondContact O-N 3.45Å |
| 190 | M | 94.3 | Very high | 91.3 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -42.2 | 179.6 | -64.1 | 174.9 | 74 | 0 | 0 | 111.7 | K149 L150 Q153 K186 L187 K193 R194 | K149-M190 VanDerWaalsContact C-CE 3.5Å; K149-M190 HydrophobicContact CB-CE 3.8Å; L150-M190 HydrophobicContact CB-CE 4.14Å; L150-M190 HydrophobicContact CD1-CB 3.66Å; Q153-M190 HydrophobicContact CB-SD 3.94Å; Q153-M190 HydrophobicContact CG-SD 3.99Å; K186-M190 HydrophobicContact CG-SD 4.35Å; K186-M190 WeakPolarHBondContact O-CG 3.45Å; K186-M190 PolarHBondContact O-N 3.29Å; K186-M190 VanDerWaalsContact O-N 3.17Å; L187-M190 PolarHBondContact O-N 3Å; M190-K193 PolarHBondContact O-N 3.21Å; M190-R194 PolarHBondContact O-N 3.33Å |
| 191 | A | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.6 | -36.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L150 L187 I189 R194 Q195 M207 R211 I255 | L150-A191 HydrophobicContact CD1-CB 4.31Å; L187-A191 VanDerWaalsContact O-CB 3.29Å; L187-A191 WeakPolarHBondContact O-CB 3.48Å; L187-A191 PolarHBondContact O-N 2.9Å; I189-A191 PolarHBondContact O-N 3.43Å; A191-R194 PolarHBondContact O-N 3.03Å; A191-Q195 WeakPolarHBondContact O-CB 3.47Å; A191-Q195 PolarHBondContact O-N 3.4Å; A191-M207 HydrophobicContact CB-SD 3.91Å; A191-R211 HydrophobicContact CB-CG 3.75Å; A191-I255 HydrophobicContact CB-CG2 4.24Å |
| 192 | A | 91.6 | Very high | 89 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 20% | 0.198 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N188 I189 R194 Q195 Q196 R211 | N188-A192 VanDerWaalsContact O-CB 3.28Å; N188-A192 WeakPolarHBondContact O-CB 3.44Å; N188-A192 PolarHBondContact O-N 3.3Å; I189-A192 WeakPolarHBondContact O-CB 3.17Å; I189-A192 PolarHBondContact O-N 3.3Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 3.05Å; A192-Q195 WeakPolarHBondContact O-CB 3.43Å; A192-Q195 PolarHBondContact O-N 2.87Å; A192-Q196 PolarHBondContact O-N 2.99Å; A192-R211 VanDerWaalsContact CB-CZ 3.5Å |
| 193 | K | 89.8 | Confident | 88.3 | Confident | 104 Ų | 104 | 48 Ų | 48 | 45% | 0.452 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.8 | -49.6 | 173.8 | -173.1 | -168.8 | 176.3 | -155.3 | 0 | 109.7 | D146 I189 M190 Q195 Q196 E197 | D146-K193 IonicContact OD2-NZ 2.89Å; D146-K193 PolarHBondContact OD2-NZ 2.88Å; D146-K193 VanDerWaalsContact OD2-NZ 3.15Å; I189-K193 PolarHBondContact O-N 3.45Å; M190-K193 PolarHBondContact O-N 3.21Å; K193-Q195 VanDerWaalsContact C-N 3.33Å; K193-Q195 PolarHBondContact O-N 3.38Å; K193-Q196 PolarHBondContact O-N 3.28Å; K193-Q196 VanDerWaalsContact O-N 3.08Å; K193-E197 WeakPolarHBondContact CE-OE1 2.97Å; K193-E197 IonicContact NZ-OE1 2.81Å; K193-E197 WeakPolarHBondContact O-CG 3.5Å; K193-E197 PolarHBondContact O-N 3.27Å |
| 194 | R | 90.3 | Very high | 87.5 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 178.9 | -172.5 | 62.8 | -175.6 | 172.8 | 10.8 | 112.5 | W13 D143 V147 L150 M190 A191 A192 Q196 E197 L198 M207 A259 | W13-R194 VanDerWaalsContact CZ2-NH2 3.26Å; D143-R194 IonicContact OD1-CZ 2.85Å; D143-R194 IonicContact OD1-NH1 3.15Å; D143-R194 PolarHBondContact OD1-NH1 3.48Å; D143-R194 IonicContact OD2-NH1 3.72Å; D143-R194 PolarHBondContact OD2-NH1 2.95Å; V147-R194 VanDerWaalsContact CG2-CZ 3.49Å; L150-R194 HydrophobicContact CD2-CB 4.06Å; L150-R194 HydrophobicContact CD2-CG 4.14Å; M190-R194 PolarHBondContact O-N 3.33Å; A191-R194 PolarHBondContact O-N 3.03Å; A192-R194 VanDerWaalsContact C-N 3.33Å; A192-R194 PolarHBondContact O-N 3.05Å; R194-Q196 PolarHBondContact O-N 3.41Å; R194-E197 IonicContact NH1-OE2 3.35Å; R194-E197 WeakPolarHBondContact O-CB 3.22Å; R194-E197 PolarHBondContact O-N 3.49Å; R194-L198 WeakPolarHBondContact O-CG 3.41Å; R194-L198 PolarHBondContact O-N 3.29Å; R194-M207 HydrophobicContact CG-CE 4.33Å; R194-A259 HydrophobicContact CG-CB 4.34Å; R194-A259 PolarHBondContact NE-O 3.33Å; R194-A259 VanDerWaalsContact NE-O 3.1Å; R194-A259 PolarHBondContact NH2-O 3.07Å |
| 195 | Q | 88.9 | Confident | 86.6 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.3 | -35.1 | 175.9 | -173.4 | -176.9 | -32.5 | 0 | 0 | 112.8 | A191 A192 K193 E197 R204 M207 | A191-Q195 WeakPolarHBondContact O-CB 3.47Å; A191-Q195 PolarHBondContact O-N 3.4Å; A192-Q195 WeakPolarHBondContact O-CB 3.43Å; A192-Q195 PolarHBondContact O-N 2.87Å; K193-Q195 VanDerWaalsContact C-N 3.33Å; K193-Q195 PolarHBondContact O-N 3.38Å; Q195-E197 VanDerWaalsContact C-N 3.3Å; Q195-R204 HydrophobicContact CG-CB 4.24Å; Q195-R204 VanDerWaalsContact CG-O 3.31Å; Q195-R204 WeakPolarHBondContact CG-O 3.22Å; Q195-R204 VanDerWaalsContact O-CG 3.31Å; Q195-R204 WeakPolarHBondContact O-CG 3.47Å; Q195-R204 PolarHBondContact O-NE 2.9Å; Q195-M207 HydrophobicContact CB-CB 4.26Å; Q195-M207 HydrophobicContact CB-CG 3.72Å; Q195-M207 HydrophobicContact CG-CB 4.15Å; Q195-M207 HydrophobicContact CG-CG 4.12Å |
| 196 | Q | 85.4 | Confident | 86 | Confident | 136 Ų | 136 | 53.6 Ų | 53.6 | 64% | 0.636 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -77 | -20.4 | 177.8 | -65.2 | 178.9 | -2.5 | 0 | 0 | 112.8 | A192 K193 R194 | A192-Q196 PolarHBondContact O-N 2.99Å; K193-Q196 PolarHBondContact O-N 3.28Å; K193-Q196 VanDerWaalsContact O-N 3.08Å; R194-Q196 PolarHBondContact O-N 3.41Å |
| 197 | E | 85.3 | Confident | 85.7 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -92.4 | -21.8 | -176.7 | -64.8 | 171.6 | 167.1 | 0 | 0 | 113.1 | T22 L23 A24 K193 R194 Q195 | T22-E197 WeakPolarHBondContact CA-O 3.4Å; T22-E197 HydrophobicContact CG2-CB 4.04Å; L23-E197 PolarHBondContact N-O 2.98Å; A24-E197 HydrophobicContact CB-CG 4.03Å; K193-E197 WeakPolarHBondContact CE-OE1 2.97Å; K193-E197 IonicContact NZ-OE1 2.81Å; K193-E197 WeakPolarHBondContact O-CG 3.5Å; K193-E197 PolarHBondContact O-N 3.27Å; R194-E197 IonicContact NH1-OE2 3.35Å; R194-E197 WeakPolarHBondContact O-CB 3.22Å; R194-E197 PolarHBondContact O-N 3.49Å; Q195-E197 VanDerWaalsContact C-N 3.3Å |
| 198 | L | 83.4 | Confident | 85.3 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 133.7 | 175.6 | -69.3 | 172.7 | 0 | 0 | 0 | 110.6 | R194 H203 R204 M207 A258 | R194-L198 WeakPolarHBondContact O-CG 3.41Å; R194-L198 PolarHBondContact O-N 3.29Å; L198-H203 HydrophobicContact CD1-CB 4.01Å; L198-R204 HydrophobicContact CB-CG 3.8Å; L198-R204 WeakPolarHBondContact O-CD 3.3Å; L198-M207 HydrophobicContact CD1-CB 4.38Å; L198-A258 WeakPolarHBondContact CD2-O 3.44Å |
| 199 | K | 79.3 | Confident | 84.9 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -77.7 | -44.2 | -179.5 | -69.2 | 178.6 | 167.2 | -170.9 | 0 | 112.4 | I20 L23 E26 A263 | I20-K199 PolarHBondContact O-NZ 2.91Å; L23-K199 HydrophobicContact CD2-CG 4.13Å; L23-K199 HydrophobicContact CG-CG 4.1Å; E26-K199 VanDerWaalsContact CD-CE 3.41Å; E26-K199 WeakPolarHBondContact OE1-CE 3.43Å; E26-K199 IonicContact OE1-NZ 3.25Å; E26-K199 PolarHBondContact OE1-NZ 3.49Å; E26-K199 WeakPolarHBondContact OE2-CE 3.43Å; E26-K199 IonicContact OE2-NZ 2.94Å; K199-A263 HydrophobicContact CD-CB 3.89Å |
| 200 | D | 74.2 | Confident | 84.7 | Confident | 72 Ų | 72 | 44 Ų | 44 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | trans | -77.8 | 124.4 | -178.1 | 174.6 | -107 | 0 | 0 | 0 | 111.4 | G202 H203 R204 | D200-G202 VanDerWaalsContact C-N 3.26Å; D200-G202 PolarHBondContact O-N 3.39Å; D200-G202 WeakPolarHBondContact OD1-CA 3.28Å; D200-G202 PolarHBondContact OD1-N 2.98Å; D200-H203 PolarHBondContact O-N 2.9Å; D200-H203 IonicContact OD1-CD2 3.15Å; D200-H203 PolarHBondContact OD1-CD2 3.28Å; D200-H203 IonicContact OD1-CG 3.95Å; D200-H203 PolarHBondContact OD1-N 3.15Å; D200-H203 IonicContact OD1-NE2 2.98Å; D200-R204 VanDerWaalsContact O-CG 3.32Å; D200-R204 WeakPolarHBondContact O-CG 3.31Å; D200-R204 PolarHBondContact O-N 2.88Å | ||
| 201 | V | 71.1 | Confident | 84.7 | Confident | 57 Ų | 57 | 44 Ų | 44 | 35% | 0.345 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.1 | -34.2 | 179.5 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | H203 R204 D205 K448 | V201-H203 PolarHBondContact O-N 3Å; V201-R204 WeakPolarHBondContact O-CB 3.38Å; V201-R204 PolarHBondContact O-N 3.41Å; V201-R204 VanDerWaalsContact O-N 3.15Å; V201-D205 PolarHBondContact O-N 3.38Å; V201-D205 VanDerWaalsContact O-N 3.17Å; V201-K448 PolarHBondContact O-NZ 2.74Å; V201-K448 VanDerWaalsContact O-NZ 3.15Å |
| 202 | G | 73.3 | Confident | 84.5 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -40.4 | -64.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D200 R204 D205 Q206 K448 | D200-G202 VanDerWaalsContact C-N 3.26Å; D200-G202 PolarHBondContact O-N 3.39Å; D200-G202 WeakPolarHBondContact OD1-CA 3.28Å; D200-G202 PolarHBondContact OD1-N 2.98Å; G202-R204 PolarHBondContact O-N 3.06Å; G202-D205 PolarHBondContact O-N 3.49Å; G202-Q206 WeakPolarHBondContact O-CG 3.48Å; G202-Q206 PolarHBondContact O-N 3.42Å; G202-Q206 VanDerWaalsContact O-N 3.16Å; G202-K448 PolarHBondContact O-NZ 3.25Å |
| 203 | H | 81.2 | Confident | 84.4 | Confident | 32 Ų | 32 | 47 Ų | 47 | 15% | 0.148 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69 | -28.3 | -178.5 | -61.5 | -46.5 | 0 | 0 | 0 | 113.8 | L198 D200 V201 D205 Q206 M207 A261 | L198-H203 HydrophobicContact CD1-CB 4.01Å; D200-H203 PolarHBondContact O-N 2.9Å; D200-H203 IonicContact OD1-CD2 3.15Å; D200-H203 PolarHBondContact OD1-CD2 3.28Å; D200-H203 IonicContact OD1-CG 3.95Å; D200-H203 PolarHBondContact OD1-N 3.15Å; D200-H203 IonicContact OD1-NE2 2.98Å; V201-H203 PolarHBondContact O-N 3Å; H203-D205 VanDerWaalsContact C-N 3.34Å; H203-Q206 PolarHBondContact ND1-OE1 3.43Å; H203-Q206 PolarHBondContact O-N 3.49Å; H203-M207 VanDerWaalsContact O-CB 3.32Å; H203-M207 WeakPolarHBondContact O-CB 3.48Å; H203-M207 PolarHBondContact O-N 2.92Å; H203-A261 HydrophobicContact CB-CB 4.2Å; H203-A261 WeakPolarHBondContact CD2-CB 3.2Å |
| 204 | R | 81.6 | Confident | 84.6 | Confident | 91 Ų | 91 | 42.2 Ų | 42.2 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 174.7 | -68 | 177 | 69.1 | -153.8 | -7.1 | 111.2 | Q195 L198 D200 V201 G202 M207 A208 | Q195-R204 HydrophobicContact CG-CB 4.24Å; Q195-R204 VanDerWaalsContact CG-O 3.31Å; Q195-R204 WeakPolarHBondContact CG-O 3.22Å; Q195-R204 VanDerWaalsContact O-CG 3.31Å; Q195-R204 WeakPolarHBondContact O-CG 3.47Å; Q195-R204 PolarHBondContact O-NE 2.9Å; L198-R204 HydrophobicContact CB-CG 3.8Å; L198-R204 WeakPolarHBondContact O-CD 3.3Å; D200-R204 VanDerWaalsContact O-CG 3.32Å; D200-R204 WeakPolarHBondContact O-CG 3.31Å; D200-R204 PolarHBondContact O-N 2.88Å; V201-R204 WeakPolarHBondContact O-CB 3.38Å; V201-R204 PolarHBondContact O-N 3.41Å; V201-R204 VanDerWaalsContact O-N 3.15Å; G202-R204 PolarHBondContact O-N 3.06Å; R204-M207 WeakPolarHBondContact O-CB 3.28Å; R204-M207 PolarHBondContact O-N 3.46Å; R204-A208 PolarHBondContact O-N 3.35Å |
| 205 | D | 77.6 | Confident | 84.7 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -78.9 | -33.6 | 180 | -52 | -37.8 | 0 | 0 | 0 | 112.1 | V201 G202 H203 M207 A208 A209 K448 | V201-D205 PolarHBondContact O-N 3.38Å; V201-D205 VanDerWaalsContact O-N 3.17Å; G202-D205 PolarHBondContact O-N 3.49Å; H203-D205 VanDerWaalsContact C-N 3.34Å; D205-M207 PolarHBondContact O-N 2.92Å; D205-A208 WeakPolarHBondContact O-CB 3.24Å; D205-A208 PolarHBondContact O-N 3.04Å; D205-A208 VanDerWaalsContact O-N 3.11Å; D205-A209 VanDerWaalsContact O-CB 3.31Å; D205-A209 WeakPolarHBondContact O-CB 3.38Å; D205-A209 PolarHBondContact O-N 3.3Å; D205-K448 VanDerWaalsContact CB-NZ 3.34Å; D205-K448 IonicContact OD2-NZ 3.42Å; D205-K448 PolarHBondContact OD2-NZ 3.45Å |
| 206 | Q | 83.8 | Confident | 84.7 | Confident | 101 Ų | 101 | 47 Ų | 47 | 47% | 0.472 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.4 | -43.2 | 169.9 | -71.9 | 173.9 | -3.1 | 0 | 0 | 111.1 | G202 H203 A210 A258 | G202-Q206 WeakPolarHBondContact O-CG 3.48Å; G202-Q206 PolarHBondContact O-N 3.42Å; G202-Q206 VanDerWaalsContact O-N 3.16Å; H203-Q206 PolarHBondContact ND1-OE1 3.43Å; H203-Q206 PolarHBondContact O-N 3.49Å; Q206-A210 VanDerWaalsContact O-CB 3.32Å; Q206-A210 WeakPolarHBondContact O-CB 3.4Å; Q206-A210 PolarHBondContact O-N 3.25Å; Q206-A258 HydrophobicContact CB-CB 4.37Å |
| 207 | M | 89.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 173.9 | -177.3 | 63.1 | 76.9 | 0 | 0 | 111.4 | A191 R194 Q195 L198 H203 R204 D205 A209 A210 R211 I255 A258 A259 | A191-M207 HydrophobicContact CB-SD 3.91Å; R194-M207 HydrophobicContact CG-CE 4.33Å; Q195-M207 HydrophobicContact CB-CB 4.26Å; Q195-M207 HydrophobicContact CB-CG 3.72Å; Q195-M207 HydrophobicContact CG-CB 4.15Å; Q195-M207 HydrophobicContact CG-CG 4.12Å; L198-M207 HydrophobicContact CD1-CB 4.38Å; H203-M207 VanDerWaalsContact O-CB 3.32Å; H203-M207 WeakPolarHBondContact O-CB 3.48Å; H203-M207 PolarHBondContact O-N 2.92Å; R204-M207 WeakPolarHBondContact O-CB 3.28Å; R204-M207 PolarHBondContact O-N 3.46Å; D205-M207 PolarHBondContact O-N 2.92Å; M207-A209 PolarHBondContact O-N 3.16Å; M207-A210 PolarHBondContact O-N 2.86Å; M207-R211 HydrophobicContact CG-CG 4.42Å; M207-R211 WeakPolarHBondContact O-CB 3.44Å; M207-R211 WeakPolarHBondContact O-CD 3.13Å; M207-R211 WeakPolarHBondContact O-CG 3.43Å; M207-R211 PolarHBondContact O-N 2.91Å; M207-R211 HydrophobicContact SD-CG 4.22Å; M207-I255 HydrophobicContact CE-CG2 4.35Å; M207-I255 WeakPolarHBondContact CE-O 3.33Å; M207-I255 HydrophobicContact SD-CB 4.26Å; M207-I255 HydrophobicContact SD-CG1 4.17Å; M207-I255 HydrophobicContact SD-CG2 3.89Å; M207-A258 HydrophobicContact CB-CB 4.07Å; M207-A258 HydrophobicContact CE-CB 3.81Å; M207-A259 HydrophobicContact CE-CB 3.81Å; M207-A259 VanDerWaalsContact CE-N 3.31Å |
| 208 | A | 87 | Confident | 85.6 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R204 D205 R211 G212 | R204-A208 PolarHBondContact O-N 3.35Å; D205-A208 WeakPolarHBondContact O-CB 3.24Å; D205-A208 PolarHBondContact O-N 3.04Å; D205-A208 VanDerWaalsContact O-N 3.11Å; A208-R211 PolarHBondContact O-N 3.48Å; A208-G212 PolarHBondContact O-N 3.41Å |
| 209 | A | 85.1 | Confident | 86 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -51.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D205 M207 R211 G212 I213 M452 | D205-A209 VanDerWaalsContact O-CB 3.31Å; D205-A209 WeakPolarHBondContact O-CB 3.38Å; D205-A209 PolarHBondContact O-N 3.3Å; M207-A209 PolarHBondContact O-N 3.16Å; A209-R211 VanDerWaalsContact C-N 3.32Å; A209-R211 PolarHBondContact O-N 3.47Å; A209-G212 PolarHBondContact O-N 3.44Å; A209-G212 VanDerWaalsContact O-N 3.13Å; A209-I213 WeakPolarHBondContact O-CG1 3.46Å; A209-I213 PolarHBondContact O-N 3.5Å; A209-M452 HydrophobicContact CB-CG 4.33Å; A209-M452 HydrophobicContact CB-SD 3.3Å; A209-M452 WeakPolarHBondContact CB-SD 3.46Å |
| 210 | A | 91.7 | Very high | 86.5 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q206 M207 L214 I255 | Q206-A210 VanDerWaalsContact O-CB 3.32Å; Q206-A210 WeakPolarHBondContact O-CB 3.4Å; Q206-A210 PolarHBondContact O-N 3.25Å; M207-A210 PolarHBondContact O-N 2.86Å; A210-L214 WeakPolarHBondContact O-CB 3.41Å; A210-L214 PolarHBondContact O-N 3.35Å; A210-I255 HydrophobicContact CB-CG1 3.7Å |
| 211 | R | 94.1 | Very high | 87.4 | Confident | 48 Ų | 48 | 35.3 Ų | 35.3 | 18% | 0.181 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 171.8 | -72.3 | 169.9 | 63.2 | -128 | -13.9 | 112.2 | N188 A191 A192 M207 A208 A209 L214 Q215 I255 | N188-R211 PolarHBondContact O-NE 3.29Å; N188-R211 VanDerWaalsContact OD1-CZ 3.32Å; N188-R211 PolarHBondContact OD1-NE 2.9Å; N188-R211 PolarHBondContact OD1-NH2 2.83Å; A191-R211 HydrophobicContact CB-CG 3.75Å; A192-R211 VanDerWaalsContact CB-CZ 3.5Å; M207-R211 HydrophobicContact CG-CG 4.42Å; M207-R211 WeakPolarHBondContact O-CB 3.44Å; M207-R211 WeakPolarHBondContact O-CD 3.13Å; M207-R211 WeakPolarHBondContact O-CG 3.43Å; M207-R211 PolarHBondContact O-N 2.91Å; M207-R211 HydrophobicContact SD-CG 4.22Å; A208-R211 PolarHBondContact O-N 3.48Å; A209-R211 VanDerWaalsContact C-N 3.32Å; A209-R211 PolarHBondContact O-N 3.47Å; R211-L214 PolarHBondContact O-N 2.98Å; R211-Q215 WeakPolarHBondContact O-CB 3.48Å; R211-Q215 PolarHBondContact O-N 2.81Å; R211-I255 HydrophobicContact CG-CD1 4.22Å; R211-I255 HydrophobicContact CG-CG1 4.36Å |
| 212 | G | 89.3 | Confident | 88.4 | Confident | 41 Ų | 41 | 35.2 Ų | 35.2 | 42% | 0.423 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A208 A209 L214 Q215 K216 | A208-G212 PolarHBondContact O-N 3.41Å; A209-G212 PolarHBondContact O-N 3.44Å; A209-G212 VanDerWaalsContact O-N 3.13Å; G212-L214 PolarHBondContact O-N 3.13Å; G212-Q215 PolarHBondContact O-N 3.01Å; G212-K216 VanDerWaalsContact O-CB 3.25Å; G212-K216 WeakPolarHBondContact O-CB 3.33Å; G212-K216 PolarHBondContact O-N 3.34Å |
| 213 | I | 90.5 | Very high | 89.2 | Confident | 48 Ų | 48 | 36.7 Ų | 36.7 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 176.6 | -65.6 | 167 | 0 | 0 | 0 | 110.5 | A209 Q215 K216 N217 A251 | A209-I213 WeakPolarHBondContact O-CG1 3.46Å; A209-I213 PolarHBondContact O-N 3.5Å; I213-Q215 PolarHBondContact O-N 3.4Å; I213-K216 PolarHBondContact O-N 3.35Å; I213-N217 VanDerWaalsContact O-CB 3.28Å; I213-N217 WeakPolarHBondContact O-CB 3.38Å; I213-N217 PolarHBondContact O-N 3.47Å; I213-A251 HydrophobicContact CB-CB 4.02Å; I213-A251 HydrophobicContact CG2-CB 3.77Å |
| 214 | L | 94.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -50.6 | 178.2 | 179.5 | 66.6 | 0 | 0 | 0 | 111.7 | V157 I161 V184 L187 A210 R211 G212 K216 V218 L248 A251 V252 I255 | V157-L214 HydrophobicContact CG1-CD1 4.23Å; I161-L214 HydrophobicContact CD1-CD1 3.81Å; V184-L214 HydrophobicContact CG1-CG 4.4Å; L187-L214 HydrophobicContact CD2-CD2 3.59Å; L187-L214 HydrophobicContact CG-CD2 4.42Å; A210-L214 WeakPolarHBondContact O-CB 3.41Å; A210-L214 PolarHBondContact O-N 3.35Å; R211-L214 PolarHBondContact O-N 2.98Å; G212-L214 PolarHBondContact O-N 3.13Å; L214-K216 VanDerWaalsContact C-N 3.33Å; L214-K216 PolarHBondContact O-N 2.9Å; L214-V218 HydrophobicContact CD1-CG2 4.06Å; L214-V218 VanDerWaalsContact O-CG2 3.3Å; L214-V218 WeakPolarHBondContact O-CG2 3.35Å; L214-V218 PolarHBondContact O-N 3.02Å; L214-L248 HydrophobicContact CD1-CD2 3.78Å; L214-A251 HydrophobicContact CB-CB 4.33Å; L214-V252 HydrophobicContact CD1-CG2 4.08Å; L214-I255 HydrophobicContact CB-CD1 4.42Å; L214-I255 HydrophobicContact CD2-CD1 3.69Å |
| 215 | Q | 92.5 | Very high | 90 | Very high | 59 Ų | 59 | 31 Ų | 31 | 28% | 0.276 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.2 | -38.1 | -176.4 | -161.8 | 70.8 | 4.5 | 0 | 0 | 112.1 | D185 R211 G212 I213 P219 | D185-Q215 PolarHBondContact OD1-NE2 2.98Å; R211-Q215 WeakPolarHBondContact O-CB 3.48Å; R211-Q215 PolarHBondContact O-N 2.81Å; G212-Q215 PolarHBondContact O-N 3.01Å; I213-Q215 PolarHBondContact O-N 3.4Å; Q215-P219 WeakPolarHBondContact O-CD 3.15Å |
| 216 | K | 89 | Confident | 90.7 | Very high | 80 Ų | 80 | 31.1 Ų | 31.1 | 35% | 0.348 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -71.7 | -44.9 | 179.4 | 177 | -179.2 | 163.6 | -177.2 | 0 | 112.3 | G212 I213 L214 P219 I220 Q490 | G212-K216 VanDerWaalsContact O-CB 3.25Å; G212-K216 WeakPolarHBondContact O-CB 3.33Å; G212-K216 PolarHBondContact O-N 3.34Å; I213-K216 PolarHBondContact O-N 3.35Å; L214-K216 VanDerWaalsContact C-N 3.33Å; L214-K216 PolarHBondContact O-N 2.9Å; K216-P219 WeakPolarHBondContact O-CD 3.48Å; K216-I220 HydrophobicContact CG-CD1 4.09Å; K216-I220 WeakPolarHBondContact O-CD1 3.32Å; K216-I220 WeakPolarHBondContact O-CG1 3.48Å; K216-Q490 VanDerWaalsContact NZ-NE2 3.12Å |
| 217 | N | 92.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -86.3 | -18 | -168.6 | -73.5 | -0.7 | 0 | 0 | 0 | 114 | I213 I220 L221 I244 Q247 L248 | I213-N217 VanDerWaalsContact O-CB 3.28Å; I213-N217 WeakPolarHBondContact O-CB 3.38Å; I213-N217 PolarHBondContact O-N 3.47Å; N217-I220 PolarHBondContact O-N 2.88Å; N217-L221 WeakPolarHBondContact O-CB 3.34Å; N217-L221 PolarHBondContact O-N 3.08Å; N217-I244 HydrophobicContact CB-CG2 4.07Å; N217-Q247 PolarHBondContact ND2-OE1 3.24Å; N217-L248 HydrophobicContact CB-CD1 4.19Å; N217-L248 HydrophobicContact CB-CD2 3.61Å; N217-L248 HydrophobicContact CB-CG 3.72Å |
| 218 | V | 95.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -48.1 | 177 | 164.3 | 0 | 0 | 0 | 0 | 112.2 | I161 Y177 L180 V184 L214 I220 L221 Y222 L248 | I161-V218 HydrophobicContact CD1-CG2 4.49Å; I161-V218 HydrophobicContact CG1-CG2 4.48Å; Y177-V218 HydrophobicContact CE2-CG1 3.99Å; L180-V218 HydrophobicContact CD2-CG1 4.22Å; V184-V218 HydrophobicContact CG1-CG2 4.43Å; V184-V218 HydrophobicContact CG2-CG1 4.36Å; V184-V218 HydrophobicContact CG2-CG2 4.09Å; L214-V218 HydrophobicContact CD1-CG2 4.06Å; L214-V218 VanDerWaalsContact O-CG2 3.3Å; L214-V218 WeakPolarHBondContact O-CG2 3.35Å; L214-V218 PolarHBondContact O-N 3.02Å; V218-I220 PolarHBondContact O-N 3.2Å; V218-L221 PolarHBondContact O-N 2.96Å; V218-Y222 PolarHBondContact O-N 3.18Å; V218-L248 HydrophobicContact CG2-CD2 3.79Å |
| 219 | P | 92 | Very high | 90.9 | Very high | 45 Ų | 45 | 27.6 Ų | 27.6 | 29% | 0.292 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.4 | -39 | 171.8 | -24.1 | 33.7 | 0 | 0 | 0 | 113.6 | Q215 K216 L221 Y222 T223 | Q215-P219 WeakPolarHBondContact O-CD 3.15Å; K216-P219 WeakPolarHBondContact O-CD 3.48Å; P219-L221 VanDerWaalsContact C-N 3.33Å; P219-L221 PolarHBondContact O-N 3.32Å; P219-Y222 WeakPolarHBondContact O-CB 3.43Å; P219-Y222 PolarHBondContact O-N 3.22Å; P219-T223 PolarHBondContact O-N 3.4Å; P219-T223 VanDerWaalsContact O-N 3.16Å |
| 220 | I | 89.9 | Confident | 91 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 5% | 0.051 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.6 | -35.9 | 179.8 | -54.8 | 173.2 | 0 | 0 | 0 | 110.7 | K216 N217 V218 Y222 T223 A224 I244 F487 | K216-I220 HydrophobicContact CG-CD1 4.09Å; K216-I220 WeakPolarHBondContact O-CD1 3.32Å; K216-I220 WeakPolarHBondContact O-CG1 3.48Å; N217-I220 PolarHBondContact O-N 2.88Å; V218-I220 PolarHBondContact O-N 3.2Å; I220-Y222 VanDerWaalsContact C-N 3.28Å; I220-Y222 PolarHBondContact O-N 3.36Å; I220-T223 PolarHBondContact O-N 3.24Å; I220-T223 PolarHBondContact O-OG1 3.14Å; I220-A224 VanDerWaalsContact O-CB 3.23Å; I220-A224 WeakPolarHBondContact O-CB 3.3Å; I220-A224 PolarHBondContact O-N 3.43Å; I220-I244 HydrophobicContact CG2-CD1 3.62Å; I220-I244 HydrophobicContact CG2-CG1 4.26Å; I220-F487 HydrophobicContact CG2-CZ 3.87Å |
| 221 | L | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -36.6 | 174.2 | -178.9 | 61.7 | 0 | 0 | 0 | 111.4 | I161 L164 N217 V218 P219 S225 R241 I244 Y245 L248 | I161-L221 HydrophobicContact CG2-CD2 3.7Å; L164-L221 HydrophobicContact CD2-CB 4.25Å; L164-L221 HydrophobicContact CD2-CD2 3.9Å; L164-L221 HydrophobicContact CD2-CG 3.95Å; N217-L221 WeakPolarHBondContact O-CB 3.34Å; N217-L221 PolarHBondContact O-N 3.08Å; V218-L221 PolarHBondContact O-N 2.96Å; P219-L221 VanDerWaalsContact C-N 3.33Å; P219-L221 PolarHBondContact O-N 3.32Å; L221-S225 WeakPolarHBondContact O-CB 3.39Å; L221-S225 PolarHBondContact O-N 2.93Å; L221-S225 PolarHBondContact O-OG 3.33Å; L221-R241 HydrophobicContact CD1-CG 3.78Å; L221-I244 HydrophobicContact CB-CG2 3.86Å; L221-I244 HydrophobicContact CD1-CB 4.49Å; L221-I244 HydrophobicContact CD1-CG2 4.32Å; L221-Y245 HydrophobicContact CD2-CD2 4.35Å; L221-L248 HydrophobicContact CB-CD1 3.75Å; L221-L248 HydrophobicContact CD2-CD1 3.53Å; L221-L248 HydrophobicContact CG-CD1 4.19Å |
| 222 | Y | 92.9 | Very high | 90.4 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 22% | 0.22 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.3 | -53 | 175.2 | 170.3 | -96.2 | 0 | 0 | 0 | 111 | L164 L173 Y177 V218 P219 I220 A224 S225 Q226 | L164-Y222 HydrophobicContact CD1-CD2 4.39Å; L173-Y222 HydrophobicContact CD1-CD2 4.2Å; L173-Y222 HydrophobicContact CD2-CD2 4.02Å; L173-Y222 HydrophobicContact CD2-CE2 3.96Å; L173-Y222 HydrophobicContact CG-CD2 3.72Å; L173-Y222 HydrophobicContact CG-CE2 3.73Å; Y177-Y222 HydrophobicContact CD1-CD2 4.24Å; Y177-Y222 HydrophobicContact CD1-CE2 4.49Å; Y177-Y222 HydrophobicContact CD1-CG 4.41Å; Y177-Y222 AromaticContact CD2-CD2 3.97Å; Y177-Y222 HydrophobicContact CD2-CD2 3.97Å; Y177-Y222 AromaticContact CD2-CG 3.94Å; Y177-Y222 HydrophobicContact CD2-CG 3.94Å; Y177-Y222 HydrophobicContact CE2-CG 4.32Å; Y177-Y222 AromaticContact CG-CD2 3.67Å; Y177-Y222 HydrophobicContact CG-CD2 3.67Å; Y177-Y222 HydrophobicContact CG-CE2 4.23Å; Y177-Y222 AromaticContact CG-CG 3.98Å; Y177-Y222 HydrophobicContact CG-CG 3.98Å; V218-Y222 PolarHBondContact O-N 3.18Å; P219-Y222 WeakPolarHBondContact O-CB 3.43Å; P219-Y222 PolarHBondContact O-N 3.22Å; I220-Y222 VanDerWaalsContact C-N 3.28Å; I220-Y222 PolarHBondContact O-N 3.36Å; Y222-A224 PolarHBondContact O-N 2.89Å; Y222-S225 PolarHBondContact O-N 3.06Å; Y222-Q226 WeakPolarHBondContact O-CB 3.43Å; Y222-Q226 PolarHBondContact O-N 2.99Å |
| 223 | T | 88.5 | Confident | 90.4 | Very high | 49 Ų | 49 | 37.9 Ų | 37.9 | 30% | 0.301 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.3 | -41 | -179.4 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | P219 I220 S225 Q226 A227 | P219-T223 PolarHBondContact O-N 3.4Å; P219-T223 VanDerWaalsContact O-N 3.16Å; I220-T223 PolarHBondContact O-N 3.24Å; I220-T223 PolarHBondContact O-OG1 3.14Å; T223-S225 PolarHBondContact O-N 3.48Å; T223-Q226 PolarHBondContact O-N 2.92Å; T223-A227 WeakPolarHBondContact O-CB 3.48Å; T223-A227 PolarHBondContact O-N 3.43Å |
| 224 | A | 89.2 | Confident | 90.2 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -37.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I220 Y222 C228 R241 I244 | I220-A224 VanDerWaalsContact O-CB 3.23Å; I220-A224 WeakPolarHBondContact O-CB 3.3Å; I220-A224 PolarHBondContact O-N 3.43Å; Y222-A224 PolarHBondContact O-N 2.89Å; A224-C228 PolarHBondContact O-N 3.39Å; A224-C228 PolarHBondContact O-SG 2.94Å; A224-R241 HydrophobicContact CB-CB 4.08Å; A224-R241 HydrophobicContact CB-CG 4.44Å; A224-I244 HydrophobicContact CB-CD1 3.6Å |
| 225 | S | 91.9 | Very high | 90 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.4 | -38 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | L221 Y222 T223 C228 L229 R241 | L221-S225 WeakPolarHBondContact O-CB 3.39Å; L221-S225 PolarHBondContact O-N 2.93Å; L221-S225 PolarHBondContact O-OG 3.33Å; Y222-S225 PolarHBondContact O-N 3.06Å; T223-S225 PolarHBondContact O-N 3.48Å; S225-C228 WeakPolarHBondContact O-CB 3.43Å; S225-C228 PolarHBondContact O-N 2.97Å; S225-L229 WeakPolarHBondContact O-CG 3.38Å; S225-L229 PolarHBondContact O-N 3.11Å; S225-R241 VanDerWaalsContact OG-CD 3.32Å; S225-R241 WeakPolarHBondContact OG-CD 3.26Å; S225-R241 WeakPolarHBondContact OG-CG 3.43Å |
| 226 | Q | 90.4 | Very high | 89.8 | Confident | 43 Ų | 43 | 37.8 Ų | 37.8 | 20% | 0.201 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 174.4 | -171.2 | 176.5 | 12.7 | 0 | 0 | 111.1 | L173 Y222 T223 C228 L229 Q230 | L173-Q226 HydrophobicContact CD2-CB 3.68Å; L173-Q226 HydrophobicContact CD2-CG 4.41Å; Y222-Q226 WeakPolarHBondContact O-CB 3.43Å; Y222-Q226 PolarHBondContact O-N 2.99Å; T223-Q226 PolarHBondContact O-N 2.92Å; Q226-C228 VanDerWaalsContact C-N 3.29Å; Q226-C228 PolarHBondContact O-N 3.3Å; Q226-L229 WeakPolarHBondContact O-CB 3.39Å; Q226-L229 PolarHBondContact O-N 3.38Å; Q226-Q230 PolarHBondContact O-N 2.73Å; Q226-Q230 VanDerWaalsContact O-N 3.08Å |
| 227 | A | 85.7 | Confident | 89.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T223 L229 Q230 H231 Y237 L479 | T223-A227 WeakPolarHBondContact O-CB 3.48Å; T223-A227 PolarHBondContact O-N 3.43Å; A227-L229 VanDerWaalsContact C-N 3.27Å; A227-L229 PolarHBondContact O-N 3.18Å; A227-Q230 PolarHBondContact O-N 3.33Å; A227-H231 PolarHBondContact O-N 3.05Å; A227-Y237 HydrophobicContact CB-CD1 3.71Å; A227-Y237 HydrophobicContact CB-CD2 4.26Å; A227-Y237 HydrophobicContact CB-CE1 3.96Å; A227-Y237 HydrophobicContact CB-CG 3.88Å; A227-L479 HydrophobicContact CB-CD1 4.4Å; A227-L479 HydrophobicContact CB-CD2 3.36Å |
| 228 | C | 89.9 | Confident | 89.6 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 10% | 0.101 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -31.8 | 177.7 | -67 | 0 | 0 | 0 | 0 | 113.2 | A224 S225 Q226 P232 Y237 K238 | A224-C228 PolarHBondContact O-N 3.39Å; A224-C228 PolarHBondContact O-SG 2.94Å; S225-C228 WeakPolarHBondContact O-CB 3.43Å; S225-C228 PolarHBondContact O-N 2.97Å; Q226-C228 VanDerWaalsContact C-N 3.29Å; Q226-C228 PolarHBondContact O-N 3.3Å; C228-P232 WeakPolarHBondContact O-CA 3.38Å; C228-Y237 PolarHBondContact SG-O 2.94Å; C228-Y237 VanDerWaalsContact SG-O 3.33Å; C228-K238 PolarHBondContact SG-N 3.49Å |
| 229 | L | 90.6 | Very high | 89.4 | Confident | 46 Ų | 46 | 42 Ų | 42 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -78 | -35.6 | 179.9 | -68.5 | 171.1 | 0 | 0 | 0 | 111.7 | G168 E170 L173 S225 Q226 A227 | G168-L229 WeakPolarHBondContact O-CD2 3.26Å; E170-L229 HydrophobicContact CG-CB 4.47Å; E170-L229 HydrophobicContact CG-CD1 4.45Å; L173-L229 HydrophobicContact CB-CD1 4.28Å; L173-L229 HydrophobicContact CD2-CD1 4.1Å; S225-L229 WeakPolarHBondContact O-CG 3.38Å; S225-L229 PolarHBondContact O-N 3.11Å; Q226-L229 WeakPolarHBondContact O-CB 3.39Å; Q226-L229 PolarHBondContact O-N 3.38Å; A227-L229 VanDerWaalsContact C-N 3.27Å; A227-L229 PolarHBondContact O-N 3.18Å |
| 230 | Q | 87.1 | Confident | 89.3 | Confident | 79 Ų | 79 | 40 Ų | 40 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -76.2 | -32.3 | 176.5 | -66.8 | -173 | -1.5 | 0 | 0 | 113.1 | E170 Q226 A227 | E170-Q230 VanDerWaalsContact OE1-CD 3.25Å; E170-Q230 WeakPolarHBondContact OE1-CG 3.43Å; E170-Q230 PolarHBondContact OE1-NE2 3.49Å; Q226-Q230 PolarHBondContact O-N 2.73Å; Q226-Q230 VanDerWaalsContact O-N 3.08Å; A227-Q230 PolarHBondContact O-N 3.33Å |
| 231 | H | 86.1 | Confident | 89.5 | Confident | 36 Ų | 36 | 41 Ų | 41 | 17% | 0.167 | 23% | 0.231 | C | C | . | . | trans | -129.4 | 68.6 | -177.1 | -57.1 | -43.5 | 0 | 0 | 0 | 111.8 | A227 D233 V234 Y237 S477 | A227-H231 PolarHBondContact O-N 3.05Å; H231-D233 PolarHBondContact O-N 2.83Å; H231-V234 HydrophobicContact CB-CB 4.35Å; H231-V234 HydrophobicContact CB-CG2 4.01Å; H231-V234 PolarHBondContact O-N 3.47Å; H231-Y237 HydrophobicContact CB-CD2 3.89Å; H231-Y237 HydrophobicContact CB-CE2 3.77Å; H231-Y237 AromaticContact CD2-CE2 3.61Å; H231-S477 PolarHBondContact NE2-OG 3.46Å | ||
| 232 | P | 87.7 | Confident | 89.4 | Confident | 107 Ų | 107 | 43.2 Ų | 43.2 | 70% | 0.695 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.5 | -176.2 | -20.3 | 33.8 | 0 | 0 | 0 | 114.2 | C228 V234 | C228-P232 WeakPolarHBondContact O-CA 3.38Å; P232-V234 VanDerWaalsContact C-N 3.35Å |
| 233 | D | 87.6 | Confident | 89.4 | Confident | 110 Ų | 110 | 42.9 Ų | 42.9 | 59% | 0.588 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -19.7 | 178 | 57.5 | -39.4 | 0 | 0 | 0 | 113.2 | H231 A235 K474 | H231-D233 PolarHBondContact O-N 2.83Å; D233-A235 PolarHBondContact O-N 2.85Å; D233-K474 WeakPolarHBondContact OD2-CE 3.5Å; D233-K474 IonicContact OD2-NZ 2.89Å; D233-K474 PolarHBondContact OD2-NZ 3Å |
| 234 | V | 87 | Confident | 89.6 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | trans | -92.7 | 98.3 | -175.1 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | H231 P232 A236 Y237 A470 K474 | H231-V234 HydrophobicContact CB-CB 4.35Å; H231-V234 HydrophobicContact CB-CG2 4.01Å; H231-V234 PolarHBondContact O-N 3.47Å; P232-V234 VanDerWaalsContact C-N 3.35Å; V234-A236 HydrophobicContact CG1-CB 4.12Å; V234-A236 PolarHBondContact O-N 3.4Å; V234-A236 VanDerWaalsContact O-N 3.13Å; V234-Y237 HydrophobicContact CB-CD2 3.66Å; V234-Y237 HydrophobicContact CB-CE2 3.99Å; V234-Y237 HydrophobicContact CG1-CD2 3.68Å; V234-Y237 HydrophobicContact CG1-CE2 3.88Å; V234-Y237 HydrophobicContact CG1-CG 4.32Å; V234-Y237 HydrophobicContact CG2-CD2 4.41Å; V234-Y237 HydrophobicContact CG2-CE2 4.31Å; V234-Y237 PolarHBondContact O-N 3.46Å; V234-A470 HydrophobicContact CG1-CB 4.11Å; V234-K474 HydrophobicContact CG2-CG 4.09Å | ||
| 235 | A | 89.9 | Confident | 89.9 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 65% | 0.653 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -57.6 | -28.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D233 Y237 K238 A239 | D233-A235 PolarHBondContact O-N 2.85Å; A235-Y237 PolarHBondContact O-N 3.17Å; A235-K238 PolarHBondContact O-N 2.9Å; A235-A239 PolarHBondContact O-N 3.45Å |
| 236 | A | 88 | Confident | 90 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V234 A239 N240 L469 A470 | V234-A236 HydrophobicContact CG1-CB 4.12Å; V234-A236 PolarHBondContact O-N 3.4Å; V234-A236 VanDerWaalsContact O-N 3.13Å; A236-A239 PolarHBondContact O-N 3.2Å; A236-N240 WeakPolarHBondContact O-CB 3.49Å; A236-N240 PolarHBondContact O-N 3.34Å; A236-L469 HydrophobicContact CB-CB 4.11Å; A236-A470 HydrophobicContact CB-CB 4.02Å |
| 237 | Y | 87.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 175.7 | -69.1 | -50 | 0 | 0 | 0 | 111.8 | A227 C228 H231 V234 A235 A239 N240 R241 A470 L479 A480 | A227-Y237 HydrophobicContact CB-CD1 3.71Å; A227-Y237 HydrophobicContact CB-CD2 4.26Å; A227-Y237 HydrophobicContact CB-CE1 3.96Å; A227-Y237 HydrophobicContact CB-CG 3.88Å; C228-Y237 PolarHBondContact SG-O 2.94Å; C228-Y237 VanDerWaalsContact SG-O 3.33Å; H231-Y237 HydrophobicContact CB-CD2 3.89Å; H231-Y237 HydrophobicContact CB-CE2 3.77Å; H231-Y237 AromaticContact CD2-CE2 3.61Å; V234-Y237 HydrophobicContact CB-CD2 3.66Å; V234-Y237 HydrophobicContact CB-CE2 3.99Å; V234-Y237 HydrophobicContact CG1-CD2 3.68Å; V234-Y237 HydrophobicContact CG1-CE2 3.88Å; V234-Y237 HydrophobicContact CG1-CG 4.32Å; V234-Y237 HydrophobicContact CG2-CD2 4.41Å; V234-Y237 HydrophobicContact CG2-CE2 4.31Å; V234-Y237 PolarHBondContact O-N 3.46Å; A235-Y237 PolarHBondContact O-N 3.17Å; Y237-A239 PolarHBondContact O-N 2.93Å; Y237-N240 PolarHBondContact O-N 3.47Å; Y237-R241 WeakPolarHBondContact O-CB 3.5Å; Y237-R241 PolarHBondContact O-N 3.09Å; Y237-A470 HydrophobicContact CD1-CB 3.74Å; Y237-A470 HydrophobicContact CD2-CB 4.45Å; Y237-A470 HydrophobicContact CE1-CB 3.32Å; Y237-A470 HydrophobicContact CE2-CB 4.06Å; Y237-A470 HydrophobicContact CG-CB 4.28Å; Y237-A470 VanDerWaalsContact CZ-CB 3.49Å; Y237-L479 HydrophobicContact CE1-CD2 4.39Å; Y237-A480 WeakPolarHBondContact OH-CA 3.28Å; Y237-A480 WeakPolarHBondContact OH-CB 3.5Å |
| 238 | K | 90.3 | Very high | 90.6 | Very high | 124 Ų | 124 | 46.8 Ų | 46.8 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 178.3 | -172.5 | 177.3 | 179.2 | 179.9 | 0 | 111.4 | C228 A235 N240 D242 | C228-K238 PolarHBondContact SG-N 3.49Å; A235-K238 PolarHBondContact O-N 2.9Å; K238-N240 VanDerWaalsContact C-N 3.34Å; K238-D242 WeakPolarHBondContact O-CB 3.32Å; K238-D242 VanDerWaalsContact O-CG 3.23Å; K238-D242 PolarHBondContact O-N 3.14Å |
| 239 | A | 91 | Very high | 90.8 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A235 A236 Y237 D242 L243 | A235-A239 PolarHBondContact O-N 3.45Å; A236-A239 PolarHBondContact O-N 3.2Å; Y237-A239 PolarHBondContact O-N 2.93Å; A239-D242 PolarHBondContact O-N 2.97Å; A239-L243 WeakPolarHBondContact O-CB 3.47Å; A239-L243 PolarHBondContact O-N 2.82Å |
| 240 | N | 89.9 | Confident | 90.9 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 178.9 | -158.9 | 39.5 | 0 | 0 | 0 | 112.2 | A236 Y237 K238 D242 L243 I244 Q463 N466 F487 | A236-N240 WeakPolarHBondContact O-CB 3.49Å; A236-N240 PolarHBondContact O-N 3.34Å; Y237-N240 PolarHBondContact O-N 3.47Å; K238-N240 VanDerWaalsContact C-N 3.34Å; N240-D242 VanDerWaalsContact C-N 3.32Å; N240-D242 PolarHBondContact O-N 2.99Å; N240-L243 PolarHBondContact O-N 3.29Å; N240-I244 WeakPolarHBondContact O-CD1 3.35Å; N240-I244 WeakPolarHBondContact O-CG1 3.29Å; N240-I244 PolarHBondContact O-N 3.32Å; N240-Q463 WeakPolarHBondContact OD1-CA 3.35Å; N240-Q463 WeakPolarHBondContact OD1-CB 3.49Å; N240-Q463 WeakPolarHBondContact OD1-CG 3.4Å; N240-N466 HydrophobicContact CB-CB 4.01Å; N240-F487 VanDerWaalsContact ND2-CE2 3.31Å; N240-F487 WeakPolarHBondContact ND2-CE2 3.04Å; N240-F487 WeakPolarHBondContact ND2-CZ 3.47Å |
| 241 | R | 93.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 49 Ų | 49 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.2 | -46 | 177.3 | -176.2 | -162.7 | 66.9 | -174.4 | -3 | 112 | L221 A224 S225 Y237 L243 I244 Y245 | L221-R241 HydrophobicContact CD1-CG 3.78Å; A224-R241 HydrophobicContact CB-CB 4.08Å; A224-R241 HydrophobicContact CB-CG 4.44Å; S225-R241 VanDerWaalsContact OG-CD 3.32Å; S225-R241 WeakPolarHBondContact OG-CD 3.26Å; S225-R241 WeakPolarHBondContact OG-CG 3.43Å; Y237-R241 WeakPolarHBondContact O-CB 3.5Å; Y237-R241 PolarHBondContact O-N 3.09Å; R241-L243 VanDerWaalsContact C-N 3.31Å; R241-L243 PolarHBondContact O-N 3.28Å; R241-I244 PolarHBondContact O-N 3.02Å; R241-Y245 WeakPolarHBondContact O-CB 3.21Å; R241-Y245 PolarHBondContact O-N 2.94Å |
| 242 | D | 93.7 | Very high | 91.6 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.7 | -31.1 | -177.4 | -70 | -9.6 | 0 | 0 | 0 | 111.8 | R165 K238 A239 N240 K246 | R165-D242 IonicContact CZ-OD1 3.21Å; R165-D242 IonicContact NE-OD1 3.59Å; R165-D242 PolarHBondContact NE-OD1 3.09Å; R165-D242 IonicContact NH2-OD1 3.69Å; R165-D242 PolarHBondContact NH2-OD1 2.91Å; R165-D242 IonicContact NH2-OD2 2.71Å; R165-D242 PolarHBondContact NH2-OD2 2.72Å; R165-D242 VanDerWaalsContact NH2-OD2 3.1Å; K238-D242 WeakPolarHBondContact O-CB 3.32Å; K238-D242 VanDerWaalsContact O-CG 3.23Å; K238-D242 PolarHBondContact O-N 3.14Å; A239-D242 PolarHBondContact O-N 2.97Å; N240-D242 VanDerWaalsContact C-N 3.32Å; N240-D242 PolarHBondContact O-N 2.99Å; D242-K246 PolarHBondContact O-N 3.39Å |
| 243 | L | 92.5 | Very high | 91.9 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.9 | -45.6 | 173.5 | -163.4 | 147.6 | 0 | 0 | 0 | 111.8 | A239 N240 R241 Y245 K246 Q247 P462 Q463 | A239-L243 WeakPolarHBondContact O-CB 3.47Å; A239-L243 PolarHBondContact O-N 2.82Å; N240-L243 PolarHBondContact O-N 3.29Å; R241-L243 VanDerWaalsContact C-N 3.31Å; R241-L243 PolarHBondContact O-N 3.28Å; L243-Y245 VanDerWaalsContact C-N 3.29Å; L243-Y245 PolarHBondContact O-N 3.31Å; L243-K246 PolarHBondContact O-N 3.48Å; L243-Q247 HydrophobicContact CD2-CG 4.29Å; L243-Q247 WeakPolarHBondContact O-CG 3.37Å; L243-Q247 PolarHBondContact O-N 2.99Å; L243-P462 HydrophobicContact CD1-CB 4.17Å; L243-P462 HydrophobicContact CD1-CG 3.85Å; L243-Q463 HydrophobicContact CD2-CG 3.58Å |
| 244 | I | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | 174.5 | -63.7 | 154.9 | 0 | 0 | 0 | 110.4 | N217 I220 L221 A224 N240 R241 K246 Q247 L248 F487 | N217-I244 HydrophobicContact CB-CG2 4.07Å; I220-I244 HydrophobicContact CG2-CD1 3.62Å; I220-I244 HydrophobicContact CG2-CG1 4.26Å; L221-I244 HydrophobicContact CB-CG2 3.86Å; L221-I244 HydrophobicContact CD1-CB 4.49Å; L221-I244 HydrophobicContact CD1-CG2 4.32Å; A224-I244 HydrophobicContact CB-CD1 3.6Å; N240-I244 WeakPolarHBondContact O-CD1 3.35Å; N240-I244 WeakPolarHBondContact O-CG1 3.29Å; N240-I244 PolarHBondContact O-N 3.32Å; R241-I244 PolarHBondContact O-N 3.02Å; I244-K246 PolarHBondContact O-N 3.41Å; I244-Q247 PolarHBondContact O-N 2.96Å; I244-L248 HydrophobicContact CG2-CD1 4.08Å; I244-L248 WeakPolarHBondContact O-CG 3.36Å; I244-L248 PolarHBondContact O-N 3.37Å; I244-F487 HydrophobicContact CD1-CZ 4.45Å |
| 245 | Y | 95.5 | Very high | 92.4 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 10% | 0.102 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 176 | 174.9 | -101.6 | 0 | 0 | 0 | 112.1 | I161 L162 R165 L221 R241 L243 Q247 L248 Q249 | I161-Y245 HydrophobicContact CG2-CD2 3.67Å; I161-Y245 HydrophobicContact CG2-CE2 3.74Å; L162-Y245 HydrophobicContact CB-CE2 4.27Å; L162-Y245 HydrophobicContact CD1-CE2 4.34Å; L162-Y245 WeakPolarHBondContact CD1-OH 3.34Å; R165-Y245 HydrophobicContact CB-CD2 3.95Å; R165-Y245 HydrophobicContact CB-CE2 4.32Å; R165-Y245 VanDerWaalsContact CD-CG 3.42Å; R165-Y245 HydrophobicContact CG-CD2 4.35Å; R165-Y245 HydrophobicContact CG-CG 4.45Å; L221-Y245 HydrophobicContact CD2-CD2 4.35Å; R241-Y245 WeakPolarHBondContact O-CB 3.21Å; R241-Y245 PolarHBondContact O-N 2.94Å; L243-Y245 VanDerWaalsContact C-N 3.29Å; L243-Y245 PolarHBondContact O-N 3.31Å; Y245-Q247 VanDerWaalsContact C-N 3.33Å; Y245-Q247 PolarHBondContact O-N 2.87Å; Y245-L248 WeakPolarHBondContact O-CB 3.36Å; Y245-L248 PolarHBondContact O-N 3.45Å; Y245-Q249 HydrophobicContact CD1-CG 4.36Å; Y245-Q249 HydrophobicContact CE1-CG 3.87Å; Y245-Q249 VanDerWaalsContact CE1-OE1 3.23Å; Y245-Q249 HydrophobicContact CE2-CG 4.23Å; Y245-Q249 VanDerWaalsContact CZ-CD 3.42Å; Y245-Q249 WeakPolarHBondContact O-CG 3.43Å; Y245-Q249 PolarHBondContact O-N 3Å; Y245-Q249 PolarHBondContact OH-NE2 3.41Å |
| 246 | K | 94.2 | Very high | 92.6 | Very high | 130 Ų | 130 | 38.7 Ų | 38.7 | 57% | 0.565 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -61.6 | -40.1 | 177 | -170.9 | 178.2 | 178.1 | -176.2 | 0 | 112 | D242 L243 I244 Q249 Q250 | D242-K246 PolarHBondContact O-N 3.39Å; L243-K246 PolarHBondContact O-N 3.48Å; I244-K246 PolarHBondContact O-N 3.41Å; K246-Q249 PolarHBondContact O-N 3.3Å; K246-Q250 WeakPolarHBondContact O-CG 3.31Å; K246-Q250 PolarHBondContact O-N 2.88Å |
| 247 | Q | 91.9 | Very high | 92.7 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -41 | 174.4 | -71.1 | -179.1 | -12.5 | 0 | 0 | 112.4 | N217 L243 I244 Y245 Q250 A251 A459 Q463 | N217-Q247 PolarHBondContact ND2-OE1 3.24Å; L243-Q247 HydrophobicContact CD2-CG 4.29Å; L243-Q247 WeakPolarHBondContact O-CG 3.37Å; L243-Q247 PolarHBondContact O-N 2.99Å; I244-Q247 PolarHBondContact O-N 2.96Å; Y245-Q247 VanDerWaalsContact C-N 3.33Å; Y245-Q247 PolarHBondContact O-N 2.87Å; Q247-Q250 PolarHBondContact O-N 3.28Å; Q247-A251 WeakPolarHBondContact O-CB 3.5Å; Q247-A251 PolarHBondContact O-N 2.81Å; Q247-A459 PolarHBondContact NE2-O 3.17Å; Q247-Q463 VanDerWaalsContact CD-NE2 3.31Å |
| 248 | L | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -42 | 175.5 | -79.3 | 167.3 | 0 | 0 | 0 | 111.8 | I161 L214 N217 V218 L221 I244 Y245 A251 V252 | I161-L248 HydrophobicContact CD1-CB 4.32Å; I161-L248 HydrophobicContact CD1-CD2 4.42Å; I161-L248 HydrophobicContact CG2-CB 4.08Å; I161-L248 HydrophobicContact CG2-CD1 4.03Å; L214-L248 HydrophobicContact CD1-CD2 3.78Å; N217-L248 HydrophobicContact CB-CD1 4.19Å; N217-L248 HydrophobicContact CB-CD2 3.61Å; N217-L248 HydrophobicContact CB-CG 3.72Å; V218-L248 HydrophobicContact CG2-CD2 3.79Å; L221-L248 HydrophobicContact CB-CD1 3.75Å; L221-L248 HydrophobicContact CD2-CD1 3.53Å; L221-L248 HydrophobicContact CG-CD1 4.19Å; I244-L248 HydrophobicContact CG2-CD1 4.08Å; I244-L248 WeakPolarHBondContact O-CG 3.36Å; I244-L248 PolarHBondContact O-N 3.37Å; Y245-L248 WeakPolarHBondContact O-CB 3.36Å; Y245-L248 PolarHBondContact O-N 3.45Å; L248-A251 PolarHBondContact O-N 3.39Å; L248-V252 VanDerWaalsContact O-CG2 3.3Å; L248-V252 WeakPolarHBondContact O-CG2 3.39Å; L248-V252 PolarHBondContact O-N 3.31Å |
| 249 | Q | 94.5 | Very high | 92.8 | Very high | 69 Ų | 69 | 36.1 Ų | 36.1 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 173.6 | -69.9 | -172.2 | -55.4 | 0 | 0 | 111.7 | Y245 K246 A251 V252 T253 | Y245-Q249 HydrophobicContact CD1-CG 4.36Å; Y245-Q249 HydrophobicContact CE1-CG 3.87Å; Y245-Q249 VanDerWaalsContact CE1-OE1 3.23Å; Y245-Q249 HydrophobicContact CE2-CG 4.23Å; Y245-Q249 VanDerWaalsContact CZ-CD 3.42Å; Y245-Q249 WeakPolarHBondContact O-CG 3.43Å; Y245-Q249 PolarHBondContact O-N 3Å; Y245-Q249 PolarHBondContact OH-NE2 3.41Å; K246-Q249 PolarHBondContact O-N 3.3Å; Q249-A251 PolarHBondContact O-N 3.01Å; Q249-V252 PolarHBondContact O-N 2.82Å; Q249-T253 WeakPolarHBondContact O-CG2 3.29Å; Q249-T253 PolarHBondContact O-N 3.22Å; Q249-T253 PolarHBondContact O-OG1 2.98Å |
| 250 | Q | 92.6 | Very high | 92.6 | Very high | 115 Ų | 115 | 34.3 Ų | 34.3 | 54% | 0.537 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 175.2 | -74.5 | 174.8 | -15.7 | 0 | 0 | 111.7 | K246 Q247 V252 T253 G254 | K246-Q250 WeakPolarHBondContact O-CG 3.31Å; K246-Q250 PolarHBondContact O-N 2.88Å; Q247-Q250 PolarHBondContact O-N 3.28Å; Q250-V252 PolarHBondContact O-N 2.91Å; Q250-T253 WeakPolarHBondContact CA-OG1 3.23Å; Q250-T253 PolarHBondContact O-N 3.49Å; Q250-T253 PolarHBondContact O-OG1 3.24Å; Q250-G254 PolarHBondContact O-N 3.42Å |
| 251 | A | 93.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I213 L214 Q247 L248 Q249 T253 G254 I255 | I213-A251 HydrophobicContact CB-CB 4.02Å; I213-A251 HydrophobicContact CG2-CB 3.77Å; L214-A251 HydrophobicContact CB-CB 4.33Å; Q247-A251 WeakPolarHBondContact O-CB 3.5Å; Q247-A251 PolarHBondContact O-N 2.81Å; L248-A251 PolarHBondContact O-N 3.39Å; Q249-A251 PolarHBondContact O-N 3.01Å; A251-T253 VanDerWaalsContact C-N 3.34Å; A251-T253 PolarHBondContact O-N 2.94Å; A251-G254 PolarHBondContact O-N 3.44Å; A251-G254 VanDerWaalsContact O-N 3.17Å; A251-I255 WeakPolarHBondContact O-CG1 3.38Å; A251-I255 PolarHBondContact O-N 3.43Å |
| 252 | V | 95.1 | Very high | 91 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | L154 E158 I161 L214 L248 Q249 Q250 G254 I255 S256 | L154-V252 HydrophobicContact CD1-CB 4.34Å; L154-V252 HydrophobicContact CD1-CG1 3.72Å; L154-V252 HydrophobicContact CD2-CG1 4.3Å; L154-V252 HydrophobicContact CG-CG1 3.74Å; E158-V252 HydrophobicContact CB-CG1 4.07Å; E158-V252 HydrophobicContact CG-CG1 4.2Å; I161-V252 HydrophobicContact CD1-CG2 4.03Å; L214-V252 HydrophobicContact CD1-CG2 4.08Å; L248-V252 VanDerWaalsContact O-CG2 3.3Å; L248-V252 WeakPolarHBondContact O-CG2 3.39Å; L248-V252 PolarHBondContact O-N 3.31Å; Q249-V252 PolarHBondContact O-N 2.82Å; Q250-V252 PolarHBondContact O-N 2.91Å; V252-G254 VanDerWaalsContact C-N 3.34Å; V252-G254 PolarHBondContact O-N 3.39Å; V252-I255 PolarHBondContact O-N 3.02Å; V252-S256 PolarHBondContact O-N 3.24Å |
| 253 | T | 92.6 | Very high | 89.2 | Confident | 72 Ų | 72 | 35.8 Ų | 35.8 | 44% | 0.442 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 176 | 57.6 | 0 | 0 | 0 | 0 | 113 | Q249 Q250 A251 S256 N257 | Q249-T253 WeakPolarHBondContact O-CG2 3.29Å; Q249-T253 PolarHBondContact O-N 3.22Å; Q249-T253 PolarHBondContact O-OG1 2.98Å; Q250-T253 WeakPolarHBondContact CA-OG1 3.23Å; Q250-T253 PolarHBondContact O-N 3.49Å; Q250-T253 PolarHBondContact O-OG1 3.24Å; A251-T253 VanDerWaalsContact C-N 3.34Å; A251-T253 PolarHBondContact O-N 2.94Å; T253-S256 WeakPolarHBondContact O-CB 3.37Å; T253-S256 PolarHBondContact O-N 3.22Å; T253-N257 VanDerWaalsContact O-CG 3.31Å; T253-N257 PolarHBondContact O-N 3.41Å; T253-N257 PolarHBondContact O-ND2 3.1Å |
| 254 | G | 91.3 | Very high | 87 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 25% | 0.247 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q250 A251 V252 S256 N257 A258 | Q250-G254 PolarHBondContact O-N 3.42Å; A251-G254 PolarHBondContact O-N 3.44Å; A251-G254 VanDerWaalsContact O-N 3.17Å; V252-G254 VanDerWaalsContact C-N 3.34Å; V252-G254 PolarHBondContact O-N 3.39Å; G254-S256 VanDerWaalsContact C-N 3.33Å; G254-S256 PolarHBondContact O-N 3.42Å; G254-N257 PolarHBondContact O-N 2.74Å; G254-A258 WeakPolarHBondContact O-CB 3.32Å; G254-A258 PolarHBondContact O-N 3.22Å |
| 255 | I | 94.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.3 | -44.9 | 173 | -67 | 170.2 | 0 | 0 | 0 | 110.3 | L154 A191 M207 A210 R211 L214 A251 V252 N257 A259 | L154-I255 HydrophobicContact CD1-CB 4.03Å; L154-I255 HydrophobicContact CD1-CD1 4.47Å; L154-I255 HydrophobicContact CD1-CG2 3.82Å; L154-I255 HydrophobicContact CD2-CG2 4.47Å; A191-I255 HydrophobicContact CB-CG2 4.24Å; M207-I255 HydrophobicContact CE-CG2 4.35Å; M207-I255 WeakPolarHBondContact CE-O 3.33Å; M207-I255 HydrophobicContact SD-CB 4.26Å; M207-I255 HydrophobicContact SD-CG1 4.17Å; M207-I255 HydrophobicContact SD-CG2 3.89Å; A210-I255 HydrophobicContact CB-CG1 3.7Å; R211-I255 HydrophobicContact CG-CD1 4.22Å; R211-I255 HydrophobicContact CG-CG1 4.36Å; L214-I255 HydrophobicContact CB-CD1 4.42Å; L214-I255 HydrophobicContact CD2-CD1 3.69Å; A251-I255 WeakPolarHBondContact O-CG1 3.38Å; A251-I255 PolarHBondContact O-N 3.43Å; V252-I255 PolarHBondContact O-N 3.02Å; I255-N257 PolarHBondContact O-N 2.94Å; I255-A259 WeakPolarHBondContact O-CB 3.33Å; I255-A259 PolarHBondContact O-N 3.29Å |
| 256 | S | 93.9 | Very high | 81.8 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 177.6 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | V252 T253 G254 Q260 | V252-S256 PolarHBondContact O-N 3.24Å; T253-S256 WeakPolarHBondContact O-CB 3.37Å; T253-S256 PolarHBondContact O-N 3.22Å; G254-S256 VanDerWaalsContact C-N 3.33Å; G254-S256 PolarHBondContact O-N 3.42Å; S256-Q260 WeakPolarHBondContact O-CG 3.42Å; S256-Q260 PolarHBondContact O-N 2.95Å; S256-Q260 PolarHBondContact O-NE2 3.07Å; S256-Q260 PolarHBondContact OG-NE2 3.28Å; S256-Q260 VanDerWaalsContact OG-NE2 3.13Å |
| 257 | N | 90.3 | Very high | 79.2 | Confident | 89 Ų | 89 | 43.4 Ų | 43.4 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66 | -48.8 | -177.2 | -72.9 | -22.3 | 0 | 0 | 0 | 111.4 | T253 G254 I255 A259 Q260 A261 | T253-N257 VanDerWaalsContact O-CG 3.31Å; T253-N257 PolarHBondContact O-N 3.41Å; T253-N257 PolarHBondContact O-ND2 3.1Å; G254-N257 PolarHBondContact O-N 2.74Å; I255-N257 PolarHBondContact O-N 2.94Å; N257-A259 PolarHBondContact O-N 3.36Å; N257-Q260 PolarHBondContact O-N 3.5Å; N257-A261 PolarHBondContact O-N 2.96Å |
| 258 | A | 89.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L198 Q206 M207 G254 Q260 A261 | L198-A258 WeakPolarHBondContact CD2-O 3.44Å; Q206-A258 HydrophobicContact CB-CB 4.37Å; M207-A258 HydrophobicContact CB-CB 4.07Å; M207-A258 HydrophobicContact CE-CB 3.81Å; G254-A258 WeakPolarHBondContact O-CB 3.32Å; G254-A258 PolarHBondContact O-N 3.22Å; A258-Q260 VanDerWaalsContact C-N 3.26Å; A258-Q260 PolarHBondContact O-N 3.37Å; A258-A261 WeakPolarHBondContact O-CB 3.26Å; A258-A261 PolarHBondContact O-N 3.08Å |
| 259 | A | 90.1 | Very high | 73.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L150 R194 M207 I255 N257 | L150-A259 HydrophobicContact CD2-CB 3.58Å; R194-A259 HydrophobicContact CG-CB 4.34Å; R194-A259 PolarHBondContact NE-O 3.33Å; R194-A259 VanDerWaalsContact NE-O 3.1Å; R194-A259 PolarHBondContact NH2-O 3.07Å; M207-A259 HydrophobicContact CE-CB 3.81Å; M207-A259 VanDerWaalsContact CE-N 3.31Å; I255-A259 WeakPolarHBondContact O-CB 3.33Å; I255-A259 PolarHBondContact O-N 3.29Å; N257-A259 PolarHBondContact O-N 3.36Å |
| 260 | Q | 87.3 | Confident | 71.1 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 3 | -176.2 | -64.5 | -174.7 | 71.3 | 0 | 0 | 113.5 | N10 W13 V147 L151 S256 N257 A258 | N10-Q260 PolarHBondContact O-NE2 3.37Å; N10-Q260 PolarHBondContact O-OE1 2.93Å; W13-Q260 PolarHBondContact NE1-O 3.35Å; V147-Q260 HydrophobicContact CG1-CG 4.21Å; L151-Q260 HydrophobicContact CD1-CG 4.11Å; L151-Q260 HydrophobicContact CD2-CG 4.31Å; S256-Q260 WeakPolarHBondContact O-CG 3.42Å; S256-Q260 PolarHBondContact O-N 2.95Å; S256-Q260 PolarHBondContact O-NE2 3.07Å; S256-Q260 PolarHBondContact OG-NE2 3.28Å; S256-Q260 VanDerWaalsContact OG-NE2 3.13Å; N257-Q260 PolarHBondContact O-N 3.5Å; A258-Q260 VanDerWaalsContact C-N 3.26Å; A258-Q260 PolarHBondContact O-N 3.37Å |
| 261 | A | 80.4 | Confident | 68.3 | Low | 14 Ų | 14 | 58.9 Ų | 58.9 | 12% | 0.116 | 35% | 0.346 | C | S | . | . | trans | -57.8 | 140.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H203 N257 A258 | H203-A261 HydrophobicContact CB-CB 4.2Å; H203-A261 WeakPolarHBondContact CD2-CB 3.2Å; N257-A261 PolarHBondContact O-N 2.96Å; A258-A261 WeakPolarHBondContact O-CB 3.26Å; A258-A261 PolarHBondContact O-N 3.08Å | ||
| 262 | T | 68.5 | Low | 65.7 | Low | 54 Ų | 54 | 60.5 Ų | 60.5 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | trans | -102.4 | 142.9 | -179.9 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | S264 | T262-S264 PolarHBondContact O-N 2.95Š| ||
| 263 | A | 56.3 | Low | 63.2 | Low | 42 Ų | 42 | 63 Ų | 63 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -2.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K199 | K199-A263 HydrophobicContact CD-CB 3.89Š|
| 264 | S | 46.6 | Very low | 61.2 | Low | 83 Ų | 83 | 60.9 Ų | 60.9 | 58% | 0.58 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 25.7 | -171.9 | -170.9 | 0 | 0 | 0 | 0 | 114.2 | T262 D266 | T262-S264 PolarHBondContact O-N 2.95Å; S264-D266 VanDerWaalsContact C-N 3.3Å; S264-D266 PolarHBondContact O-N 3.1Å |
| 265 | D | 43.3 | Very low | 60 | Low | 111 Ų | 111 | 60.5 Ų | 60.5 | 59% | 0.594 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -83 | 93 | 155.2 | -74.9 | -16.3 | 0 | 0 | 0 | 106.1 | A267 | D265-A267 PolarHBondContact O-N 3.33Š|
| 266 | D | 36.2 | Very low | 59.2 | Low | 80 Ų | 80 | 60.5 Ų | 60.5 | 43% | 0.428 | 38% | 0.378 | S | S | . | . | trans | -49.7 | 102.3 | -176.1 | -160.3 | 45.5 | 0 | 0 | 0 | 109.8 | S264 S268 Q269 | S264-D266 VanDerWaalsContact C-N 3.3Å; S264-D266 PolarHBondContact O-N 3.1Å; D266-S268 PolarHBondContact O-N 3.46Å; D266-S268 PolarHBondContact OD1-OG 2.98Å; D266-S268 PolarHBondContact OD2-OG 3.11Å; D266-Q269 HydrophobicContact CB-CB 3.97Å; D266-Q269 PolarHBondContact O-N 3.1Å; D266-Q269 PolarHBondContact OD2-N 3.45Å | ||
| 267 | A | 40.3 | Very low | 58.7 | Low | 90 Ų | 90 | 66.3 Ų | 66.3 | 74% | 0.744 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D265 | D265-A267 PolarHBondContact O-N 3.33Š|
| 268 | S | 38.3 | Very low | 58.6 | Low | 78 Ų | 78 | 62.5 Ų | 62.5 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -17.5 | 171.1 | 30.1 | 0 | 0 | 0 | 0 | 115.6 | D266 | D266-S268 PolarHBondContact O-N 3.46Å; D266-S268 PolarHBondContact OD1-OG 2.98Å; D266-S268 PolarHBondContact OD2-OG 3.11Å |
| 269 | Q | 35.7 | Very low | 58.3 | Low | 165 Ų | 165 | 62.6 Ų | 62.6 | 77% | 0.771 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -15.8 | 177.2 | -152.4 | 170.3 | 1.6 | 0 | 0 | 112.6 | D266 Q271 | D266-Q269 HydrophobicContact CB-CB 3.97Å; D266-Q269 PolarHBondContact O-N 3.1Å; D266-Q269 PolarHBondContact OD2-N 3.45Å; Q269-Q271 PolarHBondContact O-N 2.93Å |
| 270 | H | 36.3 | Very low | 57.8 | Low | 126 Ų | 126 | 67.3 Ų | 67.3 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | trans | -90.4 | 76.1 | 159.3 | -65.8 | 89 | 0 | 0 | 0 | 109.7 | G272 | H270-G272 PolarHBondContact O-N 3.36Š| ||
| 271 | Q | 34.2 | Very low | 57.6 | Low | 164 Ų | 164 | 68 Ų | 68 | 77% | 0.766 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -64.5 | 85.3 | 159.1 | -73 | -176.8 | 8 | 0 | 0 | 108.6 | Q269 Y280 | Q269-Q271 PolarHBondContact O-N 2.93Å; Q271-Y280 WeakPolarHBondContact O-CE2 3.41Å; Q271-Y280 PolarHBondContact O-OH 3.17Å |
| 272 | G | 39.2 | Very low | 57.8 | Low | 37 Ų | 37 | 67.4 Ų | 67.4 | 38% | 0.381 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 91.2 | 35.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | H270 Y280 | H270-G272 PolarHBondContact O-N 3.36Å; G272-Y280 WeakPolarHBondContact O-CD2 3.29Å; G272-Y280 WeakPolarHBondContact O-CE2 3.5Å |
| 273 | G | 41.8 | Very low | 58.3 | Low | 56 Ų | 56 | 67 Ų | 67 | 58% | 0.577 | 40% | 0.399 | S | S | * | . | trans | -113.8 | 48.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 274 | G | 52.3 | Low | 59.3 | Low | 29 Ų | 29 | 66.3 Ų | 66.3 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -126.7 | -16.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E444 | G274-E444 WeakPolarHBondContact CA-OE1 3.48Å; G274-E444 PolarHBondContact N-OE1 2.85Å |
| 275 | G | 64.8 | Low | 61.1 | Low | 16 Ų | 16 | 62.4 Ų | 62.4 | 17% | 0.165 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -82.1 | -165.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | E444 | G275-E444 PolarHBondContact N-OE1 3.26Š|
| 276 | G | 77.6 | Confident | 62.8 | Low | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | trans | -65.8 | 135.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L278 A279 Y280 C438 S439 S441 | G276-L278 VanDerWaalsContact C-N 3.35Å; G276-L278 PolarHBondContact O-N 3.47Å; G276-A279 WeakPolarHBondContact O-CB 3.48Å; G276-A279 PolarHBondContact O-N 3.49Å; G276-Y280 WeakPolarHBondContact O-CB 3.31Å; G276-Y280 PolarHBondContact O-N 3.39Å; G276-C438 WeakPolarHBondContact CA-O 3.46Å; G276-S439 CarbonylContact C-O 3.04Å; G276-S439 VanDerWaalsContact C-O 3.23Å; G276-S439 VanDerWaalsContact CA-O 3.24Å; G276-S439 WeakPolarHBondContact CA-O 3.47Å; G276-S441 PolarHBondContact N-O 3.21Å | ||
| 277 | E | 83.1 | Confident | 64.6 | Low | 148 Ų | 148 | 61.4 Ų | 61.4 | 69% | 0.692 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | -177.7 | -65.7 | 172.6 | -159.8 | 0 | 0 | 112.2 | A281 S439 R451 | E277-A281 WeakPolarHBondContact O-CB 3.13Å; E277-A281 PolarHBondContact O-N 3.15Å; E277-S439 PolarHBondContact N-O 3.25Å; E277-R451 IonicContact OE1-NH2 2.77Å |
| 278 | L | 87.8 | Confident | 66.1 | Low | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.4 | -37.6 | 177.9 | -175.7 | 56.2 | 0 | 0 | 0 | 111.3 | G276 A281 L282 I312 L382 S439 I440 | G276-L278 VanDerWaalsContact C-N 3.35Å; G276-L278 PolarHBondContact O-N 3.47Å; L278-A281 PolarHBondContact O-N 3.46Å; L278-L282 HydrophobicContact CD1-CD1 4.4Å; L278-L282 HydrophobicContact CD1-CG 4.44Å; L278-L282 HydrophobicContact CG-CD1 4.15Å; L278-L282 WeakPolarHBondContact O-CB 3.38Å; L278-L282 WeakPolarHBondContact O-CG 3.42Å; L278-L282 PolarHBondContact O-N 3.18Å; L278-I312 HydrophobicContact CD1-CB 4.35Å; L278-I312 HydrophobicContact CD1-CG2 4.05Å; L278-L382 HydrophobicContact CD2-CD1 3.84Å; L278-L382 HydrophobicContact CG-CD1 4.41Å; L278-S439 WeakPolarHBondContact CA-O 3.41Å; L278-S439 WeakPolarHBondContact CB-O 3.3Å; L278-S439 PolarHBondContact N-O 3.25Å; L278-I440 HydrophobicContact CD2-CG2 3.98Å; L278-I440 HydrophobicContact CG-CG2 4.42Å |
| 279 | A | 83.6 | Confident | 68.1 | Low | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G276 L282 N283 S439 I440 | G276-A279 WeakPolarHBondContact O-CB 3.48Å; G276-A279 PolarHBondContact O-N 3.49Å; A279-L282 PolarHBondContact O-N 2.82Å; A279-N283 WeakPolarHBondContact O-CB 3.41Å; A279-N283 PolarHBondContact O-N 3.27Å; A279-N283 PolarHBondContact O-ND2 3.27Å; A279-S439 PolarHBondContact N-O 3.47Å; A279-I440 WeakPolarHBondContact CB-O 3.41Å |
| 280 | Y | 79.6 | Confident | 69.7 | Low | 100 Ų | 100 | 49.8 Ų | 49.8 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 175.7 | 176.5 | -99.1 | 0 | 0 | 0 | 111.6 | Q271 G272 G276 L282 N283 N284 | Q271-Y280 WeakPolarHBondContact O-CE2 3.41Å; Q271-Y280 PolarHBondContact O-OH 3.17Å; G272-Y280 WeakPolarHBondContact O-CD2 3.29Å; G272-Y280 WeakPolarHBondContact O-CE2 3.5Å; G276-Y280 WeakPolarHBondContact O-CB 3.31Å; G276-Y280 PolarHBondContact O-N 3.39Å; Y280-L282 PolarHBondContact O-N 2.94Å; Y280-N283 PolarHBondContact O-N 3.38Å; Y280-N284 WeakPolarHBondContact O-CB 3.48Å; Y280-N284 PolarHBondContact O-N 2.76Å |
| 281 | A | 83.1 | Confident | 71.1 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.3 | -48.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E277 L278 N284 F285 I312 | E277-A281 WeakPolarHBondContact O-CB 3.13Å; E277-A281 PolarHBondContact O-N 3.15Å; L278-A281 PolarHBondContact O-N 3.46Å; A281-N284 PolarHBondContact O-N 2.96Å; A281-F285 VanDerWaalsContact O-CB 3.3Å; A281-F285 WeakPolarHBondContact O-CB 3.43Å; A281-F285 PolarHBondContact O-N 2.98Å; A281-I312 HydrophobicContact CB-CG1 3.82Å |
| 282 | L | 85.3 | Confident | 72.3 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 176 | -76.3 | 162.4 | 0 | 0 | 0 | 111.9 | L278 A279 Y280 N284 F285 D286 I312 R379 L382 | L278-L282 HydrophobicContact CD1-CD1 4.4Å; L278-L282 HydrophobicContact CD1-CG 4.44Å; L278-L282 HydrophobicContact CG-CD1 4.15Å; L278-L282 WeakPolarHBondContact O-CB 3.38Å; L278-L282 WeakPolarHBondContact O-CG 3.42Å; L278-L282 PolarHBondContact O-N 3.18Å; A279-L282 PolarHBondContact O-N 2.82Å; Y280-L282 PolarHBondContact O-N 2.94Å; L282-N284 VanDerWaalsContact C-N 3.32Å; L282-N284 PolarHBondContact O-N 3.03Å; L282-F285 PolarHBondContact O-N 2.77Å; L282-D286 PolarHBondContact O-N 3.16Å; L282-I312 HydrophobicContact CD2-CD1 4.17Å; L282-I312 HydrophobicContact CD2-CG1 4.46Å; L282-I312 HydrophobicContact CD2-CG2 3.59Å; L282-I312 HydrophobicContact CG-CD1 4.46Å; L282-I312 HydrophobicContact CG-CG1 4.45Å; L282-I312 HydrophobicContact CG-CG2 4.07Å; L282-R379 HydrophobicContact CD1-CB 4.25Å; L282-R379 HydrophobicContact CD1-CG 4.24Å; L282-L382 HydrophobicContact CD1-CD1 4.05Å |
| 283 | N | 78.7 | Confident | 73.2 | Confident | 45 Ų | 45 | 35.9 Ų | 35.9 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -36.9 | 179.6 | -69.5 | -20.3 | 0 | 0 | 0 | 112.7 | A279 Y280 K287 R379 N442 | A279-N283 WeakPolarHBondContact O-CB 3.41Å; A279-N283 PolarHBondContact O-N 3.27Å; A279-N283 PolarHBondContact O-ND2 3.27Å; Y280-N283 PolarHBondContact O-N 3.38Å; N283-K287 WeakPolarHBondContact O-CD 3.43Å; N283-K287 VanDerWaalsContact O-CG 3.3Å; N283-K287 WeakPolarHBondContact O-CG 3.39Å; N283-K287 PolarHBondContact O-N 3.47Å; N283-R379 PolarHBondContact OD1-NH2 3.35Å; N283-N442 PolarHBondContact ND2-OD1 2.89Å |
| 284 | N | 76.8 | Confident | 73.9 | Confident | 28 Ų | 28 | 37.4 Ų | 37.4 | 15% | 0.15 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.9 | -37.9 | 178.5 | -170.6 | 33.6 | 0 | 0 | 0 | 111.1 | Y280 A281 L282 K287 Q288 R308 | Y280-N284 WeakPolarHBondContact O-CB 3.48Å; Y280-N284 PolarHBondContact O-N 2.76Å; A281-N284 PolarHBondContact O-N 2.96Å; L282-N284 VanDerWaalsContact C-N 3.32Å; L282-N284 PolarHBondContact O-N 3.03Å; N284-K287 PolarHBondContact O-N 3.38Å; N284-Q288 VanDerWaalsContact CG-NE2 3.25Å; N284-Q288 PolarHBondContact ND2-NE2 3.13Å; N284-Q288 VanDerWaalsContact ND2-NE2 3.11Å; N284-Q288 VanDerWaalsContact O-CG 3.3Å; N284-Q288 WeakPolarHBondContact O-CG 3.34Å; N284-Q288 PolarHBondContact O-N 3.44Å; N284-Q288 PolarHBondContact OD1-NE2 3.15Å; N284-R308 PolarHBondContact ND2-NH1 2.98Å |
| 285 | F | 84.4 | Confident | 74.2 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 173.9 | -175.3 | -90.2 | 0 | 0 | 0 | 111.5 | A281 L282 K287 Q288 I289 L305 R308 L309 I312 L344 M371 T375 | A281-F285 VanDerWaalsContact O-CB 3.3Å; A281-F285 WeakPolarHBondContact O-CB 3.43Å; A281-F285 PolarHBondContact O-N 2.98Å; L282-F285 PolarHBondContact O-N 2.77Å; F285-K287 PolarHBondContact O-N 3.38Å; F285-K287 VanDerWaalsContact O-N 3.15Å; F285-Q288 PolarHBondContact O-N 2.95Å; F285-I289 HydrophobicContact CD1-CG2 3.8Å; F285-I289 HydrophobicContact CE1-CG2 3.37Å; F285-I289 HydrophobicContact CE2-CG2 4.3Å; F285-I289 HydrophobicContact CG-CG2 4.43Å; F285-I289 HydrophobicContact CZ-CG2 3.67Å; F285-I289 WeakPolarHBondContact O-CG2 3.32Å; F285-I289 PolarHBondContact O-N 2.99Å; F285-L305 HydrophobicContact CE2-CD2 4.24Å; F285-L305 WeakPolarHBondContact CE2-O 3.45Å; F285-R308 HydrophobicContact CD2-CB 3.9Å; F285-R308 HydrophobicContact CE2-CB 4.45Å; F285-L309 HydrophobicContact CE1-CD1 4.47Å; F285-L309 HydrophobicContact CE2-CB 3.84Å; F285-L309 HydrophobicContact CE2-CD1 4.4Å; F285-L309 HydrophobicContact CZ-CB 4.18Å; F285-L309 HydrophobicContact CZ-CD1 4.13Å; F285-I312 HydrophobicContact CB-CD1 3.56Å; F285-I312 HydrophobicContact CD1-CD1 4.4Å; F285-I312 HydrophobicContact CD2-CD1 4.11Å; F285-I312 HydrophobicContact CG-CD1 3.77Å; F285-L344 HydrophobicContact CZ-CD1 4.26Å; F285-L344 HydrophobicContact CZ-CD2 4.43Å; F285-M371 HydrophobicContact CE1-CE 3.91Å; F285-M371 HydrophobicContact CE1-CG 4.42Å; F285-M371 HydrophobicContact CE1-SD 4.39Å; F285-M371 HydrophobicContact CZ-CE 4.32Å; F285-T375 HydrophobicContact CD1-CG2 3.75Å; F285-T375 HydrophobicContact CE1-CG2 3.75Å |
| 286 | D | 79.2 | Confident | 74.2 | Confident | 33 Ų | 33 | 39 Ų | 39 | 18% | 0.176 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.6 | -32.2 | 175.9 | -72.8 | -23.1 | 0 | 0 | 0 | 112.7 | L282 I289 T375 R379 | L282-D286 PolarHBondContact O-N 3.16Å; D286-I289 VanDerWaalsContact O-CG1 3.3Å; D286-I289 WeakPolarHBondContact O-CG1 3.31Å; D286-T375 WeakPolarHBondContact OD1-CB 3.49Å; D286-T375 PolarHBondContact OD1-OG1 3.16Å; D286-R379 IonicContact OD2-CZ 3.62Å; D286-R379 IonicContact OD2-NH1 3.79Å; D286-R379 PolarHBondContact OD2-NH1 3.03Å; D286-R379 IonicContact OD2-NH2 3.79Å; D286-R379 PolarHBondContact OD2-NH2 2.91Å |
| 287 | K | 74.1 | Confident | 73.8 | Confident | 137 Ų | 137 | 41.4 Ų | 41.4 | 60% | 0.596 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -75.1 | -28.2 | 175.5 | -68.4 | 166 | -169.5 | 170.4 | 0 | 113 | N283 N284 F285 | N283-K287 WeakPolarHBondContact O-CD 3.43Å; N283-K287 VanDerWaalsContact O-CG 3.3Å; N283-K287 WeakPolarHBondContact O-CG 3.39Å; N283-K287 PolarHBondContact O-N 3.47Å; N284-K287 PolarHBondContact O-N 3.38Å; F285-K287 PolarHBondContact O-N 3.38Å; F285-K287 VanDerWaalsContact O-N 3.15Å |
| 288 | Q | 73.4 | Confident | 73.1 | Confident | 53 Ų | 53 | 38.4 Ų | 38.4 | 25% | 0.248 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -96.4 | -17.8 | -170.8 | -71.3 | -174.5 | 37.8 | 0 | 0 | 114.1 | N284 F285 I290 V291 L305 R308 | N284-Q288 VanDerWaalsContact CG-NE2 3.25Å; N284-Q288 PolarHBondContact ND2-NE2 3.13Å; N284-Q288 VanDerWaalsContact ND2-NE2 3.11Å; N284-Q288 VanDerWaalsContact O-CG 3.3Å; N284-Q288 WeakPolarHBondContact O-CG 3.34Å; N284-Q288 PolarHBondContact O-N 3.44Å; N284-Q288 PolarHBondContact OD1-NE2 3.15Å; F285-Q288 PolarHBondContact O-N 2.95Å; Q288-I290 PolarHBondContact O-N 2.96Å; Q288-V291 VanDerWaalsContact O-CG2 3.29Å; Q288-V291 WeakPolarHBondContact O-CG2 3.31Å; Q288-L305 HydrophobicContact CB-CD2 4.3Å; Q288-R308 VanDerWaalsContact OE1-CZ 3.26Å |
| 289 | I | 78.4 | Confident | 72.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -66.9 | -14.8 | 175 | 55.5 | 168.7 | 0 | 0 | 0 | 113.4 | F285 D286 L305 L347 Y351 M371 T372 | F285-I289 HydrophobicContact CD1-CG2 3.8Å; F285-I289 HydrophobicContact CE1-CG2 3.37Å; F285-I289 HydrophobicContact CE2-CG2 4.3Å; F285-I289 HydrophobicContact CG-CG2 4.43Å; F285-I289 HydrophobicContact CZ-CG2 3.67Å; F285-I289 WeakPolarHBondContact O-CG2 3.32Å; F285-I289 PolarHBondContact O-N 2.99Å; D286-I289 VanDerWaalsContact O-CG1 3.3Å; D286-I289 WeakPolarHBondContact O-CG1 3.31Å; I289-L305 HydrophobicContact CG2-CD2 4.32Å; I289-L347 HydrophobicContact CB-CD2 4.17Å; I289-L347 HydrophobicContact CG2-CD2 4.4Å; I289-Y351 PolarHBondContact O-OH 2.93Å; I289-M371 HydrophobicContact CB-CG 4.47Å; I289-M371 HydrophobicContact CD1-CB 4.27Å; I289-M371 HydrophobicContact CD1-CG 3.84Å; I289-M371 HydrophobicContact CG2-CG 4.07Å; I289-T372 WeakPolarHBondContact CD1-OG1 3.32Å |
| 290 | I | 70.6 | Confident | 71.8 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 18% | 0.179 | 27% | 0.27 | C | S | . | . | trans | -100.9 | 90.8 | 179.3 | -60.3 | 179.8 | 0 | 0 | 0 | 109.5 | Q288 I368 L785 | Q288-I290 PolarHBondContact O-N 2.96Å; I290-I368 HydrophobicContact CD1-CG2 4.15Å; I290-I368 HydrophobicContact CG1-CG2 3.86Å; I290-L785 HydrophobicContact CD1-CD1 3.4Å; I290-L785 HydrophobicContact CD1-CG 4.49Å | ||
| 291 | V | 65.8 | Low | 71.4 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | trans | -108.4 | 145.1 | 179.3 | -173.7 | 0 | 0 | 0 | 0 | 110.5 | Q288 P293 F301 Y351 | Q288-V291 VanDerWaalsContact O-CG2 3.29Å; Q288-V291 WeakPolarHBondContact O-CG2 3.31Å; V291-P293 WeakPolarHBondContact O-CD 3.46Å; V291-F301 HydrophobicContact CB-CD1 4.36Å; V291-F301 HydrophobicContact CB-CE1 4.1Å; V291-F301 HydrophobicContact CG1-CD1 3.89Å; V291-F301 HydrophobicContact CG1-CE1 3.37Å; V291-F301 HydrophobicContact CG1-CE2 4.12Å; V291-F301 HydrophobicContact CG1-CG 4.43Å; V291-F301 HydrophobicContact CG1-CZ 3.49Å; V291-F301 VanDerWaalsContact CG1-CZ 3.49Å; V291-F301 HydrophobicContact CG2-CD1 3.6Å; V291-F301 HydrophobicContact CG2-CE1 3.51Å; V291-F301 HydrophobicContact CG2-CZ 4.46Å; V291-Y351 HydrophobicContact CB-CE1 4.23Å; V291-Y351 PolarHBondContact N-OH 3.09Å; V291-Y351 WeakPolarHBondContact O-CE1 3.48Å; V291-Y351 PolarHBondContact O-OH 3.31Å | ||
| 292 | D | 58.3 | Low | 71.3 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | trans | -67.2 | 121.1 | 170.1 | 179 | -10.4 | 0 | 0 | 0 | 109.9 | L294 S295 F296 R761 Q781 | D292-L294 PolarHBondContact O-N 2.95Å; D292-L294 VanDerWaalsContact O-N 3.07Å; D292-L294 WeakPolarHBondContact OD1-CB 3.29Å; D292-L294 PolarHBondContact OD1-N 3.31Å; D292-S295 WeakPolarHBondContact O-CA 3.44Å; D292-S295 PolarHBondContact O-N 3.38Å; D292-S295 PolarHBondContact O-OG 2.91Å; D292-F296 PolarHBondContact O-N 3.43Å; D292-F296 VanDerWaalsContact O-N 3.15Å; D292-R761 IonicContact OD2-CZ 2.9Å; D292-R761 IonicContact OD2-NH1 3.33Å; D292-R761 PolarHBondContact OD2-NH1 2.69Å; D292-R761 IonicContact OD2-NH2 3.77Å; D292-Q781 HydrophobicContact CB-CG 4.44Å | ||
| 293 | P | 59.2 | Low | 71.1 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24.9 | -178.2 | -24.2 | 32.6 | 0 | 0 | 0 | 114.9 | V291 S295 Y351 R360 L364 | V291-P293 WeakPolarHBondContact O-CD 3.46Å; P293-S295 VanDerWaalsContact C-N 3.32Å; P293-Y351 HydrophobicContact CG-CE1 4.5Å; P293-R360 HydrophobicContact CG-CG 3.58Å; P293-L364 HydrophobicContact CG-CD2 3.94Å |
| 294 | L | 55.1 | Low | 71.2 | Confident | 89 Ų | 89 | 57 Ų | 57 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -24.8 | 175.9 | -68.2 | 169.2 | 0 | 0 | 0 | 113 | D292 R357 K358 | D292-L294 PolarHBondContact O-N 2.95Å; D292-L294 VanDerWaalsContact O-N 3.07Å; D292-L294 WeakPolarHBondContact OD1-CB 3.29Å; D292-L294 PolarHBondContact OD1-N 3.31Å; L294-R357 WeakPolarHBondContact CD2-O 3.46Å; L294-K358 HydrophobicContact CD1-CG 4.07Å |
| 295 | S | 59.9 | Low | 71.6 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -7.5 | 178.9 | 67 | 0 | 0 | 0 | 0 | 113 | D292 P293 S297 F301 | D292-S295 WeakPolarHBondContact O-CA 3.44Å; D292-S295 PolarHBondContact O-N 3.38Å; D292-S295 PolarHBondContact O-OG 2.91Å; P293-S295 VanDerWaalsContact C-N 3.32Å; S295-S297 PolarHBondContact O-N 3.44Å; S295-F301 WeakPolarHBondContact O-CE2 3.29Å |
| 296 | F | 65.3 | Low | 71.9 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | trans | -65.7 | 118.2 | 178.6 | 179.3 | -95.9 | 0 | 0 | 0 | 110 | D292 E298 F301 Y351 M352 | D292-F296 PolarHBondContact O-N 3.43Å; D292-F296 VanDerWaalsContact O-N 3.15Å; F296-E298 HydrophobicContact CE1-CB 4.4Å; F296-F301 HydrophobicContact CD2-CB 3.88Å; F296-F301 HydrophobicContact CD2-CD2 4.44Å; F296-F301 HydrophobicContact CD2-CG 4.2Å; F296-F301 HydrophobicContact CE2-CB 3.77Å; F296-Y351 HydrophobicContact CB-CD1 4.26Å; F296-Y351 AromaticContact CD2-CD1 3.82Å; F296-Y351 HydrophobicContact CD2-CD1 3.82Å; F296-Y351 AromaticContact CD2-CG 3.94Å; F296-Y351 HydrophobicContact CD2-CG 3.94Å; F296-Y351 HydrophobicContact CE2-CD1 4.36Å; F296-Y351 HydrophobicContact CE2-CG 4.01Å; F296-Y351 HydrophobicContact CG-CD1 4.01Å; F296-Y351 HydrophobicContact CG-CG 4.41Å; F296-M352 HydrophobicContact CE1-CG 4.43Å | ||
| 297 | S | 67.6 | Low | 72.3 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | trans | -121 | 120.7 | 169.1 | 62.4 | 0 | 0 | 0 | 0 | 108.5 | S295 E299 R300 F301 | S295-S297 PolarHBondContact O-N 3.44Å; S297-E299 VanDerWaalsContact C-N 3.26Å; S297-E299 PolarHBondContact O-N 3.4Å; S297-R300 PolarHBondContact O-N 2.89Å; S297-R300 VanDerWaalsContact OG-CB 3.24Å; S297-R300 WeakPolarHBondContact OG-CB 3.33Å; S297-F301 PolarHBondContact O-N 3.49Å | ||
| 298 | E | 69.8 | Low | 72.9 | Confident | 86 Ų | 86 | 62.3 Ų | 62.3 | 40% | 0.402 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -53.9 | -45.1 | -178.9 | -172.8 | 177.2 | -174.6 | 0 | 0 | 111.6 | F296 R300 R302 P303 | F296-E298 HydrophobicContact CE1-CB 4.4Å; E298-R300 PolarHBondContact O-N 2.99Å; E298-R302 HydrophobicContact CG-CB 4.24Å; E298-R302 VanDerWaalsContact O-CB 3.26Å; E298-R302 WeakPolarHBondContact O-CB 3.24Å; E298-R302 PolarHBondContact O-N 3.38Å; E298-R302 IonicContact OE1-NH1 2.9Å; E298-R302 PolarHBondContact OE1-NH1 3.22Å; E298-P303 VanDerWaalsContact O-CD 3.3Å; E298-P303 WeakPolarHBondContact O-CD 3.29Å |
| 299 | E | 72.5 | Confident | 73.9 | Confident | 189 Ų | 189 | 59.9 Ų | 59.9 | 88% | 0.883 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58 | -21.6 | -179.4 | -63.8 | -175.9 | 173.5 | 0 | 0 | 114.7 | S297 P303 | S297-E299 VanDerWaalsContact C-N 3.26Å; S297-E299 PolarHBondContact O-N 3.4Å; E299-P303 VanDerWaalsContact O-CG 3.3Å; E299-P303 WeakPolarHBondContact O-CG 3.32Å |
| 300 | R | 70.1 | Confident | 74.7 | Confident | 182 Ų | 182 | 63.8 Ų | 63.8 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -111 | -46.2 | -177.3 | -166.4 | -177.2 | 178.8 | -166.2 | -0.9 | 112.8 | S297 E298 S304 | S297-R300 PolarHBondContact O-N 2.89Å; S297-R300 VanDerWaalsContact OG-CB 3.24Å; S297-R300 WeakPolarHBondContact OG-CB 3.33Å; E298-R300 PolarHBondContact O-N 2.99Å; R300-S304 WeakPolarHBondContact O-CB 3.3Å; R300-S304 PolarHBondContact O-N 2.98Å; R300-S304 PolarHBondContact O-OG 3.32Å |
| 301 | F | 71.5 | Confident | 75.6 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 18% | 0.18 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -80.8 | -41 | -170.4 | -80 | -85.1 | 0 | 0 | 0 | 112.3 | V291 S295 F296 S297 S304 L305 | V291-F301 HydrophobicContact CB-CD1 4.36Å; V291-F301 HydrophobicContact CB-CE1 4.1Å; V291-F301 HydrophobicContact CG1-CD1 3.89Å; V291-F301 HydrophobicContact CG1-CE1 3.37Å; V291-F301 HydrophobicContact CG1-CE2 4.12Å; V291-F301 HydrophobicContact CG1-CG 4.43Å; V291-F301 HydrophobicContact CG1-CZ 3.49Å; V291-F301 VanDerWaalsContact CG1-CZ 3.49Å; V291-F301 HydrophobicContact CG2-CD1 3.6Å; V291-F301 HydrophobicContact CG2-CE1 3.51Å; V291-F301 HydrophobicContact CG2-CZ 4.46Å; S295-F301 WeakPolarHBondContact O-CE2 3.29Å; F296-F301 HydrophobicContact CD2-CB 3.88Å; F296-F301 HydrophobicContact CD2-CD2 4.44Å; F296-F301 HydrophobicContact CD2-CG 4.2Å; F296-F301 HydrophobicContact CE2-CB 3.77Å; S297-F301 PolarHBondContact O-N 3.49Å; F301-S304 PolarHBondContact O-N 3.31Å; F301-S304 PolarHBondContact O-OG 2.96Å; F301-L305 WeakPolarHBondContact O-CG 3.45Å; F301-L305 PolarHBondContact O-N 2.91Å |
| 302 | R | 82 | Confident | 76.9 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 25% | 0.253 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.6 | -57.7 | 178.6 | -177.6 | 173 | -165.9 | 154.5 | 10.1 | 112.5 | E298 S304 L305 E306 L348 | E298-R302 HydrophobicContact CG-CB 4.24Å; E298-R302 VanDerWaalsContact O-CB 3.26Å; E298-R302 WeakPolarHBondContact O-CB 3.24Å; E298-R302 PolarHBondContact O-N 3.38Å; E298-R302 IonicContact OE1-NH1 2.9Å; E298-R302 PolarHBondContact OE1-NH1 3.22Å; R302-S304 VanDerWaalsContact C-N 3.25Å; R302-S304 PolarHBondContact O-N 3.18Å; R302-L305 PolarHBondContact O-N 2.99Å; R302-E306 HydrophobicContact CG-CG 4.46Å; R302-E306 IonicContact NE-OE1 2.7Å; R302-E306 PolarHBondContact NE-OE1 2.96Å; R302-E306 WeakPolarHBondContact O-CB 3.33Å; R302-E306 WeakPolarHBondContact O-CG 3.26Å; R302-E306 PolarHBondContact O-N 3.49Å; R302-L348 HydrophobicContact CB-CD2 4.18Å; R302-L348 HydrophobicContact CG-CD1 4.02Å; R302-L348 HydrophobicContact CG-CD2 4.24Å |
| 303 | P | 81.2 | Confident | 78.7 | Confident | 61 Ų | 61 | 65 Ų | 65 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 179.3 | 23.1 | -32.8 | 0 | 0 | 0 | 112 | E298 E299 E307 | E298-P303 VanDerWaalsContact O-CD 3.3Å; E298-P303 WeakPolarHBondContact O-CD 3.29Å; E299-P303 VanDerWaalsContact O-CG 3.3Å; E299-P303 WeakPolarHBondContact O-CG 3.32Å; P303-E307 WeakPolarHBondContact O-CB 3.47Å; P303-E307 PolarHBondContact O-N 2.95Å |
| 304 | S | 80.3 | Confident | 80.2 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 179.4 | 81 | 0 | 0 | 0 | 0 | 113.8 | R300 F301 R302 R308 | R300-S304 WeakPolarHBondContact O-CB 3.3Å; R300-S304 PolarHBondContact O-N 2.98Å; R300-S304 PolarHBondContact O-OG 3.32Å; F301-S304 PolarHBondContact O-N 3.31Å; F301-S304 PolarHBondContact O-OG 2.96Å; R302-S304 VanDerWaalsContact C-N 3.25Å; R302-S304 PolarHBondContact O-N 3.18Å; S304-R308 WeakPolarHBondContact O-CB 3.36Å; S304-R308 WeakPolarHBondContact O-CD 3.34Å; S304-R308 WeakPolarHBondContact O-CG 3.41Å; S304-R308 PolarHBondContact O-N 2.9Å |
| 305 | L | 85.2 | Confident | 81.9 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -76.8 | -38.9 | 179.3 | -70.1 | 175.1 | 0 | 0 | 0 | 110.5 | F285 Q288 I289 F301 R302 R308 L309 L344 L348 | F285-L305 HydrophobicContact CE2-CD2 4.24Å; F285-L305 WeakPolarHBondContact CE2-O 3.45Å; Q288-L305 HydrophobicContact CB-CD2 4.3Å; I289-L305 HydrophobicContact CG2-CD2 4.32Å; F301-L305 WeakPolarHBondContact O-CG 3.45Å; F301-L305 PolarHBondContact O-N 2.91Å; R302-L305 PolarHBondContact O-N 2.99Å; L305-R308 PolarHBondContact O-N 3.4Å; L305-L309 WeakPolarHBondContact O-CB 3.28Å; L305-L309 PolarHBondContact O-N 3.26Å; L305-L344 HydrophobicContact CB-CD1 4.12Å; L305-L344 HydrophobicContact CB-CD2 4.38Å; L305-L344 HydrophobicContact CD1-CD1 4.37Å; L305-L348 HydrophobicContact CD1-CD2 4.3Å |
| 306 | E | 91 | Very high | 83.6 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 175 | -71.3 | 172.1 | 161.7 | 0 | 0 | 111.2 | R302 R308 L309 E310 L344 Q345 L348 | R302-E306 HydrophobicContact CG-CG 4.46Å; R302-E306 IonicContact NE-OE1 2.7Å; R302-E306 PolarHBondContact NE-OE1 2.96Å; R302-E306 WeakPolarHBondContact O-CB 3.33Å; R302-E306 WeakPolarHBondContact O-CG 3.26Å; R302-E306 PolarHBondContact O-N 3.49Å; E306-R308 PolarHBondContact O-N 3.46Å; E306-L309 PolarHBondContact O-N 3.14Å; E306-E310 WeakPolarHBondContact O-CG 3.11Å; E306-E310 PolarHBondContact O-N 3.24Å; E306-L344 HydrophobicContact CG-CD2 4.27Å; E306-Q345 PolarHBondContact OE1-NE2 3.46Å; E306-L348 HydrophobicContact CG-CD1 4.21Å |
| 307 | E | 87.7 | Confident | 84.9 | Confident | 148 Ų | 148 | 62.9 Ų | 62.9 | 69% | 0.692 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.1 | -43.4 | 177.5 | -175.1 | -176.6 | -178.6 | 0 | 0 | 112.2 | P303 E310 S311 | P303-E307 WeakPolarHBondContact O-CB 3.47Å; P303-E307 PolarHBondContact O-N 2.95Å; E307-E310 PolarHBondContact O-N 3.34Å; E307-S311 PolarHBondContact O-N 2.9Å |
| 308 | R | 86.2 | Confident | 86 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 177.4 | -73.5 | 175.6 | -171.8 | -66.2 | 0.5 | 112.5 | N284 F285 Q288 S304 L305 E306 S311 I312 | N284-R308 PolarHBondContact ND2-NH1 2.98Å; F285-R308 HydrophobicContact CD2-CB 3.9Å; F285-R308 HydrophobicContact CE2-CB 4.45Å; Q288-R308 VanDerWaalsContact OE1-CZ 3.26Å; S304-R308 WeakPolarHBondContact O-CB 3.36Å; S304-R308 WeakPolarHBondContact O-CD 3.34Å; S304-R308 WeakPolarHBondContact O-CG 3.41Å; S304-R308 PolarHBondContact O-N 2.9Å; L305-R308 PolarHBondContact O-N 3.4Å; E306-R308 PolarHBondContact O-N 3.46Å; R308-S311 WeakPolarHBondContact O-CB 3.33Å; R308-S311 PolarHBondContact O-N 3.41Å; R308-I312 WeakPolarHBondContact O-CG1 3.26Å; R308-I312 PolarHBondContact O-N 3.39Å; R308-I312 VanDerWaalsContact O-N 3.07Å |
| 309 | L | 94.3 | Very high | 87.1 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -42 | 177.4 | -174.9 | 61.7 | 0 | 0 | 0 | 110.9 | F285 L305 E306 S311 I312 I313 V340 R341 L344 | F285-L309 HydrophobicContact CE1-CD1 4.47Å; F285-L309 HydrophobicContact CE2-CB 3.84Å; F285-L309 HydrophobicContact CE2-CD1 4.4Å; F285-L309 HydrophobicContact CZ-CB 4.18Å; F285-L309 HydrophobicContact CZ-CD1 4.13Å; L305-L309 WeakPolarHBondContact O-CB 3.28Å; L305-L309 PolarHBondContact O-N 3.26Å; E306-L309 PolarHBondContact O-N 3.14Å; L309-S311 VanDerWaalsContact C-N 3.28Å; L309-S311 PolarHBondContact O-N 3.39Å; L309-I312 WeakPolarHBondContact O-CB 3.3Å; L309-I312 PolarHBondContact O-N 2.96Å; L309-I312 VanDerWaalsContact O-N 3.12Å; L309-I313 HydrophobicContact CD1-CD1 4.49Å; L309-I313 HydrophobicContact CD2-CD1 4.45Å; L309-I313 HydrophobicContact CG-CD1 3.97Å; L309-I313 HydrophobicContact CG-CG1 4.43Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 2.87Å; L309-V340 HydrophobicContact CD1-CB 4.5Å; L309-V340 HydrophobicContact CD1-CG1 3.9Å; L309-V340 HydrophobicContact CD1-CG2 3.79Å; L309-V340 HydrophobicContact CD2-CG1 4.46Å; L309-R341 HydrophobicContact CD2-CB 4.46Å; L309-L344 HydrophobicContact CB-CD2 3.93Å; L309-L344 HydrophobicContact CD2-CB 3.81Å; L309-L344 HydrophobicContact CD2-CD2 3.48Å; L309-L344 VanDerWaalsContact CD2-CD2 3.48Å; L309-L344 HydrophobicContact CD2-CG 4.27Å; L309-L344 HydrophobicContact CG-CD2 4.34Å |
| 310 | E | 94.2 | Very high | 88.1 | Confident | 81 Ų | 81 | 53.6 Ų | 53.6 | 38% | 0.379 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.1 | -30.9 | 175.9 | -70.2 | -58.2 | 149.6 | 0 | 0 | 112.3 | E306 E307 I313 S314 R341 | E306-E310 WeakPolarHBondContact O-CG 3.11Å; E306-E310 PolarHBondContact O-N 3.24Å; E307-E310 PolarHBondContact O-N 3.34Å; E310-I313 PolarHBondContact O-N 3.07Å; E310-S314 WeakPolarHBondContact O-CB 3.48Å; E310-S314 PolarHBondContact O-N 3Å; E310-S314 PolarHBondContact O-OG 3.45Å; E310-R341 IonicContact OE1-CZ 2.62Å; E310-R341 IonicContact OE1-NE 3.87Å; E310-R341 PolarHBondContact OE1-NE 3.12Å; E310-R341 IonicContact OE1-NH2 2.69Å; E310-R341 PolarHBondContact OE1-NH2 3.24Å; E310-R341 IonicContact OE2-NH2 2.72Å |
| 311 | S | 90.2 | Very high | 89.2 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 169.2 | 177.7 | 0 | 0 | 0 | 0 | 112.4 | E307 R308 L309 S314 G315 | E307-S311 PolarHBondContact O-N 2.9Å; R308-S311 WeakPolarHBondContact O-CB 3.33Å; R308-S311 PolarHBondContact O-N 3.41Å; L309-S311 VanDerWaalsContact C-N 3.28Å; L309-S311 PolarHBondContact O-N 3.39Å; S311-S314 PolarHBondContact O-N 3.11Å; S311-G315 PolarHBondContact O-N 2.96Å; S311-G315 VanDerWaalsContact O-N 3.11Å |
| 312 | I | 92.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 173.9 | -70.4 | 163.2 | 0 | 0 | 0 | 110.7 | L278 A281 L282 F285 R308 L309 S314 G315 A316 L378 | L278-I312 HydrophobicContact CD1-CB 4.35Å; L278-I312 HydrophobicContact CD1-CG2 4.05Å; A281-I312 HydrophobicContact CB-CG1 3.82Å; L282-I312 HydrophobicContact CD2-CD1 4.17Å; L282-I312 HydrophobicContact CD2-CG1 4.46Å; L282-I312 HydrophobicContact CD2-CG2 3.59Å; L282-I312 HydrophobicContact CG-CD1 4.46Å; L282-I312 HydrophobicContact CG-CG1 4.45Å; L282-I312 HydrophobicContact CG-CG2 4.07Å; F285-I312 HydrophobicContact CB-CD1 3.56Å; F285-I312 HydrophobicContact CD1-CD1 4.4Å; F285-I312 HydrophobicContact CD2-CD1 4.11Å; F285-I312 HydrophobicContact CG-CD1 3.77Å; R308-I312 WeakPolarHBondContact O-CG1 3.26Å; R308-I312 PolarHBondContact O-N 3.39Å; R308-I312 VanDerWaalsContact O-N 3.07Å; L309-I312 WeakPolarHBondContact O-CB 3.3Å; L309-I312 PolarHBondContact O-N 2.96Å; L309-I312 VanDerWaalsContact O-N 3.12Å; I312-S314 VanDerWaalsContact C-N 3.31Å; I312-S314 PolarHBondContact O-N 3.31Å; I312-G315 PolarHBondContact O-N 3.14Å; I312-A316 WeakPolarHBondContact O-CB 3.19Å; I312-A316 PolarHBondContact O-N 2.85Å; I312-L378 HydrophobicContact CG2-CD2 3.95Å |
| 313 | I | 95.9 | Very high | 90.6 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | 179.9 | -68.6 | 173.6 | 0 | 0 | 0 | 110.7 | L309 E310 G315 A316 A317 C337 V340 R341 | L309-I313 HydrophobicContact CD1-CD1 4.49Å; L309-I313 HydrophobicContact CD2-CD1 4.45Å; L309-I313 HydrophobicContact CG-CD1 3.97Å; L309-I313 HydrophobicContact CG-CG1 4.43Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 2.87Å; E310-I313 PolarHBondContact O-N 3.07Å; I313-G315 VanDerWaalsContact C-N 3.35Å; I313-G315 PolarHBondContact O-N 3.48Å; I313-A316 PolarHBondContact O-N 3.34Å; I313-A317 WeakPolarHBondContact O-CB 3.5Å; I313-A317 PolarHBondContact O-N 2.87Å; I313-C337 HydrophobicContact CG1-CB 4.35Å; I313-C337 HydrophobicContact CG2-CB 4.31Å; I313-V340 HydrophobicContact CD1-CG1 4.38Å; I313-R341 HydrophobicContact CD1-CB 4.47Å |
| 314 | S | 92.3 | Very high | 91 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | E310 S311 I312 A317 L318 | E310-S314 WeakPolarHBondContact O-CB 3.48Å; E310-S314 PolarHBondContact O-N 3Å; E310-S314 PolarHBondContact O-OG 3.45Å; S311-S314 PolarHBondContact O-N 3.11Å; I312-S314 VanDerWaalsContact C-N 3.31Å; I312-S314 PolarHBondContact O-N 3.31Å; S314-A317 PolarHBondContact O-N 3.36Å; S314-L318 PolarHBondContact O-N 3.06Å |
| 315 | G | 89.9 | Confident | 91.5 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | S311 I312 I313 A317 L318 | S311-G315 PolarHBondContact O-N 2.96Å; S311-G315 VanDerWaalsContact O-N 3.11Å; I312-G315 PolarHBondContact O-N 3.14Å; I313-G315 VanDerWaalsContact C-N 3.35Å; I313-G315 PolarHBondContact O-N 3.48Å; G315-A317 VanDerWaalsContact C-N 3.33Å; G315-L318 PolarHBondContact O-N 3.23Å |
| 316 | A | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I312 I313 M319 A320 I333 L378 L382 | I312-A316 WeakPolarHBondContact O-CB 3.19Å; I312-A316 PolarHBondContact O-N 2.85Å; I313-A316 PolarHBondContact O-N 3.34Å; A316-M319 PolarHBondContact O-N 3.3Å; A316-A320 PolarHBondContact O-N 3.08Å; A316-I333 HydrophobicContact CB-CG2 4.14Å; A316-L378 HydrophobicContact CB-CD1 4.46Å; A316-L382 HydrophobicContact CB-CD1 4.49Å; A316-L382 HydrophobicContact CB-CD2 3.72Å |
| 317 | A | 92.9 | Very high | 91.8 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 28% | 0.281 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | I313 S314 G315 M319 A320 D321 | I313-A317 WeakPolarHBondContact O-CB 3.5Å; I313-A317 PolarHBondContact O-N 2.87Å; S314-A317 PolarHBondContact O-N 3.36Å; G315-A317 VanDerWaalsContact C-N 3.33Å; A317-M319 PolarHBondContact O-N 3.08Å; A317-A320 PolarHBondContact O-N 3.45Å; A317-D321 VanDerWaalsContact O-CB 3.32Å; A317-D321 WeakPolarHBondContact O-CB 3.48Å; A317-D321 PolarHBondContact O-N 3.11Å |
| 318 | L | 90.8 | Very high | 91.8 | Very high | 127 Ų | 127 | 48.3 Ų | 48.3 | 67% | 0.665 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -55.8 | -36.4 | 173.5 | -68.8 | 174.1 | 0 | 0 | 0 | 112.4 | S314 G315 S322 | S314-L318 PolarHBondContact O-N 3.06Å; G315-L318 PolarHBondContact O-N 3.23Å; L318-S322 PolarHBondContact O-N 2.58Å |
| 319 | M | 92.9 | Very high | 92 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -77.1 | -37.3 | 175.4 | -172.3 | 145.1 | 59.3 | 0 | 0 | 112.6 | A316 A317 T325 L382 A385 V386 L436 I440 | A316-M319 PolarHBondContact O-N 3.3Å; A317-M319 PolarHBondContact O-N 3.08Å; M319-T325 PolarHBondContact O-OG1 3.38Å; M319-L382 VanDerWaalsContact CE-CA 3.41Å; M319-L382 HydrophobicContact CE-CB 3.35Å; M319-L382 HydrophobicContact CE-CD2 3.2Å; M319-L382 HydrophobicContact CE-CG 3.79Å; M319-L382 VanDerWaalsContact CE-O 3.28Å; M319-L382 WeakPolarHBondContact CE-O 3.45Å; M319-A385 HydrophobicContact CE-CB 4.32Å; M319-A385 HydrophobicContact CG-CB 3.98Å; M319-A385 HydrophobicContact SD-CB 3.99Å; M319-V386 HydrophobicContact CE-CG2 4.25Å; M319-V386 HydrophobicContact SD-CG2 3.42Å; M319-V386 WeakPolarHBondContact SD-CG2 3.48Å; M319-L436 HydrophobicContact CB-CD2 4.28Å; M319-L436 HydrophobicContact CG-CD2 4.49Å; M319-I440 HydrophobicContact CE-CG2 4.13Å |
| 320 | A | 93.9 | Very high | 92 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A316 A317 R330 I333 | A316-A320 PolarHBondContact O-N 3.08Å; A317-A320 PolarHBondContact O-N 3.45Å; A320-R330 HydrophobicContact CB-CG 4.17Å; A320-R330 WeakPolarHBondContact O-CD 3.37Å; A320-R330 WeakPolarHBondContact O-CG 3.4Å; A320-I333 HydrophobicContact CB-CB 4.15Å; A320-I333 HydrophobicContact CB-CD1 4.13Å; A320-I333 HydrophobicContact CB-CG2 3.98Å |
| 321 | D | 92.8 | Very high | 92 | Very high | 120 Ų | 120 | 51.1 Ų | 51.1 | 64% | 0.642 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -91.7 | -1.2 | -176.2 | -63.7 | -29.1 | 0 | 0 | 0 | 113.3 | A317 | A317-D321 VanDerWaalsContact O-CB 3.32Å; A317-D321 WeakPolarHBondContact O-CB 3.48Å; A317-D321 PolarHBondContact O-N 3.11Å |
| 322 | S | 93.1 | Very high | 92 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -60.2 | 142.5 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 111 | L318 C324 T325 E432 | L318-S322 PolarHBondContact O-N 2.58Å; S322-C324 PolarHBondContact O-N 3.32Å; S322-C324 VanDerWaalsContact O-N 3.13Å; S322-C324 PolarHBondContact OG-N 2.86Å; S322-T325 WeakPolarHBondContact CB-OG1 3.34Å; S322-T325 WeakPolarHBondContact O-CB 3.42Å; S322-T325 PolarHBondContact O-N 3.03Å; S322-T325 PolarHBondContact O-OG1 3.18Å; S322-E432 WeakPolarHBondContact CB-OE1 3.37Å; S322-E432 PolarHBondContact OG-OE1 2.89Å |
| 323 | S | 90.1 | Very high | 92 | Very high | 93 Ų | 93 | 51.5 Ų | 51.5 | 65% | 0.65 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.9 | 178.7 | 67.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 324 | C | 88.9 | Confident | 92 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 14% | 0.142 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -7.4 | 178.6 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | S322 H389 V433 | S322-C324 PolarHBondContact O-N 3.32Å; S322-C324 VanDerWaalsContact O-N 3.13Å; S322-C324 PolarHBondContact OG-N 2.86Å; C324-H389 WeakPolarHBondContact CB-CD2 3.41Å; C324-H389 PolarHBondContact O-CD2 3.29Å; C324-V433 HydrophobicContact CB-CG2 4.47Å |
| 325 | T | 91.9 | Very high | 92.1 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 9% | 0.086 | 29% | 0.293 | C | S | . | . | trans | -81.4 | 128.5 | -174.4 | -56 | 0 | 0 | 0 | 0 | 111.6 | M319 S322 R329 R330 H389 | M319-T325 PolarHBondContact O-OG1 3.38Å; S322-T325 WeakPolarHBondContact CB-OG1 3.34Å; S322-T325 WeakPolarHBondContact O-CB 3.42Å; S322-T325 PolarHBondContact O-N 3.03Å; S322-T325 PolarHBondContact O-OG1 3.18Å; T325-R329 HydrophobicContact CG2-CB 4.23Å; T325-R329 HydrophobicContact CG2-CG 4.28Å; T325-R330 HydrophobicContact CG2-CB 4.27Å; T325-H389 WeakPolarHBondContact CA-NE2 3.33Å; T325-H389 PolarHBondContact N-NE2 3.31Å; T325-H389 PolarHBondContact OG1-CE1 2.79Å; T325-H389 VanDerWaalsContact OG1-CE1 3.28Å; T325-H389 PolarHBondContact OG1-NE2 2.7Å | ||
| 326 | R | 91.3 | Very high | 92.4 | Very high | 57 Ų | 57 | 53.9 Ų | 53.9 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | trans | -66.6 | 143.3 | 175.1 | -56 | -178.7 | 60.6 | 140.3 | 11.4 | 110.9 | D328 R329 R330 H518 E521 | R326-D328 VanDerWaalsContact C-N 3.33Å; R326-D328 WeakPolarHBondContact CB-OD1 3.37Å; R326-D328 IonicContact NE-OD1 3.94Å; R326-D328 PolarHBondContact O-N 3.43Å; R326-R329 HydrophobicContact CB-CB 4.39Å; R326-R329 WeakPolarHBondContact O-CB 3.25Å; R326-R329 PolarHBondContact O-N 3.13Å; R326-R329 VanDerWaalsContact O-N 3.1Å; R326-R330 PolarHBondContact O-N 3.42Å; R326-H518 PolarHBondContact NH1-CD2 2.95Å; R326-H518 PolarHBondContact NH1-NE2 2.91Å; R326-E521 IonicContact CZ-OE1 3.23Å; R326-E521 IonicContact CZ-OE2 3.56Å; R326-E521 VanDerWaalsContact CZ-OE2 3.25Å; R326-E521 IonicContact NH1-OE2 3.52Å; R326-E521 PolarHBondContact NH1-OE2 3.01Å; R326-E521 IonicContact NH2-OE1 3.51Å; R326-E521 PolarHBondContact NH2-OE1 3.11Å; R326-E521 IonicContact NH2-OE2 3Å; R326-E521 PolarHBondContact NH2-OE2 3.2Å | ||
| 327 | D | 91.5 | Very high | 92.5 | Very high | 99 Ų | 99 | 54.3 Ų | 54.3 | 53% | 0.529 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | -174.9 | -70.2 | -34.3 | 0 | 0 | 0 | 112.6 | R329 R330 E331 | D327-R329 VanDerWaalsContact C-N 3.34Å; D327-R329 PolarHBondContact O-N 3.03Å; D327-R330 VanDerWaalsContact CG-NH2 3.34Å; D327-R330 WeakPolarHBondContact O-CB 3.37Å; D327-R330 PolarHBondContact O-N 3.37Å; D327-R330 IonicContact OD1-CZ 3.77Å; D327-R330 IonicContact OD1-NH1 3.41Å; D327-R330 PolarHBondContact OD1-NH1 3.28Å; D327-R330 IonicContact OD1-NH2 2.83Å; D327-R330 PolarHBondContact OD1-NH2 2.65Å; D327-E331 PolarHBondContact O-N 2.78Å; D327-E331 VanDerWaalsContact O-N 3.09Å |
| 328 | D | 87.8 | Confident | 92.6 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 176.7 | 69 | -57.9 | 0 | 0 | 0 | 112 | R326 R332 | R326-D328 VanDerWaalsContact C-N 3.33Å; R326-D328 WeakPolarHBondContact CB-OD1 3.37Å; R326-D328 IonicContact NE-OD1 3.94Å; R326-D328 PolarHBondContact O-N 3.43Å; D328-R332 WeakPolarHBondContact O-CG 3.4Å; D328-R332 PolarHBondContact O-N 2.92Å; D328-R332 IonicContact OD2-CZ 2.98Å; D328-R332 IonicContact OD2-NH2 2.62Å; D328-R332 PolarHBondContact OD2-NH2 3.3Å |
| 329 | R | 90.1 | Very high | 92.8 | Very high | 15 Ų | 15 | 52.2 Ų | 52.2 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.8 | -42.4 | 174.9 | -175.7 | 66.3 | 66.2 | -156 | -6.5 | 111.3 | T325 R326 D327 E331 R332 I333 A385 D388 | T325-R329 HydrophobicContact CG2-CB 4.23Å; T325-R329 HydrophobicContact CG2-CG 4.28Å; R326-R329 HydrophobicContact CB-CB 4.39Å; R326-R329 WeakPolarHBondContact O-CB 3.25Å; R326-R329 PolarHBondContact O-N 3.13Å; R326-R329 VanDerWaalsContact O-N 3.1Å; D327-R329 VanDerWaalsContact C-N 3.34Å; D327-R329 PolarHBondContact O-N 3.03Å; R329-E331 VanDerWaalsContact C-N 3.32Å; R329-E331 PolarHBondContact O-N 3.27Å; R329-R332 VanDerWaalsContact NH1-NH2 3.15Å; R329-R332 PolarHBondContact O-N 3.19Å; R329-I333 HydrophobicContact CG-CD1 4.07Å; R329-I333 HydrophobicContact CG-CG1 4.48Å; R329-I333 WeakPolarHBondContact O-CG1 3.41Å; R329-I333 PolarHBondContact O-N 3.11Å; R329-A385 HydrophobicContact CG-CB 3.58Å; R329-D388 IonicContact CZ-OD2 3.59Å; R329-D388 VanDerWaalsContact CZ-OD2 3.25Å; R329-D388 IonicContact NE-OD2 2.94Å; R329-D388 PolarHBondContact NE-OD2 2.94Å; R329-D388 IonicContact NH2-OD1 2.71Å; R329-D388 PolarHBondContact NH2-OD1 2.98Å; R329-D388 VanDerWaalsContact NH2-OD1 3.1Å; R329-D388 IonicContact NH2-OD2 2.78Å; R329-D388 PolarHBondContact NH2-OD2 3.5Å |
| 330 | R | 93.9 | Very high | 92.9 | Very high | 88 Ų | 88 | 52.2 Ų | 52.2 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.5 | -48.7 | 176.6 | -179.4 | 177 | 65.9 | -132.5 | -6.2 | 110.7 | A320 T325 R326 D327 R332 I333 V334 | A320-R330 HydrophobicContact CB-CG 4.17Å; A320-R330 WeakPolarHBondContact O-CD 3.37Å; A320-R330 WeakPolarHBondContact O-CG 3.4Å; T325-R330 HydrophobicContact CG2-CB 4.27Å; R326-R330 PolarHBondContact O-N 3.42Å; D327-R330 VanDerWaalsContact CG-NH2 3.34Å; D327-R330 WeakPolarHBondContact O-CB 3.37Å; D327-R330 PolarHBondContact O-N 3.37Å; D327-R330 IonicContact OD1-CZ 3.77Å; D327-R330 IonicContact OD1-NH1 3.41Å; D327-R330 PolarHBondContact OD1-NH1 3.28Å; D327-R330 IonicContact OD1-NH2 2.83Å; D327-R330 PolarHBondContact OD1-NH2 2.65Å; R330-R332 PolarHBondContact O-N 3.43Å; R330-I333 PolarHBondContact O-N 3.49Å; R330-V334 WeakPolarHBondContact O-CG2 3.45Å; R330-V334 PolarHBondContact O-N 3.29Å |
| 331 | E | 93.9 | Very high | 93.1 | Very high | 138 Ų | 138 | 55.7 Ų | 55.7 | 65% | 0.645 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.8 | -41.4 | 178 | -70.4 | -175.2 | 174 | 0 | 0 | 112.7 | D327 R329 V334 A335 | D327-E331 PolarHBondContact O-N 2.78Å; D327-E331 VanDerWaalsContact O-N 3.09Å; R329-E331 VanDerWaalsContact C-N 3.32Å; R329-E331 PolarHBondContact O-N 3.27Å; E331-V334 PolarHBondContact O-N 3.45Å; E331-A335 WeakPolarHBondContact O-CB 3.36Å; E331-A335 PolarHBondContact O-N 2.91Å |
| 332 | R | 90.6 | Very high | 93.2 | Very high | 82 Ų | 82 | 55.1 Ų | 55.1 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.1 | -74.1 | -165.6 | -69.7 | -127.4 | -12 | 113.2 | D328 R329 R330 A335 E336 | D328-R332 WeakPolarHBondContact O-CG 3.4Å; D328-R332 PolarHBondContact O-N 2.92Å; D328-R332 IonicContact OD2-CZ 2.98Å; D328-R332 IonicContact OD2-NH2 2.62Å; D328-R332 PolarHBondContact OD2-NH2 3.3Å; R329-R332 VanDerWaalsContact NH1-NH2 3.15Å; R329-R332 PolarHBondContact O-N 3.19Å; R330-R332 PolarHBondContact O-N 3.43Å; R332-A335 PolarHBondContact O-N 2.99Å; R332-E336 PolarHBondContact O-N 3.32Å |
| 333 | I | 93.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 176 | -64.1 | 166.1 | 0 | 0 | 0 | 110 | A316 A320 R329 R330 A335 E336 C337 L378 Q381 L382 A385 | A316-I333 HydrophobicContact CB-CG2 4.14Å; A320-I333 HydrophobicContact CB-CB 4.15Å; A320-I333 HydrophobicContact CB-CD1 4.13Å; A320-I333 HydrophobicContact CB-CG2 3.98Å; R329-I333 HydrophobicContact CG-CD1 4.07Å; R329-I333 HydrophobicContact CG-CG1 4.48Å; R329-I333 WeakPolarHBondContact O-CG1 3.41Å; R329-I333 PolarHBondContact O-N 3.11Å; R330-I333 PolarHBondContact O-N 3.49Å; I333-A335 VanDerWaalsContact C-N 3.32Å; I333-A335 PolarHBondContact O-N 2.97Å; I333-E336 PolarHBondContact O-N 3.41Å; I333-C337 WeakPolarHBondContact O-CB 3.32Å; I333-C337 PolarHBondContact O-N 3.4Å; I333-C337 PolarHBondContact O-SG 3.4Å; I333-C337 VanDerWaalsContact O-SG 3.36Å; I333-L378 HydrophobicContact CG2-CD1 4.43Å; I333-Q381 HydrophobicContact CG1-CB 4.32Å; I333-L382 HydrophobicContact CG2-CD2 4.19Å; I333-A385 HydrophobicContact CD1-CB 3.88Å |
| 334 | V | 95.4 | Very high | 93.5 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | R330 E331 C337 N338 | R330-V334 WeakPolarHBondContact O-CG2 3.45Å; R330-V334 PolarHBondContact O-N 3.29Å; E331-V334 PolarHBondContact O-N 3.45Å; V334-C337 PolarHBondContact O-N 2.95Å; V334-N338 PolarHBondContact O-N 3.33Å; V334-N338 PolarHBondContact O-ND2 2.7Å |
| 335 | A | 94.8 | Very high | 93.8 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 46% | 0.463 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.3 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E331 R332 I333 N338 A339 | E331-A335 WeakPolarHBondContact O-CB 3.36Å; E331-A335 PolarHBondContact O-N 2.91Å; R332-A335 PolarHBondContact O-N 2.99Å; I333-A335 VanDerWaalsContact C-N 3.32Å; I333-A335 PolarHBondContact O-N 2.97Å; A335-N338 PolarHBondContact O-N 2.98Å; A335-A339 WeakPolarHBondContact O-CB 3.48Å; A335-A339 PolarHBondContact O-N 3.32Å |
| 336 | E | 95.6 | Very high | 93.8 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 15% | 0.15 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70 | -33.4 | 177.7 | -70.6 | -59.2 | 164.1 | 0 | 0 | 112.8 | R332 I333 N338 A339 V340 K374 L378 Q381 | R332-E336 PolarHBondContact O-N 3.32Å; I333-E336 PolarHBondContact O-N 3.41Å; E336-N338 VanDerWaalsContact C-N 3.29Å; E336-N338 PolarHBondContact O-N 3.47Å; E336-A339 PolarHBondContact O-N 3.41Å; E336-V340 WeakPolarHBondContact O-CB 3.39Å; E336-V340 WeakPolarHBondContact O-CG1 3.44Å; E336-V340 PolarHBondContact O-N 2.97Å; E336-K374 IonicContact OE1-NZ 3.25Å; E336-K374 IonicContact OE2-NZ 3.64Å; E336-K374 PolarHBondContact OE2-NZ 2.98Å; E336-L378 HydrophobicContact CB-CB 4.27Å; E336-L378 HydrophobicContact CB-CD1 4.02Å; E336-Q381 HydrophobicContact CG-CG 3.88Å |
| 337 | C | 96.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 170.4 | -77.4 | 0 | 0 | 0 | 0 | 111.8 | I313 I333 V334 V340 R341 | I313-C337 HydrophobicContact CG1-CB 4.35Å; I313-C337 HydrophobicContact CG2-CB 4.31Å; I333-C337 WeakPolarHBondContact O-CB 3.32Å; I333-C337 PolarHBondContact O-N 3.4Å; I333-C337 PolarHBondContact O-SG 3.4Å; I333-C337 VanDerWaalsContact O-SG 3.36Å; V334-C337 PolarHBondContact O-N 2.95Å; C337-V340 VanDerWaalsContact O-CG1 3.23Å; C337-V340 WeakPolarHBondContact O-CG1 3.43Å; C337-R341 WeakPolarHBondContact O-CB 3.45Å; C337-R341 PolarHBondContact O-N 3.38Å |
| 338 | N | 95 | Very high | 93.5 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -71.3 | -39 | 174.5 | -68 | -29.6 | 0 | 0 | 0 | 111.9 | V334 A335 E336 R341 Q342 | V334-N338 PolarHBondContact O-N 3.33Å; V334-N338 PolarHBondContact O-ND2 2.7Å; A335-N338 PolarHBondContact O-N 2.98Å; E336-N338 VanDerWaalsContact C-N 3.29Å; E336-N338 PolarHBondContact O-N 3.47Å; N338-R341 PolarHBondContact O-N 3.1Å; N338-R341 PolarHBondContact OD1-NH1 3.48Å; N338-Q342 PolarHBondContact O-N 3.09Å |
| 339 | A | 95.4 | Very high | 93.7 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A335 E336 Q342 A343 K374 | A335-A339 WeakPolarHBondContact O-CB 3.48Å; A335-A339 PolarHBondContact O-N 3.32Å; E336-A339 PolarHBondContact O-N 3.41Å; A339-Q342 PolarHBondContact O-N 2.94Å; A339-A343 WeakPolarHBondContact O-CB 3.47Å; A339-A343 PolarHBondContact O-N 3.32Å; A339-K374 HydrophobicContact CB-CD 4.23Å |
| 340 | V | 95.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 176.1 | 75 | 0 | 0 | 0 | 0 | 111 | L309 I313 E336 C337 A343 L344 M371 K374 T375 L378 | L309-V340 HydrophobicContact CD1-CB 4.5Å; L309-V340 HydrophobicContact CD1-CG1 3.9Å; L309-V340 HydrophobicContact CD1-CG2 3.79Å; L309-V340 HydrophobicContact CD2-CG1 4.46Å; I313-V340 HydrophobicContact CD1-CG1 4.38Å; E336-V340 WeakPolarHBondContact O-CB 3.39Å; E336-V340 WeakPolarHBondContact O-CG1 3.44Å; E336-V340 PolarHBondContact O-N 2.97Å; C337-V340 VanDerWaalsContact O-CG1 3.23Å; C337-V340 WeakPolarHBondContact O-CG1 3.43Å; V340-A343 PolarHBondContact O-N 3.35Å; V340-L344 PolarHBondContact O-N 3.43Å; V340-M371 HydrophobicContact CB-CE 4.34Å; V340-M371 HydrophobicContact CG2-CE 3.21Å; V340-M371 WeakPolarHBondContact O-CE 3.32Å; V340-K374 HydrophobicContact CB-CB 4.41Å; V340-K374 HydrophobicContact CG2-CB 4.42Å; V340-T375 HydrophobicContact CG2-CG2 3.95Å; V340-L378 HydrophobicContact CG1-CD2 4.13Å |
| 341 | R | 96.3 | Very high | 92.8 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.9 | -46 | 174.3 | -167.9 | -179.2 | -67.1 | 110.1 | -9.4 | 111.6 | L309 E310 I313 C337 N338 L344 Q345 | L309-R341 HydrophobicContact CD2-CB 4.46Å; E310-R341 IonicContact OE1-CZ 2.62Å; E310-R341 IonicContact OE1-NE 3.87Å; E310-R341 PolarHBondContact OE1-NE 3.12Å; E310-R341 IonicContact OE1-NH2 2.69Å; E310-R341 PolarHBondContact OE1-NH2 3.24Å; E310-R341 IonicContact OE2-NH2 2.72Å; I313-R341 HydrophobicContact CD1-CB 4.47Å; C337-R341 WeakPolarHBondContact O-CB 3.45Å; C337-R341 PolarHBondContact O-N 3.38Å; N338-R341 PolarHBondContact O-N 3.1Å; N338-R341 PolarHBondContact OD1-NH1 3.48Å; R341-L344 PolarHBondContact O-N 3.01Å; R341-Q345 WeakPolarHBondContact O-CG 3.48Å; R341-Q345 PolarHBondContact O-N 3.43Å |
| 342 | Q | 96.1 | Very high | 92.2 | Very high | 108 Ų | 108 | 42.6 Ų | 42.6 | 51% | 0.505 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.1 | -43 | 176.7 | -173.4 | 59.1 | 51.5 | 0 | 0 | 111.8 | N338 A339 L344 Q345 D346 | N338-Q342 PolarHBondContact O-N 3.09Å; A339-Q342 PolarHBondContact O-N 2.94Å; Q342-L344 PolarHBondContact O-N 3.42Å; Q342-Q345 PolarHBondContact O-N 2.96Å; Q342-Q345 VanDerWaalsContact O-N 3.13Å; Q342-D346 PolarHBondContact NE2-OD1 3.24Å; Q342-D346 VanDerWaalsContact O-CG 3.28Å; Q342-D346 PolarHBondContact O-N 3.33Å |
| 343 | A | 94.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -35.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A339 V340 L347 M371 K374 | A339-A343 WeakPolarHBondContact O-CB 3.47Å; A339-A343 PolarHBondContact O-N 3.32Å; V340-A343 PolarHBondContact O-N 3.35Å; A343-L347 WeakPolarHBondContact O-CB 3.36Å; A343-L347 PolarHBondContact O-N 3.39Å; A343-M371 HydrophobicContact CB-CE 4.15Å; A343-M371 HydrophobicContact CB-SD 4.03Å; A343-K374 HydrophobicContact CB-CB 4.16Å; A343-K374 HydrophobicContact CB-CG 4.06Å |
| 344 | L | 94.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -41.6 | 174.8 | 179.8 | 61 | 0 | 0 | 0 | 111.9 | F285 L305 E306 L309 V340 R341 Q342 D346 L347 L348 M371 | F285-L344 HydrophobicContact CZ-CD1 4.26Å; F285-L344 HydrophobicContact CZ-CD2 4.43Å; L305-L344 HydrophobicContact CB-CD1 4.12Å; L305-L344 HydrophobicContact CB-CD2 4.38Å; L305-L344 HydrophobicContact CD1-CD1 4.37Å; E306-L344 HydrophobicContact CG-CD2 4.27Å; L309-L344 HydrophobicContact CB-CD2 3.93Å; L309-L344 HydrophobicContact CD2-CB 3.81Å; L309-L344 HydrophobicContact CD2-CD2 3.48Å; L309-L344 VanDerWaalsContact CD2-CD2 3.48Å; L309-L344 HydrophobicContact CD2-CG 4.27Å; L309-L344 HydrophobicContact CG-CD2 4.34Å; V340-L344 PolarHBondContact O-N 3.43Å; R341-L344 PolarHBondContact O-N 3.01Å; Q342-L344 PolarHBondContact O-N 3.42Å; L344-D346 VanDerWaalsContact C-N 3.34Å; L344-L347 HydrophobicContact CD1-CD2 4.44Å; L344-L347 WeakPolarHBondContact O-CB 3.47Å; L344-L347 PolarHBondContact O-N 3.48Å; L344-L348 HydrophobicContact CD1-CD1 4.22Å; L344-L348 HydrophobicContact CD1-CG 4.11Å; L344-L348 HydrophobicContact CG-CD1 3.93Å; L344-L348 HydrophobicContact CG-CG 4.3Å; L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.25Å; L344-L348 PolarHBondContact O-N 3.48Å; L344-M371 VanDerWaalsContact CA-SD 3.5Å; L344-M371 HydrophobicContact CB-CE 4.46Å; L344-M371 HydrophobicContact CB-SD 3.81Å; L344-M371 HydrophobicContact CD1-SD 4.26Å; L344-M371 PolarHBondContact N-SD 2.79Å; L344-M371 VanDerWaalsContact N-SD 3.4Å |
| 345 | Q | 94.3 | Very high | 89.1 | Confident | 56 Ų | 56 | 40.5 Ų | 40.5 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 177.9 | -64.2 | -57.2 | -43.7 | 0 | 0 | 111.9 | E306 R341 Q342 L348 S349 | E306-Q345 PolarHBondContact OE1-NE2 3.46Å; R341-Q345 WeakPolarHBondContact O-CG 3.48Å; R341-Q345 PolarHBondContact O-N 3.43Å; Q342-Q345 PolarHBondContact O-N 2.96Å; Q342-Q345 VanDerWaalsContact O-N 3.13Å; Q345-L348 PolarHBondContact O-N 3.39Å; Q345-S349 WeakPolarHBondContact O-CB 3.32Å; Q345-S349 PolarHBondContact O-N 3.05Å; Q345-S349 PolarHBondContact O-OG 2.75Å |
| 346 | D | 93.1 | Very high | 87.3 | Confident | 51 Ų | 51 | 41 Ų | 41 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.7 | -46.6 | 172.4 | -60.9 | -11.2 | 0 | 0 | 0 | 110.4 | Q342 L344 S349 E350 K370 | Q342-D346 PolarHBondContact NE2-OD1 3.24Å; Q342-D346 VanDerWaalsContact O-CG 3.28Å; Q342-D346 PolarHBondContact O-N 3.33Å; L344-D346 VanDerWaalsContact C-N 3.34Å; D346-S349 WeakPolarHBondContact O-CB 3.35Å; D346-S349 PolarHBondContact O-N 2.99Å; D346-E350 PolarHBondContact O-N 3.44Å; D346-E350 VanDerWaalsContact O-N 3.08Å; D346-K370 IonicContact OD2-NZ 3.6Å; D346-K370 PolarHBondContact OD2-NZ 2.92Å |
| 347 | L | 88.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 178.8 | 176.5 | 62.2 | 0 | 0 | 0 | 112.8 | I289 A343 L344 S349 E350 Y351 L364 A367 I368 M371 | I289-L347 HydrophobicContact CB-CD2 4.17Å; I289-L347 HydrophobicContact CG2-CD2 4.4Å; A343-L347 WeakPolarHBondContact O-CB 3.36Å; A343-L347 PolarHBondContact O-N 3.39Å; L344-L347 HydrophobicContact CD1-CD2 4.44Å; L344-L347 WeakPolarHBondContact O-CB 3.47Å; L344-L347 PolarHBondContact O-N 3.48Å; L347-S349 VanDerWaalsContact C-N 3.3Å; L347-S349 PolarHBondContact O-N 3.04Å; L347-E350 PolarHBondContact O-N 2.93Å; L347-Y351 HydrophobicContact CD1-CD2 3.8Å; L347-Y351 HydrophobicContact CD1-CE2 3.68Å; L347-Y351 HydrophobicContact CD2-CE2 4.46Å; L347-Y351 HydrophobicContact CG-CD2 3.93Å; L347-Y351 HydrophobicContact CG-CE2 4.03Å; L347-Y351 WeakPolarHBondContact O-CD2 3.28Å; L347-Y351 PolarHBondContact O-N 3.15Å; L347-L364 HydrophobicContact CD1-CD1 4Å; L347-A367 HydrophobicContact CB-CB 4.49Å; L347-A367 HydrophobicContact CD1-CB 3.99Å; L347-I368 HydrophobicContact CD1-CB 4.47Å; L347-I368 HydrophobicContact CD1-CG1 3.51Å; L347-M371 HydrophobicContact CD2-CB 4Å; L347-M371 HydrophobicContact CD2-CG 3.8Å; L347-M371 HydrophobicContact CD2-SD 4.3Å |
| 348 | L | 88.1 | Confident | 83.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 177.8 | -72.9 | 168 | 0 | 0 | 0 | 111.1 | R302 L305 E306 L344 Q345 Y351 M352 | R302-L348 HydrophobicContact CB-CD2 4.18Å; R302-L348 HydrophobicContact CG-CD1 4.02Å; R302-L348 HydrophobicContact CG-CD2 4.24Å; L305-L348 HydrophobicContact CD1-CD2 4.3Å; E306-L348 HydrophobicContact CG-CD1 4.21Å; L344-L348 HydrophobicContact CD1-CD1 4.22Å; L344-L348 HydrophobicContact CD1-CG 4.11Å; L344-L348 HydrophobicContact CG-CD1 3.93Å; L344-L348 HydrophobicContact CG-CG 4.3Å; L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.25Å; L344-L348 PolarHBondContact O-N 3.48Å; Q345-L348 PolarHBondContact O-N 3.39Å; L348-Y351 PolarHBondContact O-N 2.63Å; L348-M352 WeakPolarHBondContact O-CG 3.24Å; L348-M352 PolarHBondContact O-N 3.04Å |
| 349 | S | 90.1 | Very high | 81.7 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 49% | 0.49 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | Q345 D346 L347 M352 G353 | Q345-S349 WeakPolarHBondContact O-CB 3.32Å; Q345-S349 PolarHBondContact O-N 3.05Å; Q345-S349 PolarHBondContact O-OG 2.75Å; D346-S349 WeakPolarHBondContact O-CB 3.35Å; D346-S349 PolarHBondContact O-N 2.99Å; L347-S349 VanDerWaalsContact C-N 3.3Å; L347-S349 PolarHBondContact O-N 3.04Å; S349-M352 WeakPolarHBondContact O-CB 3.31Å; S349-M352 PolarHBondContact O-N 3.37Å; S349-G353 PolarHBondContact O-N 3.46Å |
| 350 | E | 85.8 | Confident | 80.3 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 34% | 0.341 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.8 | -35.9 | 175 | -70.8 | -60.6 | 147 | 0 | 0 | 112.5 | D346 L347 G353 N354 A363 L364 A367 | D346-E350 PolarHBondContact O-N 3.44Å; D346-E350 VanDerWaalsContact O-N 3.08Å; L347-E350 PolarHBondContact O-N 2.93Å; E350-G353 PolarHBondContact O-N 3.1Å; E350-N354 VanDerWaalsContact O-CB 3.32Å; E350-N354 WeakPolarHBondContact O-CB 3.32Å; E350-N354 PolarHBondContact O-N 3.05Å; E350-A363 WeakPolarHBondContact OE2-CB 3.33Å; E350-L364 HydrophobicContact CB-CB 4.5Å; E350-L364 HydrophobicContact CB-CD1 3.95Å; E350-A367 HydrophobicContact CB-CB 4.27Å; E350-A367 HydrophobicContact CG-CB 3.94Å |
| 351 | Y | 79.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 173.3 | -96 | -66.2 | 0 | 0 | 0 | 112.4 | I289 V291 P293 F296 L347 L348 N354 A355 R360 L364 | I289-Y351 PolarHBondContact O-OH 2.93Å; V291-Y351 HydrophobicContact CB-CE1 4.23Å; V291-Y351 PolarHBondContact N-OH 3.09Å; V291-Y351 WeakPolarHBondContact O-CE1 3.48Å; V291-Y351 PolarHBondContact O-OH 3.31Å; P293-Y351 HydrophobicContact CG-CE1 4.5Å; F296-Y351 HydrophobicContact CB-CD1 4.26Å; F296-Y351 AromaticContact CD2-CD1 3.82Å; F296-Y351 HydrophobicContact CD2-CD1 3.82Å; F296-Y351 AromaticContact CD2-CG 3.94Å; F296-Y351 HydrophobicContact CD2-CG 3.94Å; F296-Y351 HydrophobicContact CE2-CD1 4.36Å; F296-Y351 HydrophobicContact CE2-CG 4.01Å; F296-Y351 HydrophobicContact CG-CD1 4.01Å; F296-Y351 HydrophobicContact CG-CG 4.41Å; L347-Y351 HydrophobicContact CD1-CD2 3.8Å; L347-Y351 HydrophobicContact CD1-CE2 3.68Å; L347-Y351 HydrophobicContact CD2-CE2 4.46Å; L347-Y351 HydrophobicContact CG-CD2 3.93Å; L347-Y351 HydrophobicContact CG-CE2 4.03Å; L347-Y351 WeakPolarHBondContact O-CD2 3.28Å; L347-Y351 PolarHBondContact O-N 3.15Å; L348-Y351 PolarHBondContact O-N 2.63Å; Y351-N354 CarbonylContact O-C 3.09Å; Y351-N354 PolarHBondContact O-N 3.4Å; Y351-A355 PolarHBondContact O-N 3.14Å; Y351-R360 PolarHBondContact OH-NH2 2.62Å; Y351-L364 HydrophobicContact CD1-CD1 4.09Å; Y351-L364 HydrophobicContact CD1-CD2 4.19Å; Y351-L364 HydrophobicContact CD2-CD1 3.74Å; Y351-L364 HydrophobicContact CE1-CD1 4.15Å; Y351-L364 HydrophobicContact CE1-CD2 3.96Å; Y351-L364 HydrophobicContact CE2-CD1 3.8Å; Y351-L364 HydrophobicContact CG-CD1 3.87Å |
| 352 | M | 81.6 | Confident | 77.9 | Confident | 84 Ų | 84 | 63.6 Ų | 63.6 | 41% | 0.414 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 172.9 | -67.7 | 173.6 | 73.7 | 0 | 0 | 111.4 | F296 L348 S349 N354 A355 | F296-M352 HydrophobicContact CE1-CG 4.43Å; L348-M352 WeakPolarHBondContact O-CG 3.24Å; L348-M352 PolarHBondContact O-N 3.04Å; S349-M352 WeakPolarHBondContact O-CB 3.31Å; S349-M352 PolarHBondContact O-N 3.37Å; M352-N354 PolarHBondContact O-N 3.44Å; M352-A355 WeakPolarHBondContact O-CB 3.23Å; M352-A355 PolarHBondContact O-N 3.19Å |
| 353 | G | 78.6 | Confident | 76.8 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 55% | 0.546 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.2 | -24.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S349 E350 | S349-G353 PolarHBondContact O-N 3.46Å; E350-G353 PolarHBondContact O-N 3.1Å |
| 354 | N | 70.8 | Confident | 75.9 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 7.9 | -179.9 | -153.5 | 66.8 | 0 | 0 | 0 | 113.7 | E350 Y351 M352 R357 E359 S361 L364 | E350-N354 VanDerWaalsContact O-CB 3.32Å; E350-N354 WeakPolarHBondContact O-CB 3.32Å; E350-N354 PolarHBondContact O-N 3.05Å; Y351-N354 CarbonylContact O-C 3.09Å; Y351-N354 PolarHBondContact O-N 3.4Å; M352-N354 PolarHBondContact O-N 3.44Å; N354-R357 PolarHBondContact O-N 3.38Å; N354-R357 WeakPolarHBondContact OD1-CD 3.31Å; N354-E359 PolarHBondContact ND2-O 3.22Å; N354-S361 PolarHBondContact OD1-N 2.92Å; N354-L364 HydrophobicContact CB-CD2 4.08Å |
| 355 | A | 64.8 | Low | 74.8 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 44% | 0.438 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 135 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y351 M352 R357 | Y351-A355 PolarHBondContact O-N 3.14Å; M352-A355 WeakPolarHBondContact O-CB 3.23Å; M352-A355 PolarHBondContact O-N 3.19Å; A355-R357 PolarHBondContact O-N 2.94Å |
| 356 | G | 57.9 | Low | 74.1 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 69% | 0.691 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 0.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 357 | R | 63.5 | Low | 73.5 | Confident | 153 Ų | 153 | 61.5 Ų | 61.5 | 58% | 0.577 | 35% | 0.353 | S | S | * | . | trans | -86.7 | 140.8 | 174.1 | -62.2 | -172.3 | -177.8 | -168.5 | 2.4 | 111.2 | L294 N354 A355 | L294-R357 WeakPolarHBondContact CD2-O 3.46Å; N354-R357 PolarHBondContact O-N 3.38Å; N354-R357 WeakPolarHBondContact OD1-CD 3.31Å; A355-R357 PolarHBondContact O-N 2.94Å | ||
| 358 | K | 52.7 | Low | 72.9 | Confident | 175 Ų | 175 | 61.8 Ų | 61.8 | 76% | 0.761 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -75.8 | -23.5 | -176 | -151.5 | -178.9 | -176.8 | 179.9 | 0 | 113.6 | L294 | L294-K358 HydrophobicContact CD1-CG 4.07Š|
| 359 | E | 52.8 | Low | 72.4 | Confident | 140 Ų | 140 | 65 Ų | 65 | 65% | 0.654 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -123.1 | 152.7 | 176.1 | -64.9 | -152.7 | 161.2 | 0 | 0 | 111.1 | N354 | N354-E359 PolarHBondContact ND2-O 3.22Š|
| 360 | R | 65.3 | Low | 72 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 29% | 0.287 | 37% | 0.369 | S | S | . | . | trans | -75.3 | 135.4 | 176.7 | -68 | 176.1 | 121.5 | -171 | 8.3 | 109.9 | P293 Y351 L364 | P293-R360 HydrophobicContact CG-CG 3.58Å; Y351-R360 PolarHBondContact OH-NH2 2.62Å; R360-L364 HydrophobicContact CB-CD2 4.24Å; R360-L364 HydrophobicContact CG-CD2 4.07Å | ||
| 361 | S | 70.7 | Confident | 72.2 | Confident | 31 Ų | 31 | 63.1 Ų | 63.1 | 22% | 0.217 | 35% | 0.353 | C | S | . | . | trans | -70.8 | 155.7 | 170.2 | 66 | 0 | 0 | 0 | 0 | 111.4 | N354 A363 L364 N365 | N354-S361 PolarHBondContact OD1-N 2.92Å; S361-A363 PolarHBondContact O-N 2.69Å; S361-L364 PolarHBondContact O-N 3.31Å; S361-L364 VanDerWaalsContact OG-CB 3.25Å; S361-L364 WeakPolarHBondContact OG-CB 3.46Å; S361-L364 PolarHBondContact OG-N 2.9Å; S361-N365 PolarHBondContact O-N 3.34Å; S361-N365 PolarHBondContact O-ND2 2.91Å | ||
| 362 | D | 71.1 | Confident | 72.3 | Confident | 135 Ų | 135 | 65.8 Ų | 65.8 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.2 | -31.3 | 172.5 | -66.2 | -37.6 | 0 | 0 | 0 | 112 | N365 S366 | D362-N365 PolarHBondContact O-N 3.43Å; D362-S366 WeakPolarHBondContact O-CB 3.27Å; D362-S366 PolarHBondContact O-N 2.91Å; D362-S366 PolarHBondContact O-OG 3.45Å |
| 363 | A | 74.2 | Confident | 72.4 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E350 S361 S366 A367 | E350-A363 WeakPolarHBondContact OE2-CB 3.33Å; S361-A363 PolarHBondContact O-N 2.69Å; A363-S366 PolarHBondContact O-N 3.4Å; A363-A367 PolarHBondContact O-N 3.2Å |
| 364 | L | 75.1 | Confident | 73 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 175.3 | 178.1 | 61.3 | 0 | 0 | 0 | 111.4 | P293 L347 E350 Y351 N354 R360 S361 S366 A367 I368 | P293-L364 HydrophobicContact CG-CD2 3.94Å; L347-L364 HydrophobicContact CD1-CD1 4Å; E350-L364 HydrophobicContact CB-CB 4.5Å; E350-L364 HydrophobicContact CB-CD1 3.95Å; Y351-L364 HydrophobicContact CD1-CD1 4.09Å; Y351-L364 HydrophobicContact CD1-CD2 4.19Å; Y351-L364 HydrophobicContact CD2-CD1 3.74Å; Y351-L364 HydrophobicContact CE1-CD1 4.15Å; Y351-L364 HydrophobicContact CE1-CD2 3.96Å; Y351-L364 HydrophobicContact CE2-CD1 3.8Å; Y351-L364 HydrophobicContact CG-CD1 3.87Å; N354-L364 HydrophobicContact CB-CD2 4.08Å; R360-L364 HydrophobicContact CB-CD2 4.24Å; R360-L364 HydrophobicContact CG-CD2 4.07Å; S361-L364 PolarHBondContact O-N 3.31Å; S361-L364 VanDerWaalsContact OG-CB 3.25Å; S361-L364 WeakPolarHBondContact OG-CB 3.46Å; S361-L364 PolarHBondContact OG-N 2.9Å; L364-S366 VanDerWaalsContact C-N 3.31Å; L364-S366 PolarHBondContact O-N 3.48Å; L364-A367 PolarHBondContact O-N 3.43Å; L364-I368 HydrophobicContact CD1-CD1 4.18Å; L364-I368 HydrophobicContact CD1-CG1 4.47Å; L364-I368 HydrophobicContact CG-CD1 3.93Å; L364-I368 VanDerWaalsContact O-CD1 3.25Å; L364-I368 WeakPolarHBondContact O-CD1 3.32Å; L364-I368 VanDerWaalsContact O-CG1 3.23Å; L364-I368 WeakPolarHBondContact O-CG1 3.37Å; L364-I368 PolarHBondContact O-N 3.37Å |
| 365 | N | 72.6 | Confident | 73.7 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 175.4 | -70 | -39.9 | 0 | 0 | 0 | 111.6 | S361 D362 A367 I368 D369 | S361-N365 PolarHBondContact O-N 3.34Å; S361-N365 PolarHBondContact O-ND2 2.91Å; D362-N365 PolarHBondContact O-N 3.43Å; N365-A367 PolarHBondContact O-N 3.25Å; N365-I368 WeakPolarHBondContact O-CB 3.37Å; N365-I368 PolarHBondContact O-N 2.97Å; N365-D369 PolarHBondContact O-N 3.23Å |
| 366 | S | 78.1 | Confident | 74.6 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 52% | 0.517 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | D362 A363 L364 D369 K370 | D362-S366 WeakPolarHBondContact O-CB 3.27Å; D362-S366 PolarHBondContact O-N 2.91Å; D362-S366 PolarHBondContact O-OG 3.45Å; A363-S366 PolarHBondContact O-N 3.4Å; L364-S366 VanDerWaalsContact C-N 3.31Å; L364-S366 PolarHBondContact O-N 3.48Å; S366-D369 PolarHBondContact O-N 3.14Å; S366-K370 WeakPolarHBondContact O-CB 3.42Å; S366-K370 PolarHBondContact O-N 3.22Å |
| 367 | A | 80.6 | Confident | 75.7 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L347 E350 A363 L364 N365 K370 M371 | L347-A367 HydrophobicContact CB-CB 4.49Å; L347-A367 HydrophobicContact CD1-CB 3.99Å; E350-A367 HydrophobicContact CB-CB 4.27Å; E350-A367 HydrophobicContact CG-CB 3.94Å; A363-A367 PolarHBondContact O-N 3.2Å; L364-A367 PolarHBondContact O-N 3.43Å; N365-A367 PolarHBondContact O-N 3.25Å; A367-K370 PolarHBondContact O-N 3.33Å; A367-M371 WeakPolarHBondContact O-CB 3.46Å; A367-M371 PolarHBondContact O-N 2.77Å |
| 368 | I | 77.3 | Confident | 77.1 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 173.8 | -66.6 | 155 | 0 | 0 | 0 | 110.9 | I290 L347 L364 N365 K370 M371 T372 | I290-I368 HydrophobicContact CD1-CG2 4.15Å; I290-I368 HydrophobicContact CG1-CG2 3.86Å; L347-I368 HydrophobicContact CD1-CB 4.47Å; L347-I368 HydrophobicContact CD1-CG1 3.51Å; L364-I368 HydrophobicContact CD1-CD1 4.18Å; L364-I368 HydrophobicContact CD1-CG1 4.47Å; L364-I368 HydrophobicContact CG-CD1 3.93Å; L364-I368 VanDerWaalsContact O-CD1 3.25Å; L364-I368 WeakPolarHBondContact O-CD1 3.32Å; L364-I368 VanDerWaalsContact O-CG1 3.23Å; L364-I368 WeakPolarHBondContact O-CG1 3.37Å; L364-I368 PolarHBondContact O-N 3.37Å; N365-I368 WeakPolarHBondContact O-CB 3.37Å; N365-I368 PolarHBondContact O-N 2.97Å; I368-K370 VanDerWaalsContact C-N 3.35Å; I368-M371 PolarHBondContact O-N 3.4Å; I368-T372 WeakPolarHBondContact O-CB 3.4Å; I368-T372 PolarHBondContact O-N 3.4Å; I368-T372 PolarHBondContact O-OG1 3.49Å |
| 369 | D | 76.8 | Confident | 78.8 | Confident | 69 Ų | 69 | 53 Ų | 53 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 176.1 | -72.6 | -17.5 | 0 | 0 | 0 | 110.6 | N365 S366 M371 T372 K373 H788 | N365-D369 PolarHBondContact O-N 3.23Å; S366-D369 PolarHBondContact O-N 3.14Å; D369-M371 PolarHBondContact O-N 3.26Å; D369-T372 PolarHBondContact O-N 2.96Å; D369-K373 WeakPolarHBondContact O-CB 3.34Å; D369-K373 PolarHBondContact O-N 2.92Å; D369-H788 IonicContact OD1-NE2 2.65Å; D369-H788 PolarHBondContact OD1-NE2 2.9Å |
| 370 | K | 82.3 | Confident | 80.1 | Confident | 104 Ų | 104 | 48.1 Ų | 48.1 | 45% | 0.452 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.1 | -172 | -176.7 | 178 | -169.9 | 0 | 111.8 | D346 S366 A367 I368 K373 K374 | D346-K370 IonicContact OD2-NZ 3.6Å; D346-K370 PolarHBondContact OD2-NZ 2.92Å; S366-K370 WeakPolarHBondContact O-CB 3.42Å; S366-K370 PolarHBondContact O-N 3.22Å; A367-K370 PolarHBondContact O-N 3.33Å; I368-K370 VanDerWaalsContact C-N 3.35Å; K370-K373 PolarHBondContact O-N 3.23Å; K370-K374 PolarHBondContact O-N 3.38Å |
| 371 | M | 90.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -49 | 177 | -173.3 | 74 | -109.7 | 0 | 0 | 111.5 | F285 I289 V340 A343 L344 L347 A367 I368 D369 K373 K374 T375 | F285-M371 HydrophobicContact CE1-CE 3.91Å; F285-M371 HydrophobicContact CE1-CG 4.42Å; F285-M371 HydrophobicContact CE1-SD 4.39Å; F285-M371 HydrophobicContact CZ-CE 4.32Å; I289-M371 HydrophobicContact CB-CG 4.47Å; I289-M371 HydrophobicContact CD1-CB 4.27Å; I289-M371 HydrophobicContact CD1-CG 3.84Å; I289-M371 HydrophobicContact CG2-CG 4.07Å; V340-M371 HydrophobicContact CB-CE 4.34Å; V340-M371 HydrophobicContact CG2-CE 3.21Å; V340-M371 WeakPolarHBondContact O-CE 3.32Å; A343-M371 HydrophobicContact CB-CE 4.15Å; A343-M371 HydrophobicContact CB-SD 4.03Å; L344-M371 VanDerWaalsContact CA-SD 3.5Å; L344-M371 HydrophobicContact CB-CE 4.46Å; L344-M371 HydrophobicContact CB-SD 3.81Å; L344-M371 HydrophobicContact CD1-SD 4.26Å; L344-M371 PolarHBondContact N-SD 2.79Å; L344-M371 VanDerWaalsContact N-SD 3.4Å; L347-M371 HydrophobicContact CD2-CB 4Å; L347-M371 HydrophobicContact CD2-CG 3.8Å; L347-M371 HydrophobicContact CD2-SD 4.3Å; A367-M371 WeakPolarHBondContact O-CB 3.46Å; A367-M371 PolarHBondContact O-N 2.77Å; I368-M371 PolarHBondContact O-N 3.4Å; D369-M371 PolarHBondContact O-N 3.26Å; M371-K373 VanDerWaalsContact C-N 3.31Å; M371-K373 PolarHBondContact O-N 3.19Å; M371-K374 PolarHBondContact O-N 3.31Å; M371-K374 VanDerWaalsContact O-N 3.13Å; M371-T375 HydrophobicContact CE-CG2 3.78Å; M371-T375 PolarHBondContact O-N 3.23Å; M371-T375 PolarHBondContact O-OG1 3.36Å |
| 372 | T | 81.6 | Confident | 82.1 | Confident | 56 Ų | 56 | 43.9 Ų | 43.9 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 179.3 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | I289 I368 D369 T375 R376 | I289-T372 WeakPolarHBondContact CD1-OG1 3.32Å; I368-T372 WeakPolarHBondContact O-CB 3.4Å; I368-T372 PolarHBondContact O-N 3.4Å; I368-T372 PolarHBondContact O-OG1 3.49Å; D369-T372 PolarHBondContact O-N 2.96Å; T372-T375 PolarHBondContact O-OG1 3.03Å; T372-R376 PolarHBondContact O-N 3.09Å |
| 373 | K | 82.8 | Confident | 82.8 | Confident | 121 Ų | 121 | 39.6 Ų | 39.6 | 53% | 0.526 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 173.1 | -175.6 | 177.5 | 177.3 | 178.1 | 0 | 111 | D369 K370 M371 R376 D377 | D369-K373 WeakPolarHBondContact O-CB 3.34Å; D369-K373 PolarHBondContact O-N 2.92Å; K370-K373 PolarHBondContact O-N 3.23Å; M371-K373 VanDerWaalsContact C-N 3.31Å; M371-K373 PolarHBondContact O-N 3.19Å; K373-R376 WeakPolarHBondContact O-CB 3.44Å; K373-R376 PolarHBondContact O-N 3.25Å; K373-D377 PolarHBondContact O-N 3.4Å |
| 374 | K | 90.8 | Very high | 83.3 | Confident | 47 Ų | 47 | 38.4 Ų | 38.4 | 20% | 0.204 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.1 | -33 | -178.7 | -74.6 | -46.9 | -165.7 | 175.1 | 0 | 114.7 | E336 A339 V340 A343 K370 M371 R376 D377 L378 | E336-K374 IonicContact OE1-NZ 3.25Å; E336-K374 IonicContact OE2-NZ 3.64Å; E336-K374 PolarHBondContact OE2-NZ 2.98Å; A339-K374 HydrophobicContact CB-CD 4.23Å; V340-K374 HydrophobicContact CB-CB 4.41Å; V340-K374 HydrophobicContact CG2-CB 4.42Å; A343-K374 HydrophobicContact CB-CB 4.16Å; A343-K374 HydrophobicContact CB-CG 4.06Å; K370-K374 PolarHBondContact O-N 3.38Å; M371-K374 PolarHBondContact O-N 3.31Å; M371-K374 VanDerWaalsContact O-N 3.13Å; K374-R376 VanDerWaalsContact C-N 3.32Å; K374-D377 HydrophobicContact CD-CB 4.43Å; K374-D377 WeakPolarHBondContact CD-OD2 3.39Å; K374-D377 IonicContact NZ-OD2 2.8Å; K374-D377 PolarHBondContact NZ-OD2 3.29Å; K374-D377 PolarHBondContact O-N 2.89Å; K374-L378 PolarHBondContact O-N 2.84Å; K374-L378 VanDerWaalsContact O-N 3.1Å |
| 375 | T | 85.6 | Confident | 84 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.6 | -36.2 | 170.1 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | F285 D286 V340 M371 T372 R379 | F285-T375 HydrophobicContact CD1-CG2 3.75Å; F285-T375 HydrophobicContact CE1-CG2 3.75Å; D286-T375 WeakPolarHBondContact OD1-CB 3.49Å; D286-T375 PolarHBondContact OD1-OG1 3.16Å; V340-T375 HydrophobicContact CG2-CG2 3.95Å; M371-T375 HydrophobicContact CE-CG2 3.78Å; M371-T375 PolarHBondContact O-N 3.23Å; M371-T375 PolarHBondContact O-OG1 3.36Å; T372-T375 PolarHBondContact O-OG1 3.03Å; T375-R379 WeakPolarHBondContact O-CB 3.31Å; T375-R379 PolarHBondContact O-N 3.49Å |
| 376 | R | 84.1 | Confident | 85 | Confident | 97 Ų | 97 | 36.4 Ų | 36.4 | 37% | 0.366 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.8 | -45 | 172.8 | -173.3 | 176.6 | 69 | 158.9 | 7.9 | 112.6 | T372 K373 K374 L378 R379 R380 | T372-R376 PolarHBondContact O-N 3.09Å; K373-R376 WeakPolarHBondContact O-CB 3.44Å; K373-R376 PolarHBondContact O-N 3.25Å; K374-R376 VanDerWaalsContact C-N 3.32Å; R376-L378 PolarHBondContact O-N 3.03Å; R376-R379 PolarHBondContact O-N 3.38Å; R376-R380 WeakPolarHBondContact O-CB 3.38Å; R376-R380 PolarHBondContact O-N 3.46Å |
| 377 | D | 81.8 | Confident | 85.5 | Confident | 9 Ų | 9 | 33 Ų | 33 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 178.3 | -69.7 | -13 | 0 | 0 | 0 | 111.3 | K373 K374 R380 Q381 | K373-D377 PolarHBondContact O-N 3.4Å; K374-D377 HydrophobicContact CD-CB 4.43Å; K374-D377 WeakPolarHBondContact CD-OD2 3.39Å; K374-D377 IonicContact NZ-OD2 2.8Å; K374-D377 PolarHBondContact NZ-OD2 3.29Å; K374-D377 PolarHBondContact O-N 2.89Å; D377-R380 WeakPolarHBondContact O-CB 3Å; D377-R380 PolarHBondContact O-N 3.27Å; D377-R380 IonicContact OD1-NH2 3.02Å; D377-Q381 PolarHBondContact O-N 2.91Å |
| 378 | L | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.7 | -50.9 | 173.8 | 177.6 | 60.9 | 0 | 0 | 0 | 111.1 | I312 A316 I333 E336 V340 K374 R376 R380 Q381 L382 | I312-L378 HydrophobicContact CG2-CD2 3.95Å; A316-L378 HydrophobicContact CB-CD1 4.46Å; I333-L378 HydrophobicContact CG2-CD1 4.43Å; E336-L378 HydrophobicContact CB-CB 4.27Å; E336-L378 HydrophobicContact CB-CD1 4.02Å; V340-L378 HydrophobicContact CG1-CD2 4.13Å; K374-L378 PolarHBondContact O-N 2.84Å; K374-L378 VanDerWaalsContact O-N 3.1Å; R376-L378 PolarHBondContact O-N 3.03Å; L378-R380 PolarHBondContact O-N 3.05Å; L378-Q381 PolarHBondContact O-N 3.23Å; L378-Q381 VanDerWaalsContact O-N 3.07Å; L378-L382 HydrophobicContact CD1-CD1 4.27Å; L378-L382 HydrophobicContact CD1-CD2 4.4Å; L378-L382 HydrophobicContact CD1-CG 4.16Å; L378-L382 HydrophobicContact CG-CD1 3.99Å; L378-L382 HydrophobicContact CG-CG 4.34Å; L378-L382 VanDerWaalsContact O-CG 3.25Å; L378-L382 WeakPolarHBondContact O-CG 3.42Å; L378-L382 PolarHBondContact O-N 2.96Å |
| 379 | R | 88.4 | Confident | 86.7 | Confident | 44 Ų | 44 | 32.5 Ų | 32.5 | 17% | 0.166 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53 | -39.5 | 177 | -173.5 | -174.4 | -77 | 122.6 | -6.4 | 111.6 | L282 N283 D286 T375 R376 L382 R383 | L282-R379 HydrophobicContact CD1-CB 4.25Å; L282-R379 HydrophobicContact CD1-CG 4.24Å; N283-R379 PolarHBondContact OD1-NH2 3.35Å; D286-R379 IonicContact OD2-CZ 3.62Å; D286-R379 IonicContact OD2-NH1 3.79Å; D286-R379 PolarHBondContact OD2-NH1 3.03Å; D286-R379 IonicContact OD2-NH2 3.79Å; D286-R379 PolarHBondContact OD2-NH2 2.91Å; T375-R379 WeakPolarHBondContact O-CB 3.31Å; T375-R379 PolarHBondContact O-N 3.49Å; R376-R379 PolarHBondContact O-N 3.38Å; R379-L382 PolarHBondContact O-N 2.85Å; R379-R383 WeakPolarHBondContact O-CG 3.41Å; R379-R383 PolarHBondContact O-N 3.25Å |
| 380 | R | 80.1 | Confident | 87.4 | Confident | 39 Ų | 39 | 29.2 Ų | 29.2 | 15% | 0.147 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.8 | -45.4 | 176.7 | -178.6 | 178.7 | 65.5 | -168.9 | -0.5 | 112.8 | R376 D377 L378 L382 R383 K384 D640 | R376-R380 WeakPolarHBondContact O-CB 3.38Å; R376-R380 PolarHBondContact O-N 3.46Å; D377-R380 WeakPolarHBondContact O-CB 3Å; D377-R380 PolarHBondContact O-N 3.27Å; D377-R380 IonicContact OD1-NH2 3.02Å; L378-R380 PolarHBondContact O-N 3.05Å; R380-L382 PolarHBondContact O-N 2.9Å; R380-R383 PolarHBondContact O-N 3.12Å; R380-K384 WeakPolarHBondContact O-CG 3.49Å; R380-K384 PolarHBondContact O-N 2.82Å; R380-D640 WeakPolarHBondContact CD-O 3.48Å; R380-D640 WeakPolarHBondContact CG-O 3.35Å |
| 381 | Q | 86.6 | Confident | 87.8 | Confident | 18 Ų | 18 | 24.4 Ų | 24.4 | 8% | 0.084 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 175.7 | -70.2 | -58.1 | -25.4 | 0 | 0 | 111.8 | I333 E336 D377 L378 K384 A385 | I333-Q381 HydrophobicContact CG1-CB 4.32Å; E336-Q381 HydrophobicContact CG-CG 3.88Å; D377-Q381 PolarHBondContact O-N 2.91Å; L378-Q381 PolarHBondContact O-N 3.23Å; L378-Q381 VanDerWaalsContact O-N 3.07Å; Q381-K384 PolarHBondContact O-N 2.82Å; Q381-A385 WeakPolarHBondContact O-CB 3.45Å; Q381-A385 PolarHBondContact O-N 3.34Å |
| 382 | L | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 175.1 | -65.3 | 173.3 | 0 | 0 | 0 | 111.9 | L278 L282 A316 M319 I333 L378 R379 R380 A385 V386 I440 | L278-L382 HydrophobicContact CD2-CD1 3.84Å; L278-L382 HydrophobicContact CG-CD1 4.41Å; L282-L382 HydrophobicContact CD1-CD1 4.05Å; A316-L382 HydrophobicContact CB-CD1 4.49Å; A316-L382 HydrophobicContact CB-CD2 3.72Å; M319-L382 VanDerWaalsContact CE-CA 3.41Å; M319-L382 HydrophobicContact CE-CB 3.35Å; M319-L382 HydrophobicContact CE-CD2 3.2Å; M319-L382 HydrophobicContact CE-CG 3.79Å; M319-L382 VanDerWaalsContact CE-O 3.28Å; M319-L382 WeakPolarHBondContact CE-O 3.45Å; I333-L382 HydrophobicContact CG2-CD2 4.19Å; L378-L382 HydrophobicContact CD1-CD1 4.27Å; L378-L382 HydrophobicContact CD1-CD2 4.4Å; L378-L382 HydrophobicContact CD1-CG 4.16Å; L378-L382 HydrophobicContact CG-CD1 3.99Å; L378-L382 HydrophobicContact CG-CG 4.34Å; L378-L382 VanDerWaalsContact O-CG 3.25Å; L378-L382 WeakPolarHBondContact O-CG 3.42Å; L378-L382 PolarHBondContact O-N 2.96Å; R379-L382 PolarHBondContact O-N 2.85Å; R380-L382 PolarHBondContact O-N 2.9Å; L382-A385 WeakPolarHBondContact O-CB 3.07Å; L382-A385 PolarHBondContact O-N 3.4Å; L382-V386 PolarHBondContact O-N 3.35Å; L382-I440 HydrophobicContact CB-CG2 4.28Å |
| 383 | R | 85.6 | Confident | 88.1 | Confident | 44 Ų | 44 | 25 Ų | 25 | 17% | 0.166 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.7 | -47.2 | 173.4 | -73.6 | -167.6 | -58.6 | -105.3 | 3.4 | 112.5 | R379 R380 A385 V386 M387 I440 D510 D640 | R379-R383 WeakPolarHBondContact O-CG 3.41Å; R379-R383 PolarHBondContact O-N 3.25Å; R380-R383 PolarHBondContact O-N 3.12Å; R383-A385 VanDerWaalsContact C-N 3.32Å; R383-A385 PolarHBondContact O-N 2.98Å; R383-V386 PolarHBondContact O-N 3.11Å; R383-M387 PolarHBondContact O-N 3.33Å; R383-I440 HydrophobicContact CB-CD1 4.4Å; R383-I440 HydrophobicContact CG-CD1 4.07Å; R383-D510 IonicContact NE-OD2 2.98Å; R383-D640 IonicContact CZ-OD1 3.52Å; R383-D640 IonicContact NH1-OD1 3.43Å; R383-D640 VanDerWaalsContact NH2-CG 3.28Å; R383-D640 PolarHBondContact NH2-O 3.5Å; R383-D640 IonicContact NH2-OD1 2.7Å; R383-D640 PolarHBondContact NH2-OD1 3.46Å |
| 384 | K | 84.7 | Confident | 88.4 | Confident | 23 Ų | 23 | 19.7 Ų | 19.7 | 10% | 0.1 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64 | -37.1 | 179.2 | -66.7 | -177.1 | 177.7 | -176 | 0 | 111.8 | R380 Q381 M387 D388 | R380-K384 WeakPolarHBondContact O-CG 3.49Å; R380-K384 PolarHBondContact O-N 2.82Å; Q381-K384 PolarHBondContact O-N 2.82Å; K384-M387 WeakPolarHBondContact O-CB 3.43Å; K384-M387 PolarHBondContact O-N 2.94Å; K384-M387 VanDerWaalsContact O-N 3.16Å; K384-D388 VanDerWaalsContact O-CG 3.23Å; K384-D388 PolarHBondContact O-N 3.45Å |
| 385 | A | 91.3 | Very high | 88 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M319 R329 I333 Q381 L382 R383 M387 D388 H389 | M319-A385 HydrophobicContact CE-CB 4.32Å; M319-A385 HydrophobicContact CG-CB 3.98Å; M319-A385 HydrophobicContact SD-CB 3.99Å; R329-A385 HydrophobicContact CG-CB 3.58Å; I333-A385 HydrophobicContact CD1-CB 3.88Å; Q381-A385 WeakPolarHBondContact O-CB 3.45Å; Q381-A385 PolarHBondContact O-N 3.34Å; L382-A385 WeakPolarHBondContact O-CB 3.07Å; L382-A385 PolarHBondContact O-N 3.4Å; R383-A385 VanDerWaalsContact C-N 3.32Å; R383-A385 PolarHBondContact O-N 2.98Å; A385-M387 VanDerWaalsContact C-N 3.3Å; A385-M387 PolarHBondContact O-N 3.29Å; A385-D388 WeakPolarHBondContact O-CB 3.37Å; A385-D388 PolarHBondContact O-N 3.42Å; A385-H389 PolarHBondContact O-N 3Å; A385-H389 PolarHBondContact O-ND1 3.32Å |
| 386 | V | 92.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 173.3 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | M319 L382 R383 H389 V390 A437 I440 T506 | M319-V386 HydrophobicContact CE-CG2 4.25Å; M319-V386 HydrophobicContact SD-CG2 3.42Å; M319-V386 WeakPolarHBondContact SD-CG2 3.48Å; L382-V386 PolarHBondContact O-N 3.35Å; R383-V386 PolarHBondContact O-N 3.11Å; V386-H389 WeakPolarHBondContact O-CB 3.47Å; V386-H389 PolarHBondContact O-N 3.03Å; V386-V390 HydrophobicContact CG1-CG2 4.31Å; V386-V390 WeakPolarHBondContact O-CG2 3.38Å; V386-V390 PolarHBondContact O-N 2.91Å; V386-A437 HydrophobicContact CG1-CB 3.58Å; V386-I440 HydrophobicContact CB-CD1 3.87Å; V386-I440 HydrophobicContact CG1-CD1 4.44Å; V386-I440 HydrophobicContact CG2-CD1 3.37Å; V386-I440 HydrophobicContact CG2-CG1 3.9Å; V386-T506 HydrophobicContact CG1-CG2 4.41Å |
| 387 | M | 88.8 | Confident | 87.9 | Confident | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.02 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 176.2 | -71 | -40.8 | 108.1 | 0 | 0 | 112.5 | R383 K384 A385 H389 V390 S391 T506 D510 F511 V514 | R383-M387 PolarHBondContact O-N 3.33Å; K384-M387 WeakPolarHBondContact O-CB 3.43Å; K384-M387 PolarHBondContact O-N 2.94Å; K384-M387 VanDerWaalsContact O-N 3.16Å; A385-M387 VanDerWaalsContact C-N 3.3Å; A385-M387 PolarHBondContact O-N 3.29Å; M387-H389 VanDerWaalsContact C-N 3.29Å; M387-H389 PolarHBondContact O-N 2.67Å; M387-V390 PolarHBondContact O-N 2.9Å; M387-S391 VanDerWaalsContact O-CB 3.25Å; M387-S391 WeakPolarHBondContact O-CB 3.44Å; M387-S391 PolarHBondContact O-N 3.45Å; M387-T506 VanDerWaalsContact CE-CB 3.49Å; M387-T506 HydrophobicContact CE-CG2 3.48Å; M387-T506 VanDerWaalsContact CE-CG2 3.48Å; M387-T506 HydrophobicContact SD-CG2 4.43Å; M387-D510 HydrophobicContact CG-CB 3.51Å; M387-D510 HydrophobicContact SD-CB 4.11Å; M387-F511 HydrophobicContact SD-CB 4.14Å; M387-V514 HydrophobicContact CB-CB 4.02Å; M387-V514 HydrophobicContact CB-CG1 4.32Å; M387-V514 HydrophobicContact CB-CG2 3.63Å; M387-V514 HydrophobicContact CG-CG2 4.42Å |
| 388 | D | 90.5 | Very high | 88.2 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.027 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 174 | -58.5 | -19.9 | 0 | 0 | 0 | 109.4 | R329 K384 A385 V390 S391 D392 V514 H518 | R329-D388 IonicContact CZ-OD2 3.59Å; R329-D388 VanDerWaalsContact CZ-OD2 3.25Å; R329-D388 IonicContact NE-OD2 2.94Å; R329-D388 PolarHBondContact NE-OD2 2.94Å; R329-D388 IonicContact NH2-OD1 2.71Å; R329-D388 PolarHBondContact NH2-OD1 2.98Å; R329-D388 VanDerWaalsContact NH2-OD1 3.1Å; R329-D388 IonicContact NH2-OD2 2.78Å; R329-D388 PolarHBondContact NH2-OD2 3.5Å; K384-D388 VanDerWaalsContact O-CG 3.23Å; K384-D388 PolarHBondContact O-N 3.45Å; A385-D388 WeakPolarHBondContact O-CB 3.37Å; A385-D388 PolarHBondContact O-N 3.42Å; D388-V390 PolarHBondContact O-N 2.65Å; D388-S391 PolarHBondContact O-N 2.92Å; D388-D392 WeakPolarHBondContact O-CB 3.46Å; D388-D392 PolarHBondContact O-N 3.2Å; D388-V514 WeakPolarHBondContact OD1-CG1 3.34Å; D388-H518 IonicContact OD1-NE2 3.8Å |
| 389 | H | 92.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 176.2 | -65.9 | 148.4 | 0 | 0 | 0 | 113.6 | C324 T325 A385 V386 M387 S391 D392 S393 V433 | C324-H389 WeakPolarHBondContact CB-CD2 3.41Å; C324-H389 PolarHBondContact O-CD2 3.29Å; T325-H389 WeakPolarHBondContact CA-NE2 3.33Å; T325-H389 PolarHBondContact N-NE2 3.31Å; T325-H389 PolarHBondContact OG1-CE1 2.79Å; T325-H389 VanDerWaalsContact OG1-CE1 3.28Å; T325-H389 PolarHBondContact OG1-NE2 2.7Å; A385-H389 PolarHBondContact O-N 3Å; A385-H389 PolarHBondContact O-ND1 3.32Å; V386-H389 WeakPolarHBondContact O-CB 3.47Å; V386-H389 PolarHBondContact O-N 3.03Å; M387-H389 VanDerWaalsContact C-N 3.29Å; M387-H389 PolarHBondContact O-N 2.67Å; H389-S391 VanDerWaalsContact C-N 3.32Å; H389-D392 PolarHBondContact O-N 3.28Å; H389-S393 WeakPolarHBondContact O-CB 3.23Å; H389-S393 PolarHBondContact O-N 3.1Å; H389-S393 PolarHBondContact O-OG 2.94Å; H389-S393 VanDerWaalsContact O-OG 3.14Å; H389-V433 HydrophobicContact CB-CB 4.29Å; H389-V433 HydrophobicContact CB-CG1 3.69Å; H389-V433 HydrophobicContact CB-CG2 3.76Å |
| 390 | V | 92 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.9 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | V386 M387 D388 F394 V433 V502 F511 | V386-V390 HydrophobicContact CG1-CG2 4.31Å; V386-V390 WeakPolarHBondContact O-CG2 3.38Å; V386-V390 PolarHBondContact O-N 2.91Å; M387-V390 PolarHBondContact O-N 2.9Å; D388-V390 PolarHBondContact O-N 2.65Å; V390-F394 HydrophobicContact CG1-CD2 3.88Å; V390-F394 HydrophobicContact CG1-CE2 4.27Å; V390-F394 HydrophobicContact CG2-CE2 4.34Å; V390-F394 WeakPolarHBondContact O-CB 3.38Å; V390-F394 PolarHBondContact O-N 3.11Å; V390-V433 HydrophobicContact CG2-CG1 4.04Å; V390-V502 HydrophobicContact CG2-CG1 3.84Å; V390-F511 HydrophobicContact CG1-CD2 4.23Å; V390-F511 HydrophobicContact CG1-CE2 4.44Å |
| 391 | S | 89.2 | Confident | 89.2 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.2 | -37 | -178.3 | -157.6 | 0 | 0 | 0 | 0 | 111.7 | M387 D388 H389 L395 H518 R548 | M387-S391 VanDerWaalsContact O-CB 3.25Å; M387-S391 WeakPolarHBondContact O-CB 3.44Å; M387-S391 PolarHBondContact O-N 3.45Å; D388-S391 PolarHBondContact O-N 2.92Å; H389-S391 VanDerWaalsContact C-N 3.32Å; S391-L395 VanDerWaalsContact O-CD1 3.28Å; S391-L395 WeakPolarHBondContact O-CD1 3.44Å; S391-L395 WeakPolarHBondContact O-CG 3.42Å; S391-H518 PolarHBondContact OG-ND1 2.59Å; S391-R548 PolarHBondContact O-NH1 3.05Å; S391-R548 PolarHBondContact OG-NH1 3.22Å |
| 392 | D | 89.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 25.5 Ų | 25.5 | 28% | 0.283 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -91.1 | -35.4 | -176 | -66.4 | -21.6 | 0 | 0 | 0 | 113.6 | D388 H389 L395 H518 R548 | D388-D392 WeakPolarHBondContact O-CB 3.46Å; D388-D392 PolarHBondContact O-N 3.2Å; H389-D392 PolarHBondContact O-N 3.28Å; D392-L395 WeakPolarHBondContact O-CD1 3.15Å; D392-H518 IonicContact OD1-CE1 3.16Å; D392-H518 PolarHBondContact OD1-CE1 3.07Å; D392-H518 IonicContact OD1-ND1 2.78Å; D392-H518 PolarHBondContact OD1-ND1 3.04Å; D392-H518 IonicContact OD2-CE1 3.36Å; D392-R548 IonicContact OD1-CZ 3.5Å; D392-R548 IonicContact OD1-NH1 3.33Å; D392-R548 PolarHBondContact OD1-NH1 2.81Å; D392-R548 IonicContact OD1-NH2 3.18Å; D392-R548 PolarHBondContact OD1-NH2 3.34Å; D392-R548 VanDerWaalsContact OD1-NH2 3.12Å |
| 393 | S | 89.6 | Confident | 89.8 | Confident | 17 Ų | 17 | 28.2 Ų | 28.2 | 12% | 0.119 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -85 | -22.8 | -174.8 | -58 | 0 | 0 | 0 | 0 | 113.5 | H389 L430 V433 | H389-S393 WeakPolarHBondContact O-CB 3.23Å; H389-S393 PolarHBondContact O-N 3.1Å; H389-S393 PolarHBondContact O-OG 2.94Å; H389-S393 VanDerWaalsContact O-OG 3.14Å; S393-L430 WeakPolarHBondContact O-CD2 3.03Å; S393-V433 WeakPolarHBondContact OG-CG2 3.28Å |
| 394 | F | 88.3 | Confident | 90.4 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 17.5 | -176.1 | -62.8 | -11.1 | 0 | 0 | 0 | 114.5 | V390 L430 V433 T499 V502 | V390-F394 HydrophobicContact CG1-CD2 3.88Å; V390-F394 HydrophobicContact CG1-CE2 4.27Å; V390-F394 HydrophobicContact CG2-CE2 4.34Å; V390-F394 WeakPolarHBondContact O-CB 3.38Å; V390-F394 PolarHBondContact O-N 3.11Å; F394-L430 HydrophobicContact CD1-CD2 3.45Å; F394-L430 VanDerWaalsContact CD1-CD2 3.45Å; F394-L430 HydrophobicContact CE1-CB 4.41Å; F394-L430 HydrophobicContact CE1-CD2 3.6Å; F394-V433 HydrophobicContact CE1-CG1 4.26Å; F394-V433 HydrophobicContact CZ-CG1 4.11Å; F394-T499 HydrophobicContact CB-CG2 4.22Å; F394-T499 HydrophobicContact CD1-CG2 4.07Å; F394-T499 HydrophobicContact CD2-CG2 3.66Å; F394-T499 HydrophobicContact CE1-CG2 4.32Å; F394-T499 HydrophobicContact CE2-CG2 3.94Å; F394-T499 HydrophobicContact CG-CG2 3.75Å; F394-T499 HydrophobicContact CZ-CG2 4.26Å; F394-V502 HydrophobicContact CE2-CB 3.92Å; F394-V502 HydrophobicContact CE2-CG1 3.82Å; F394-V502 HydrophobicContact CE2-CG2 4.25Å; F394-V502 HydrophobicContact CZ-CB 4.39Å; F394-V502 HydrophobicContact CZ-CG1 4.36Å; F394-V502 HydrophobicContact CZ-CG2 4.21Å |
| 395 | L | 83.8 | Confident | 91 | Very high | 36 Ų | 36 | 25.3 Ų | 25.3 | 19% | 0.188 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -76.7 | -58.2 | -179.7 | -67.7 | 159.5 | 0 | 0 | 0 | 112.8 | S391 D392 R548 | S391-L395 VanDerWaalsContact O-CD1 3.28Å; S391-L395 WeakPolarHBondContact O-CD1 3.44Å; S391-L395 WeakPolarHBondContact O-CG 3.42Å; D392-L395 WeakPolarHBondContact O-CD1 3.15Å; L395-R548 HydrophobicContact CD2-CB 3.42Å; L395-R548 VanDerWaalsContact CD2-CB 3.42Å; L395-R548 HydrophobicContact CD2-CG 3.87Å |
| 396 | E | 80.8 | Confident | 91.2 | Very high | 95 Ų | 95 | 29.8 Ų | 29.8 | 44% | 0.444 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -124.2 | 58 | -169.8 | -69.1 | -170 | 176.5 | 0 | 0 | 111.5 | N398 V399 | E396-N398 PolarHBondContact O-N 3.5Å; E396-V399 HydrophobicContact CB-CB 4.5Å; E396-V399 HydrophobicContact CB-CG2 3.89Å; E396-V399 HydrophobicContact CG-CG2 4.4Å; E396-V399 PolarHBondContact O-N 3.22Å |
| 397 | T | 86.1 | Confident | 91.4 | Very high | 22 Ų | 22 | 30 Ų | 30 | 14% | 0.135 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.3 | -169.3 | 57.7 | 0 | 0 | 0 | 0 | 115.3 | H426 L430 V495 | T397-H426 WeakPolarHBondContact CA-NE2 3.36Å; T397-L430 HydrophobicContact CG2-CD2 3.97Å; T397-V495 HydrophobicContact CG2-CG1 3.95Å |
| 398 | N | 87.1 | Confident | 91.7 | Very high | 49 Ų | 49 | 29.8 Ų | 29.8 | 26% | 0.262 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -10.6 | -174.7 | -60.8 | -23 | 0 | 0 | 0 | 113.9 | E396 L401 L402 | E396-N398 PolarHBondContact O-N 3.5Å; N398-L401 WeakPolarHBondContact O-CB 3.34Å; N398-L401 PolarHBondContact O-N 2.74Å; N398-L401 VanDerWaalsContact O-N 3.13Å; N398-L402 WeakPolarHBondContact O-CG 3.36Å; N398-L402 PolarHBondContact O-N 3.41Å |
| 399 | V | 91.4 | Very high | 92 | Very high | 66 Ų | 66 | 34.5 Ų | 34.5 | 40% | 0.4 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.1 | -48.2 | -174.5 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | E396 L401 L402 V403 | E396-V399 HydrophobicContact CB-CB 4.5Å; E396-V399 HydrophobicContact CB-CG2 3.89Å; E396-V399 HydrophobicContact CG-CG2 4.4Å; E396-V399 PolarHBondContact O-N 3.22Å; V399-L401 PolarHBondContact O-N 3.35Å; V399-L402 PolarHBondContact O-N 2.63Å; V399-L402 VanDerWaalsContact O-N 3.11Å; V399-V403 WeakPolarHBondContact O-CG2 3.3Å; V399-V403 PolarHBondContact O-N 3.43Å; V399-V403 VanDerWaalsContact O-N 3.13Å |
| 400 | P | 94.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 39 Ų | 39 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.9 | -30.4 | 176.8 | -25.3 | 36 | 0 | 0 | 0 | 113.4 | L404 F423 H426 | P400-L404 VanDerWaalsContact O-CB 3.28Å; P400-L404 WeakPolarHBondContact O-CB 3.23Å; P400-L404 PolarHBondContact O-N 3.1Å; P400-L404 VanDerWaalsContact O-N 3.13Å; P400-F423 HydrophobicContact CB-CB 4.22Å; P400-F423 HydrophobicContact CB-CD2 4.26Å; P400-H426 HydrophobicContact CG-CB 4.08Å |
| 401 | L | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.1 | -44.9 | 175.7 | 176.4 | 61.8 | 0 | 0 | 0 | 111.6 | N398 V399 V403 L404 I405 F423 V464 M484 K488 W491 | N398-L401 WeakPolarHBondContact O-CB 3.34Å; N398-L401 PolarHBondContact O-N 2.74Å; N398-L401 VanDerWaalsContact O-N 3.13Å; V399-L401 PolarHBondContact O-N 3.35Å; L401-V403 PolarHBondContact O-N 2.8Å; L401-L404 WeakPolarHBondContact O-CB 3.46Å; L401-L404 PolarHBondContact O-N 2.79Å; L401-I405 HydrophobicContact CD1-CD1 3.73Å; L401-I405 HydrophobicContact CD1-CG1 4Å; L401-I405 HydrophobicContact CD2-CD1 4.38Å; L401-I405 HydrophobicContact CG-CD1 3.71Å; L401-I405 HydrophobicContact CG-CG1 4.37Å; L401-I405 VanDerWaalsContact O-CG1 3.25Å; L401-I405 WeakPolarHBondContact O-CG1 3.15Å; L401-I405 PolarHBondContact O-N 3.09Å; L401-F423 HydrophobicContact CB-CD2 4.07Å; L401-F423 HydrophobicContact CB-CE2 3.85Å; L401-F423 HydrophobicContact CD1-CE2 4.1Å; L401-F423 HydrophobicContact CD1-CZ 4.38Å; L401-F423 HydrophobicContact CG-CE2 4.47Å; L401-V464 HydrophobicContact CD1-CG1 3.44Å; L401-V464 VanDerWaalsContact CD1-CG1 3.44Å; L401-M484 HydrophobicContact CD1-CE 4.47Å; L401-K488 HydrophobicContact CD2-CG 4.17Å; L401-W491 HydrophobicContact CD2-CB 3.97Å; L401-W491 VanDerWaalsContact CD2-CD1 3.48Å; L401-W491 HydrophobicContact CD2-CG 3.87Å |
| 402 | L | 95.5 | Very high | 92.4 | Very high | 86 Ų | 86 | 43.1 Ų | 43.1 | 45% | 0.45 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.8 | -43 | -179.5 | -66.4 | 176.8 | 0 | 0 | 0 | 111.4 | N398 V399 I405 E406 | N398-L402 WeakPolarHBondContact O-CG 3.36Å; N398-L402 PolarHBondContact O-N 3.41Å; V399-L402 PolarHBondContact O-N 2.63Å; V399-L402 VanDerWaalsContact O-N 3.11Å; L402-I405 PolarHBondContact O-N 3.44Å; L402-E406 WeakPolarHBondContact O-CB 3.17Å; L402-E406 PolarHBondContact O-N 3.01Å |
| 403 | V | 95.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 35% | 0.345 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.8 | 179 | 0 | 0 | 0 | 0 | 111.2 | V399 L401 I405 E406 A407 Y419 | V399-V403 WeakPolarHBondContact O-CG2 3.3Å; V399-V403 PolarHBondContact O-N 3.43Å; V399-V403 VanDerWaalsContact O-N 3.13Å; L401-V403 PolarHBondContact O-N 2.8Å; V403-I405 PolarHBondContact O-N 2.95Å; V403-E406 PolarHBondContact O-N 3.13Å; V403-A407 PolarHBondContact O-N 3.4Å; V403-A407 VanDerWaalsContact O-N 3.07Å; V403-Y419 HydrophobicContact CG1-CD1 3.68Å; V403-Y419 HydrophobicContact CG1-CD2 3.86Å; V403-Y419 HydrophobicContact CG1-CE1 3.57Å; V403-Y419 HydrophobicContact CG1-CE2 3.75Å; V403-Y419 HydrophobicContact CG1-CG 3.84Å |
| 404 | L | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.5 | 174.4 | 63.6 | 0 | 0 | 0 | 112.3 | P400 L401 A408 V416 A420 F423 A468 | P400-L404 VanDerWaalsContact O-CB 3.28Å; P400-L404 WeakPolarHBondContact O-CB 3.23Å; P400-L404 PolarHBondContact O-N 3.1Å; P400-L404 VanDerWaalsContact O-N 3.13Å; L401-L404 WeakPolarHBondContact O-CB 3.46Å; L401-L404 PolarHBondContact O-N 2.79Å; L404-A408 PolarHBondContact O-N 3.36Å; L404-A408 VanDerWaalsContact O-N 3.12Å; L404-V416 HydrophobicContact CD1-CB 4.33Å; L404-V416 HydrophobicContact CD1-CG1 3.77Å; L404-V416 WeakPolarHBondContact CD1-O 3.24Å; L404-A420 HydrophobicContact CD1-CB 4.17Å; L404-F423 HydrophobicContact CD2-CB 4.24Å; L404-F423 HydrophobicContact CD2-CD1 4.18Å; L404-F423 HydrophobicContact CD2-CG 4.17Å; L404-A468 HydrophobicContact CD1-CB 4.02Å; L404-A468 HydrophobicContact CD2-CB 4.09Å; L404-A468 HydrophobicContact CG-CB 3.83Å |
| 405 | I | 96.4 | Very high | 93 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | 179.5 | -69.2 | 169.6 | 0 | 0 | 0 | 110.7 | L401 L402 V403 A408 K409 M484 K488 | L401-I405 HydrophobicContact CD1-CD1 3.73Å; L401-I405 HydrophobicContact CD1-CG1 4Å; L401-I405 HydrophobicContact CD2-CD1 4.38Å; L401-I405 HydrophobicContact CG-CD1 3.71Å; L401-I405 HydrophobicContact CG-CG1 4.37Å; L401-I405 VanDerWaalsContact O-CG1 3.25Å; L401-I405 WeakPolarHBondContact O-CG1 3.15Å; L401-I405 PolarHBondContact O-N 3.09Å; L402-I405 PolarHBondContact O-N 3.44Å; V403-I405 PolarHBondContact O-N 2.95Å; I405-A408 WeakPolarHBondContact O-CB 3.41Å; I405-A408 PolarHBondContact O-N 3.42Å; I405-A408 VanDerWaalsContact O-N 3.17Å; I405-K409 HydrophobicContact CG2-CD 4.19Å; I405-K409 HydrophobicContact CG2-CG 4.35Å; I405-K409 WeakPolarHBondContact O-CG 3.36Å; I405-K409 PolarHBondContact O-N 3.44Å; I405-M484 HydrophobicContact CD1-CE 3.99Å; I405-M484 HydrophobicContact CD1-CG 4.45Å; I405-M484 HydrophobicContact CG1-CE 3.82Å; I405-M484 HydrophobicContact CG1-CG 4.04Å; I405-M484 HydrophobicContact CG1-SD 4.08Å; I405-M484 HydrophobicContact CG2-CG 4.24Å; I405-K488 HydrophobicContact CD1-CB 3.89Å; I405-K488 HydrophobicContact CD1-CD 3.9Å; I405-K488 HydrophobicContact CD1-CG 3.86Å |
| 406 | E | 96.8 | Very high | 93.6 | Very high | 96 Ų | 96 | 53.3 Ų | 53.3 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | -180 | -169.8 | 54 | -144.8 | 0 | 0 | 111.5 | L402 V403 A408 K409 N410 | L402-E406 WeakPolarHBondContact O-CB 3.17Å; L402-E406 PolarHBondContact O-N 3.01Å; V403-E406 PolarHBondContact O-N 3.13Å; E406-A408 PolarHBondContact O-N 2.94Å; E406-K409 PolarHBondContact O-N 3Å; E406-N410 PolarHBondContact O-N 2.89Å; E406-N410 PolarHBondContact O-ND2 3.48Å; E406-N410 PolarHBondContact OE1-ND2 3.2Å |
| 407 | A | 96.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V403 N410 G411 N412 E415 V416 Y419 | V403-A407 PolarHBondContact O-N 3.4Å; V403-A407 VanDerWaalsContact O-N 3.07Å; A407-N410 PolarHBondContact O-N 3.44Å; A407-G411 PolarHBondContact O-N 2.78Å; A407-N412 PolarHBondContact O-N 3.5Å; A407-E415 HydrophobicContact CB-CB 3.92Å; A407-V416 HydrophobicContact CB-CG2 3.75Å; A407-Y419 HydrophobicContact CB-CD2 3.83Å; A407-Y419 HydrophobicContact CB-CE2 4.14Å |
| 408 | A | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L404 I405 E406 N410 G411 V416 A468 L471 A472 | L404-A408 PolarHBondContact O-N 3.36Å; L404-A408 VanDerWaalsContact O-N 3.12Å; I405-A408 WeakPolarHBondContact O-CB 3.41Å; I405-A408 PolarHBondContact O-N 3.42Å; I405-A408 VanDerWaalsContact O-N 3.17Å; E406-A408 PolarHBondContact O-N 2.94Å; A408-N410 PolarHBondContact O-N 3.25Å; A408-G411 PolarHBondContact O-N 2.94Å; A408-V416 HydrophobicContact CB-CG2 3.83Å; A408-V416 VanDerWaalsContact N-CG2 3.33Å; A408-A468 HydrophobicContact CB-CB 4.19Å; A408-A468 WeakPolarHBondContact CB-O 3.38Å; A408-L471 HydrophobicContact CB-CB 4.16Å; A408-L471 HydrophobicContact CB-CD2 3.94Å; A408-L471 HydrophobicContact CB-CG 4.1Å; A408-A472 HydrophobicContact CB-CB 4.38Å; A408-A472 WeakPolarHBondContact O-CA 2.95Å |
| 409 | K | 95.5 | Very high | 95.1 | Very high | 104 Ų | 104 | 60.2 Ų | 60.2 | 45% | 0.452 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 174.9 | -75.8 | 176.7 | 176.8 | 177.1 | 0 | 112.1 | I405 E406 G411 L471 P475 | I405-K409 HydrophobicContact CG2-CD 4.19Å; I405-K409 HydrophobicContact CG2-CG 4.35Å; I405-K409 WeakPolarHBondContact O-CG 3.36Å; I405-K409 PolarHBondContact O-N 3.44Å; E406-K409 PolarHBondContact O-N 3Å; K409-G411 PolarHBondContact O-N 3.47Å; K409-L471 HydrophobicContact CG-CD2 4.05Å; K409-P475 WeakPolarHBondContact O-CB 3.42Å |
| 410 | N | 95.5 | Very high | 95.4 | Very high | 95 Ų | 95 | 57.3 Ų | 57.3 | 51% | 0.508 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -6.1 | 176.4 | -68.2 | -43.5 | 0 | 0 | 0 | 113.7 | E406 A407 A408 N412 | E406-N410 PolarHBondContact O-N 2.89Å; E406-N410 PolarHBondContact O-ND2 3.48Å; E406-N410 PolarHBondContact OE1-ND2 3.2Å; A407-N410 PolarHBondContact O-N 3.44Å; A408-N410 PolarHBondContact O-N 3.25Å; N410-N412 VanDerWaalsContact C-N 3.3Å |
| 411 | G | 93.5 | Very high | 95.4 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 26% | 0.258 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 16.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A407 A408 K409 E413 A472 | A407-G411 PolarHBondContact O-N 2.78Å; A408-G411 PolarHBondContact O-N 2.94Å; K409-G411 PolarHBondContact O-N 3.47Å; G411-E413 PolarHBondContact O-N 2.9Å; G411-E413 VanDerWaalsContact O-N 3.12Å; G411-A472 WeakPolarHBondContact CA-O 3.24Å |
| 412 | N | 94.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 64.3 Ų | 64.3 | 35% | 0.348 | 32% | 0.316 | S | S | . | . | trans | -86.6 | 79.3 | -174.5 | -67.6 | -17.7 | 0 | 0 | 0 | 111.1 | A407 N410 K414 E415 V416 | A407-N412 PolarHBondContact O-N 3.5Å; N410-N412 VanDerWaalsContact C-N 3.3Å; N412-K414 PolarHBondContact O-N 3.19Å; N412-K414 VanDerWaalsContact O-N 3.08Å; N412-E415 HydrophobicContact CB-CB 3.98Å; N412-E415 HydrophobicContact CB-CG 4.16Å; N412-E415 VanDerWaalsContact CB-OE2 3.32Å; N412-E415 WeakPolarHBondContact CB-OE2 3.39Å; N412-E415 PolarHBondContact ND2-OE2 2.88Å; N412-E415 PolarHBondContact O-N 2.97Å; N412-V416 WeakPolarHBondContact O-CG2 3.41Å; N412-V416 PolarHBondContact O-N 2.96Å | ||
| 413 | E | 90.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55 | -31.9 | -176.3 | -73 | -167.6 | -159.6 | 0 | 0 | 114.9 | G411 K417 A472 | G411-E413 PolarHBondContact O-N 2.9Å; G411-E413 VanDerWaalsContact O-N 3.12Å; E413-K417 WeakPolarHBondContact O-CG 3.36Å; E413-K417 PolarHBondContact O-N 2.9Å; E413-A472 HydrophobicContact CG-CB 4.03Å |
| 414 | K | 93.8 | Very high | 95.5 | Very high | 155 Ų | 155 | 62.1 Ų | 62.1 | 67% | 0.674 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71 | -49.9 | 179.3 | -169.9 | -171.6 | 174.5 | -155.8 | 0 | 111.2 | N412 V416 K417 E418 | N412-K414 PolarHBondContact O-N 3.19Å; N412-K414 VanDerWaalsContact O-N 3.08Å; K414-V416 VanDerWaalsContact C-N 3.29Å; K414-V416 PolarHBondContact O-N 3.37Å; K414-K417 WeakPolarHBondContact O-CB 3.27Å; K414-K417 PolarHBondContact O-N 3.48Å; K414-K417 VanDerWaalsContact O-N 3.11Å; K414-E418 VanDerWaalsContact CE-OE1 3.27Å; K414-E418 WeakPolarHBondContact CE-OE1 3.25Å; K414-E418 IonicContact NZ-OE1 3.81Å; K414-E418 PolarHBondContact O-N 3.14Å; K414-E418 VanDerWaalsContact O-N 3.17Å |
| 415 | E | 95.4 | Very high | 95.4 | Very high | 77 Ų | 77 | 67.5 Ų | 67.5 | 36% | 0.36 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 177.3 | -71 | 176.8 | 178.8 | 0 | 0 | 111.2 | A407 N412 K417 E418 Y419 | A407-E415 HydrophobicContact CB-CB 3.92Å; N412-E415 HydrophobicContact CB-CB 3.98Å; N412-E415 HydrophobicContact CB-CG 4.16Å; N412-E415 VanDerWaalsContact CB-OE2 3.32Å; N412-E415 WeakPolarHBondContact CB-OE2 3.39Å; N412-E415 PolarHBondContact ND2-OE2 2.88Å; N412-E415 PolarHBondContact O-N 2.97Å; E415-K417 VanDerWaalsContact C-N 3.27Å; E415-K417 PolarHBondContact O-N 3.43Å; E415-E418 PolarHBondContact O-N 3.36Å; E415-E418 VanDerWaalsContact O-N 3.11Å; E415-Y419 HydrophobicContact CB-CD2 4.12Å; E415-Y419 HydrophobicContact CB-CE2 3.97Å; E415-Y419 WeakPolarHBondContact O-CD2 3.31Å; E415-Y419 PolarHBondContact O-N 3.42Å |
| 416 | V | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -38 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | L404 A407 A408 N412 K414 A420 A468 L469 A472 | L404-V416 HydrophobicContact CD1-CB 4.33Å; L404-V416 HydrophobicContact CD1-CG1 3.77Å; L404-V416 WeakPolarHBondContact CD1-O 3.24Å; A407-V416 HydrophobicContact CB-CG2 3.75Å; A408-V416 HydrophobicContact CB-CG2 3.83Å; A408-V416 VanDerWaalsContact N-CG2 3.33Å; N412-V416 WeakPolarHBondContact O-CG2 3.41Å; N412-V416 PolarHBondContact O-N 2.96Å; K414-V416 VanDerWaalsContact C-N 3.29Å; K414-V416 PolarHBondContact O-N 3.37Å; V416-A420 WeakPolarHBondContact O-CB 3.43Å; V416-A420 PolarHBondContact O-N 3.33Å; V416-A468 HydrophobicContact CG1-CB 4.07Å; V416-L469 HydrophobicContact CG1-CD2 3.7Å; V416-L469 HydrophobicContact CG1-CG 4.08Å; V416-A472 HydrophobicContact CB-CB 4.35Å; V416-A472 HydrophobicContact CG1-CB 4.46Å; V416-A472 HydrophobicContact CG2-CB 3.88Å |
| 417 | K | 93.7 | Very high | 95.3 | Very high | 121 Ų | 121 | 64.3 Ų | 64.3 | 53% | 0.526 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.6 | -36.3 | 176.3 | -72.8 | 172.4 | -175.5 | 166.1 | 0 | 112.5 | E413 K414 E415 L469 | E413-K417 WeakPolarHBondContact O-CG 3.36Å; E413-K417 PolarHBondContact O-N 2.9Å; K414-K417 WeakPolarHBondContact O-CB 3.27Å; K414-K417 PolarHBondContact O-N 3.48Å; K414-K417 VanDerWaalsContact O-N 3.11Å; E415-K417 VanDerWaalsContact C-N 3.27Å; E415-K417 PolarHBondContact O-N 3.43Å; K417-L469 HydrophobicContact CG-CD2 3.87Å |
| 418 | E | 95.7 | Very high | 95.2 | Very high | 102 Ų | 102 | 68 Ų | 68 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.2 | -52.7 | 176.9 | -68.8 | 172.7 | -171.5 | 0 | 0 | 110.2 | K414 E415 A420 Q421 V422 | K414-E418 VanDerWaalsContact CE-OE1 3.27Å; K414-E418 WeakPolarHBondContact CE-OE1 3.25Å; K414-E418 IonicContact NZ-OE1 3.81Å; K414-E418 PolarHBondContact O-N 3.14Å; K414-E418 VanDerWaalsContact O-N 3.17Å; E415-E418 PolarHBondContact O-N 3.36Å; E415-E418 VanDerWaalsContact O-N 3.11Å; E418-A420 VanDerWaalsContact C-N 3.29Å; E418-A420 PolarHBondContact O-N 3.36Å; E418-Q421 PolarHBondContact O-N 2.93Å; E418-Q421 VanDerWaalsContact O-N 3.14Å; E418-V422 PolarHBondContact O-N 2.95Å |
| 419 | Y | 97.3 | Very high | 95.1 | Very high | 88 Ų | 88 | 72.4 Ų | 72.4 | 35% | 0.345 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.8 | -26.8 | 177.6 | -64.7 | -50.9 | 0 | 0 | 0 | 113.5 | V403 A407 E415 Q421 V422 F423 | V403-Y419 HydrophobicContact CG1-CD1 3.68Å; V403-Y419 HydrophobicContact CG1-CD2 3.86Å; V403-Y419 HydrophobicContact CG1-CE1 3.57Å; V403-Y419 HydrophobicContact CG1-CE2 3.75Å; V403-Y419 HydrophobicContact CG1-CG 3.84Å; A407-Y419 HydrophobicContact CB-CD2 3.83Å; A407-Y419 HydrophobicContact CB-CE2 4.14Å; E415-Y419 HydrophobicContact CB-CD2 4.12Å; E415-Y419 HydrophobicContact CB-CE2 3.97Å; E415-Y419 WeakPolarHBondContact O-CD2 3.31Å; E415-Y419 PolarHBondContact O-N 3.42Å; Y419-Q421 VanDerWaalsContact C-N 3.27Å; Y419-Q421 PolarHBondContact O-N 3.05Å; Y419-V422 PolarHBondContact O-N 2.97Å; Y419-F423 WeakPolarHBondContact O-CB 3.42Å; Y419-F423 PolarHBondContact O-N 3.06Å |
| 420 | A | 96 | Very high | 95.1 | Very high | 5 Ų | 5 | 67.5 Ų | 67.5 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -32 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L404 V416 E418 R424 I465 | L404-A420 HydrophobicContact CD1-CB 4.17Å; V416-A420 WeakPolarHBondContact O-CB 3.43Å; V416-A420 PolarHBondContact O-N 3.33Å; E418-A420 VanDerWaalsContact C-N 3.29Å; E418-A420 PolarHBondContact O-N 3.36Å; A420-R424 WeakPolarHBondContact O-CB 3.48Å; A420-R424 PolarHBondContact O-N 3.49Å; A420-I465 HydrophobicContact CB-CB 4.47Å; A420-I465 HydrophobicContact CB-CD1 4.3Å; A420-I465 HydrophobicContact CB-CG1 4.09Å; A420-I465 HydrophobicContact CB-CG2 3.65Å |
| 421 | Q | 96.1 | Very high | 95.1 | Very high | 95 Ų | 95 | 63.9 Ų | 63.9 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.2 | -45.2 | 174.1 | -63 | -61.6 | -11.4 | 0 | 0 | 110.7 | E418 Y419 F423 R424 E425 | E418-Q421 PolarHBondContact O-N 2.93Å; E418-Q421 VanDerWaalsContact O-N 3.14Å; Y419-Q421 VanDerWaalsContact C-N 3.27Å; Y419-Q421 PolarHBondContact O-N 3.05Å; Q421-F423 VanDerWaalsContact C-N 3.32Å; Q421-F423 PolarHBondContact O-N 3.22Å; Q421-R424 PolarHBondContact O-N 3.23Å; Q421-R424 VanDerWaalsContact O-N 3.13Å; Q421-E425 WeakPolarHBondContact O-CB 3.45Å; Q421-E425 WeakPolarHBondContact O-CG 3.48Å; Q421-E425 PolarHBondContact O-N 2.97Å |
| 422 | V | 96.1 | Very high | 95.1 | Very high | 76 Ų | 76 | 65.9 Ų | 65.9 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | E418 Y419 R424 E425 H426 | E418-V422 PolarHBondContact O-N 2.95Å; Y419-V422 PolarHBondContact O-N 2.97Å; V422-R424 PolarHBondContact O-N 3.36Å; V422-E425 PolarHBondContact O-N 2.67Å; V422-H426 WeakPolarHBondContact O-CB 3.42Å; V422-H426 PolarHBondContact O-N 3.42Å |
| 423 | F | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 175.8 | 172.6 | -104.2 | 0 | 0 | 0 | 112.5 | P400 L401 L404 Y419 Q421 H426 A427 V464 I465 W491 | P400-F423 HydrophobicContact CB-CB 4.22Å; P400-F423 HydrophobicContact CB-CD2 4.26Å; L401-F423 HydrophobicContact CB-CD2 4.07Å; L401-F423 HydrophobicContact CB-CE2 3.85Å; L401-F423 HydrophobicContact CD1-CE2 4.1Å; L401-F423 HydrophobicContact CD1-CZ 4.38Å; L401-F423 HydrophobicContact CG-CE2 4.47Å; L404-F423 HydrophobicContact CD2-CB 4.24Å; L404-F423 HydrophobicContact CD2-CD1 4.18Å; L404-F423 HydrophobicContact CD2-CG 4.17Å; Y419-F423 WeakPolarHBondContact O-CB 3.42Å; Y419-F423 PolarHBondContact O-N 3.06Å; Q421-F423 VanDerWaalsContact C-N 3.32Å; Q421-F423 PolarHBondContact O-N 3.22Å; F423-H426 PolarHBondContact O-N 3.49Å; F423-A427 WeakPolarHBondContact O-CB 3.41Å; F423-A427 PolarHBondContact O-N 3.3Å; F423-V464 HydrophobicContact CE1-CB 4.06Å; F423-V464 HydrophobicContact CE1-CG1 3.98Å; F423-V464 HydrophobicContact CZ-CB 4.19Å; F423-V464 HydrophobicContact CZ-CG1 3.87Å; F423-I465 HydrophobicContact CD1-CD1 4.13Å; F423-I465 HydrophobicContact CD1-CG1 3.83Å; F423-I465 HydrophobicContact CE1-CG1 4.17Å; F423-W491 HydrophobicContact CE1-CH2 4.29Å; F423-W491 HydrophobicContact CE1-CZ2 4.44Å; F423-W491 HydrophobicContact CE1-CZ3 4.33Å; F423-W491 AromaticContact CE2-CD2 3.93Å; F423-W491 HydrophobicContact CE2-CD2 3.93Å; F423-W491 AromaticContact CE2-CE2 3.39Å; F423-W491 HydrophobicContact CE2-CG 4.42Å; F423-W491 HydrophobicContact CE2-CH2 4.18Å; F423-W491 AromaticContact CE2-CZ2 3.53Å; F423-W491 HydrophobicContact CE2-CZ2 3.53Å; F423-W491 AromaticContact CE2-NE1 3.61Å; F423-W491 AromaticContact CZ-CD2 3.52Å; F423-W491 HydrophobicContact CZ-CD2 3.52Å; F423-W491 AromaticContact CZ-CE2 3.4Å; F423-W491 AromaticContact CZ-CE3 3.69Å; F423-W491 HydrophobicContact CZ-CE3 3.69Å; F423-W491 HydrophobicContact CZ-CG 4.25Å; F423-W491 AromaticContact CZ-CH2 3.64Å; F423-W491 HydrophobicContact CZ-CH2 3.64Å; F423-W491 AromaticContact CZ-CZ2 3.46Å; F423-W491 HydrophobicContact CZ-CZ2 3.46Å; F423-W491 VanDerWaalsContact CZ-CZ2 3.46Å; F423-W491 AromaticContact CZ-CZ3 3.75Å; F423-W491 HydrophobicContact CZ-CZ3 3.75Å |
| 424 | R | 96.8 | Very high | 95.3 | Very high | 95 Ų | 95 | 58.2 Ų | 58.2 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 177.6 | -176.8 | -177 | -63.4 | 170.7 | 1.1 | 112.3 | A420 Q421 V422 H426 A427 N428 I465 | A420-R424 WeakPolarHBondContact O-CB 3.48Å; A420-R424 PolarHBondContact O-N 3.49Å; Q421-R424 PolarHBondContact O-N 3.23Å; Q421-R424 VanDerWaalsContact O-N 3.13Å; V422-R424 PolarHBondContact O-N 3.36Å; R424-H426 VanDerWaalsContact C-N 3.31Å; R424-H426 PolarHBondContact O-N 3.42Å; R424-A427 WeakPolarHBondContact O-CB 3.34Å; R424-A427 PolarHBondContact O-N 2.99Å; R424-N428 WeakPolarHBondContact O-CB 3.27Å; R424-N428 VanDerWaalsContact O-CG 3.25Å; R424-N428 PolarHBondContact O-N 3.45Å; R424-N428 PolarHBondContact O-ND2 3.27Å; R424-I465 HydrophobicContact CB-CD1 4.22Å |
| 425 | E | 94.9 | Very high | 95.2 | Very high | 114 Ų | 114 | 54.2 Ų | 54.2 | 53% | 0.533 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.2 | -74.5 | 174.9 | -168.2 | 0 | 0 | 110.8 | Q421 V422 N428 K429 | Q421-E425 WeakPolarHBondContact O-CB 3.45Å; Q421-E425 WeakPolarHBondContact O-CG 3.48Å; Q421-E425 PolarHBondContact O-N 2.97Å; V422-E425 PolarHBondContact O-N 2.67Å; E425-N428 PolarHBondContact O-N 2.9Å; E425-K429 WeakPolarHBondContact O-CG 3.17Å; E425-K429 PolarHBondContact O-N 3.39Å |
| 426 | H | 94 | Very high | 95.1 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 16% | 0.162 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 173.9 | -175.9 | 68.1 | 0 | 0 | 0 | 112.2 | T397 P400 V422 F423 R424 N428 K429 L430 | T397-H426 WeakPolarHBondContact CA-NE2 3.36Å; P400-H426 HydrophobicContact CG-CB 4.08Å; V422-H426 WeakPolarHBondContact O-CB 3.42Å; V422-H426 PolarHBondContact O-N 3.42Å; F423-H426 PolarHBondContact O-N 3.49Å; R424-H426 VanDerWaalsContact C-N 3.31Å; R424-H426 PolarHBondContact O-N 3.42Å; H426-N428 VanDerWaalsContact C-N 3.31Å; H426-N428 PolarHBondContact O-N 3.34Å; H426-K429 WeakPolarHBondContact O-CB 3.35Å; H426-K429 PolarHBondContact O-N 2.93Å; H426-K429 VanDerWaalsContact O-N 3.14Å; H426-L430 WeakPolarHBondContact O-CG 3.46Å; H426-L430 PolarHBondContact O-N 2.92Å |
| 427 | A | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | F423 R424 K429 L430 I431 C461 W491 | F423-A427 WeakPolarHBondContact O-CB 3.41Å; F423-A427 PolarHBondContact O-N 3.3Å; R424-A427 WeakPolarHBondContact O-CB 3.34Å; R424-A427 PolarHBondContact O-N 2.99Å; A427-K429 VanDerWaalsContact C-N 3.34Å; A427-L430 WeakPolarHBondContact O-CB 3.48Å; A427-L430 PolarHBondContact O-N 3.12Å; A427-I431 WeakPolarHBondContact O-CD1 3.3Å; A427-I431 WeakPolarHBondContact O-CG1 3.39Å; A427-I431 PolarHBondContact O-N 3.34Å; A427-I431 VanDerWaalsContact O-N 3.09Å; A427-C461 HydrophobicContact CB-CB 4.38Å; A427-W491 HydrophobicContact CB-CH2 3.51Å; A427-W491 HydrophobicContact CB-CZ2 3.99Å |
| 428 | N | 94.9 | Very high | 94.8 | Very high | 81 Ų | 81 | 45.8 Ų | 45.8 | 43% | 0.433 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -38.3 | 176.9 | -70.9 | -16.8 | 0 | 0 | 0 | 111.7 | R424 E425 H426 I431 E432 | R424-N428 WeakPolarHBondContact O-CB 3.27Å; R424-N428 VanDerWaalsContact O-CG 3.25Å; R424-N428 PolarHBondContact O-N 3.45Å; R424-N428 PolarHBondContact O-ND2 3.27Å; E425-N428 PolarHBondContact O-N 2.9Å; H426-N428 VanDerWaalsContact C-N 3.31Å; H426-N428 PolarHBondContact O-N 3.34Å; N428-I431 PolarHBondContact O-N 3.42Å; N428-E432 WeakPolarHBondContact O-CB 3.46Å; N428-E432 PolarHBondContact O-N 3.03Å |
| 429 | K | 94.3 | Very high | 94.5 | Very high | 91 Ų | 91 | 42.1 Ų | 42.1 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 172.9 | -71 | 176.2 | -177 | -178.8 | 0 | 111.7 | E425 H426 A427 I431 E432 V433 | E425-K429 WeakPolarHBondContact O-CG 3.17Å; E425-K429 PolarHBondContact O-N 3.39Å; H426-K429 WeakPolarHBondContact O-CB 3.35Å; H426-K429 PolarHBondContact O-N 2.93Å; H426-K429 VanDerWaalsContact O-N 3.14Å; A427-K429 VanDerWaalsContact C-N 3.34Å; K429-I431 VanDerWaalsContact C-N 3.28Å; K429-I431 PolarHBondContact O-N 2.65Å; K429-E432 PolarHBondContact O-N 3.34Å; K429-V433 WeakPolarHBondContact O-CG2 3.45Å; K429-V433 PolarHBondContact O-N 3.03Å |
| 430 | L | 95.6 | Very high | 94 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 175.9 | -63 | 174.7 | 0 | 0 | 0 | 111.7 | S393 F394 T397 H426 A427 A434 L457 V495 L498 | S393-L430 WeakPolarHBondContact O-CD2 3.03Å; F394-L430 HydrophobicContact CD1-CD2 3.45Å; F394-L430 VanDerWaalsContact CD1-CD2 3.45Å; F394-L430 HydrophobicContact CE1-CB 4.41Å; F394-L430 HydrophobicContact CE1-CD2 3.6Å; T397-L430 HydrophobicContact CG2-CD2 3.97Å; H426-L430 WeakPolarHBondContact O-CG 3.46Å; H426-L430 PolarHBondContact O-N 2.92Å; A427-L430 WeakPolarHBondContact O-CB 3.48Å; A427-L430 PolarHBondContact O-N 3.12Å; L430-A434 WeakPolarHBondContact O-CB 3.4Å; L430-A434 PolarHBondContact O-N 3.39Å; L430-A434 VanDerWaalsContact O-N 3.11Å; L430-L457 HydrophobicContact CB-CD2 4.38Å; L430-L457 HydrophobicContact CD1-CD2 4.34Å; L430-V495 HydrophobicContact CD1-CG1 4.5Å; L430-V495 HydrophobicContact CD1-CG2 4.33Å; L430-L498 HydrophobicContact CB-CD2 4.47Å |
| 431 | I | 95.1 | Very high | 93.5 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 10% | 0.097 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.4 | -41.4 | 177.8 | -67.8 | 160.2 | 0 | 0 | 0 | 111.4 | A427 N428 K429 A434 N435 A454 L457 E458 | A427-I431 WeakPolarHBondContact O-CD1 3.3Å; A427-I431 WeakPolarHBondContact O-CG1 3.39Å; A427-I431 PolarHBondContact O-N 3.34Å; A427-I431 VanDerWaalsContact O-N 3.09Å; N428-I431 PolarHBondContact O-N 3.42Å; K429-I431 VanDerWaalsContact C-N 3.28Å; K429-I431 PolarHBondContact O-N 2.65Å; I431-A434 PolarHBondContact O-N 2.8Å; I431-N435 WeakPolarHBondContact CG2-ND2 3.48Å; I431-N435 PolarHBondContact O-N 3.03Å; I431-N435 PolarHBondContact O-ND2 3.09Å; I431-A454 HydrophobicContact CG1-CB 4.48Å; I431-A454 HydrophobicContact CG2-CB 4.28Å; I431-L457 HydrophobicContact CG1-CD2 4.4Å; I431-E458 HydrophobicContact CD1-CB 3.75Å; I431-E458 HydrophobicContact CD1-CG 4.32Å |
| 432 | E | 93.8 | Very high | 92.7 | Very high | 67 Ų | 67 | 39.6 Ų | 39.6 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.7 | -50.7 | 177 | -173.4 | -177.1 | 158.9 | 0 | 0 | 110.8 | S322 N428 K429 A434 N435 L436 | S322-E432 WeakPolarHBondContact CB-OE1 3.37Å; S322-E432 PolarHBondContact OG-OE1 2.89Å; N428-E432 WeakPolarHBondContact O-CB 3.46Å; N428-E432 PolarHBondContact O-N 3.03Å; K429-E432 PolarHBondContact O-N 3.34Å; E432-A434 VanDerWaalsContact C-N 3.33Å; E432-A434 PolarHBondContact O-N 3.48Å; E432-N435 PolarHBondContact O-N 3.34Å; E432-N435 VanDerWaalsContact O-N 3.12Å; E432-L436 HydrophobicContact CG-CD1 4.27Å; E432-L436 WeakPolarHBondContact O-CG 3.43Å; E432-L436 PolarHBondContact O-N 2.99Å |
| 433 | V | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | C324 H389 V390 S393 F394 K429 N435 L436 A437 | C324-V433 HydrophobicContact CB-CG2 4.47Å; H389-V433 HydrophobicContact CB-CB 4.29Å; H389-V433 HydrophobicContact CB-CG1 3.69Å; H389-V433 HydrophobicContact CB-CG2 3.76Å; V390-V433 HydrophobicContact CG2-CG1 4.04Å; S393-V433 WeakPolarHBondContact OG-CG2 3.28Å; F394-V433 HydrophobicContact CE1-CG1 4.26Å; F394-V433 HydrophobicContact CZ-CG1 4.11Å; K429-V433 WeakPolarHBondContact O-CG2 3.45Å; K429-V433 PolarHBondContact O-N 3.03Å; V433-N435 VanDerWaalsContact C-N 3.33Å; V433-N435 PolarHBondContact O-N 3.15Å; V433-L436 PolarHBondContact O-N 3.01Å; V433-A437 PolarHBondContact O-N 3.08Å |
| 434 | A | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L430 I431 E432 C438 V450 L498 V502 | L430-A434 WeakPolarHBondContact O-CB 3.4Å; L430-A434 PolarHBondContact O-N 3.39Å; L430-A434 VanDerWaalsContact O-N 3.11Å; I431-A434 PolarHBondContact O-N 2.8Å; E432-A434 VanDerWaalsContact C-N 3.33Å; E432-A434 PolarHBondContact O-N 3.48Å; A434-C438 PolarHBondContact O-N 3.28Å; A434-C438 PolarHBondContact O-SG 2.85Å; A434-V450 HydrophobicContact CB-CG1 3.74Å; A434-L498 HydrophobicContact CB-CD1 3.81Å; A434-L498 HydrophobicContact CB-CD2 4.32Å; A434-L498 HydrophobicContact CB-CG 4.32Å; A434-V502 HydrophobicContact CB-CG2 3.78Å |
| 435 | N | 91.5 | Very high | 90 | Very high | 70 Ų | 70 | 43 Ų | 43 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.9 | -35.9 | 177.6 | -74.9 | -43 | 0 | 0 | 0 | 112.7 | I431 E432 V433 C438 S439 | I431-N435 WeakPolarHBondContact CG2-ND2 3.48Å; I431-N435 PolarHBondContact O-N 3.03Å; I431-N435 PolarHBondContact O-ND2 3.09Å; E432-N435 PolarHBondContact O-N 3.34Å; E432-N435 VanDerWaalsContact O-N 3.12Å; V433-N435 VanDerWaalsContact C-N 3.33Å; V433-N435 PolarHBondContact O-N 3.15Å; N435-C438 WeakPolarHBondContact O-CB 3.38Å; N435-C438 PolarHBondContact O-N 3.09Å; N435-S439 PolarHBondContact O-N 2.96Å |
| 436 | L | 92.8 | Very high | 89.5 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 172.9 | -70.7 | 172.9 | 0 | 0 | 0 | 110.7 | M319 E432 V433 C438 S439 | M319-L436 HydrophobicContact CB-CD2 4.28Å; M319-L436 HydrophobicContact CG-CD2 4.49Å; E432-L436 HydrophobicContact CG-CD1 4.27Å; E432-L436 WeakPolarHBondContact O-CG 3.43Å; E432-L436 PolarHBondContact O-N 2.99Å; V433-L436 PolarHBondContact O-N 3.01Å; L436-C438 VanDerWaalsContact C-N 3.29Å; L436-C438 PolarHBondContact O-N 3.38Å; L436-S439 WeakPolarHBondContact O-CB 3.26Å; L436-S439 PolarHBondContact O-N 2.9Å; L436-S439 VanDerWaalsContact O-N 3.09Å; L436-S439 PolarHBondContact O-OG 2.93Å |
| 437 | A | 93 | Very high | 89.2 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58 | -42.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V386 V433 S439 S441 V502 I505 T506 | V386-A437 HydrophobicContact CG1-CB 3.58Å; V433-A437 PolarHBondContact O-N 3.08Å; A437-S439 VanDerWaalsContact C-N 3.3Å; A437-S439 PolarHBondContact O-N 3.13Å; A437-S441 PolarHBondContact O-N 2.99Å; A437-V502 HydrophobicContact CB-CG1 4.05Å; A437-I505 HydrophobicContact CB-CD1 3.94Å; A437-T506 HydrophobicContact CB-CG2 4.42Å |
| 438 | C | 90.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 175.4 | -71.8 | 0 | 0 | 0 | 0 | 112.8 | G276 A434 N435 L436 I440 S441 V447 V450 | G276-C438 WeakPolarHBondContact CA-O 3.46Å; A434-C438 PolarHBondContact O-N 3.28Å; A434-C438 PolarHBondContact O-SG 2.85Å; N435-C438 WeakPolarHBondContact O-CB 3.38Å; N435-C438 PolarHBondContact O-N 3.09Å; L436-C438 VanDerWaalsContact C-N 3.29Å; L436-C438 PolarHBondContact O-N 3.38Å; C438-I440 PolarHBondContact O-N 3.38Å; C438-S441 PolarHBondContact O-N 3.44Å; C438-V447 HydrophobicContact CB-CG1 3.94Å; C438-V447 HydrophobicContact CB-CG2 4.34Å; C438-V450 VanDerWaalsContact SG-CB 3.59Å; C438-V450 WeakPolarHBondContact SG-CG1 3.19Å |
| 439 | S | 88.7 | Confident | 88.1 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -28.6 | -172.8 | 76.6 | 0 | 0 | 0 | 0 | 113.9 | G276 E277 L278 A279 N435 L436 A437 | G276-S439 CarbonylContact C-O 3.04Å; G276-S439 VanDerWaalsContact C-O 3.23Å; G276-S439 VanDerWaalsContact CA-O 3.24Å; G276-S439 WeakPolarHBondContact CA-O 3.47Å; E277-S439 PolarHBondContact N-O 3.25Å; L278-S439 WeakPolarHBondContact CA-O 3.41Å; L278-S439 WeakPolarHBondContact CB-O 3.3Å; L278-S439 PolarHBondContact N-O 3.25Å; A279-S439 PolarHBondContact N-O 3.47Å; N435-S439 PolarHBondContact O-N 2.96Å; L436-S439 WeakPolarHBondContact O-CB 3.26Å; L436-S439 PolarHBondContact O-N 2.9Å; L436-S439 VanDerWaalsContact O-N 3.09Å; L436-S439 PolarHBondContact O-OG 2.93Å; A437-S439 VanDerWaalsContact C-N 3.3Å; A437-S439 PolarHBondContact O-N 3.13Å |
| 440 | I | 87.9 | Confident | 88 | Confident | 28 Ų | 28 | 34.3 Ų | 34.3 | 14% | 0.144 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -107.8 | -3.4 | -176.6 | 61 | 159.9 | 0 | 0 | 0 | 114.2 | L278 A279 M319 L382 R383 V386 C438 | L278-I440 HydrophobicContact CD2-CG2 3.98Å; L278-I440 HydrophobicContact CG-CG2 4.42Å; A279-I440 WeakPolarHBondContact CB-O 3.41Å; M319-I440 HydrophobicContact CE-CG2 4.13Å; L382-I440 HydrophobicContact CB-CG2 4.28Å; R383-I440 HydrophobicContact CB-CD1 4.4Å; R383-I440 HydrophobicContact CG-CD1 4.07Å; V386-I440 HydrophobicContact CB-CD1 3.87Å; V386-I440 HydrophobicContact CG1-CD1 4.44Å; V386-I440 HydrophobicContact CG2-CD1 3.37Å; V386-I440 HydrophobicContact CG2-CG1 3.9Å; C438-I440 PolarHBondContact O-N 3.38Å |
| 441 | S | 85.9 | Confident | 87.6 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 8% | 0.077 | 19% | 0.193 | C | C | . | . | trans | -83.4 | 141 | 179.8 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | G276 A437 C438 N443 I505 | G276-S441 PolarHBondContact N-O 3.21Å; A437-S441 PolarHBondContact O-N 2.99Å; C438-S441 PolarHBondContact O-N 3.44Å; S441-N443 PolarHBondContact OG-N 2.84Å; S441-I505 PolarHBondContact OG-O 3.41Å | ||
| 442 | N | 78.6 | Confident | 87.2 | Confident | 96 Ų | 96 | 40.4 Ų | 40.4 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | trans | -93.9 | -1.8 | 171.4 | -63.9 | -64.2 | 0 | 0 | 0 | 112.5 | N283 E444 | N283-N442 PolarHBondContact ND2-OD1 2.89Å; N442-E444 PolarHBondContact O-N 3.01Å | ||
| 443 | N | 77.4 | Confident | 87.1 | Confident | 68 Ų | 68 | 37.3 Ų | 37.3 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | trans | -84.2 | 92.3 | 180 | -176.2 | -7.4 | 0 | 0 | 0 | 110.1 | S441 E445 G446 V447 I505 | S441-N443 PolarHBondContact OG-N 2.84Å; N443-E445 VanDerWaalsContact C-N 3.35Å; N443-E445 PolarHBondContact O-N 3.18Å; N443-E445 PolarHBondContact OD1-N 3.49Å; N443-G446 PolarHBondContact O-N 3.43Å; N443-G446 PolarHBondContact OD1-N 3.03Å; N443-V447 WeakPolarHBondContact O-CB 3.29Å; N443-V447 VanDerWaalsContact O-CG2 3.23Å; N443-V447 WeakPolarHBondContact O-CG2 3.12Å; N443-V447 PolarHBondContact O-N 3.25Å; N443-I505 HydrophobicContact CB-CG2 4.29Å | ||
| 444 | E | 77.8 | Confident | 87 | Confident | 85 Ų | 85 | 37.5 Ų | 37.5 | 40% | 0.397 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.2 | -42.9 | -175.5 | -50.5 | -160.6 | 139.4 | 0 | 0 | 112.9 | G274 G275 N442 K448 | G274-E444 WeakPolarHBondContact CA-OE1 3.48Å; G274-E444 PolarHBondContact N-OE1 2.85Å; G275-E444 PolarHBondContact N-OE1 3.26Å; N442-E444 PolarHBondContact O-N 3.01Å; E444-K448 WeakPolarHBondContact O-CB 3.23Å; E444-K448 PolarHBondContact O-N 3.35Å; E444-K448 VanDerWaalsContact O-N 3.14Å |
| 445 | E | 78 | Confident | 86.6 | Confident | 90 Ų | 90 | 40.3 Ų | 40.3 | 42% | 0.421 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.1 | -44.2 | 179.6 | -67.3 | -61.2 | 136 | 0 | 0 | 111.5 | N443 K448 L449 | N443-E445 VanDerWaalsContact C-N 3.35Å; N443-E445 PolarHBondContact O-N 3.18Å; N443-E445 PolarHBondContact OD1-N 3.49Å; E445-K448 WeakPolarHBondContact O-CB 3.48Å; E445-K448 PolarHBondContact O-N 2.99Å; E445-L449 PolarHBondContact O-N 2.9Å; E445-L449 VanDerWaalsContact O-N 3.14Å |
| 446 | G | 84.9 | Confident | 86.5 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 6% | 0.062 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N443 K448 L449 V450 I505 | N443-G446 PolarHBondContact O-N 3.43Å; N443-G446 PolarHBondContact OD1-N 3.03Å; G446-K448 PolarHBondContact O-N 3.24Å; G446-L449 WeakPolarHBondContact O-CB 3.32Å; G446-L449 PolarHBondContact O-N 2.91Å; G446-L449 VanDerWaalsContact O-N 3.09Å; G446-V450 WeakPolarHBondContact O-CG2 3.16Å; G446-V450 PolarHBondContact O-N 3.02Å; G446-I505 VanDerWaalsContact CA-CG2 3.41Å |
| 447 | V | 86.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.4 | -39.7 | 176.9 | 165.3 | 0 | 0 | 0 | 0 | 111.2 | C438 N443 V450 R451 | C438-V447 HydrophobicContact CB-CG1 3.94Å; C438-V447 HydrophobicContact CB-CG2 4.34Å; N443-V447 WeakPolarHBondContact O-CB 3.29Å; N443-V447 VanDerWaalsContact O-CG2 3.23Å; N443-V447 WeakPolarHBondContact O-CG2 3.12Å; N443-V447 PolarHBondContact O-N 3.25Å; V447-V450 PolarHBondContact O-N 3.45Å; V447-R451 WeakPolarHBondContact O-CB 3.35Å; V447-R451 WeakPolarHBondContact O-CG 3.19Å; V447-R451 PolarHBondContact O-N 3.43Å |
| 448 | K | 82.5 | Confident | 86.5 | Confident | 55 Ų | 55 | 44 Ų | 44 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 176.4 | -176 | -173.6 | -179.1 | -170.9 | 0 | 112.2 | V201 G202 D205 E444 E445 G446 M452 | V201-K448 PolarHBondContact O-NZ 2.74Å; V201-K448 VanDerWaalsContact O-NZ 3.15Å; G202-K448 PolarHBondContact O-NZ 3.25Å; D205-K448 VanDerWaalsContact CB-NZ 3.34Å; D205-K448 IonicContact OD2-NZ 3.42Å; D205-K448 PolarHBondContact OD2-NZ 3.45Å; E444-K448 WeakPolarHBondContact O-CB 3.23Å; E444-K448 PolarHBondContact O-N 3.35Å; E444-K448 VanDerWaalsContact O-N 3.14Å; E445-K448 WeakPolarHBondContact O-CB 3.48Å; E445-K448 PolarHBondContact O-N 2.99Å; G446-K448 PolarHBondContact O-N 3.24Å; K448-M452 VanDerWaalsContact O-CB 3.29Å; K448-M452 WeakPolarHBondContact O-CB 3.22Å; K448-M452 PolarHBondContact O-N 2.92Å |
| 449 | L | 86.4 | Confident | 86.4 | Confident | 77 Ų | 77 | 45.6 Ų | 45.6 | 40% | 0.403 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -44 | 176.1 | -71.5 | 173.7 | 0 | 0 | 0 | 111.7 | E445 G446 M452 S453 | E445-L449 PolarHBondContact O-N 2.9Å; E445-L449 VanDerWaalsContact O-N 3.14Å; G446-L449 WeakPolarHBondContact O-CB 3.32Å; G446-L449 PolarHBondContact O-N 2.91Å; G446-L449 VanDerWaalsContact O-N 3.09Å; L449-M452 HydrophobicContact CD2-CE 3.75Å; L449-M452 PolarHBondContact O-N 3.39Å; L449-S453 WeakPolarHBondContact O-CB 3.21Å; L449-S453 PolarHBondContact O-N 2.83Å |
| 450 | V | 91 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.6 | -51.9 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | A434 C438 G446 V447 M452 S453 A454 L498 A501 V502 I505 | A434-V450 HydrophobicContact CB-CG1 3.74Å; C438-V450 VanDerWaalsContact SG-CB 3.59Å; C438-V450 WeakPolarHBondContact SG-CG1 3.19Å; G446-V450 WeakPolarHBondContact O-CG2 3.16Å; G446-V450 PolarHBondContact O-N 3.02Å; V447-V450 PolarHBondContact O-N 3.45Å; V450-M452 VanDerWaalsContact C-N 3.27Å; V450-M452 PolarHBondContact O-N 2.91Å; V450-S453 PolarHBondContact O-N 3.3Å; V450-S453 VanDerWaalsContact O-N 3.14Å; V450-A454 WeakPolarHBondContact O-CB 3.35Å; V450-A454 PolarHBondContact O-N 3.06Å; V450-L498 HydrophobicContact CG1-CD1 4.19Å; V450-A501 HydrophobicContact CG2-CB 3.8Å; V450-A501 WeakPolarHBondContact CG2-O 3.39Å; V450-V502 HydrophobicContact CG1-CG2 3.71Å; V450-V502 HydrophobicContact CG2-CG2 4.05Å; V450-I505 HydrophobicContact CB-CD1 4.42Å; V450-I505 HydrophobicContact CG2-CD1 3.81Å; V450-I505 HydrophobicContact CG2-CG1 4.1Å; V450-I505 HydrophobicContact CG2-CG2 4.42Å |
| 451 | R | 88.8 | Confident | 87 | Confident | 94 Ų | 94 | 43.5 Ų | 43.5 | 36% | 0.355 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.3 | -39.3 | 178.4 | -74.9 | 175.4 | 171.6 | 166.5 | -7.3 | 112.1 | E277 V447 S455 | E277-R451 IonicContact OE1-NH2 2.77Å; V447-R451 WeakPolarHBondContact O-CB 3.35Å; V447-R451 WeakPolarHBondContact O-CG 3.19Å; V447-R451 PolarHBondContact O-N 3.43Å; R451-S455 PolarHBondContact O-N 3.16Å |
| 452 | M | 85.1 | Confident | 87.4 | Confident | 55 Ų | 55 | 44.7 Ų | 44.7 | 27% | 0.271 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.3 | -49 | 174.7 | -179.9 | 179 | 68.1 | 0 | 0 | 111.4 | A209 K448 L449 V450 A454 S455 Q456 | A209-M452 HydrophobicContact CB-CG 4.33Å; A209-M452 HydrophobicContact CB-SD 3.3Å; A209-M452 WeakPolarHBondContact CB-SD 3.46Å; K448-M452 VanDerWaalsContact O-CB 3.29Å; K448-M452 WeakPolarHBondContact O-CB 3.22Å; K448-M452 PolarHBondContact O-N 2.92Å; L449-M452 HydrophobicContact CD2-CE 3.75Å; L449-M452 PolarHBondContact O-N 3.39Å; V450-M452 VanDerWaalsContact C-N 3.27Å; V450-M452 PolarHBondContact O-N 2.91Å; M452-A454 VanDerWaalsContact C-N 3.34Å; M452-A454 PolarHBondContact O-N 3.4Å; M452-S455 PolarHBondContact O-N 3.43Å; M452-S455 PolarHBondContact O-OG 3.22Å; M452-Q456 WeakPolarHBondContact O-CG 3.35Å; M452-Q456 PolarHBondContact O-N 3.03Å; M452-Q456 VanDerWaalsContact O-N 3.11Å |
| 453 | S | 91.6 | Very high | 88 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 178.4 | -170.7 | 0 | 0 | 0 | 0 | 112 | L449 V450 S455 Q456 L457 Q494 L498 | L449-S453 WeakPolarHBondContact O-CB 3.21Å; L449-S453 PolarHBondContact O-N 2.83Å; V450-S453 PolarHBondContact O-N 3.3Å; V450-S453 VanDerWaalsContact O-N 3.14Å; S453-S455 PolarHBondContact O-N 2.93Å; S453-Q456 WeakPolarHBondContact O-CB 3.3Å; S453-Q456 PolarHBondContact O-N 3.31Å; S453-L457 PolarHBondContact O-N 3.44Å; S453-Q494 PolarHBondContact OG-NE2 3.45Å; S453-L498 VanDerWaalsContact OG-CA 3.26Å; S453-L498 WeakPolarHBondContact OG-CA 3.41Å; S453-L498 WeakPolarHBondContact OG-CB 3.38Å; S453-L498 PolarHBondContact OG-N 3.44Å |
| 454 | A | 92.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 37 Ų | 37 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I431 V450 M452 Q456 L457 E458 L498 | I431-A454 HydrophobicContact CG1-CB 4.48Å; I431-A454 HydrophobicContact CG2-CB 4.28Å; V450-A454 WeakPolarHBondContact O-CB 3.35Å; V450-A454 PolarHBondContact O-N 3.06Å; M452-A454 VanDerWaalsContact C-N 3.34Å; M452-A454 PolarHBondContact O-N 3.4Å; A454-Q456 VanDerWaalsContact C-N 3.3Å; A454-Q456 PolarHBondContact O-N 3.26Å; A454-L457 PolarHBondContact O-N 3.28Å; A454-E458 PolarHBondContact O-N 3.43Å; A454-L498 HydrophobicContact CB-CD1 4.07Å |
| 455 | S | 87.8 | Confident | 89.7 | Confident | 60 Ų | 60 | 33.2 Ų | 33.2 | 42% | 0.42 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.1 | -34.9 | 176.1 | 74.6 | 0 | 0 | 0 | 0 | 113 | R451 M452 S453 A459 | R451-S455 PolarHBondContact O-N 3.16Å; M452-S455 PolarHBondContact O-N 3.43Å; M452-S455 PolarHBondContact O-OG 3.22Å; S453-S455 PolarHBondContact O-N 2.93Å; S455-A459 WeakPolarHBondContact O-CB 3.49Å; S455-A459 PolarHBondContact O-N 2.95Å; S455-A459 VanDerWaalsContact O-N 3.1Å |
| 456 | Q | 88.2 | Confident | 90.4 | Very high | 49 Ų | 49 | 30.3 Ų | 30.3 | 23% | 0.229 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.2 | -39.2 | 175.6 | -70.7 | 172.8 | 1.3 | 0 | 0 | 111.3 | M452 S453 A454 A459 L460 Q494 | M452-Q456 WeakPolarHBondContact O-CG 3.35Å; M452-Q456 PolarHBondContact O-N 3.03Å; M452-Q456 VanDerWaalsContact O-N 3.11Å; S453-Q456 WeakPolarHBondContact O-CB 3.3Å; S453-Q456 PolarHBondContact O-N 3.31Å; A454-Q456 VanDerWaalsContact C-N 3.3Å; A454-Q456 PolarHBondContact O-N 3.26Å; Q456-A459 PolarHBondContact O-N 2.95Å; Q456-L460 VanDerWaalsContact O-CB 3.28Å; Q456-L460 WeakPolarHBondContact O-CB 3.5Å; Q456-L460 PolarHBondContact O-N 3.04Å; Q456-Q494 HydrophobicContact CB-CG 4.45Å |
| 457 | L | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.7 | -43.9 | 176.4 | -167 | 68.5 | 0 | 0 | 0 | 111.5 | L430 I431 S453 A454 A459 L460 C461 W491 Q494 V495 L498 | L430-L457 HydrophobicContact CB-CD2 4.38Å; L430-L457 HydrophobicContact CD1-CD2 4.34Å; I431-L457 HydrophobicContact CG1-CD2 4.4Å; S453-L457 PolarHBondContact O-N 3.44Å; A454-L457 PolarHBondContact O-N 3.28Å; L457-A459 VanDerWaalsContact C-N 3.3Å; L457-A459 PolarHBondContact O-N 2.87Å; L457-L460 PolarHBondContact O-N 3.26Å; L457-L460 VanDerWaalsContact O-N 3.13Å; L457-C461 PolarHBondContact O-N 3.32Å; L457-W491 HydrophobicContact CD1-CD2 4.18Å; L457-W491 HydrophobicContact CD1-CE3 3.75Å; L457-W491 HydrophobicContact CD1-CH2 3.58Å; L457-W491 HydrophobicContact CD1-CZ2 4.04Å; L457-W491 HydrophobicContact CD1-CZ3 3.43Å; L457-W491 VanDerWaalsContact CD1-CZ3 3.43Å; L457-W491 HydrophobicContact CD2-CH2 4.3Å; L457-W491 HydrophobicContact CG-CH2 3.76Å; L457-W491 HydrophobicContact CG-CZ2 4.44Å; L457-W491 HydrophobicContact CG-CZ3 3.89Å; L457-Q494 HydrophobicContact CB-CG 4.15Å; L457-Q494 HydrophobicContact CD1-CB 3.99Å; L457-Q494 HydrophobicContact CD1-CG 3.79Å; L457-V495 HydrophobicContact CD1-CG2 3.73Å; L457-V495 HydrophobicContact CD2-CG2 4.31Å; L457-L498 HydrophobicContact CD2-CD2 3.56Å |
| 458 | E | 93.7 | Very high | 91.2 | Very high | 118 Ų | 118 | 30.1 Ų | 30.1 | 55% | 0.551 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -55.6 | -46.4 | 174.4 | -172.2 | -177.8 | -157.5 | 0 | 0 | 111.1 | I431 A454 L460 P462 | I431-E458 HydrophobicContact CD1-CB 3.75Å; I431-E458 HydrophobicContact CD1-CG 4.32Å; A454-E458 PolarHBondContact O-N 3.43Å; E458-L460 VanDerWaalsContact C-N 3.31Å; E458-L460 PolarHBondContact O-N 3.01Å; E458-P462 WeakPolarHBondContact O-CD 3.38Å |
| 459 | A | 88.8 | Confident | 91.7 | Very high | 35 Ų | 35 | 29.4 Ų | 29.4 | 29% | 0.289 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -75 | -20.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q247 S455 Q456 L457 Q463 | Q247-A459 PolarHBondContact NE2-O 3.17Å; S455-A459 WeakPolarHBondContact O-CB 3.49Å; S455-A459 PolarHBondContact O-N 2.95Å; S455-A459 VanDerWaalsContact O-N 3.1Å; Q456-A459 PolarHBondContact O-N 2.95Å; L457-A459 VanDerWaalsContact C-N 3.3Å; L457-A459 PolarHBondContact O-N 2.87Å; A459-Q463 PolarHBondContact O-NE2 2.9Å |
| 460 | L | 92.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -83 | -37.9 | 176.4 | -177.9 | 58.4 | 0 | 0 | 0 | 112.5 | Q456 L457 E458 Q463 V464 F487 Q490 W491 Q494 | Q456-L460 VanDerWaalsContact O-CB 3.28Å; Q456-L460 WeakPolarHBondContact O-CB 3.5Å; Q456-L460 PolarHBondContact O-N 3.04Å; L457-L460 PolarHBondContact O-N 3.26Å; L457-L460 VanDerWaalsContact O-N 3.13Å; E458-L460 VanDerWaalsContact C-N 3.31Å; E458-L460 PolarHBondContact O-N 3.01Å; L460-Q463 HydrophobicContact CD1-CB 4.44Å; L460-Q463 WeakPolarHBondContact O-CA 3.4Å; L460-Q463 WeakPolarHBondContact O-CB 3.22Å; L460-Q463 PolarHBondContact O-N 3.4Å; L460-V464 HydrophobicContact CD1-CG2 4.32Å; L460-V464 HydrophobicContact CG-CG2 4.1Å; L460-V464 PolarHBondContact O-N 3.1Å; L460-F487 HydrophobicContact CD1-CD1 3.95Å; L460-F487 HydrophobicContact CD1-CE1 4.1Å; L460-Q490 HydrophobicContact CD1-CG 4.13Å; L460-Q490 HydrophobicContact CD2-CG 3.91Å; L460-W491 HydrophobicContact CD2-CE3 4.04Å; L460-W491 HydrophobicContact CG-CE3 4.08Å; L460-Q494 HydrophobicContact CD2-CB 3.9Å; L460-Q494 HydrophobicContact CD2-CG 4.35Å |
| 461 | C | 95.7 | Very high | 92 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -45.9 | -52.3 | -178.1 | 179.7 | 0 | 0 | 0 | 0 | 114.2 | A427 L457 Q463 V464 I465 W491 | A427-C461 HydrophobicContact CB-CB 4.38Å; L457-C461 PolarHBondContact O-N 3.32Å; C461-Q463 VanDerWaalsContact C-N 3.26Å; C461-Q463 PolarHBondContact O-N 3.05Å; C461-V464 PolarHBondContact O-N 2.87Å; C461-I465 WeakPolarHBondContact O-CG1 3.45Å; C461-I465 PolarHBondContact O-N 3.27Å; C461-W491 HydrophobicContact CB-CH2 4.16Å; C461-W491 HydrophobicContact CB-CZ3 3.85Å |
| 462 | P | 94.6 | Very high | 92.3 | Very high | 36 Ų | 36 | 21.6 Ų | 21.6 | 23% | 0.234 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.6 | -24.4 | 179.4 | 26.2 | -35.1 | 0 | 0 | 0 | 113.7 | L243 E458 N466 | L243-P462 HydrophobicContact CD1-CB 4.17Å; L243-P462 HydrophobicContact CD1-CG 3.85Å; E458-P462 WeakPolarHBondContact O-CD 3.38Å; P462-N466 WeakPolarHBondContact O-CB 3.32Å; P462-N466 PolarHBondContact O-N 2.95Å; P462-N466 PolarHBondContact O-ND2 3.21Å; P462-N466 VanDerWaalsContact O-ND2 3.17Å |
| 463 | Q | 91.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.1 | -40.9 | 177.6 | -60 | 179.4 | 54.3 | 0 | 0 | 111.6 | N240 L243 Q247 A459 L460 C461 I465 N466 A467 F487 | N240-Q463 WeakPolarHBondContact OD1-CA 3.35Å; N240-Q463 WeakPolarHBondContact OD1-CB 3.49Å; N240-Q463 WeakPolarHBondContact OD1-CG 3.4Å; L243-Q463 HydrophobicContact CD2-CG 3.58Å; Q247-Q463 VanDerWaalsContact CD-NE2 3.31Å; A459-Q463 PolarHBondContact O-NE2 2.9Å; L460-Q463 HydrophobicContact CD1-CB 4.44Å; L460-Q463 WeakPolarHBondContact O-CA 3.4Å; L460-Q463 WeakPolarHBondContact O-CB 3.22Å; L460-Q463 PolarHBondContact O-N 3.4Å; C461-Q463 VanDerWaalsContact C-N 3.26Å; C461-Q463 PolarHBondContact O-N 3.05Å; Q463-I465 VanDerWaalsContact C-N 3.34Å; Q463-N466 PolarHBondContact O-N 2.7Å; Q463-A467 PolarHBondContact O-N 3.29Å; Q463-F487 HydrophobicContact CB-CD1 4.08Å; Q463-F487 HydrophobicContact CB-CE1 3.55Å; Q463-F487 HydrophobicContact CB-CZ 4.04Å; Q463-F487 HydrophobicContact CG-CE1 4.43Å |
| 464 | V | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | L401 F423 L460 C461 N466 A467 A468 M484 F487 W491 | L401-V464 HydrophobicContact CD1-CG1 3.44Å; L401-V464 VanDerWaalsContact CD1-CG1 3.44Å; F423-V464 HydrophobicContact CE1-CB 4.06Å; F423-V464 HydrophobicContact CE1-CG1 3.98Å; F423-V464 HydrophobicContact CZ-CB 4.19Å; F423-V464 HydrophobicContact CZ-CG1 3.87Å; L460-V464 HydrophobicContact CD1-CG2 4.32Å; L460-V464 HydrophobicContact CG-CG2 4.1Å; L460-V464 PolarHBondContact O-N 3.1Å; C461-V464 PolarHBondContact O-N 2.87Å; V464-N466 VanDerWaalsContact C-N 3.35Å; V464-N466 PolarHBondContact O-N 3.46Å; V464-A467 WeakPolarHBondContact O-CB 3.1Å; V464-A467 PolarHBondContact O-N 2.98Å; V464-A468 PolarHBondContact O-N 2.9Å; V464-M484 HydrophobicContact CG1-CE 3.95Å; V464-F487 HydrophobicContact CG2-CB 4.27Å; V464-F487 HydrophobicContact CG2-CD1 4.41Å; V464-W491 HydrophobicContact CG2-CB 4.23Å; V464-W491 HydrophobicContact CG2-CE3 3.96Å |
| 465 | I | 95.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.036 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 176.2 | -65.4 | 168.1 | 0 | 0 | 0 | 111.2 | A420 F423 R424 C461 Q463 A467 A468 L469 | A420-I465 HydrophobicContact CB-CB 4.47Å; A420-I465 HydrophobicContact CB-CD1 4.3Å; A420-I465 HydrophobicContact CB-CG1 4.09Å; A420-I465 HydrophobicContact CB-CG2 3.65Å; F423-I465 HydrophobicContact CD1-CD1 4.13Å; F423-I465 HydrophobicContact CD1-CG1 3.83Å; F423-I465 HydrophobicContact CE1-CG1 4.17Å; R424-I465 HydrophobicContact CB-CD1 4.22Å; C461-I465 WeakPolarHBondContact O-CG1 3.45Å; C461-I465 PolarHBondContact O-N 3.27Å; Q463-I465 VanDerWaalsContact C-N 3.34Å; I465-A467 VanDerWaalsContact C-N 3.33Å; I465-A467 PolarHBondContact O-N 3.2Å; I465-A468 PolarHBondContact O-N 3.47Å; I465-L469 HydrophobicContact CG2-CD1 4.08Å; I465-L469 HydrophobicContact CG2-CG 4.47Å; I465-L469 WeakPolarHBondContact O-CG 3.48Å; I465-L469 PolarHBondContact O-N 3.45Å |
| 466 | N | 92.3 | Very high | 92.6 | Very high | 29 Ų | 29 | 30.5 Ų | 30.5 | 16% | 0.155 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -36.1 | 178 | -71.4 | -25.1 | 0 | 0 | 0 | 112.4 | N240 P462 Q463 V464 A470 | N240-N466 HydrophobicContact CB-CB 4.01Å; P462-N466 WeakPolarHBondContact O-CB 3.32Å; P462-N466 PolarHBondContact O-N 2.95Å; P462-N466 PolarHBondContact O-ND2 3.21Å; P462-N466 VanDerWaalsContact O-ND2 3.17Å; Q463-N466 PolarHBondContact O-N 2.7Å; V464-N466 VanDerWaalsContact C-N 3.35Å; V464-N466 PolarHBondContact O-N 3.46Å; N466-A470 WeakPolarHBondContact O-CB 3.44Å; N466-A470 PolarHBondContact O-N 3.12Å |
| 467 | A | 92.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q463 V464 I465 A470 L471 M484 F487 | Q463-A467 PolarHBondContact O-N 3.29Å; V464-A467 WeakPolarHBondContact O-CB 3.1Å; V464-A467 PolarHBondContact O-N 2.98Å; I465-A467 VanDerWaalsContact C-N 3.33Å; I465-A467 PolarHBondContact O-N 3.2Å; A467-A470 PolarHBondContact O-N 3.43Å; A467-L471 PolarHBondContact O-N 3.36Å; A467-M484 HydrophobicContact CB-CE 4.24Å; A467-M484 HydrophobicContact CB-SD 3.87Å; A467-F487 HydrophobicContact CB-CB 4.27Å; A467-F487 HydrophobicContact CB-CD2 3.66Å; A467-F487 HydrophobicContact CB-CE2 4.41Å; A467-F487 HydrophobicContact CB-CG 4.2Å |
| 468 | A | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L404 A408 V416 V464 I465 A470 L471 A472 M484 | L404-A468 HydrophobicContact CD1-CB 4.02Å; L404-A468 HydrophobicContact CD2-CB 4.09Å; L404-A468 HydrophobicContact CG-CB 3.83Å; A408-A468 HydrophobicContact CB-CB 4.19Å; A408-A468 WeakPolarHBondContact CB-O 3.38Å; V416-A468 HydrophobicContact CG1-CB 4.07Å; V464-A468 PolarHBondContact O-N 2.9Å; I465-A468 PolarHBondContact O-N 3.47Å; A468-A470 VanDerWaalsContact C-N 3.31Å; A468-A470 PolarHBondContact O-N 3.07Å; A468-L471 PolarHBondContact O-N 2.84Å; A468-A472 WeakPolarHBondContact O-CB 3.43Å; A468-A472 PolarHBondContact O-N 2.86Å; A468-M484 VanDerWaalsContact CA-SD 3.57Å; A468-M484 HydrophobicContact CB-SD 3.89Å; A468-M484 PolarHBondContact N-SD 3.21Å; A468-M484 VanDerWaalsContact N-SD 3.39Å |
| 469 | L | 92.8 | Very high | 92.1 | Very high | 41 Ų | 41 | 31.7 Ų | 31.7 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 175.4 | -73.8 | 170.4 | 0 | 0 | 0 | 112.4 | A236 V416 K417 I465 A472 A473 | A236-L469 HydrophobicContact CB-CB 4.11Å; V416-L469 HydrophobicContact CG1-CD2 3.7Å; V416-L469 HydrophobicContact CG1-CG 4.08Å; K417-L469 HydrophobicContact CG-CD2 3.87Å; I465-L469 HydrophobicContact CG2-CD1 4.08Å; I465-L469 HydrophobicContact CG2-CG 4.47Å; I465-L469 WeakPolarHBondContact O-CG 3.48Å; I465-L469 PolarHBondContact O-N 3.45Å; L469-A472 PolarHBondContact O-N 3.36Å; L469-A473 PolarHBondContact O-N 2.95Å; L469-A473 VanDerWaalsContact O-N 3.11Å |
| 470 | A | 90.3 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.1 | -39.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V234 A236 Y237 N466 A467 A468 A473 K474 | V234-A470 HydrophobicContact CG1-CB 4.11Å; A236-A470 HydrophobicContact CB-CB 4.02Å; Y237-A470 HydrophobicContact CD1-CB 3.74Å; Y237-A470 HydrophobicContact CD2-CB 4.45Å; Y237-A470 HydrophobicContact CE1-CB 3.32Å; Y237-A470 HydrophobicContact CE2-CB 4.06Å; Y237-A470 HydrophobicContact CG-CB 4.28Å; Y237-A470 VanDerWaalsContact CZ-CB 3.49Å; N466-A470 WeakPolarHBondContact O-CB 3.44Å; N466-A470 PolarHBondContact O-N 3.12Å; A467-A470 PolarHBondContact O-N 3.43Å; A468-A470 VanDerWaalsContact C-N 3.31Å; A468-A470 PolarHBondContact O-N 3.07Å; A470-A473 PolarHBondContact O-N 3.43Å; A470-K474 PolarHBondContact O-N 3.4Å |
| 471 | L | 93.4 | Very high | 92 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 172.6 | 178.8 | 63.1 | 0 | 0 | 0 | 111.5 | A408 K409 A467 A468 A473 K474 P475 A480 Q481 M484 | A408-L471 HydrophobicContact CB-CB 4.16Å; A408-L471 HydrophobicContact CB-CD2 3.94Å; A408-L471 HydrophobicContact CB-CG 4.1Å; K409-L471 HydrophobicContact CG-CD2 4.05Å; A467-L471 PolarHBondContact O-N 3.36Å; A468-L471 PolarHBondContact O-N 2.84Å; L471-A473 VanDerWaalsContact C-N 3.3Å; L471-A473 PolarHBondContact O-N 3.41Å; L471-K474 CarbonylContact O-C 3.09Å; L471-K474 PolarHBondContact O-N 3.36Å; L471-K474 VanDerWaalsContact O-N 3.11Å; L471-P475 WeakPolarHBondContact O-CA 3.36Å; L471-P475 WeakPolarHBondContact O-CD 3.35Å; L471-A480 HydrophobicContact CB-CB 4.31Å; L471-A480 HydrophobicContact CD1-CB 3.81Å; L471-Q481 HydrophobicContact CD1-CG 3.78Å; L471-M484 HydrophobicContact CD2-CB 3.88Å; L471-M484 HydrophobicContact CD2-CG 3.83Å |
| 472 | A | 94.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.033 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A408 G411 E413 V416 A468 L469 K474 | A408-A472 HydrophobicContact CB-CB 4.38Å; A408-A472 WeakPolarHBondContact O-CA 2.95Å; G411-A472 WeakPolarHBondContact CA-O 3.24Å; E413-A472 HydrophobicContact CG-CB 4.03Å; V416-A472 HydrophobicContact CB-CB 4.35Å; V416-A472 HydrophobicContact CG1-CB 4.46Å; V416-A472 HydrophobicContact CG2-CB 3.88Å; A468-A472 WeakPolarHBondContact O-CB 3.43Å; A468-A472 PolarHBondContact O-N 2.86Å; L469-A472 PolarHBondContact O-N 3.36Å; A472-K474 VanDerWaalsContact C-N 3.33Å |
| 473 | A | 90.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 37 Ų | 37 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -71 | -28 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | L469 A470 L471 | L469-A473 PolarHBondContact O-N 2.95Å; L469-A473 VanDerWaalsContact O-N 3.11Å; A470-A473 PolarHBondContact O-N 3.43Å; L471-A473 VanDerWaalsContact C-N 3.3Å; L471-A473 PolarHBondContact O-N 3.41Å |
| 474 | K | 89.6 | Confident | 91.4 | Very high | 72 Ų | 72 | 37 Ų | 37 | 31% | 0.313 | 19% | 0.185 | S | C | . | . | trans | -140.7 | 68.2 | -177.6 | -57.6 | -70.8 | -178.5 | 178.6 | 0 | 111 | D233 V234 A470 L471 A472 Q476 S477 | D233-K474 WeakPolarHBondContact OD2-CE 3.5Å; D233-K474 IonicContact OD2-NZ 2.89Å; D233-K474 PolarHBondContact OD2-NZ 3Å; V234-K474 HydrophobicContact CG2-CG 4.09Å; A470-K474 PolarHBondContact O-N 3.4Å; L471-K474 CarbonylContact O-C 3.09Å; L471-K474 PolarHBondContact O-N 3.36Å; L471-K474 VanDerWaalsContact O-N 3.11Å; A472-K474 VanDerWaalsContact C-N 3.33Å; K474-Q476 PolarHBondContact O-N 3.27Å; K474-Q476 VanDerWaalsContact O-N 3.15Å; K474-S477 WeakPolarHBondContact O-CB 3.48Å; K474-S477 PolarHBondContact O-N 3.42Å | ||
| 475 | P | 92.4 | Very high | 91.3 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 22% | 0.221 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -25.4 | -170.6 | 23.4 | -33.8 | 0 | 0 | 0 | 113.5 | K409 L471 Q481 | K409-P475 WeakPolarHBondContact O-CB 3.42Å; L471-P475 WeakPolarHBondContact O-CA 3.36Å; L471-P475 WeakPolarHBondContact O-CD 3.35Å; P475-Q481 PolarHBondContact O-NE2 3.46Å |
| 476 | Q | 92.4 | Very high | 91 | Very high | 167 Ų | 167 | 43.3 Ų | 43.3 | 78% | 0.78 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -4.8 | 177.5 | -56.4 | -57.6 | -40 | 0 | 0 | 113.4 | K474 K478 | K474-Q476 PolarHBondContact O-N 3.27Å; K474-Q476 VanDerWaalsContact O-N 3.15Å; Q476-K478 PolarHBondContact O-N 3.33Å |
| 477 | S | 88.9 | Confident | 90.9 | Very high | 21 Ų | 21 | 42 Ų | 42 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | trans | -74 | 116.6 | 178 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | H231 K474 L479 A480 Q481 | H231-S477 PolarHBondContact NE2-OG 3.46Å; K474-S477 WeakPolarHBondContact O-CB 3.48Å; K474-S477 PolarHBondContact O-N 3.42Å; S477-L479 PolarHBondContact O-N 2.91Å; S477-A480 WeakPolarHBondContact O-CB 3.47Å; S477-A480 PolarHBondContact O-N 3.39Å; S477-A480 PolarHBondContact OG-N 2.91Å; S477-Q481 PolarHBondContact O-N 2.9Å; S477-Q481 VanDerWaalsContact O-N 3.09Å | ||
| 478 | K | 89.7 | Confident | 91.1 | Very high | 142 Ų | 142 | 44.4 Ų | 44.4 | 62% | 0.617 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -56.7 | -38.7 | 176.5 | -163.6 | -173.4 | -175.6 | -127.4 | 0 | 111.8 | Q476 A480 Q481 E482 | Q476-K478 PolarHBondContact O-N 3.33Å; K478-A480 VanDerWaalsContact C-N 3.33Å; K478-A480 PolarHBondContact O-N 2.83Å; K478-Q481 PolarHBondContact O-N 3.41Å; K478-E482 WeakPolarHBondContact CE-OE1 3.38Å; K478-E482 HydrophobicContact CG-CG 4.48Å; K478-E482 IonicContact NZ-OE1 2.69Å; K478-E482 PolarHBondContact NZ-OE1 2.94Å; K478-E482 WeakPolarHBondContact O-CB 3.25Å; K478-E482 WeakPolarHBondContact O-CG 3.43Å; K478-E482 PolarHBondContact O-N 2.97Å |
| 479 | L | 85.3 | Confident | 91 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 177.2 | -175 | 148.2 | 0 | 0 | 0 | 111.6 | A227 Y237 S477 N483 | A227-L479 HydrophobicContact CB-CD1 4.4Å; A227-L479 HydrophobicContact CB-CD2 3.36Å; Y237-L479 HydrophobicContact CE1-CD2 4.39Å; S477-L479 PolarHBondContact O-N 2.91Å; L479-N483 WeakPolarHBondContact O-CB 3.49Å; L479-N483 PolarHBondContact O-N 3.27Å |
| 480 | A | 87.1 | Confident | 90.9 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y237 L471 S477 K478 M484 | Y237-A480 WeakPolarHBondContact OH-CA 3.28Å; Y237-A480 WeakPolarHBondContact OH-CB 3.5Å; L471-A480 HydrophobicContact CB-CB 4.31Å; L471-A480 HydrophobicContact CD1-CB 3.81Å; S477-A480 WeakPolarHBondContact O-CB 3.47Å; S477-A480 PolarHBondContact O-N 3.39Å; S477-A480 PolarHBondContact OG-N 2.91Å; K478-A480 VanDerWaalsContact C-N 3.33Å; K478-A480 PolarHBondContact O-N 2.83Å; A480-M484 WeakPolarHBondContact O-CB 3.49Å; A480-M484 PolarHBondContact O-N 3.03Å |
| 481 | Q | 91.3 | Very high | 91.2 | Very high | 80 Ų | 80 | 49.7 Ų | 49.7 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.3 | -52.9 | 175.8 | -65.2 | 171.6 | 16.5 | 0 | 0 | 110.8 | L471 P475 S477 K478 N483 M484 D485 | L471-Q481 HydrophobicContact CD1-CG 3.78Å; P475-Q481 PolarHBondContact O-NE2 3.46Å; S477-Q481 PolarHBondContact O-N 2.9Å; S477-Q481 VanDerWaalsContact O-N 3.09Å; K478-Q481 PolarHBondContact O-N 3.41Å; Q481-N483 VanDerWaalsContact C-N 3.28Å; Q481-N483 PolarHBondContact O-N 3.01Å; Q481-M484 PolarHBondContact O-N 3.44Å; Q481-M484 VanDerWaalsContact O-N 3.09Å; Q481-D485 PolarHBondContact O-N 3.42Å |
| 482 | E | 89.8 | Confident | 91.2 | Very high | 102 Ų | 102 | 52.2 Ų | 52.2 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.5 | -38.8 | 177.9 | -71.4 | 173.7 | -177.3 | 0 | 0 | 112 | K478 L486 | K478-E482 WeakPolarHBondContact CE-OE1 3.38Å; K478-E482 HydrophobicContact CG-CG 4.48Å; K478-E482 IonicContact NZ-OE1 2.69Å; K478-E482 PolarHBondContact NZ-OE1 2.94Å; K478-E482 WeakPolarHBondContact O-CB 3.25Å; K478-E482 WeakPolarHBondContact O-CG 3.43Å; K478-E482 PolarHBondContact O-N 2.97Å; E482-L486 PolarHBondContact O-N 2.7Å; E482-L486 VanDerWaalsContact O-N 3.09Å |
| 483 | N | 87.7 | Confident | 91.2 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.053 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69 | -38.6 | 176.6 | -175 | 73.8 | 0 | 0 | 0 | 112.3 | L479 Q481 F487 | L479-N483 WeakPolarHBondContact O-CB 3.49Å; L479-N483 PolarHBondContact O-N 3.27Å; Q481-N483 VanDerWaalsContact C-N 3.28Å; Q481-N483 PolarHBondContact O-N 3.01Å; N483-F487 VanDerWaalsContact O-CD2 3.25Å; N483-F487 WeakPolarHBondContact O-CD2 3.47Å; N483-F487 PolarHBondContact O-N 3.17Å; N483-F487 WeakPolarHBondContact OD1-CE2 3.34Å |
| 484 | M | 92.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 176.3 | -170.8 | 67.2 | -108.4 | 0 | 0 | 111.5 | L401 I405 V464 A467 A468 L471 A480 Q481 L486 F487 K488 | L401-M484 HydrophobicContact CD1-CE 4.47Å; I405-M484 HydrophobicContact CD1-CE 3.99Å; I405-M484 HydrophobicContact CD1-CG 4.45Å; I405-M484 HydrophobicContact CG1-CE 3.82Å; I405-M484 HydrophobicContact CG1-CG 4.04Å; I405-M484 HydrophobicContact CG1-SD 4.08Å; I405-M484 HydrophobicContact CG2-CG 4.24Å; V464-M484 HydrophobicContact CG1-CE 3.95Å; A467-M484 HydrophobicContact CB-CE 4.24Å; A467-M484 HydrophobicContact CB-SD 3.87Å; A468-M484 VanDerWaalsContact CA-SD 3.57Å; A468-M484 HydrophobicContact CB-SD 3.89Å; A468-M484 PolarHBondContact N-SD 3.21Å; A468-M484 VanDerWaalsContact N-SD 3.39Å; L471-M484 HydrophobicContact CD2-CB 3.88Å; L471-M484 HydrophobicContact CD2-CG 3.83Å; A480-M484 WeakPolarHBondContact O-CB 3.49Å; A480-M484 PolarHBondContact O-N 3.03Å; Q481-M484 PolarHBondContact O-N 3.44Å; Q481-M484 VanDerWaalsContact O-N 3.09Å; M484-L486 VanDerWaalsContact C-N 3.34Å; M484-L486 PolarHBondContact O-N 2.98Å; M484-F487 HydrophobicContact CE-CB 4.22Å; M484-F487 PolarHBondContact O-N 3.21Å; M484-K488 WeakPolarHBondContact O-CB 3.39Å; M484-K488 PolarHBondContact O-N 3.42Å |
| 485 | D | 92.2 | Very high | 91.7 | Very high | 75 Ų | 75 | 55 Ų | 55 | 40% | 0.401 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 177 | -70.1 | -28.3 | 0 | 0 | 0 | 111.5 | Q481 F487 K488 E489 | Q481-D485 PolarHBondContact O-N 3.42Å; D485-F487 PolarHBondContact O-N 2.98Å; D485-K488 WeakPolarHBondContact O-CB 3.45Å; D485-K488 PolarHBondContact O-N 2.83Å; D485-E489 PolarHBondContact O-N 2.93Å |
| 486 | L | 89.5 | Confident | 91.7 | Very high | 65 Ų | 65 | 60.2 Ų | 60.2 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.4 | -47.5 | 173.4 | 175.7 | 66.8 | 0 | 0 | 0 | 112 | E482 M484 Q490 | E482-L486 PolarHBondContact O-N 2.7Å; E482-L486 VanDerWaalsContact O-N 3.09Å; M484-L486 VanDerWaalsContact C-N 3.34Å; M484-L486 PolarHBondContact O-N 2.98Å; L486-Q490 VanDerWaalsContact O-CB 3.27Å; L486-Q490 WeakPolarHBondContact O-CB 3.38Å; L486-Q490 PolarHBondContact O-N 3.39Å |
| 487 | F | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.5 | -29.3 | -179.7 | -83 | -68.1 | 0 | 0 | 0 | 113 | I220 N240 I244 L460 Q463 V464 A467 N483 M484 D485 W491 | I220-F487 HydrophobicContact CG2-CZ 3.87Å; N240-F487 VanDerWaalsContact ND2-CE2 3.31Å; N240-F487 WeakPolarHBondContact ND2-CE2 3.04Å; N240-F487 WeakPolarHBondContact ND2-CZ 3.47Å; I244-F487 HydrophobicContact CD1-CZ 4.45Å; L460-F487 HydrophobicContact CD1-CD1 3.95Å; L460-F487 HydrophobicContact CD1-CE1 4.1Å; Q463-F487 HydrophobicContact CB-CD1 4.08Å; Q463-F487 HydrophobicContact CB-CE1 3.55Å; Q463-F487 HydrophobicContact CB-CZ 4.04Å; Q463-F487 HydrophobicContact CG-CE1 4.43Å; V464-F487 HydrophobicContact CG2-CB 4.27Å; V464-F487 HydrophobicContact CG2-CD1 4.41Å; A467-F487 HydrophobicContact CB-CB 4.27Å; A467-F487 HydrophobicContact CB-CD2 3.66Å; A467-F487 HydrophobicContact CB-CE2 4.41Å; A467-F487 HydrophobicContact CB-CG 4.2Å; N483-F487 VanDerWaalsContact O-CD2 3.25Å; N483-F487 WeakPolarHBondContact O-CD2 3.47Å; N483-F487 PolarHBondContact O-N 3.17Å; N483-F487 WeakPolarHBondContact OD1-CE2 3.34Å; M484-F487 HydrophobicContact CE-CB 4.22Å; M484-F487 PolarHBondContact O-N 3.21Å; D485-F487 PolarHBondContact O-N 2.98Å; F487-W491 WeakPolarHBondContact O-CB 3.36Å; F487-W491 PolarHBondContact O-N 3.49Å |
| 488 | K | 95.6 | Very high | 92.1 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -55.9 | 171.9 | 176.9 | -171.9 | 177.1 | -67.3 | 0 | 110.8 | L401 I405 M484 D485 Q490 W491 E492 | L401-K488 HydrophobicContact CD2-CG 4.17Å; I405-K488 HydrophobicContact CD1-CB 3.89Å; I405-K488 HydrophobicContact CD1-CD 3.9Å; I405-K488 HydrophobicContact CD1-CG 3.86Å; M484-K488 WeakPolarHBondContact O-CB 3.39Å; M484-K488 PolarHBondContact O-N 3.42Å; D485-K488 WeakPolarHBondContact O-CB 3.45Å; D485-K488 PolarHBondContact O-N 2.83Å; K488-Q490 VanDerWaalsContact C-N 3.25Å; K488-Q490 PolarHBondContact O-N 2.87Å; K488-W491 WeakPolarHBondContact O-CB 3.45Å; K488-W491 PolarHBondContact O-N 2.79Å; K488-W491 VanDerWaalsContact O-N 3.16Å; K488-E492 WeakPolarHBondContact CE-OE1 3.43Å; K488-E492 IonicContact NZ-OE1 3.71Å; K488-E492 PolarHBondContact NZ-OE1 3.04Å; K488-E492 IonicContact NZ-OE2 3.1Å; K488-E492 PolarHBondContact NZ-OE2 3.44Å; K488-E492 WeakPolarHBondContact O-CG 3.42Å; K488-E492 PolarHBondContact O-N 3.4Å |
| 489 | E | 93.5 | Very high | 92.4 | Very high | 130 Ų | 130 | 48.4 Ų | 48.4 | 61% | 0.607 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -59.6 | -39.2 | 178.7 | -69.2 | -179.3 | -175.9 | 0 | 0 | 111.6 | D485 K493 | D485-E489 PolarHBondContact O-N 2.93Å; E489-K493 WeakPolarHBondContact O-CB 3.18Å; E489-K493 PolarHBondContact O-N 3.36Å |
| 490 | Q | 90.7 | Very high | 92.7 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -37.1 | 178.7 | -172.9 | 171 | -46.8 | 0 | 0 | 112.7 | K216 L460 L486 K488 Q494 | K216-Q490 VanDerWaalsContact NZ-NE2 3.12Å; L460-Q490 HydrophobicContact CD1-CG 4.13Å; L460-Q490 HydrophobicContact CD2-CG 3.91Å; L486-Q490 VanDerWaalsContact O-CB 3.27Å; L486-Q490 WeakPolarHBondContact O-CB 3.38Å; L486-Q490 PolarHBondContact O-N 3.39Å; K488-Q490 VanDerWaalsContact C-N 3.25Å; K488-Q490 PolarHBondContact O-N 2.87Å; Q490-Q494 WeakPolarHBondContact O-CB 3.33Å; Q490-Q494 PolarHBondContact O-N 3.45Å |
| 491 | W | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -53.5 | 174.3 | -179.9 | -94.9 | 0 | 0 | 0 | 111 | L401 F423 A427 L457 L460 C461 V464 F487 K488 K493 Q494 V495 | L401-W491 HydrophobicContact CD2-CB 3.97Å; L401-W491 VanDerWaalsContact CD2-CD1 3.48Å; L401-W491 HydrophobicContact CD2-CG 3.87Å; F423-W491 HydrophobicContact CE1-CH2 4.29Å; F423-W491 HydrophobicContact CE1-CZ2 4.44Å; F423-W491 HydrophobicContact CE1-CZ3 4.33Å; F423-W491 AromaticContact CE2-CD2 3.93Å; F423-W491 HydrophobicContact CE2-CD2 3.93Å; F423-W491 AromaticContact CE2-CE2 3.39Å; F423-W491 HydrophobicContact CE2-CG 4.42Å; F423-W491 HydrophobicContact CE2-CH2 4.18Å; F423-W491 AromaticContact CE2-CZ2 3.53Å; F423-W491 HydrophobicContact CE2-CZ2 3.53Å; F423-W491 AromaticContact CE2-NE1 3.61Å; F423-W491 AromaticContact CZ-CD2 3.52Å; F423-W491 HydrophobicContact CZ-CD2 3.52Å; F423-W491 AromaticContact CZ-CE2 3.4Å; F423-W491 AromaticContact CZ-CE3 3.69Å; F423-W491 HydrophobicContact CZ-CE3 3.69Å; F423-W491 HydrophobicContact CZ-CG 4.25Å; F423-W491 AromaticContact CZ-CH2 3.64Å; F423-W491 HydrophobicContact CZ-CH2 3.64Å; F423-W491 AromaticContact CZ-CZ2 3.46Å; F423-W491 HydrophobicContact CZ-CZ2 3.46Å; F423-W491 VanDerWaalsContact CZ-CZ2 3.46Å; F423-W491 AromaticContact CZ-CZ3 3.75Å; F423-W491 HydrophobicContact CZ-CZ3 3.75Å; A427-W491 HydrophobicContact CB-CH2 3.51Å; A427-W491 HydrophobicContact CB-CZ2 3.99Å; L457-W491 HydrophobicContact CD1-CD2 4.18Å; L457-W491 HydrophobicContact CD1-CE3 3.75Å; L457-W491 HydrophobicContact CD1-CH2 3.58Å; L457-W491 HydrophobicContact CD1-CZ2 4.04Å; L457-W491 HydrophobicContact CD1-CZ3 3.43Å; L457-W491 VanDerWaalsContact CD1-CZ3 3.43Å; L457-W491 HydrophobicContact CD2-CH2 4.3Å; L457-W491 HydrophobicContact CG-CH2 3.76Å; L457-W491 HydrophobicContact CG-CZ2 4.44Å; L457-W491 HydrophobicContact CG-CZ3 3.89Å; L460-W491 HydrophobicContact CD2-CE3 4.04Å; L460-W491 HydrophobicContact CG-CE3 4.08Å; C461-W491 HydrophobicContact CB-CH2 4.16Å; C461-W491 HydrophobicContact CB-CZ3 3.85Å; V464-W491 HydrophobicContact CG2-CB 4.23Å; V464-W491 HydrophobicContact CG2-CE3 3.96Å; F487-W491 WeakPolarHBondContact O-CB 3.36Å; F487-W491 PolarHBondContact O-N 3.49Å; K488-W491 WeakPolarHBondContact O-CB 3.45Å; K488-W491 PolarHBondContact O-N 2.79Å; K488-W491 VanDerWaalsContact O-N 3.16Å; W491-K493 PolarHBondContact O-N 3.46Å; W491-Q494 PolarHBondContact O-N 3.31Å; W491-V495 HydrophobicContact CD2-CG2 4.16Å; W491-V495 HydrophobicContact CG-CG2 4.34Å; W491-V495 HydrophobicContact CZ2-CG2 4Å; W491-V495 WeakPolarHBondContact O-CG2 3.5Å; W491-V495 PolarHBondContact O-N 3.49Å |
| 492 | E | 94.7 | Very high | 93.1 | Very high | 56 Ų | 56 | 45.7 Ų | 45.7 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54.7 | -43.7 | -180 | -69 | 172.9 | 170 | 0 | 0 | 111.1 | K488 R496 | K488-E492 WeakPolarHBondContact CE-OE1 3.43Å; K488-E492 IonicContact NZ-OE1 3.71Å; K488-E492 PolarHBondContact NZ-OE1 3.04Å; K488-E492 IonicContact NZ-OE2 3.1Å; K488-E492 PolarHBondContact NZ-OE2 3.44Å; K488-E492 WeakPolarHBondContact O-CG 3.42Å; K488-E492 PolarHBondContact O-N 3.4Å; E492-R496 WeakPolarHBondContact O-CB 3.41Å; E492-R496 PolarHBondContact O-N 3.04Å; E492-R496 VanDerWaalsContact O-N 3.08Å |
| 493 | K | 93.9 | Very high | 93.2 | Very high | 154 Ų | 154 | 42 Ų | 42 | 67% | 0.67 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64.7 | -44.8 | 175.7 | -175.5 | 177.5 | -180 | 175.7 | 0 | 112.8 | E489 W491 R496 V497 | E489-K493 WeakPolarHBondContact O-CB 3.18Å; E489-K493 PolarHBondContact O-N 3.36Å; W491-K493 PolarHBondContact O-N 3.46Å; K493-R496 PolarHBondContact O-N 2.87Å; K493-V497 WeakPolarHBondContact O-CG2 3.41Å; K493-V497 PolarHBondContact O-N 2.92Å |
| 494 | Q | 94.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.6 | -38.4 | -177.2 | -170.4 | 66.3 | 49.1 | 0 | 0 | 111.9 | S453 Q456 L457 L460 Q490 W491 R496 V497 L498 | S453-Q494 PolarHBondContact OG-NE2 3.45Å; Q456-Q494 HydrophobicContact CB-CG 4.45Å; L457-Q494 HydrophobicContact CB-CG 4.15Å; L457-Q494 HydrophobicContact CD1-CB 3.99Å; L457-Q494 HydrophobicContact CD1-CG 3.79Å; L460-Q494 HydrophobicContact CD2-CB 3.9Å; L460-Q494 HydrophobicContact CD2-CG 4.35Å; Q490-Q494 WeakPolarHBondContact O-CB 3.33Å; Q490-Q494 PolarHBondContact O-N 3.45Å; W491-Q494 PolarHBondContact O-N 3.31Å; Q494-R496 VanDerWaalsContact C-N 3.33Å; Q494-V497 PolarHBondContact O-N 2.91Å; Q494-L498 PolarHBondContact O-N 2.93Å |
| 495 | V | 95.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 172.1 | 169.5 | 0 | 0 | 0 | 0 | 109.9 | T397 L430 L457 W491 V497 L498 T499 | T397-V495 HydrophobicContact CG2-CG1 3.95Å; L430-V495 HydrophobicContact CD1-CG1 4.5Å; L430-V495 HydrophobicContact CD1-CG2 4.33Å; L457-V495 HydrophobicContact CD1-CG2 3.73Å; L457-V495 HydrophobicContact CD2-CG2 4.31Å; W491-V495 HydrophobicContact CD2-CG2 4.16Å; W491-V495 HydrophobicContact CG-CG2 4.34Å; W491-V495 HydrophobicContact CZ2-CG2 4Å; W491-V495 WeakPolarHBondContact O-CG2 3.5Å; W491-V495 PolarHBondContact O-N 3.49Å; V495-V497 VanDerWaalsContact C-N 3.34Å; V495-V497 PolarHBondContact O-N 2.85Å; V495-L498 WeakPolarHBondContact O-CB 3.25Å; V495-L498 PolarHBondContact O-N 2.86Å; V495-T499 HydrophobicContact CG1-CG2 4.33Å; V495-T499 WeakPolarHBondContact O-CG2 3.39Å; V495-T499 PolarHBondContact O-N 3.39Å; V495-T499 PolarHBondContact O-OG1 3.44Å |
| 496 | R | 93.6 | Very high | 92.4 | Very high | 143 Ų | 143 | 44.8 Ų | 44.8 | 54% | 0.54 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 176.9 | -173.3 | 167.6 | -177.7 | 132.6 | -2.5 | 112.8 | E492 K493 Q494 L498 T499 D500 H554 | E492-R496 WeakPolarHBondContact O-CB 3.41Å; E492-R496 PolarHBondContact O-N 3.04Å; E492-R496 VanDerWaalsContact O-N 3.08Å; K493-R496 PolarHBondContact O-N 2.87Å; Q494-R496 VanDerWaalsContact C-N 3.33Å; R496-L498 VanDerWaalsContact C-N 3.29Å; R496-L498 PolarHBondContact O-N 2.81Å; R496-T499 WeakPolarHBondContact CA-OG1 3.23Å; R496-T499 PolarHBondContact O-N 3.04Å; R496-T499 PolarHBondContact O-OG1 3.11Å; R496-D500 WeakPolarHBondContact CG-OD2 3.47Å; R496-D500 IonicContact NE-OD2 3.12Å; R496-D500 WeakPolarHBondContact O-CB 3.31Å; R496-D500 PolarHBondContact O-N 2.91Å; R496-H554 PolarHBondContact NH2-CE1 2.86Å; R496-H554 PolarHBondContact NH2-ND1 2.83Å |
| 497 | V | 94.1 | Very high | 92 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 41% | 0.406 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61 | -38.2 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | K493 Q494 V495 A501 | K493-V497 WeakPolarHBondContact O-CG2 3.41Å; K493-V497 PolarHBondContact O-N 2.92Å; Q494-V497 PolarHBondContact O-N 2.91Å; V495-V497 VanDerWaalsContact C-N 3.34Å; V495-V497 PolarHBondContact O-N 2.85Å; V497-A501 VanDerWaalsContact O-CB 3.24Å; V497-A501 WeakPolarHBondContact O-CB 3.3Å; V497-A501 PolarHBondContact O-N 3.35Å; V497-A501 VanDerWaalsContact O-N 3.15Å |
| 498 | L | 95.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.8 | -46.6 | 175.7 | -179 | 62.7 | 0 | 0 | 0 | 111.9 | L430 A434 V450 S453 A454 L457 Q494 V495 R496 A501 V502 | L430-L498 HydrophobicContact CB-CD2 4.47Å; A434-L498 HydrophobicContact CB-CD1 3.81Å; A434-L498 HydrophobicContact CB-CD2 4.32Å; A434-L498 HydrophobicContact CB-CG 4.32Å; V450-L498 HydrophobicContact CG1-CD1 4.19Å; S453-L498 VanDerWaalsContact OG-CA 3.26Å; S453-L498 WeakPolarHBondContact OG-CA 3.41Å; S453-L498 WeakPolarHBondContact OG-CB 3.38Å; S453-L498 PolarHBondContact OG-N 3.44Å; A454-L498 HydrophobicContact CB-CD1 4.07Å; L457-L498 HydrophobicContact CD2-CD2 3.56Å; Q494-L498 PolarHBondContact O-N 2.93Å; V495-L498 WeakPolarHBondContact O-CB 3.25Å; V495-L498 PolarHBondContact O-N 2.86Å; R496-L498 VanDerWaalsContact C-N 3.29Å; R496-L498 PolarHBondContact O-N 2.81Å; L498-A501 PolarHBondContact O-N 3.27Å; L498-V502 HydrophobicContact CD1-CG2 4.35Å; L498-V502 WeakPolarHBondContact O-CG2 3.25Å; L498-V502 PolarHBondContact O-N 3.44Å |
| 499 | T | 94.4 | Very high | 90.5 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -44.5 | -178.3 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | F394 V495 R496 A501 V502 D503 | F394-T499 HydrophobicContact CB-CG2 4.22Å; F394-T499 HydrophobicContact CD1-CG2 4.07Å; F394-T499 HydrophobicContact CD2-CG2 3.66Å; F394-T499 HydrophobicContact CE1-CG2 4.32Å; F394-T499 HydrophobicContact CE2-CG2 3.94Å; F394-T499 HydrophobicContact CG-CG2 3.75Å; F394-T499 HydrophobicContact CZ-CG2 4.26Å; V495-T499 HydrophobicContact CG1-CG2 4.33Å; V495-T499 WeakPolarHBondContact O-CG2 3.39Å; V495-T499 PolarHBondContact O-N 3.39Å; V495-T499 PolarHBondContact O-OG1 3.44Å; R496-T499 WeakPolarHBondContact CA-OG1 3.23Å; R496-T499 PolarHBondContact O-N 3.04Å; R496-T499 PolarHBondContact O-OG1 3.11Å; T499-A501 VanDerWaalsContact C-N 3.34Å; T499-A501 PolarHBondContact O-N 3.24Å; T499-V502 PolarHBondContact O-N 3.32Å; T499-D503 VanDerWaalsContact O-CG 3.3Å; T499-D503 PolarHBondContact O-N 2.87Å |
| 500 | D | 92.2 | Very high | 89.8 | Confident | 42 Ų | 42 | 37 Ų | 37 | 23% | 0.225 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 178.2 | -63.3 | -13.2 | 0 | 0 | 0 | 110.6 | R496 V502 D503 D504 H554 | R496-D500 WeakPolarHBondContact CG-OD2 3.47Å; R496-D500 IonicContact NE-OD2 3.12Å; R496-D500 WeakPolarHBondContact O-CB 3.31Å; R496-D500 PolarHBondContact O-N 2.91Å; D500-V502 VanDerWaalsContact C-N 3.34Å; D500-V502 PolarHBondContact O-N 3.18Å; D500-D503 WeakPolarHBondContact O-CB 3.27Å; D500-D503 PolarHBondContact O-N 3.18Å; D500-D504 PolarHBondContact O-N 3.03Å; D500-D504 VanDerWaalsContact O-N 3.1Å; D500-H554 IonicContact OD1-CD2 2.85Å; D500-H554 IonicContact OD1-CE1 2.86Å; D500-H554 IonicContact OD1-NE2 3.75Å; D500-H554 PolarHBondContact OD1-NE2 3.08Å |
| 501 | A | 92.6 | Very high | 89.5 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 8% | 0.083 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.8 | -33.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V450 V497 L498 T499 | V450-A501 HydrophobicContact CG2-CB 3.8Å; V450-A501 WeakPolarHBondContact CG2-O 3.39Å; V497-A501 VanDerWaalsContact O-CB 3.24Å; V497-A501 WeakPolarHBondContact O-CB 3.3Å; V497-A501 PolarHBondContact O-N 3.35Å; V497-A501 VanDerWaalsContact O-N 3.15Å; L498-A501 PolarHBondContact O-N 3.27Å; T499-A501 VanDerWaalsContact C-N 3.34Å; T499-A501 PolarHBondContact O-N 3.24Å |
| 502 | V | 95.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.8 | -39.6 | 173.8 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | V390 F394 A434 A437 V450 L498 T499 D500 D504 I505 T506 | V390-V502 HydrophobicContact CG2-CG1 3.84Å; F394-V502 HydrophobicContact CE2-CB 3.92Å; F394-V502 HydrophobicContact CE2-CG1 3.82Å; F394-V502 HydrophobicContact CE2-CG2 4.25Å; F394-V502 HydrophobicContact CZ-CB 4.39Å; F394-V502 HydrophobicContact CZ-CG1 4.36Å; F394-V502 HydrophobicContact CZ-CG2 4.21Å; A434-V502 HydrophobicContact CB-CG2 3.78Å; A437-V502 HydrophobicContact CB-CG1 4.05Å; V450-V502 HydrophobicContact CG1-CG2 3.71Å; V450-V502 HydrophobicContact CG2-CG2 4.05Å; L498-V502 HydrophobicContact CD1-CG2 4.35Å; L498-V502 WeakPolarHBondContact O-CG2 3.25Å; L498-V502 PolarHBondContact O-N 3.44Å; T499-V502 PolarHBondContact O-N 3.32Å; D500-V502 VanDerWaalsContact C-N 3.34Å; D500-V502 PolarHBondContact O-N 3.18Å; V502-D504 VanDerWaalsContact C-N 3.31Å; V502-D504 PolarHBondContact O-N 2.87Å; V502-I505 WeakPolarHBondContact O-CG1 3.44Å; V502-I505 PolarHBondContact O-N 3.39Å; V502-I505 VanDerWaalsContact O-N 3.15Å; V502-T506 HydrophobicContact CG1-CG2 4.23Å; V502-T506 VanDerWaalsContact O-CG2 3.3Å; V502-T506 WeakPolarHBondContact O-CG2 3.3Å; V502-T506 PolarHBondContact O-N 3.48Å; V502-T506 PolarHBondContact O-OG1 2.86Å |
| 503 | D | 90.9 | Very high | 88.1 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 12% | 0.123 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.9 | -44.8 | 175.2 | -68.9 | -29 | 0 | 0 | 0 | 111.6 | T499 D500 I505 T506 R551 | T499-D503 VanDerWaalsContact O-CG 3.3Å; T499-D503 PolarHBondContact O-N 2.87Å; D500-D503 WeakPolarHBondContact O-CB 3.27Å; D500-D503 PolarHBondContact O-N 3.18Å; D503-I505 PolarHBondContact O-N 3.13Å; D503-I505 VanDerWaalsContact O-N 3.09Å; D503-T506 WeakPolarHBondContact CA-OG1 3.41Å; D503-T506 PolarHBondContact O-N 3.46Å; D503-T506 PolarHBondContact O-OG1 3.33Å; D503-R551 IonicContact OD1-CZ 2.74Å; D503-R551 IonicContact OD1-NH1 2.82Å; D503-R551 IonicContact OD1-NH2 3.97Å; D503-R551 PolarHBondContact OD1-NH2 3.24Å; D503-R551 IonicContact OD2-CZ 3.96Å; D503-R551 VanDerWaalsContact OD2-CZ 3.25Å; D503-R551 IonicContact OD2-NH1 3.92Å; D503-R551 PolarHBondContact OD2-NH1 3.15Å; D503-R551 IonicContact OD2-NH2 3.77Å; D503-R551 PolarHBondContact OD2-NH2 3.42Å |
| 504 | D | 86.9 | Confident | 87.6 | Confident | 101 Ų | 101 | 27.2 Ų | 27.2 | 54% | 0.54 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.6 | 178.8 | -69.4 | -23.6 | 0 | 0 | 0 | 114.8 | D500 V502 | D500-D504 PolarHBondContact O-N 3.03Å; D500-D504 VanDerWaalsContact O-N 3.1Å; V502-D504 VanDerWaalsContact C-N 3.31Å; V502-D504 PolarHBondContact O-N 2.87Å |
| 505 | I | 84.7 | Confident | 87.3 | Confident | 19 Ų | 19 | 26.6 Ų | 26.6 | 10% | 0.097 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -0.6 | 178.3 | 64.4 | 162.9 | 0 | 0 | 0 | 113.7 | A437 S441 N443 G446 V450 V502 D503 | A437-I505 HydrophobicContact CB-CD1 3.94Å; S441-I505 PolarHBondContact OG-O 3.41Å; N443-I505 HydrophobicContact CB-CG2 4.29Å; G446-I505 VanDerWaalsContact CA-CG2 3.41Å; V450-I505 HydrophobicContact CB-CD1 4.42Å; V450-I505 HydrophobicContact CG2-CD1 3.81Å; V450-I505 HydrophobicContact CG2-CG1 4.1Å; V450-I505 HydrophobicContact CG2-CG2 4.42Å; V502-I505 WeakPolarHBondContact O-CG1 3.44Å; V502-I505 PolarHBondContact O-N 3.39Å; V502-I505 VanDerWaalsContact O-N 3.15Å; D503-I505 PolarHBondContact O-N 3.13Å; D503-I505 VanDerWaalsContact O-N 3.09Å |
| 506 | T | 84.3 | Confident | 86.9 | Confident | 25 Ų | 25 | 27.1 Ų | 27.1 | 15% | 0.153 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -114.7 | 155.8 | -179.5 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | V386 M387 A437 V502 D503 | V386-T506 HydrophobicContact CG1-CG2 4.41Å; M387-T506 VanDerWaalsContact CE-CB 3.49Å; M387-T506 HydrophobicContact CE-CG2 3.48Å; M387-T506 VanDerWaalsContact CE-CG2 3.48Å; M387-T506 HydrophobicContact SD-CG2 4.43Å; A437-T506 HydrophobicContact CB-CG2 4.42Å; V502-T506 HydrophobicContact CG1-CG2 4.23Å; V502-T506 VanDerWaalsContact O-CG2 3.3Å; V502-T506 WeakPolarHBondContact O-CG2 3.3Å; V502-T506 PolarHBondContact O-N 3.48Å; V502-T506 PolarHBondContact O-OG1 2.86Å; D503-T506 WeakPolarHBondContact CA-OG1 3.41Å; D503-T506 PolarHBondContact O-N 3.46Å; D503-T506 PolarHBondContact O-OG1 3.33Å |
| 507 | S | 80.8 | Confident | 86.4 | Confident | 43 Ų | 43 | 23.7 Ų | 23.7 | 30% | 0.301 | 14% | 0.137 | S | C | . | . | trans | -82.3 | 127.4 | 178.7 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | D509 D510 F511 | S507-D509 PolarHBondContact O-N 2.89Å; S507-D509 PolarHBondContact OG-N 2.93Å; S507-D510 PolarHBondContact O-N 3.36Å; S507-F511 PolarHBondContact O-N 2.71Å | ||
| 508 | I | 80.9 | Confident | 86.2 | Confident | 14 Ų | 14 | 20.8 Ų | 20.8 | 7% | 0.072 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.9 | -32.7 | 170.6 | -173.2 | 166.9 | 0 | 0 | 0 | 111.8 | F511 L512 V555 V556 E559 V629 | I508-F511 PolarHBondContact O-N 2.87Å; I508-L512 HydrophobicContact CD1-CD1 4.3Å; I508-L512 HydrophobicContact CG1-CD1 3.82Å; I508-L512 HydrophobicContact CG1-CG 4.07Å; I508-L512 WeakPolarHBondContact O-CB 3.48Å; I508-L512 VanDerWaalsContact O-CG 3.27Å; I508-L512 WeakPolarHBondContact O-CG 3.38Å; I508-L512 PolarHBondContact O-N 3.38Å; I508-V555 HydrophobicContact CD1-CG1 4.19Å; I508-V555 HydrophobicContact CG1-CG1 4.2Å; I508-V556 HydrophobicContact CD1-CG2 4.18Å; I508-E559 HydrophobicContact CD1-CB 3.71Å; I508-E559 HydrophobicContact CD1-CG 3.58Å; I508-V629 HydrophobicContact CD1-CG1 4.28Å |
| 509 | D | 75.4 | Confident | 86.1 | Confident | 12 Ų | 12 | 20.8 Ų | 20.8 | 6% | 0.064 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.3 | -44.4 | -178.8 | -55.7 | -30.4 | 0 | 0 | 0 | 110.9 | S507 A513 L630 R633 | S507-D509 PolarHBondContact O-N 2.89Å; S507-D509 PolarHBondContact OG-N 2.93Å; D509-A513 WeakPolarHBondContact O-CB 3.5Å; D509-A513 PolarHBondContact O-N 3.44Å; D509-L630 HydrophobicContact CB-CD2 4.4Å; D509-R633 IonicContact OD1-CZ 2.73Å; D509-R633 IonicContact OD1-NE 2.98Å; D509-R633 PolarHBondContact OD1-NE 2.85Å; D509-R633 VanDerWaalsContact OD1-NE 3.13Å; D509-R633 IonicContact OD1-NH2 3.31Å; D509-R633 WeakPolarHBondContact OD2-CD 3.41Å; D509-R633 IonicContact OD2-CZ 3.48Å; D509-R633 IonicContact OD2-NE 3.58Å; D509-R633 PolarHBondContact OD2-NE 3Å; D509-R633 VanDerWaalsContact OD2-NE 3.12Å; D509-R633 IonicContact OD2-NH1 3.12Å; D509-R633 PolarHBondContact OD2-NH1 2.97Å; D509-R633 IonicContact OD2-NH2 3.73Å |
| 510 | D | 77.6 | Confident | 85.9 | Confident | 17 Ų | 17 | 24 Ų | 24 | 9% | 0.091 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 176.3 | -69.9 | -31.9 | 0 | 0 | 0 | 110.3 | R383 M387 S507 A513 V514 | R383-D510 IonicContact NE-OD2 2.98Å; M387-D510 HydrophobicContact CG-CB 3.51Å; M387-D510 HydrophobicContact SD-CB 4.11Å; S507-D510 PolarHBondContact O-N 3.36Å; D510-A513 PolarHBondContact O-N 3.33Å; D510-V514 WeakPolarHBondContact O-CG2 3.34Å; D510-V514 PolarHBondContact O-N 2.84Å |
| 511 | F | 84.8 | Confident | 85.9 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.6 | 169.4 | -98.5 | 0 | 0 | 0 | 112.3 | M387 V390 S507 I508 S515 R551 V552 V555 | M387-F511 HydrophobicContact SD-CB 4.14Å; V390-F511 HydrophobicContact CG1-CD2 4.23Å; V390-F511 HydrophobicContact CG1-CE2 4.44Å; S507-F511 PolarHBondContact O-N 2.71Å; I508-F511 PolarHBondContact O-N 2.87Å; F511-S515 WeakPolarHBondContact CE2-OG 3.39Å; F511-S515 WeakPolarHBondContact CZ-OG 3.27Å; F511-S515 VanDerWaalsContact O-CB 3.22Å; F511-S515 WeakPolarHBondContact O-CB 3.35Å; F511-S515 PolarHBondContact O-N 3.42Å; F511-S515 PolarHBondContact O-OG 3.18Å; F511-R551 HydrophobicContact CE2-CG 4.31Å; F511-R551 HydrophobicContact CZ-CG 3.95Å; F511-V552 HydrophobicContact CE1-CG2 4Å; F511-V552 HydrophobicContact CZ-CG2 4.08Å; F511-V555 HydrophobicContact CD1-CB 4.15Å; F511-V555 HydrophobicContact CD1-CG1 3.87Å; F511-V555 HydrophobicContact CD1-CG2 4.1Å; F511-V555 HydrophobicContact CE1-CB 3.73Å; F511-V555 HydrophobicContact CE1-CG1 3.99Å; F511-V555 HydrophobicContact CE1-CG2 3.54Å; F511-V555 HydrophobicContact CE2-CG2 4.33Å; F511-V555 HydrophobicContact CZ-CB 4.36Å; F511-V555 HydrophobicContact CZ-CG2 3.7Å |
| 512 | L | 83.2 | Confident | 86 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 179 | -72.1 | 173.6 | 0 | 0 | 0 | 111.9 | I508 S515 E516 V552 V556 R626 V629 | I508-L512 HydrophobicContact CD1-CD1 4.3Å; I508-L512 HydrophobicContact CG1-CD1 3.82Å; I508-L512 HydrophobicContact CG1-CG 4.07Å; I508-L512 WeakPolarHBondContact O-CB 3.48Å; I508-L512 VanDerWaalsContact O-CG 3.27Å; I508-L512 WeakPolarHBondContact O-CG 3.38Å; I508-L512 PolarHBondContact O-N 3.38Å; L512-S515 PolarHBondContact O-N 2.77Å; L512-E516 WeakPolarHBondContact O-CB 3.41Å; L512-E516 PolarHBondContact O-N 3.25Å; L512-V552 HydrophobicContact CD2-CG1 3.8Å; L512-V556 HydrophobicContact CD1-CG2 4.29Å; L512-V556 HydrophobicContact CD2-CG2 3.74Å; L512-V556 HydrophobicContact CG-CG2 4.49Å; L512-R626 HydrophobicContact CB-CB 4.29Å; L512-R626 HydrophobicContact CB-CG 3.97Å; L512-V629 HydrophobicContact CD1-CB 3.85Å; L512-V629 HydrophobicContact CD1-CG1 3.8Å; L512-V629 HydrophobicContact CD1-CG2 3.94Å |
| 513 | A | 78.3 | Confident | 86 | Confident | 15 Ų | 15 | 25.6 Ų | 25.6 | 12% | 0.124 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -46.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D509 D510 N517 | D509-A513 WeakPolarHBondContact O-CB 3.5Å; D509-A513 PolarHBondContact O-N 3.44Å; D510-A513 PolarHBondContact O-N 3.33Å; A513-N517 PolarHBondContact O-N 3.32Å; A513-N517 PolarHBondContact O-ND2 3.06Å |
| 514 | V | 83 | Confident | 86.1 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 111 | M387 D388 D510 E516 N517 H518 | M387-V514 HydrophobicContact CB-CB 4.02Å; M387-V514 HydrophobicContact CB-CG1 4.32Å; M387-V514 HydrophobicContact CB-CG2 3.63Å; M387-V514 HydrophobicContact CG-CG2 4.42Å; D388-V514 WeakPolarHBondContact OD1-CG1 3.34Å; D510-V514 WeakPolarHBondContact O-CG2 3.34Å; D510-V514 PolarHBondContact O-N 2.84Å; V514-E516 PolarHBondContact O-N 3.25Å; V514-N517 PolarHBondContact O-N 2.71Å; V514-H518 PolarHBondContact O-N 3.39Å |
| 515 | S | 89.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 178.2 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | F511 L512 H518 I519 | F511-S515 WeakPolarHBondContact CE2-OG 3.39Å; F511-S515 WeakPolarHBondContact CZ-OG 3.27Å; F511-S515 VanDerWaalsContact O-CB 3.22Å; F511-S515 WeakPolarHBondContact O-CB 3.35Å; F511-S515 PolarHBondContact O-N 3.42Å; F511-S515 PolarHBondContact O-OG 3.18Å; L512-S515 PolarHBondContact O-N 2.77Å; S515-H518 PolarHBondContact O-N 3.41Å; S515-I519 WeakPolarHBondContact O-CB 2.95Å; S515-I519 WeakPolarHBondContact O-CG1 3.49Å; S515-I519 PolarHBondContact O-N 2.8Å |
| 516 | E | 86.3 | Confident | 87.1 | Confident | 13 Ų | 13 | 27.6 Ų | 27.6 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 173.3 | 179.3 | -179.7 | 168.1 | 0 | 0 | 111.7 | L512 V514 I519 L520 Y619 I622 R623 R626 | L512-E516 WeakPolarHBondContact O-CB 3.41Å; L512-E516 PolarHBondContact O-N 3.25Å; V514-E516 PolarHBondContact O-N 3.25Å; E516-I519 PolarHBondContact O-N 3.33Å; E516-L520 PolarHBondContact O-N 2.84Å; E516-Y619 HydrophobicContact CG-CD2 4.27Å; E516-Y619 HydrophobicContact CG-CE2 3.61Å; E516-Y619 PolarHBondContact OE1-OH 3.48Å; E516-I622 HydrophobicContact CB-CG2 4.44Å; E516-R623 WeakPolarHBondContact OE1-CG 3.46Å; E516-R623 IonicContact OE1-NE 3.49Å; E516-R626 WeakPolarHBondContact OE2-CD 3.42Å; E516-R626 IonicContact OE2-CZ 3.81Å; E516-R626 IonicContact OE2-NE 2.85Å; E516-R626 IonicContact OE2-NH1 3.91Å; E516-R626 PolarHBondContact OE2-NH1 3.13Å |
| 517 | N | 83.1 | Confident | 87.6 | Confident | 71 Ų | 71 | 27.4 Ų | 27.4 | 38% | 0.38 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64 | -43.9 | 178.8 | -70.7 | -30.5 | 0 | 0 | 0 | 112.1 | A513 V514 L520 E521 | A513-N517 PolarHBondContact O-N 3.32Å; A513-N517 PolarHBondContact O-ND2 3.06Å; V514-N517 PolarHBondContact O-N 2.71Å; N517-L520 PolarHBondContact O-N 2.97Å; N517-E521 PolarHBondContact O-N 3.5Å |
| 518 | H | 89.6 | Confident | 88.3 | Confident | 7 Ų | 7 | 28.2 Ų | 28.2 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67 | -37.7 | 178.5 | -70.8 | -173.5 | 0 | 0 | 0 | 111.9 | R326 D388 S391 D392 V514 S515 L520 E521 D522 R548 | R326-H518 PolarHBondContact NH1-CD2 2.95Å; R326-H518 PolarHBondContact NH1-NE2 2.91Å; D388-H518 IonicContact OD1-NE2 3.8Å; S391-H518 PolarHBondContact OG-ND1 2.59Å; D392-H518 IonicContact OD1-CE1 3.16Å; D392-H518 PolarHBondContact OD1-CE1 3.07Å; D392-H518 IonicContact OD1-ND1 2.78Å; D392-H518 PolarHBondContact OD1-ND1 3.04Å; D392-H518 IonicContact OD2-CE1 3.36Å; V514-H518 PolarHBondContact O-N 3.39Å; S515-H518 PolarHBondContact O-N 3.41Å; H518-L520 VanDerWaalsContact C-N 3.34Å; H518-L520 PolarHBondContact O-N 2.93Å; H518-E521 PolarHBondContact O-N 3.4Å; H518-D522 VanDerWaalsContact O-CB 3.31Å; H518-D522 WeakPolarHBondContact O-CB 3.44Å; H518-D522 PolarHBondContact O-N 3.44Å; H518-R548 VanDerWaalsContact CB-CZ 3.41Å; H518-R548 PolarHBondContact ND1-NH1 3.3Å |
| 519 | I | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 173.4 | -71.1 | -76.5 | 0 | 0 | 0 | 111 | S515 E516 E521 D522 V523 I545 R548 V618 Y619 I622 | S515-I519 WeakPolarHBondContact O-CB 2.95Å; S515-I519 WeakPolarHBondContact O-CG1 3.49Å; S515-I519 PolarHBondContact O-N 2.8Å; E516-I519 PolarHBondContact O-N 3.33Å; I519-E521 VanDerWaalsContact C-N 3.31Å; I519-E521 PolarHBondContact O-N 3.29Å; I519-D522 PolarHBondContact O-N 3.49Å; I519-V523 HydrophobicContact CG2-CG2 4.09Å; I519-V523 VanDerWaalsContact O-CB 3.24Å; I519-V523 WeakPolarHBondContact O-CB 3.37Å; I519-V523 VanDerWaalsContact O-CG2 3.23Å; I519-V523 WeakPolarHBondContact O-CG2 3.37Å; I519-V523 PolarHBondContact O-N 2.9Å; I519-I545 HydrophobicContact CD1-CG2 4.31Å; I519-R548 HydrophobicContact CD1-CB 3.87Å; I519-R548 HydrophobicContact CD1-CG 4.22Å; I519-R548 HydrophobicContact CG1-CG 4.39Å; I519-V618 HydrophobicContact CD1-CG1 4.46Å; I519-V618 HydrophobicContact CG2-CG1 4.19Å; I519-Y619 HydrophobicContact CG2-CD2 4.48Å; I519-I622 HydrophobicContact CB-CD1 4.29Å; I519-I622 HydrophobicContact CD1-CD1 3.49Å; I519-I622 VanDerWaalsContact CD1-CD1 3.49Å; I519-I622 HydrophobicContact CG1-CD1 3.41Å; I519-I622 VanDerWaalsContact CG1-CD1 3.41Å; I519-I622 HydrophobicContact CG2-CD1 4.18Å |
| 520 | L | 90.8 | Very high | 89.8 | Confident | 82 Ų | 82 | 27.3 Ų | 27.3 | 43% | 0.429 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 177.5 | -177.9 | 60.4 | 0 | 0 | 0 | 111.4 | E516 N517 H518 N524 Y619 | E516-L520 PolarHBondContact O-N 2.84Å; N517-L520 PolarHBondContact O-N 2.97Å; H518-L520 VanDerWaalsContact C-N 3.34Å; H518-L520 PolarHBondContact O-N 2.93Å; L520-N524 WeakPolarHBondContact O-CB 3.49Å; L520-N524 PolarHBondContact O-N 3.26Å; L520-Y619 HydrophobicContact CB-CD2 3.77Å; L520-Y619 HydrophobicContact CB-CE2 3.78Å; L520-Y619 HydrophobicContact CD1-CD2 4.03Å; L520-Y619 HydrophobicContact CD1-CE2 4.07Å; L520-Y619 HydrophobicContact CD1-CG 4.34Å; L520-Y619 HydrophobicContact CD2-CE2 4.16Å; L520-Y619 HydrophobicContact CG-CD2 4.4Å; L520-Y619 HydrophobicContact CG-CE2 4.22Å |
| 521 | E | 91.6 | Very high | 90.5 | Very high | 57 Ų | 57 | 31.9 Ų | 31.9 | 27% | 0.266 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.7 | -48.4 | 176 | -176.2 | -172.8 | 171.9 | 0 | 0 | 112.1 | R326 N517 H518 I519 N524 K525 | R326-E521 IonicContact CZ-OE1 3.23Å; R326-E521 IonicContact CZ-OE2 3.56Å; R326-E521 VanDerWaalsContact CZ-OE2 3.25Å; R326-E521 IonicContact NH1-OE2 3.52Å; R326-E521 PolarHBondContact NH1-OE2 3.01Å; R326-E521 IonicContact NH2-OE1 3.51Å; R326-E521 PolarHBondContact NH2-OE1 3.11Å; R326-E521 IonicContact NH2-OE2 3Å; R326-E521 PolarHBondContact NH2-OE2 3.2Å; N517-E521 PolarHBondContact O-N 3.5Å; H518-E521 PolarHBondContact O-N 3.4Å; I519-E521 VanDerWaalsContact C-N 3.31Å; I519-E521 PolarHBondContact O-N 3.29Å; E521-N524 PolarHBondContact O-N 3.18Å; E521-K525 HydrophobicContact CG-CD 4.42Å; E521-K525 WeakPolarHBondContact O-CG 3.19Å; E521-K525 PolarHBondContact O-N 3.4Å; E521-K525 VanDerWaalsContact OE1-CE 3.27Å; E521-K525 WeakPolarHBondContact OE1-CE 3.42Å; E521-K525 IonicContact OE1-NZ 3.26Å; E521-K525 PolarHBondContact OE1-NZ 2.88Å |
| 522 | D | 94.8 | Very high | 90.9 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.9 | -40.3 | -177.4 | -69.1 | -26.2 | 0 | 0 | 0 | 110.9 | H518 I519 K525 C526 I545 R548 | H518-D522 VanDerWaalsContact O-CB 3.31Å; H518-D522 WeakPolarHBondContact O-CB 3.44Å; H518-D522 PolarHBondContact O-N 3.44Å; I519-D522 PolarHBondContact O-N 3.49Å; D522-K525 PolarHBondContact O-N 3.41Å; D522-C526 VanDerWaalsContact O-CB 3.25Å; D522-C526 WeakPolarHBondContact O-CB 3.47Å; D522-C526 PolarHBondContact O-N 3.22Å; D522-I545 HydrophobicContact CB-CD1 4.27Å; D522-I545 HydrophobicContact CB-CG1 3.65Å; D522-R548 IonicContact OD2-CZ 3.05Å; D522-R548 IonicContact OD2-NE 3.63Å; D522-R548 PolarHBondContact OD2-NE 2.66Å; D522-R548 IonicContact OD2-NH2 2.65Å; D522-R548 PolarHBondContact OD2-NH2 2.78Å |
| 523 | V | 95 | Very high | 91.4 | Very high | 14 Ų | 14 | 45 Ų | 45 | 9% | 0.085 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 173 | 163.3 | 0 | 0 | 0 | 0 | 111 | I519 K525 C526 V527 I545 | I519-V523 HydrophobicContact CG2-CG2 4.09Å; I519-V523 VanDerWaalsContact O-CB 3.24Å; I519-V523 WeakPolarHBondContact O-CB 3.37Å; I519-V523 VanDerWaalsContact O-CG2 3.23Å; I519-V523 WeakPolarHBondContact O-CG2 3.37Å; I519-V523 PolarHBondContact O-N 2.9Å; V523-K525 PolarHBondContact O-N 2.86Å; V523-C526 WeakPolarHBondContact O-CB 3.42Å; V523-C526 PolarHBondContact O-N 3.43Å; V523-V527 WeakPolarHBondContact O-CG2 3.37Å; V523-V527 PolarHBondContact O-N 3.26Å; V523-I545 HydrophobicContact CG2-CD1 3.89Å; V523-I545 HydrophobicContact CG2-CG1 4.41Å |
| 524 | N | 93.8 | Very high | 92.1 | Very high | 97 Ų | 97 | 47.2 Ų | 47.2 | 52% | 0.519 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 177.4 | -173.4 | 63.4 | 0 | 0 | 0 | 111.6 | L520 E521 C526 V527 I528 | L520-N524 WeakPolarHBondContact O-CB 3.49Å; L520-N524 PolarHBondContact O-N 3.26Å; E521-N524 PolarHBondContact O-N 3.18Å; N524-C526 VanDerWaalsContact C-N 3.33Å; N524-C526 PolarHBondContact O-N 2.91Å; N524-V527 PolarHBondContact O-N 3.41Å; N524-I528 VanDerWaalsContact O-CG1 3.27Å; N524-I528 WeakPolarHBondContact O-CG1 3.3Å; N524-I528 PolarHBondContact O-N 2.92Å |
| 525 | K | 95.7 | Very high | 92.6 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 39% | 0.387 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.7 | -37.7 | 174.1 | -70.3 | 174.1 | -175.4 | 164.5 | 0 | 112.4 | E521 D522 V523 I528 A529 T541 | E521-K525 HydrophobicContact CG-CD 4.42Å; E521-K525 WeakPolarHBondContact O-CG 3.19Å; E521-K525 PolarHBondContact O-N 3.4Å; E521-K525 VanDerWaalsContact OE1-CE 3.27Å; E521-K525 WeakPolarHBondContact OE1-CE 3.42Å; E521-K525 IonicContact OE1-NZ 3.26Å; E521-K525 PolarHBondContact OE1-NZ 2.88Å; D522-K525 PolarHBondContact O-N 3.41Å; V523-K525 PolarHBondContact O-N 2.86Å; K525-I528 PolarHBondContact O-N 3.38Å; K525-A529 WeakPolarHBondContact O-CB 3.16Å; K525-A529 PolarHBondContact O-N 2.84Å; K525-T541 HydrophobicContact CB-CG2 3.87Å |
| 526 | C | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.9 | -165.8 | 0 | 0 | 0 | 0 | 111.3 | D522 V523 N524 A529 L530 L538 T541 I545 | D522-C526 VanDerWaalsContact O-CB 3.25Å; D522-C526 WeakPolarHBondContact O-CB 3.47Å; D522-C526 PolarHBondContact O-N 3.22Å; V523-C526 WeakPolarHBondContact O-CB 3.42Å; V523-C526 PolarHBondContact O-N 3.43Å; N524-C526 VanDerWaalsContact C-N 3.33Å; N524-C526 PolarHBondContact O-N 2.91Å; C526-A529 PolarHBondContact O-N 3.25Å; C526-L530 PolarHBondContact O-N 2.91Å; C526-L538 WeakPolarHBondContact O-CD1 3.21Å; C526-T541 WeakPolarHBondContact CA-OG1 3.33Å; C526-T541 WeakPolarHBondContact CB-OG1 3.45Å; C526-I545 HydrophobicContact CB-CD1 3.87Å |
| 527 | V | 94.4 | Very high | 93 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 13% | 0.127 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | V523 N524 L530 Q531 F611 I612 | V523-V527 WeakPolarHBondContact O-CG2 3.37Å; V523-V527 PolarHBondContact O-N 3.26Å; N524-V527 PolarHBondContact O-N 3.41Å; V527-L530 WeakPolarHBondContact O-CB 3.41Å; V527-L530 PolarHBondContact O-N 2.99Å; V527-Q531 WeakPolarHBondContact O-CG 3.45Å; V527-Q531 PolarHBondContact O-N 3.04Å; V527-Q531 VanDerWaalsContact O-N 3.08Å; V527-F611 HydrophobicContact CG2-CD1 4.48Å; V527-F611 HydrophobicContact CG2-CE1 4.26Å; V527-I612 HydrophobicContact CG1-CD1 4.32Å; V527-I612 HydrophobicContact CG1-CG1 3.97Å; V527-I612 HydrophobicContact CG2-CG1 4.21Å |
| 528 | I | 95.3 | Very high | 93.5 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 30% | 0.303 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 174.7 | -69.4 | 164.8 | 0 | 0 | 0 | 110.6 | N524 K525 L530 Q531 E532 | N524-I528 VanDerWaalsContact O-CG1 3.27Å; N524-I528 WeakPolarHBondContact O-CG1 3.3Å; N524-I528 PolarHBondContact O-N 2.92Å; K525-I528 PolarHBondContact O-N 3.38Å; I528-L530 PolarHBondContact O-N 2.89Å; I528-Q531 PolarHBondContact O-N 3.28Å; I528-Q531 VanDerWaalsContact O-N 3.08Å; I528-E532 HydrophobicContact CG2-CG 4.16Å; I528-E532 WeakPolarHBondContact O-CB 3.32Å; I528-E532 WeakPolarHBondContact O-CG 3.36Å; I528-E532 PolarHBondContact O-N 3.46Å |
| 529 | A | 95.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 5% | 0.05 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -38.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K525 C526 E532 K533 D534 L538 | K525-A529 WeakPolarHBondContact O-CB 3.16Å; K525-A529 PolarHBondContact O-N 2.84Å; C526-A529 PolarHBondContact O-N 3.25Å; A529-E532 PolarHBondContact O-N 3.35Å; A529-K533 PolarHBondContact O-N 3.49Å; A529-D534 HydrophobicContact CB-CB 4.37Å; A529-D534 PolarHBondContact O-N 3.25Å; A529-L538 HydrophobicContact CB-CB 4.29Å |
| 530 | L | 93 | Very high | 93.4 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 172.8 | -172.6 | 74.5 | 0 | 0 | 0 | 112.1 | C526 V527 I528 E532 K533 L538 A594 L598 M606 E608 F611 | C526-L530 PolarHBondContact O-N 2.91Å; V527-L530 WeakPolarHBondContact O-CB 3.41Å; V527-L530 PolarHBondContact O-N 2.99Å; I528-L530 PolarHBondContact O-N 2.89Å; L530-E532 VanDerWaalsContact C-N 3.32Å; L530-E532 PolarHBondContact O-N 2.94Å; L530-K533 PolarHBondContact O-N 3.19Å; L530-K533 VanDerWaalsContact O-N 3.11Å; L530-L538 HydrophobicContact CB-CD1 4.17Å; L530-L538 HydrophobicContact CD1-CD1 4.36Å; L530-L538 HydrophobicContact CD1-CD2 3.97Å; L530-A594 HydrophobicContact CD1-CB 3.61Å; L530-L598 HydrophobicContact CD1-CD1 4.21Å; L530-M606 HydrophobicContact CD1-CE 3.24Å; L530-M606 HydrophobicContact CD1-SD 3.96Å; L530-M606 HydrophobicContact CD2-CE 3.82Å; L530-M606 HydrophobicContact CG-CE 3.32Å; L530-E608 HydrophobicContact CD2-CG 4.24Å; L530-F611 HydrophobicContact CD2-CB 4.02Å; L530-F611 HydrophobicContact CD2-CD1 3.48Å; L530-F611 VanDerWaalsContact CD2-CD1 3.48Å; L530-F611 HydrophobicContact CD2-CD2 4.27Å; L530-F611 HydrophobicContact CD2-CE1 3.99Å; L530-F611 HydrophobicContact CD2-CG 3.65Å |
| 531 | Q | 92.1 | Very high | 93.6 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 179.9 | -70.3 | 174.6 | -8.1 | 0 | 0 | 112.4 | V527 I528 K533 | V527-Q531 WeakPolarHBondContact O-CG 3.45Å; V527-Q531 PolarHBondContact O-N 3.04Å; V527-Q531 VanDerWaalsContact O-N 3.08Å; I528-Q531 PolarHBondContact O-N 3.28Å; I528-Q531 VanDerWaalsContact O-N 3.08Å; Q531-K533 PolarHBondContact O-N 3.04Å |
| 532 | E | 93.9 | Very high | 93.7 | Very high | 141 Ų | 141 | 56.9 Ų | 56.9 | 66% | 0.659 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -79.3 | -7.3 | 176.5 | -68.1 | -178 | 170.1 | 0 | 0 | 112.9 | I528 A529 L530 D534 | I528-E532 HydrophobicContact CG2-CG 4.16Å; I528-E532 WeakPolarHBondContact O-CB 3.32Å; I528-E532 WeakPolarHBondContact O-CG 3.36Å; I528-E532 PolarHBondContact O-N 3.46Å; A529-E532 PolarHBondContact O-N 3.35Å; L530-E532 VanDerWaalsContact C-N 3.32Å; L530-E532 PolarHBondContact O-N 2.94Å; E532-D534 PolarHBondContact O-N 2.95Å |
| 533 | K | 91.8 | Very high | 93.6 | Very high | 137 Ų | 137 | 56.6 Ų | 56.6 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 30.6 | -174.4 | -52.7 | -171.6 | 177.2 | -169.5 | 0 | 113.2 | A529 L530 Q531 V535 L598 | A529-K533 PolarHBondContact O-N 3.49Å; L530-K533 PolarHBondContact O-N 3.19Å; L530-K533 VanDerWaalsContact O-N 3.11Å; Q531-K533 PolarHBondContact O-N 3.04Å; K533-V535 PolarHBondContact O-N 2.99Å; K533-L598 HydrophobicContact CB-CD2 3.93Å; K533-L598 HydrophobicContact CD-CD2 4.06Å; K533-L598 HydrophobicContact CG-CD2 3.8Å |
| 534 | D | 93.6 | Very high | 93.5 | Very high | 61 Ų | 61 | 57 Ų | 57 | 33% | 0.326 | 28% | 0.282 | S | S | . | . | trans | -84.8 | 92.9 | 175.6 | 179.6 | 11.5 | 0 | 0 | 0 | 110 | A529 E532 D536 G537 L538 | A529-D534 HydrophobicContact CB-CB 4.37Å; A529-D534 PolarHBondContact O-N 3.25Å; E532-D534 PolarHBondContact O-N 2.95Å; D534-D536 VanDerWaalsContact C-N 3.32Å; D534-D536 PolarHBondContact O-N 3Å; D534-D536 PolarHBondContact OD1-N 3.25Å; D534-G537 VanDerWaalsContact CG-N 3.26Å; D534-G537 PolarHBondContact O-N 2.94Å; D534-G537 PolarHBondContact OD1-N 3.4Å; D534-G537 VanDerWaalsContact OD2-CA 3.29Å; D534-G537 WeakPolarHBondContact OD2-CA 3.23Å; D534-G537 PolarHBondContact OD2-N 3.44Å; D534-L538 WeakPolarHBondContact O-CB 3.48Å; D534-L538 PolarHBondContact O-N 2.91Å | ||
| 535 | V | 92.9 | Very high | 93.6 | Very high | 38 Ų | 38 | 52.4 Ų | 52.4 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -39.9 | -179.7 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | K533 L538 D539 V595 L598 | K533-V535 PolarHBondContact O-N 2.99Å; V535-L538 PolarHBondContact O-N 2.93Å; V535-D539 PolarHBondContact O-N 3.46Å; V535-V595 HydrophobicContact CG1-CG1 3.89Å; V535-V595 HydrophobicContact CG1-CG2 4.39Å; V535-L598 HydrophobicContact CG2-CB 3.68Å; V535-L598 HydrophobicContact CG2-CD1 4.32Å |
| 536 | D | 91.6 | Very high | 93.5 | Very high | 128 Ų | 128 | 52.4 Ų | 52.4 | 68% | 0.684 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -68.7 | -41.5 | 179.8 | -70.8 | -21.5 | 0 | 0 | 0 | 110.8 | D534 L538 R540 | D534-D536 VanDerWaalsContact C-N 3.32Å; D534-D536 PolarHBondContact O-N 3Å; D534-D536 PolarHBondContact OD1-N 3.25Å; D536-L538 VanDerWaalsContact C-N 3.33Å; D536-R540 VanDerWaalsContact O-CB 3.23Å; D536-R540 WeakPolarHBondContact O-CB 3.46Å; D536-R540 PolarHBondContact O-N 3.35Å; D536-R540 VanDerWaalsContact O-N 3.09Å |
| 537 | G | 93.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D534 T541 | D534-G537 VanDerWaalsContact CG-N 3.26Å; D534-G537 PolarHBondContact O-N 2.94Å; D534-G537 PolarHBondContact OD1-N 3.4Å; D534-G537 VanDerWaalsContact OD2-CA 3.29Å; D534-G537 WeakPolarHBondContact OD2-CA 3.23Å; D534-G537 PolarHBondContact OD2-N 3.44Å; G537-T541 WeakPolarHBondContact O-CB 3.41Å; G537-T541 VanDerWaalsContact O-CG2 3.31Å; G537-T541 WeakPolarHBondContact O-CG2 3.43Å; G537-T541 PolarHBondContact O-N 2.91Å; G537-T541 PolarHBondContact O-OG1 3.3Å |
| 538 | L | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -51 | 179.1 | -170.8 | 66.6 | 0 | 0 | 0 | 111.6 | C526 A529 L530 D534 V535 D536 R540 T541 A542 A594 V595 L598 F611 | C526-L538 WeakPolarHBondContact O-CD1 3.21Å; A529-L538 HydrophobicContact CB-CB 4.29Å; L530-L538 HydrophobicContact CB-CD1 4.17Å; L530-L538 HydrophobicContact CD1-CD1 4.36Å; L530-L538 HydrophobicContact CD1-CD2 3.97Å; D534-L538 WeakPolarHBondContact O-CB 3.48Å; D534-L538 PolarHBondContact O-N 2.91Å; V535-L538 PolarHBondContact O-N 2.93Å; D536-L538 VanDerWaalsContact C-N 3.33Å; L538-R540 PolarHBondContact O-N 3.35Å; L538-T541 PolarHBondContact O-N 3.1Å; L538-T541 PolarHBondContact O-OG1 3.33Å; L538-A542 WeakPolarHBondContact O-CB 3.48Å; L538-A542 PolarHBondContact O-N 3.5Å; L538-A594 HydrophobicContact CD2-CB 3.82Å; L538-V595 HydrophobicContact CD2-CG2 3.83Å; L538-V595 HydrophobicContact CG-CG2 4.34Å; L538-L598 HydrophobicContact CD2-CD1 4.28Å; L538-F611 HydrophobicContact CD1-CE1 4.45Å; L538-F611 HydrophobicContact CD1-CE2 4.23Å; L538-F611 HydrophobicContact CD1-CZ 3.67Å |
| 539 | D | 91.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 47% | 0.465 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 179.9 | -173.9 | 57.1 | 0 | 0 | 0 | 111.8 | V535 A542 G543 R546 | V535-D539 PolarHBondContact O-N 3.46Å; D539-A542 PolarHBondContact O-N 2.86Å; D539-G543 PolarHBondContact O-N 3.39Å; D539-R546 IonicContact OD1-NH2 3.79Å |
| 540 | R | 91.2 | Very high | 93.2 | Very high | 171 Ų | 171 | 52 Ų | 52 | 65% | 0.645 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.2 | -46.9 | 177.9 | -177.2 | 177.9 | 63.6 | -133.1 | -5.7 | 112.5 | D536 L538 G543 A544 | D536-R540 VanDerWaalsContact O-CB 3.23Å; D536-R540 WeakPolarHBondContact O-CB 3.46Å; D536-R540 PolarHBondContact O-N 3.35Å; D536-R540 VanDerWaalsContact O-N 3.09Å; L538-R540 PolarHBondContact O-N 3.35Å; R540-G543 PolarHBondContact O-N 2.71Å; R540-A544 PolarHBondContact O-N 2.83Å; R540-A544 VanDerWaalsContact O-N 3.14Å |
| 541 | T | 94.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.5 | -38.7 | -179.8 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | K525 C526 G537 L538 G543 A544 I545 | K525-T541 HydrophobicContact CB-CG2 3.87Å; C526-T541 WeakPolarHBondContact CA-OG1 3.33Å; C526-T541 WeakPolarHBondContact CB-OG1 3.45Å; G537-T541 WeakPolarHBondContact O-CB 3.41Å; G537-T541 VanDerWaalsContact O-CG2 3.31Å; G537-T541 WeakPolarHBondContact O-CG2 3.43Å; G537-T541 PolarHBondContact O-N 2.91Å; G537-T541 PolarHBondContact O-OG1 3.3Å; L538-T541 PolarHBondContact O-N 3.1Å; L538-T541 PolarHBondContact O-OG1 3.33Å; T541-G543 VanDerWaalsContact C-N 3.33Å; T541-G543 PolarHBondContact O-N 2.87Å; T541-A544 PolarHBondContact O-N 2.91Å; T541-I545 VanDerWaalsContact O-CG1 3.3Å; T541-I545 WeakPolarHBondContact O-CG1 3.41Å; T541-I545 PolarHBondContact O-N 3.07Å |
| 542 | A | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.2 | -36.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L538 D539 I545 R546 F587 V591 | L538-A542 WeakPolarHBondContact O-CB 3.48Å; L538-A542 PolarHBondContact O-N 3.5Å; D539-A542 PolarHBondContact O-N 2.86Å; A542-I545 PolarHBondContact O-N 2.81Å; A542-R546 WeakPolarHBondContact O-CB 3.4Å; A542-R546 VanDerWaalsContact O-CG 3.3Å; A542-R546 WeakPolarHBondContact O-CG 3.4Å; A542-R546 PolarHBondContact O-N 3.36Å; A542-R546 PolarHBondContact O-NE 3.27Å; A542-F587 HydrophobicContact CB-CE1 4.2Å; A542-F587 HydrophobicContact CB-CZ 4.04Å; A542-V591 HydrophobicContact CB-CB 4.24Å; A542-V591 HydrophobicContact CB-CG1 3.56Å; A542-V591 HydrophobicContact CB-CG2 3.7Å |
| 543 | G | 92.3 | Very high | 93.4 | Very high | 9 Ų | 9 | 42.1 Ų | 42.1 | 9% | 0.093 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.8 | -51.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D539 R540 T541 I545 R546 G547 | D539-G543 PolarHBondContact O-N 3.39Å; R540-G543 PolarHBondContact O-N 2.71Å; T541-G543 VanDerWaalsContact C-N 3.33Å; T541-G543 PolarHBondContact O-N 2.87Å; G543-I545 PolarHBondContact O-N 3.47Å; G543-R546 PolarHBondContact O-N 3.24Å; G543-G547 PolarHBondContact O-N 3.48Å |
| 544 | A | 91.7 | Very high | 93.5 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 19% | 0.19 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R540 T541 G547 R548 | R540-A544 PolarHBondContact O-N 2.83Å; R540-A544 VanDerWaalsContact O-N 3.14Å; T541-A544 PolarHBondContact O-N 2.91Å; A544-G547 PolarHBondContact O-N 2.93Å; A544-R548 WeakPolarHBondContact O-CB 3.49Å; A544-R548 PolarHBondContact O-N 3.38Å |
| 545 | I | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 176.4 | -67.2 | 164.3 | 0 | 0 | 0 | 110.7 | I519 D522 V523 C526 T541 A542 G543 R548 A549 F587 V618 | I519-I545 HydrophobicContact CD1-CG2 4.31Å; D522-I545 HydrophobicContact CB-CD1 4.27Å; D522-I545 HydrophobicContact CB-CG1 3.65Å; V523-I545 HydrophobicContact CG2-CD1 3.89Å; V523-I545 HydrophobicContact CG2-CG1 4.41Å; C526-I545 HydrophobicContact CB-CD1 3.87Å; T541-I545 VanDerWaalsContact O-CG1 3.3Å; T541-I545 WeakPolarHBondContact O-CG1 3.41Å; T541-I545 PolarHBondContact O-N 3.07Å; A542-I545 PolarHBondContact O-N 2.81Å; G543-I545 PolarHBondContact O-N 3.47Å; I545-R548 PolarHBondContact O-N 2.76Å; I545-A549 VanDerWaalsContact O-CB 3.29Å; I545-A549 WeakPolarHBondContact O-CB 3.07Å; I545-A549 PolarHBondContact O-N 2.94Å; I545-F587 HydrophobicContact CB-CE1 4.01Å; I545-F587 HydrophobicContact CB-CZ 4.17Å; I545-F587 HydrophobicContact CD1-CE1 4.38Å; I545-F587 HydrophobicContact CD1-CE2 4.32Å; I545-F587 HydrophobicContact CD1-CZ 3.66Å; I545-F587 HydrophobicContact CG2-CD1 4.25Å; I545-F587 HydrophobicContact CG2-CE1 3.68Å; I545-F587 HydrophobicContact CG2-CZ 3.96Å; I545-V618 HydrophobicContact CG2-CB 4.46Å; I545-V618 HydrophobicContact CG2-CG1 3.71Å; I545-V618 HydrophobicContact CG2-CG2 4.46Å |
| 546 | R | 94.7 | Very high | 93.3 | Very high | 88 Ų | 88 | 33.4 Ų | 33.4 | 33% | 0.332 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 178 | -74.5 | -178.3 | -67.3 | 176.9 | -3.4 | 111.7 | D539 A542 G543 R548 A550 M584 F587 | D539-R546 IonicContact OD1-NH2 3.79Å; A542-R546 WeakPolarHBondContact O-CB 3.4Å; A542-R546 VanDerWaalsContact O-CG 3.3Å; A542-R546 WeakPolarHBondContact O-CG 3.4Å; A542-R546 PolarHBondContact O-N 3.36Å; A542-R546 PolarHBondContact O-NE 3.27Å; G543-R546 PolarHBondContact O-N 3.24Å; R546-R548 PolarHBondContact O-N 3.13Å; R546-A550 WeakPolarHBondContact O-CB 3.36Å; R546-A550 PolarHBondContact O-N 3.42Å; R546-M584 HydrophobicContact CB-CE 4.19Å; R546-M584 HydrophobicContact CG-CE 3.69Å; R546-F587 HydrophobicContact CG-CE1 4.36Å |
| 547 | G | 92.2 | Very high | 93.3 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 14% | 0.144 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G543 A544 A550 R551 | G543-G547 PolarHBondContact O-N 3.48Å; A544-G547 PolarHBondContact O-N 2.93Å; G547-A550 PolarHBondContact O-N 2.86Å; G547-R551 VanDerWaalsContact O-CB 3.29Å; G547-R551 WeakPolarHBondContact O-CB 3.48Å; G547-R551 PolarHBondContact O-N 3.29Å |
| 548 | R | 93.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.8 | -40.5 | -177.1 | -157.2 | 177.4 | -49 | -96 | 11 | 112.1 | S391 D392 L395 H518 I519 D522 A544 I545 R546 R551 V552 | S391-R548 PolarHBondContact O-NH1 3.05Å; S391-R548 PolarHBondContact OG-NH1 3.22Å; D392-R548 IonicContact OD1-CZ 3.5Å; D392-R548 IonicContact OD1-NH1 3.33Å; D392-R548 PolarHBondContact OD1-NH1 2.81Å; D392-R548 IonicContact OD1-NH2 3.18Å; D392-R548 PolarHBondContact OD1-NH2 3.34Å; D392-R548 VanDerWaalsContact OD1-NH2 3.12Å; L395-R548 HydrophobicContact CD2-CB 3.42Å; L395-R548 VanDerWaalsContact CD2-CB 3.42Å; L395-R548 HydrophobicContact CD2-CG 3.87Å; H518-R548 VanDerWaalsContact CB-CZ 3.41Å; H518-R548 PolarHBondContact ND1-NH1 3.3Å; I519-R548 HydrophobicContact CD1-CB 3.87Å; I519-R548 HydrophobicContact CD1-CG 4.22Å; I519-R548 HydrophobicContact CG1-CG 4.39Å; D522-R548 IonicContact OD2-CZ 3.05Å; D522-R548 IonicContact OD2-NE 3.63Å; D522-R548 PolarHBondContact OD2-NE 2.66Å; D522-R548 IonicContact OD2-NH2 2.65Å; D522-R548 PolarHBondContact OD2-NH2 2.78Å; A544-R548 WeakPolarHBondContact O-CB 3.49Å; A544-R548 PolarHBondContact O-N 3.38Å; I545-R548 PolarHBondContact O-N 2.76Å; R546-R548 PolarHBondContact O-N 3.13Å; R548-R551 WeakPolarHBondContact O-CB 3.28Å; R548-R551 PolarHBondContact O-N 3.14Å; R548-V552 WeakPolarHBondContact O-CG2 3.33Å; R548-V552 PolarHBondContact O-N 3.21Å |
| 549 | A | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | I545 R551 V552 I553 M584 I622 | I545-A549 VanDerWaalsContact O-CB 3.29Å; I545-A549 WeakPolarHBondContact O-CB 3.07Å; I545-A549 PolarHBondContact O-N 2.94Å; A549-R551 VanDerWaalsContact C-N 3.31Å; A549-R551 PolarHBondContact O-N 3.06Å; A549-V552 PolarHBondContact O-N 2.99Å; A549-I553 WeakPolarHBondContact O-CD1 3.41Å; A549-I553 WeakPolarHBondContact O-CG1 3.32Å; A549-I553 PolarHBondContact O-N 3.23Å; A549-M584 HydrophobicContact CB-CE 3.94Å; A549-M584 HydrophobicContact CB-CG 4.1Å; A549-M584 HydrophobicContact CB-SD 3.44Å; A549-M584 WeakPolarHBondContact CB-SD 3.46Å; A549-I622 HydrophobicContact CB-CD1 4.1Å |
| 550 | A | 93.8 | Very high | 92.2 | Very high | 57 Ų | 57 | 30.1 Ų | 30.1 | 47% | 0.471 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | R546 G547 I553 H554 | R546-A550 WeakPolarHBondContact O-CB 3.36Å; R546-A550 PolarHBondContact O-N 3.42Å; G547-A550 PolarHBondContact O-N 2.86Å; A550-I553 PolarHBondContact O-N 3.47Å; A550-H554 PolarHBondContact O-N 2.85Å |
| 551 | R | 92.9 | Very high | 91.7 | Very high | 19 Ų | 19 | 28.7 Ų | 28.7 | 7% | 0.072 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.7 | -178.7 | 65.3 | 175.7 | 112.7 | 9.3 | 112.2 | D503 F511 G547 R548 A549 I553 H554 V555 | D503-R551 IonicContact OD1-CZ 2.74Å; D503-R551 IonicContact OD1-NH1 2.82Å; D503-R551 IonicContact OD1-NH2 3.97Å; D503-R551 PolarHBondContact OD1-NH2 3.24Å; D503-R551 IonicContact OD2-CZ 3.96Å; D503-R551 VanDerWaalsContact OD2-CZ 3.25Å; D503-R551 IonicContact OD2-NH1 3.92Å; D503-R551 PolarHBondContact OD2-NH1 3.15Å; D503-R551 IonicContact OD2-NH2 3.77Å; D503-R551 PolarHBondContact OD2-NH2 3.42Å; F511-R551 HydrophobicContact CE2-CG 4.31Å; F511-R551 HydrophobicContact CZ-CG 3.95Å; G547-R551 VanDerWaalsContact O-CB 3.29Å; G547-R551 WeakPolarHBondContact O-CB 3.48Å; G547-R551 PolarHBondContact O-N 3.29Å; R548-R551 WeakPolarHBondContact O-CB 3.28Å; R548-R551 PolarHBondContact O-N 3.14Å; A549-R551 VanDerWaalsContact C-N 3.31Å; A549-R551 PolarHBondContact O-N 3.06Å; R551-I553 VanDerWaalsContact C-N 3.34Å; R551-I553 PolarHBondContact O-N 3.24Å; R551-H554 PolarHBondContact O-N 3.35Å; R551-V555 VanDerWaalsContact CZ-CG2 3.5Å; R551-V555 WeakPolarHBondContact O-CG2 3.12Å; R551-V555 PolarHBondContact O-N 2.85Å |
| 552 | V | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.3 | -46.8 | 175.3 | 166.5 | 0 | 0 | 0 | 0 | 111 | F511 L512 R548 A549 H554 V555 V556 I625 | F511-V552 HydrophobicContact CE1-CG2 4Å; F511-V552 HydrophobicContact CZ-CG2 4.08Å; L512-V552 HydrophobicContact CD2-CG1 3.8Å; R548-V552 WeakPolarHBondContact O-CG2 3.33Å; R548-V552 PolarHBondContact O-N 3.21Å; A549-V552 PolarHBondContact O-N 2.99Å; V552-H554 VanDerWaalsContact C-N 3.34Å; V552-H554 PolarHBondContact O-N 3.12Å; V552-V555 PolarHBondContact O-N 2.86Å; V552-V556 HydrophobicContact CG1-CG2 4.29Å; V552-V556 WeakPolarHBondContact O-CB 3.33Å; V552-V556 VanDerWaalsContact O-CG2 3.22Å; V552-V556 WeakPolarHBondContact O-CG2 3.11Å; V552-V556 PolarHBondContact O-N 2.98Å; V552-I625 HydrophobicContact CG1-CD1 4.41Å; V552-I625 HydrophobicContact CG1-CG2 4.42Å |
| 553 | I | 95.6 | Very high | 89.3 | Confident | 29 Ų | 29 | 35.9 Ų | 35.9 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 177.2 | -66.4 | 156.8 | 0 | 0 | 0 | 110.5 | A549 A550 R551 T557 L579 | A549-I553 WeakPolarHBondContact O-CD1 3.41Å; A549-I553 WeakPolarHBondContact O-CG1 3.32Å; A549-I553 PolarHBondContact O-N 3.23Å; A550-I553 PolarHBondContact O-N 3.47Å; R551-I553 VanDerWaalsContact C-N 3.34Å; R551-I553 PolarHBondContact O-N 3.24Å; I553-T557 HydrophobicContact CG2-CG2 4.17Å; I553-T557 WeakPolarHBondContact O-CB 3.33Å; I553-T557 VanDerWaalsContact O-CG2 3.23Å; I553-T557 WeakPolarHBondContact O-CG2 3.12Å; I553-T557 PolarHBondContact O-N 3.35Å; I553-T557 PolarHBondContact O-OG1 3.1Å; I553-L579 HydrophobicContact CD1-CD2 4.06Å; I553-L579 HydrophobicContact CD1-CG 4.13Å; I553-L579 HydrophobicContact CG1-CD2 4.01Å |
| 554 | H | 92.7 | Very high | 87.8 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 19% | 0.19 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -49.3 | 178.8 | 174.9 | 69.3 | 0 | 0 | 0 | 112.7 | R496 D500 A550 R551 V552 V556 T557 S558 | R496-H554 PolarHBondContact NH2-CE1 2.86Å; R496-H554 PolarHBondContact NH2-ND1 2.83Å; D500-H554 IonicContact OD1-CD2 2.85Å; D500-H554 IonicContact OD1-CE1 2.86Å; D500-H554 IonicContact OD1-NE2 3.75Å; D500-H554 PolarHBondContact OD1-NE2 3.08Å; A550-H554 PolarHBondContact O-N 2.85Å; R551-H554 PolarHBondContact O-N 3.35Å; V552-H554 VanDerWaalsContact C-N 3.34Å; V552-H554 PolarHBondContact O-N 3.12Å; H554-V556 PolarHBondContact O-N 2.85Å; H554-T557 PolarHBondContact O-OG1 2.62Å; H554-T557 VanDerWaalsContact O-OG1 3.1Å; H554-S558 WeakPolarHBondContact O-CB 3.1Å; H554-S558 PolarHBondContact O-N 3.34Å |
| 555 | V | 90.9 | Very high | 86.9 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -50.4 | 178.1 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | I508 F511 R551 V552 S558 E559 | I508-V555 HydrophobicContact CD1-CG1 4.19Å; I508-V555 HydrophobicContact CG1-CG1 4.2Å; F511-V555 HydrophobicContact CD1-CB 4.15Å; F511-V555 HydrophobicContact CD1-CG1 3.87Å; F511-V555 HydrophobicContact CD1-CG2 4.1Å; F511-V555 HydrophobicContact CE1-CB 3.73Å; F511-V555 HydrophobicContact CE1-CG1 3.99Å; F511-V555 HydrophobicContact CE1-CG2 3.54Å; F511-V555 HydrophobicContact CE2-CG2 4.33Å; F511-V555 HydrophobicContact CZ-CB 4.36Å; F511-V555 HydrophobicContact CZ-CG2 3.7Å; R551-V555 VanDerWaalsContact CZ-CG2 3.5Å; R551-V555 WeakPolarHBondContact O-CG2 3.12Å; R551-V555 PolarHBondContact O-N 2.85Å; V552-V555 PolarHBondContact O-N 2.86Å; V555-S558 PolarHBondContact O-N 2.84Å; V555-E559 WeakPolarHBondContact O-CB 2.89Å; V555-E559 PolarHBondContact O-N 3.36Å |
| 556 | V | 91.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.2 | -43.2 | -173.9 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | I508 L512 V552 H554 E559 M560 V572 T576 I625 V629 | I508-V556 HydrophobicContact CD1-CG2 4.18Å; L512-V556 HydrophobicContact CD1-CG2 4.29Å; L512-V556 HydrophobicContact CD2-CG2 3.74Å; L512-V556 HydrophobicContact CG-CG2 4.49Å; V552-V556 HydrophobicContact CG1-CG2 4.29Å; V552-V556 WeakPolarHBondContact O-CB 3.33Å; V552-V556 VanDerWaalsContact O-CG2 3.22Å; V552-V556 WeakPolarHBondContact O-CG2 3.11Å; V552-V556 PolarHBondContact O-N 2.98Å; H554-V556 PolarHBondContact O-N 2.85Å; V556-E559 PolarHBondContact O-N 3.41Å; V556-M560 HydrophobicContact CG1-CG 4.5Å; V556-M560 VanDerWaalsContact O-CG 3.27Å; V556-M560 WeakPolarHBondContact O-CG 3.37Å; V556-M560 PolarHBondContact O-N 2.83Å; V556-V572 HydrophobicContact CG1-CG1 3.3Å; V556-T576 HydrophobicContact CB-CG2 4.04Å; V556-T576 HydrophobicContact CG1-CG2 3.64Å; V556-I625 HydrophobicContact CB-CG2 4.35Å; V556-I625 HydrophobicContact CG1-CG2 4.02Å; V556-I625 HydrophobicContact CG2-CG2 3.79Å; V556-V629 HydrophobicContact CG1-CG2 3.87Å; V556-V629 HydrophobicContact CG2-CG2 4.41Å |
| 557 | T | 92.2 | Very high | 84 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 178.1 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | I553 H554 E559 M560 D561 L573 | I553-T557 HydrophobicContact CG2-CG2 4.17Å; I553-T557 WeakPolarHBondContact O-CB 3.33Å; I553-T557 VanDerWaalsContact O-CG2 3.23Å; I553-T557 WeakPolarHBondContact O-CG2 3.12Å; I553-T557 PolarHBondContact O-N 3.35Å; I553-T557 PolarHBondContact O-OG1 3.1Å; H554-T557 PolarHBondContact O-OG1 2.62Å; H554-T557 VanDerWaalsContact O-OG1 3.1Å; T557-E559 VanDerWaalsContact C-N 3.35Å; T557-E559 PolarHBondContact O-N 3.36Å; T557-M560 PolarHBondContact O-N 2.83Å; T557-D561 PolarHBondContact O-N 3.18Å; T557-L573 HydrophobicContact CG2-CD2 3.91Å |
| 558 | S | 88.3 | Confident | 82.9 | Confident | 53 Ų | 53 | 50.7 Ų | 50.7 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 175.4 | -169.9 | 0 | 0 | 0 | 0 | 112.4 | H554 V555 M560 D561 | H554-S558 WeakPolarHBondContact O-CB 3.1Å; H554-S558 PolarHBondContact O-N 3.34Å; V555-S558 PolarHBondContact O-N 2.84Å; S558-M560 VanDerWaalsContact C-N 3.35Å; S558-D561 WeakPolarHBondContact O-CB 3.19Å; S558-D561 PolarHBondContact O-N 2.88Å |
| 559 | E | 81.4 | Confident | 81.9 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.5 | -37.9 | 176.1 | 175.9 | 62.8 | -177.8 | 0 | 0 | 111.1 | I508 V555 V556 T557 D561 N562 Y563 | I508-E559 HydrophobicContact CD1-CB 3.71Å; I508-E559 HydrophobicContact CD1-CG 3.58Å; V555-E559 WeakPolarHBondContact O-CB 2.89Å; V555-E559 PolarHBondContact O-N 3.36Å; V556-E559 PolarHBondContact O-N 3.41Å; T557-E559 VanDerWaalsContact C-N 3.35Å; T557-E559 PolarHBondContact O-N 3.36Å; E559-D561 PolarHBondContact O-N 3.35Å; E559-N562 VanDerWaalsContact O-CB 3.29Å; E559-N562 WeakPolarHBondContact O-CB 2.98Å; E559-N562 PolarHBondContact O-N 3.26Å; E559-N562 PolarHBondContact OE2-ND2 2.88Å; E559-Y563 HydrophobicContact CG-CE2 3.92Å; E559-Y563 WeakPolarHBondContact O-CD2 3.41Å; E559-Y563 WeakPolarHBondContact O-CE2 3.36Å; E559-Y563 WeakPolarHBondContact OE1-CE2 3.35Å; E559-Y563 PolarHBondContact OE1-OH 2.91Å |
| 560 | M | 85.1 | Confident | 81.2 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -23.6 | 178.1 | -70 | -54.2 | 95.7 | 0 | 0 | 113.5 | V556 T557 S558 N562 Y563 Y568 T569 V572 L573 | V556-M560 HydrophobicContact CG1-CG 4.5Å; V556-M560 VanDerWaalsContact O-CG 3.27Å; V556-M560 WeakPolarHBondContact O-CG 3.37Å; V556-M560 PolarHBondContact O-N 2.83Å; T557-M560 PolarHBondContact O-N 2.83Å; S558-M560 VanDerWaalsContact C-N 3.35Å; M560-N562 PolarHBondContact O-N 2.82Å; M560-Y563 HydrophobicContact CE-CD2 4.04Å; M560-Y563 HydrophobicContact CE-CE2 3.88Å; M560-Y563 PolarHBondContact O-N 3.17Å; M560-Y563 VanDerWaalsContact O-N 3.11Å; M560-Y563 HydrophobicContact SD-CD2 4.49Å; M560-Y568 HydrophobicContact CE-CE1 3.93Å; M560-Y568 HydrophobicContact SD-CD1 4.37Å; M560-Y568 HydrophobicContact SD-CE1 3.69Å; M560-T569 HydrophobicContact SD-CG2 4.28Å; M560-V572 HydrophobicContact CE-CG1 4.34Å; M560-V572 HydrophobicContact CG-CB 4.16Å; M560-V572 HydrophobicContact CG-CG1 3.68Å; M560-V572 HydrophobicContact SD-CB 3.78Å; M560-V572 HydrophobicContact SD-CG1 3.67Å; M560-V572 HydrophobicContact SD-CG2 3.98Å; M560-L573 HydrophobicContact CB-CD2 4.22Å; M560-L573 HydrophobicContact CB-CG 4.47Å; M560-L573 HydrophobicContact CG-CD2 4.26Å; M560-L573 HydrophobicContact CG-CG 4.41Å |
| 561 | D | 79.9 | Confident | 80.3 | Confident | 141 Ų | 141 | 58.2 Ų | 58.2 | 75% | 0.754 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18 | 174.4 | -71.7 | -21.6 | 0 | 0 | 0 | 112.8 | T557 S558 E559 Y563 | T557-D561 PolarHBondContact O-N 3.18Å; S558-D561 WeakPolarHBondContact O-CB 3.19Å; S558-D561 PolarHBondContact O-N 2.88Å; E559-D561 PolarHBondContact O-N 3.35Å; D561-Y563 VanDerWaalsContact C-N 3.28Å; D561-Y563 PolarHBondContact O-N 3.47Å |
| 562 | N | 74 | Confident | 79.7 | Confident | 115 Ų | 115 | 57.3 Ų | 57.3 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -10.7 | 175.4 | -64.8 | -41.3 | 0 | 0 | 0 | 113.3 | E559 M560 | E559-N562 VanDerWaalsContact O-CB 3.29Å; E559-N562 WeakPolarHBondContact O-CB 2.98Å; E559-N562 PolarHBondContact O-N 3.26Å; E559-N562 PolarHBondContact OE2-ND2 2.88Å; M560-N562 PolarHBondContact O-N 2.82Å |
| 563 | Y | 66.3 | Low | 79.5 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -108.8 | 151.5 | -174.3 | -59.2 | -98.2 | 0 | 0 | 0 | 111.7 | E559 M560 D561 Y568 E679 | E559-Y563 HydrophobicContact CG-CE2 3.92Å; E559-Y563 WeakPolarHBondContact O-CD2 3.41Å; E559-Y563 WeakPolarHBondContact O-CE2 3.36Å; E559-Y563 WeakPolarHBondContact OE1-CE2 3.35Å; E559-Y563 PolarHBondContact OE1-OH 2.91Å; M560-Y563 HydrophobicContact CE-CD2 4.04Å; M560-Y563 HydrophobicContact CE-CE2 3.88Å; M560-Y563 PolarHBondContact O-N 3.17Å; M560-Y563 VanDerWaalsContact O-N 3.11Å; M560-Y563 HydrophobicContact SD-CD2 4.49Å; D561-Y563 VanDerWaalsContact C-N 3.28Å; D561-Y563 PolarHBondContact O-N 3.47Å; Y563-Y568 HydrophobicContact CD1-CD1 4.44Å; Y563-Y568 HydrophobicContact CD1-CE1 4.06Å; Y563-Y568 HydrophobicContact CE1-CE1 4.24Å; Y563-Y568 HydrophobicContact CG-CE1 4.25Å; Y563-E679 WeakPolarHBondContact CD1-OE1 3.31Å; Y563-E679 WeakPolarHBondContact CE1-OE1 3.44Å |
| 564 | E | 60.3 | Low | 79.4 | Confident | 145 Ų | 145 | 65.7 Ų | 65.7 | 68% | 0.678 | 35% | 0.347 | S | S | * | . | trans | -73.5 | 133.1 | 174.7 | -167.6 | 164.3 | -151.3 | 0 | 0 | 109.3 | G566 K883 | E564-G566 PolarHBondContact O-N 3.15Å; E564-K883 IonicContact OE1-NZ 3.4Å; E564-K883 PolarHBondContact OE1-NZ 2.98Å | ||
| 565 | P | 72.1 | Confident | 79.4 | Confident | 117 Ų | 117 | 64.7 Ų | 64.7 | 76% | 0.76 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -54.9 | 128.8 | -178 | -28.8 | 35.2 | 0 | 0 | 0 | 113.3 | T569 | P565-T569 WeakPolarHBondContact CA-OG1 3.04Š|
| 566 | G | 65.3 | Low | 79.7 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 26% | 0.258 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -175.8 | -166.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E564 Y568 T569 E570 | E564-G566 PolarHBondContact O-N 3.15Å; G566-Y568 PolarHBondContact O-N 2.9Å; G566-Y568 VanDerWaalsContact O-N 3.14Å; G566-T569 PolarHBondContact N-OG1 3.2Å; G566-T569 PolarHBondContact O-N 3.28Å; G566-T569 VanDerWaalsContact O-N 3.15Å; G566-T569 PolarHBondContact O-OG1 2.63Å; G566-E570 WeakPolarHBondContact O-CB 3.49Å; G566-E570 VanDerWaalsContact O-CG 3.3Å; G566-E570 WeakPolarHBondContact O-CG 3.38Å; G566-E570 PolarHBondContact O-N 2.98Å |
| 567 | V | 64.2 | Low | 79.9 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 73% | 0.727 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -55 | -37.4 | -173.4 | -179.3 | 0 | 0 | 0 | 0 | 113 | K571 | V567-K571 WeakPolarHBondContact O-CB 3.23Å; V567-K571 PolarHBondContact O-N 3.06Å |
| 568 | Y | 69.7 | Low | 80.1 | Confident | 39 Ų | 39 | 73.3 Ų | 73.3 | 15% | 0.153 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.5 | -58.3 | 176.3 | 170.3 | -111.7 | 0 | 0 | 0 | 111.7 | M560 Y563 G566 E570 K571 V572 V629 I632 | M560-Y568 HydrophobicContact CE-CE1 3.93Å; M560-Y568 HydrophobicContact SD-CD1 4.37Å; M560-Y568 HydrophobicContact SD-CE1 3.69Å; Y563-Y568 HydrophobicContact CD1-CD1 4.44Å; Y563-Y568 HydrophobicContact CD1-CE1 4.06Å; Y563-Y568 HydrophobicContact CE1-CE1 4.24Å; Y563-Y568 HydrophobicContact CG-CE1 4.25Å; G566-Y568 PolarHBondContact O-N 2.9Å; G566-Y568 VanDerWaalsContact O-N 3.14Å; Y568-E570 VanDerWaalsContact C-N 3.28Å; Y568-E570 PolarHBondContact O-N 3.22Å; Y568-K571 PolarHBondContact O-N 2.96Å; Y568-V572 HydrophobicContact CD2-CG2 4.2Å; Y568-V572 HydrophobicContact CE2-CG2 3.78Å; Y568-V572 WeakPolarHBondContact O-CG2 3.47Å; Y568-V572 PolarHBondContact O-N 3.47Å; Y568-V572 VanDerWaalsContact O-N 3.08Å; Y568-V629 PolarHBondContact OH-O 3.31Å; Y568-I632 HydrophobicContact CD2-CB 4.23Å; Y568-I632 HydrophobicContact CD2-CG2 4.2Å; Y568-I632 HydrophobicContact CE1-CG2 4.31Å; Y568-I632 HydrophobicContact CE2-CB 3.92Å; Y568-I632 HydrophobicContact CE2-CG2 3.39Å; Y568-I632 VanDerWaalsContact CZ-CG2 3.45Å; Y568-I632 WeakPolarHBondContact OH-CG2 3.47Å |
| 569 | T | 73.6 | Confident | 80.6 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 6% | 0.055 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.2 | -37.6 | -179.3 | 56.9 | 0 | 0 | 0 | 0 | 111.3 | M560 P565 G566 L573 | M560-T569 HydrophobicContact SD-CG2 4.28Å; P565-T569 WeakPolarHBondContact CA-OG1 3.04Å; G566-T569 PolarHBondContact N-OG1 3.2Å; G566-T569 PolarHBondContact O-N 3.28Å; G566-T569 VanDerWaalsContact O-N 3.15Å; G566-T569 PolarHBondContact O-OG1 2.63Å; T569-L573 VanDerWaalsContact O-CB 3.23Å; T569-L573 WeakPolarHBondContact O-CB 3.34Å; T569-L573 WeakPolarHBondContact O-CG 3.47Å; T569-L573 PolarHBondContact O-N 2.89Å |
| 570 | E | 79.1 | Confident | 81.3 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 52% | 0.519 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 176.4 | -74.8 | 171.3 | -176.7 | 0 | 0 | 111.1 | G566 Y568 V572 L573 E574 | G566-E570 WeakPolarHBondContact O-CB 3.49Å; G566-E570 VanDerWaalsContact O-CG 3.3Å; G566-E570 WeakPolarHBondContact O-CG 3.38Å; G566-E570 PolarHBondContact O-N 2.98Å; Y568-E570 VanDerWaalsContact C-N 3.28Å; Y568-E570 PolarHBondContact O-N 3.22Å; E570-V572 PolarHBondContact O-N 3.22Å; E570-L573 PolarHBondContact O-N 2.95Å; E570-E574 WeakPolarHBondContact O-CB 3.22Å; E570-E574 VanDerWaalsContact O-CG 3.3Å; E570-E574 WeakPolarHBondContact O-CG 3.3Å; E570-E574 PolarHBondContact O-N 3.42Å |
| 571 | K | 75.3 | Confident | 81.9 | Confident | 102 Ų | 102 | 74.8 Ų | 74.8 | 44% | 0.443 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | -179.5 | -172.2 | 169.7 | -178.2 | 176.5 | 0 | 112.9 | V567 Y568 A575 M631 | V567-K571 WeakPolarHBondContact O-CB 3.23Å; V567-K571 PolarHBondContact O-N 3.06Å; Y568-K571 PolarHBondContact O-N 2.96Å; K571-A575 PolarHBondContact O-N 3.36Å; K571-M631 HydrophobicContact CD-CE 4.2Å; K571-M631 HydrophobicContact CD-SD 3.52Å; K571-M631 VanDerWaalsContact CD-SD 3.52Å; K571-M631 WeakPolarHBondContact CE-SD 3.36Å; K571-M631 VanDerWaalsContact NZ-CE 3.35Å; K571-M631 PolarHBondContact NZ-SD 3.1Å |
| 572 | V | 79.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66 | -45.1 | 175.5 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | V556 M560 Y568 E570 E574 A575 T576 A628 V629 | V556-V572 HydrophobicContact CG1-CG1 3.3Å; M560-V572 HydrophobicContact CE-CG1 4.34Å; M560-V572 HydrophobicContact CG-CB 4.16Å; M560-V572 HydrophobicContact CG-CG1 3.68Å; M560-V572 HydrophobicContact SD-CB 3.78Å; M560-V572 HydrophobicContact SD-CG1 3.67Å; M560-V572 HydrophobicContact SD-CG2 3.98Å; Y568-V572 HydrophobicContact CD2-CG2 4.2Å; Y568-V572 HydrophobicContact CE2-CG2 3.78Å; Y568-V572 WeakPolarHBondContact O-CG2 3.47Å; Y568-V572 PolarHBondContact O-N 3.47Å; Y568-V572 VanDerWaalsContact O-N 3.08Å; E570-V572 PolarHBondContact O-N 3.22Å; V572-E574 VanDerWaalsContact C-N 3.35Å; V572-E574 PolarHBondContact O-N 3Å; V572-A575 PolarHBondContact O-N 3.25Å; V572-T576 WeakPolarHBondContact O-CG2 3.15Å; V572-T576 PolarHBondContact O-N 2.93Å; V572-T576 PolarHBondContact O-OG1 3.13Å; V572-A628 HydrophobicContact CG2-CB 3.97Å; V572-V629 HydrophobicContact CG1-CG2 3.77Å; V572-V629 HydrophobicContact CG2-CG2 4.22Å |
| 573 | L | 92.2 | Very high | 83.9 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 38% | 0.377 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.1 | -31.2 | 179.6 | -68.4 | 174.6 | 0 | 0 | 0 | 112.7 | T557 M560 T569 E570 T576 K577 | T557-L573 HydrophobicContact CG2-CD2 3.91Å; M560-L573 HydrophobicContact CB-CD2 4.22Å; M560-L573 HydrophobicContact CB-CG 4.47Å; M560-L573 HydrophobicContact CG-CD2 4.26Å; M560-L573 HydrophobicContact CG-CG 4.41Å; T569-L573 VanDerWaalsContact O-CB 3.23Å; T569-L573 WeakPolarHBondContact O-CB 3.34Å; T569-L573 WeakPolarHBondContact O-CG 3.47Å; T569-L573 PolarHBondContact O-N 2.89Å; E570-L573 PolarHBondContact O-N 2.95Å; L573-T576 VanDerWaalsContact CA-OG1 3.32Å; L573-T576 WeakPolarHBondContact CA-OG1 3.14Å; L573-T576 PolarHBondContact O-OG1 3.31Å; L573-K577 WeakPolarHBondContact O-CB 3.41Å; L573-K577 PolarHBondContact O-N 3.03Å |
| 574 | E | 92.8 | Very high | 85.4 | Confident | 133 Ų | 133 | 64.4 Ų | 64.4 | 62% | 0.621 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.7 | -45.3 | 171.4 | -78.7 | 177.4 | 179.1 | 0 | 0 | 111.8 | E570 V572 K577 L578 | E570-E574 WeakPolarHBondContact O-CB 3.22Å; E570-E574 VanDerWaalsContact O-CG 3.3Å; E570-E574 WeakPolarHBondContact O-CG 3.3Å; E570-E574 PolarHBondContact O-N 3.42Å; V572-E574 VanDerWaalsContact C-N 3.35Å; V572-E574 PolarHBondContact O-N 3Å; E574-K577 PolarHBondContact O-N 3.31Å; E574-L578 PolarHBondContact O-N 2.89Å |
| 575 | A | 92.8 | Very high | 87.2 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 17% | 0.174 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K571 V572 K577 L578 L579 I625 | K571-A575 PolarHBondContact O-N 3.36Å; V572-A575 PolarHBondContact O-N 3.25Å; A575-K577 VanDerWaalsContact C-N 3.33Å; A575-K577 PolarHBondContact O-N 3.39Å; A575-L578 PolarHBondContact O-N 2.93Å; A575-L579 PolarHBondContact O-N 2.97Å; A575-L579 VanDerWaalsContact O-N 3.08Å; A575-I625 HydrophobicContact CB-CG1 3.82Å |
| 576 | T | 96.9 | Very high | 88.4 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | V556 V572 L573 L579 S580 I625 | V556-T576 HydrophobicContact CB-CG2 4.04Å; V556-T576 HydrophobicContact CG1-CG2 3.64Å; V572-T576 WeakPolarHBondContact O-CG2 3.15Å; V572-T576 PolarHBondContact O-N 2.93Å; V572-T576 PolarHBondContact O-OG1 3.13Å; L573-T576 VanDerWaalsContact CA-OG1 3.32Å; L573-T576 WeakPolarHBondContact CA-OG1 3.14Å; L573-T576 PolarHBondContact O-OG1 3.31Å; T576-L579 PolarHBondContact O-N 3.24Å; T576-S580 WeakPolarHBondContact O-CB 3.49Å; T576-S580 PolarHBondContact O-N 3.18Å; T576-S580 PolarHBondContact O-OG 3.35Å; T576-I625 HydrophobicContact CG2-CD1 3.94Å; T576-I625 HydrophobicContact CG2-CG1 4.05Å; T576-I625 HydrophobicContact CG2-CG2 4.09Å |
| 577 | K | 96.9 | Very high | 89.9 | Confident | 133 Ų | 133 | 60.4 Ų | 60.4 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.7 | -35.7 | 177.6 | -168.1 | 175 | -176.7 | 175.8 | 0 | 112.9 | L573 E574 A575 S580 N581 | L573-K577 WeakPolarHBondContact O-CB 3.41Å; L573-K577 PolarHBondContact O-N 3.03Å; E574-K577 PolarHBondContact O-N 3.31Å; A575-K577 VanDerWaalsContact C-N 3.33Å; A575-K577 PolarHBondContact O-N 3.39Å; K577-S580 PolarHBondContact O-OG 3.01Å; K577-N581 VanDerWaalsContact CG-ND2 3.28Å; K577-N581 WeakPolarHBondContact CG-ND2 3.5Å; K577-N581 VanDerWaalsContact O-CB 3.27Å; K577-N581 WeakPolarHBondContact O-CB 3.3Å; K577-N581 PolarHBondContact O-N 3.07Å |
| 578 | L | 96.7 | Very high | 91.5 | Very high | 98 Ų | 98 | 56.1 Ų | 56.1 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 173.9 | -178.8 | 66.1 | 0 | 0 | 0 | 110.9 | E574 A575 T582 V583 | E574-L578 PolarHBondContact O-N 2.89Å; A575-L578 PolarHBondContact O-N 2.93Å; L578-T582 HydrophobicContact CD1-CG2 4.33Å; L578-T582 WeakPolarHBondContact O-CB 3.21Å; L578-T582 PolarHBondContact O-N 3.28Å; L578-T582 VanDerWaalsContact O-N 3.09Å; L578-V583 PolarHBondContact O-N 3.43Å; L578-V583 VanDerWaalsContact O-N 3.12Å |
| 579 | L | 97.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -60 | -50.8 | 174.8 | -178.9 | 63.1 | 0 | 0 | 0 | 110.8 | I553 A575 T576 V583 M584 I622 I625 | I553-L579 HydrophobicContact CD1-CD2 4.06Å; I553-L579 HydrophobicContact CD1-CG 4.13Å; I553-L579 HydrophobicContact CG1-CD2 4.01Å; A575-L579 PolarHBondContact O-N 2.97Å; A575-L579 VanDerWaalsContact O-N 3.08Å; T576-L579 PolarHBondContact O-N 3.24Å; L579-V583 HydrophobicContact CD1-CB 3.99Å; L579-V583 HydrophobicContact CD1-CG1 3.87Å; L579-V583 PolarHBondContact O-N 2.96Å; L579-M584 HydrophobicContact CD1-CG 4.05Å; L579-M584 HydrophobicContact CD1-SD 4.18Å; L579-M584 HydrophobicContact CG-CG 4.17Å; L579-M584 WeakPolarHBondContact O-CB 3.48Å; L579-M584 WeakPolarHBondContact O-CG 3.24Å; L579-M584 PolarHBondContact O-N 3.23Å; L579-I622 HydrophobicContact CD1-CG1 4.39Å; L579-I622 HydrophobicContact CD2-CD1 4.28Å; L579-I622 HydrophobicContact CD2-CG1 3.52Å; L579-I625 HydrophobicContact CB-CD1 3.95Å; L579-I625 HydrophobicContact CD2-CD1 3.39Å; L579-I625 HydrophobicContact CG-CD1 4.31Å |
| 580 | S | 97.2 | Very high | 93.8 | Very high | 37 Ų | 37 | 61.1 Ų | 61.1 | 26% | 0.259 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -68.8 | -40.3 | -174.1 | 76.4 | 0 | 0 | 0 | 0 | 113.9 | T576 K577 P585 | T576-S580 WeakPolarHBondContact O-CB 3.49Å; T576-S580 PolarHBondContact O-N 3.18Å; T576-S580 PolarHBondContact O-OG 3.35Å; K577-S580 PolarHBondContact O-OG 3.01Å; S580-P585 WeakPolarHBondContact O-CD 3.46Å |
| 581 | N | 97.3 | Very high | 94.6 | Very high | 97 Ų | 97 | 56 Ų | 56 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -104.1 | -9.6 | -167.9 | -62 | -12.8 | 0 | 0 | 0 | 113.8 | K577 | K577-N581 VanDerWaalsContact CG-ND2 3.28Å; K577-N581 WeakPolarHBondContact CG-ND2 3.5Å; K577-N581 VanDerWaalsContact O-CB 3.27Å; K577-N581 WeakPolarHBondContact O-CB 3.3Å; K577-N581 PolarHBondContact O-N 3.07Å |
| 582 | T | 97.1 | Very high | 95.5 | Very high | 55 Ų | 55 | 56.4 Ų | 56.4 | 34% | 0.337 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -130 | -52.9 | -176.9 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | L578 R586 | L578-T582 HydrophobicContact CD1-CG2 4.33Å; L578-T582 WeakPolarHBondContact O-CB 3.21Å; L578-T582 PolarHBondContact O-N 3.28Å; L578-T582 VanDerWaalsContact O-N 3.09Å; T582-R586 VanDerWaalsContact O-CG 3.31Å; T582-R586 WeakPolarHBondContact O-CG 3.39Å; T582-R586 PolarHBondContact O-N 3.21Å |
| 583 | V | 97.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 58.6 Ų | 58.6 | 9% | 0.085 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -72.1 | -53.1 | -176.1 | 175 | 0 | 0 | 0 | 0 | 111.5 | L578 L579 R586 F587 L617 V618 | L578-V583 PolarHBondContact O-N 3.43Å; L578-V583 VanDerWaalsContact O-N 3.12Å; L579-V583 HydrophobicContact CD1-CB 3.99Å; L579-V583 HydrophobicContact CD1-CG1 3.87Å; L579-V583 PolarHBondContact O-N 2.96Å; V583-R586 PolarHBondContact O-N 3.26Å; V583-F587 PolarHBondContact O-N 2.94Å; V583-L617 VanDerWaalsContact CG1-C 3.45Å; V583-L617 HydrophobicContact CG1-CB 3.9Å; V583-L617 WeakPolarHBondContact CG1-O 3.49Å; V583-V618 HydrophobicContact CG1-CB 4.4Å; V583-V618 HydrophobicContact CG1-CG2 3.95Å |
| 584 | M | 97.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | -177.1 | -70.6 | -53 | -54 | 0 | 0 | 114.2 | R546 A549 L579 F587 T588 V618 | R546-M584 HydrophobicContact CB-CE 4.19Å; R546-M584 HydrophobicContact CG-CE 3.69Å; A549-M584 HydrophobicContact CB-CE 3.94Å; A549-M584 HydrophobicContact CB-CG 4.1Å; A549-M584 HydrophobicContact CB-SD 3.44Å; A549-M584 WeakPolarHBondContact CB-SD 3.46Å; L579-M584 HydrophobicContact CD1-CG 4.05Å; L579-M584 HydrophobicContact CD1-SD 4.18Å; L579-M584 HydrophobicContact CG-CG 4.17Å; L579-M584 WeakPolarHBondContact O-CB 3.48Å; L579-M584 WeakPolarHBondContact O-CG 3.24Å; L579-M584 PolarHBondContact O-N 3.23Å; M584-F587 HydrophobicContact CE-CD1 3.98Å; M584-F587 PolarHBondContact O-N 3.44Å; M584-T588 WeakPolarHBondContact O-CB 3.49Å; M584-T588 PolarHBondContact O-N 3.24Å; M584-T588 PolarHBondContact O-OG1 3.09Å; M584-V618 HydrophobicContact SD-CG1 3.85Å; M584-V618 HydrophobicContact SD-CG2 4Å |
| 585 | P | 97.9 | Very high | 96.2 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 173.6 | -27.6 | 37.3 | 0 | 0 | 0 | 113 | S580 T588 E589 | S580-P585 WeakPolarHBondContact O-CD 3.46Å; P585-T588 PolarHBondContact O-N 3.18Å; P585-E589 PolarHBondContact O-N 3.5Å |
| 586 | R | 97.1 | Very high | 96.1 | Very high | 143 Ų | 143 | 56.2 Ų | 56.2 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 177.3 | -74.5 | 178.4 | 177.3 | -168.8 | -1.5 | 112.4 | T582 V583 T588 E589 Q590 | T582-R586 VanDerWaalsContact O-CG 3.31Å; T582-R586 WeakPolarHBondContact O-CG 3.39Å; T582-R586 PolarHBondContact O-N 3.21Å; V583-R586 PolarHBondContact O-N 3.26Å; R586-T588 VanDerWaalsContact C-N 3.29Å; R586-T588 PolarHBondContact O-N 3.44Å; R586-E589 PolarHBondContact O-N 3.16Å; R586-Q590 WeakPolarHBondContact O-CG 3.34Å; R586-Q590 PolarHBondContact O-N 3.38Å |
| 587 | F | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59 | -43.5 | 174.6 | 171.2 | -105.7 | 0 | 0 | 0 | 111.4 | A542 I545 R546 V583 M584 Q590 V591 V618 | A542-F587 HydrophobicContact CB-CE1 4.2Å; A542-F587 HydrophobicContact CB-CZ 4.04Å; I545-F587 HydrophobicContact CB-CE1 4.01Å; I545-F587 HydrophobicContact CB-CZ 4.17Å; I545-F587 HydrophobicContact CD1-CE1 4.38Å; I545-F587 HydrophobicContact CD1-CE2 4.32Å; I545-F587 HydrophobicContact CD1-CZ 3.66Å; I545-F587 HydrophobicContact CG2-CD1 4.25Å; I545-F587 HydrophobicContact CG2-CE1 3.68Å; I545-F587 HydrophobicContact CG2-CZ 3.96Å; R546-F587 HydrophobicContact CG-CE1 4.36Å; V583-F587 PolarHBondContact O-N 2.94Å; M584-F587 HydrophobicContact CE-CD1 3.98Å; M584-F587 PolarHBondContact O-N 3.44Å; F587-Q590 PolarHBondContact O-N 3.01Å; F587-V591 HydrophobicContact CD1-CG2 4.44Å; F587-V591 HydrophobicContact CD2-CG2 4.26Å; F587-V591 HydrophobicContact CE1-CG2 3.96Å; F587-V591 HydrophobicContact CE2-CG2 3.74Å; F587-V591 HydrophobicContact CZ-CG2 3.57Å; F587-V591 WeakPolarHBondContact O-CG2 3.38Å; F587-V591 PolarHBondContact O-N 3.06Å; F587-V618 HydrophobicContact CB-CG2 3.72Å; F587-V618 HydrophobicContact CD1-CG2 4.21Å; F587-V618 HydrophobicContact CD2-CG2 4.01Å; F587-V618 HydrophobicContact CG-CG2 3.7Å |
| 588 | T | 96.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 179.1 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | M584 P585 R586 Q590 V591 E592 | M584-T588 WeakPolarHBondContact O-CB 3.49Å; M584-T588 PolarHBondContact O-N 3.24Å; M584-T588 PolarHBondContact O-OG1 3.09Å; P585-T588 PolarHBondContact O-N 3.18Å; R586-T588 VanDerWaalsContact C-N 3.29Å; R586-T588 PolarHBondContact O-N 3.44Å; T588-Q590 VanDerWaalsContact C-N 3.33Å; T588-Q590 PolarHBondContact O-N 2.85Å; T588-V591 PolarHBondContact O-N 3.22Å; T588-E592 WeakPolarHBondContact O-CG 3.26Å; T588-E592 PolarHBondContact O-N 3.3Å |
| 589 | E | 95.9 | Very high | 95.3 | Very high | 125 Ų | 125 | 50.5 Ų | 50.5 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.6 | -43.1 | 175.5 | -178.9 | 179.1 | -171.9 | 0 | 0 | 112 | P585 R586 E592 A593 | P585-E589 PolarHBondContact O-N 3.5Å; R586-E589 PolarHBondContact O-N 3.16Å; E589-E592 PolarHBondContact O-N 3.33Å; E589-A593 WeakPolarHBondContact O-CB 3.3Å; E589-A593 PolarHBondContact O-N 3.49Å |
| 590 | Q | 96.1 | Very high | 94.8 | Very high | 27 Ų | 27 | 53 Ų | 53 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 178.1 | -70.4 | -65.3 | -35.2 | 0 | 0 | 112.7 | R586 F587 T588 A594 E610 F611 A614 | R586-Q590 WeakPolarHBondContact O-CG 3.34Å; R586-Q590 PolarHBondContact O-N 3.38Å; F587-Q590 PolarHBondContact O-N 3.01Å; T588-Q590 VanDerWaalsContact C-N 3.33Å; T588-Q590 PolarHBondContact O-N 2.85Å; Q590-A594 VanDerWaalsContact O-CB 3.26Å; Q590-A594 WeakPolarHBondContact O-CB 3.3Å; Q590-A594 PolarHBondContact O-N 3.38Å; Q590-E610 PolarHBondContact NE2-OE1 3.05Å; Q590-E610 PolarHBondContact NE2-OE2 3.49Å; Q590-F611 HydrophobicContact CB-CD2 3.99Å; Q590-A614 HydrophobicContact CB-CB 4.24Å; Q590-A614 HydrophobicContact CG-CB 3.83Å |
| 591 | V | 95.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.03 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 172.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | A542 F587 T588 A593 A594 V595 F611 | A542-V591 HydrophobicContact CB-CB 4.24Å; A542-V591 HydrophobicContact CB-CG1 3.56Å; A542-V591 HydrophobicContact CB-CG2 3.7Å; F587-V591 HydrophobicContact CD1-CG2 4.44Å; F587-V591 HydrophobicContact CD2-CG2 4.26Å; F587-V591 HydrophobicContact CE1-CG2 3.96Å; F587-V591 HydrophobicContact CE2-CG2 3.74Å; F587-V591 HydrophobicContact CZ-CG2 3.57Å; F587-V591 WeakPolarHBondContact O-CG2 3.38Å; F587-V591 PolarHBondContact O-N 3.06Å; T588-V591 PolarHBondContact O-N 3.22Å; V591-A593 PolarHBondContact O-N 3.22Å; V591-A594 PolarHBondContact O-N 2.91Å; V591-V595 HydrophobicContact CG1-CG2 4.34Å; V591-V595 WeakPolarHBondContact O-CB 3.27Å; V591-V595 VanDerWaalsContact O-CG2 3.32Å; V591-V595 WeakPolarHBondContact O-CG2 3.49Å; V591-V595 PolarHBondContact O-N 3.12Å; V591-F611 HydrophobicContact CB-CE2 4.48Å; V591-F611 HydrophobicContact CG2-CE2 3.82Å; V591-F611 HydrophobicContact CG2-CZ 4.12Å |
| 592 | E | 93.8 | Very high | 93.4 | Very high | 109 Ų | 109 | 58.9 Ų | 58.9 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 178.1 | -72.4 | 171.7 | -177.8 | 0 | 0 | 111 | T588 E589 A594 V595 E596 | T588-E592 WeakPolarHBondContact O-CG 3.26Å; T588-E592 PolarHBondContact O-N 3.3Å; E589-E592 PolarHBondContact O-N 3.33Å; E592-A594 PolarHBondContact O-N 2.96Å; E592-V595 PolarHBondContact O-N 2.75Å; E592-E596 WeakPolarHBondContact O-CB 3.21Å; E592-E596 WeakPolarHBondContact O-CG 3.44Å; E592-E596 PolarHBondContact O-N 3.48Å |
| 593 | A | 93 | Very high | 92.7 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E589 V591 A597 | E589-A593 WeakPolarHBondContact O-CB 3.3Å; E589-A593 PolarHBondContact O-N 3.49Å; V591-A593 PolarHBondContact O-N 3.22Å; A593-A597 VanDerWaalsContact O-CB 3.26Å; A593-A597 WeakPolarHBondContact O-CB 3.47Å; A593-A597 PolarHBondContact O-N 3.34Å |
| 594 | A | 93.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L530 L538 Q590 V591 E592 A597 L598 F611 | L530-A594 HydrophobicContact CD1-CB 3.61Å; L538-A594 HydrophobicContact CD2-CB 3.82Å; Q590-A594 VanDerWaalsContact O-CB 3.26Å; Q590-A594 WeakPolarHBondContact O-CB 3.3Å; Q590-A594 PolarHBondContact O-N 3.38Å; V591-A594 PolarHBondContact O-N 2.91Å; E592-A594 PolarHBondContact O-N 2.96Å; A594-A597 PolarHBondContact O-N 2.95Å; A594-L598 WeakPolarHBondContact O-CB 3.5Å; A594-L598 VanDerWaalsContact O-CG 3.29Å; A594-L598 WeakPolarHBondContact O-CG 3.16Å; A594-L598 PolarHBondContact O-N 3.37Å; A594-F611 HydrophobicContact CB-CD2 4.01Å; A594-F611 HydrophobicContact CB-CE2 4.05Å |
| 595 | V | 93 | Very high | 91.4 | Very high | 33 Ų | 33 | 68.1 Ų | 68.1 | 20% | 0.2 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 176 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | V535 L538 V591 E592 L598 S599 | V535-V595 HydrophobicContact CG1-CG1 3.89Å; V535-V595 HydrophobicContact CG1-CG2 4.39Å; L538-V595 HydrophobicContact CD2-CG2 3.83Å; L538-V595 HydrophobicContact CG-CG2 4.34Å; V591-V595 HydrophobicContact CG1-CG2 4.34Å; V591-V595 WeakPolarHBondContact O-CB 3.27Å; V591-V595 VanDerWaalsContact O-CG2 3.32Å; V591-V595 WeakPolarHBondContact O-CG2 3.49Å; V591-V595 PolarHBondContact O-N 3.12Å; E592-V595 PolarHBondContact O-N 2.75Å; V595-L598 PolarHBondContact O-N 3.43Å; V595-S599 WeakPolarHBondContact O-CB 3.44Å; V595-S599 PolarHBondContact O-N 3.39Å; V595-S599 PolarHBondContact O-OG 3.25Å |
| 596 | E | 91.7 | Very high | 90.9 | Very high | 140 Ų | 140 | 67.7 Ų | 67.7 | 65% | 0.654 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 177.6 | -75 | -174.2 | 174.4 | 0 | 0 | 112.4 | E592 S599 S600 | E592-E596 WeakPolarHBondContact O-CB 3.21Å; E592-E596 WeakPolarHBondContact O-CG 3.44Å; E592-E596 PolarHBondContact O-N 3.48Å; E596-S599 PolarHBondContact O-N 3.49Å; E596-S600 PolarHBondContact O-N 3.23Å; E596-S600 PolarHBondContact O-OG 2.94Å |
| 597 | A | 91.6 | Very high | 90.5 | Very high | 12 Ų | 12 | 65 Ų | 65 | 10% | 0.099 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A593 A594 A603 Q604 M606 | A593-A597 VanDerWaalsContact O-CB 3.26Å; A593-A597 WeakPolarHBondContact O-CB 3.47Å; A593-A597 PolarHBondContact O-N 3.34Å; A594-A597 PolarHBondContact O-N 2.95Å; A597-A603 WeakPolarHBondContact O-CA 3.25Å; A597-Q604 HydrophobicContact CB-CB 4.12Å; A597-Q604 PolarHBondContact O-N 2.87Å; A597-M606 HydrophobicContact CB-CB 4.25Å |
| 598 | L | 90.9 | Very high | 90.2 | Very high | 24 Ų | 24 | 69 Ų | 69 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -75 | -30.9 | 177.9 | -71.2 | 175.7 | 0 | 0 | 0 | 113.2 | L530 K533 V535 L538 A594 V595 S600 M606 | L530-L598 HydrophobicContact CD1-CD1 4.21Å; K533-L598 HydrophobicContact CB-CD2 3.93Å; K533-L598 HydrophobicContact CD-CD2 4.06Å; K533-L598 HydrophobicContact CG-CD2 3.8Å; V535-L598 HydrophobicContact CG2-CB 3.68Å; V535-L598 HydrophobicContact CG2-CD1 4.32Å; L538-L598 HydrophobicContact CD2-CD1 4.28Å; A594-L598 WeakPolarHBondContact O-CB 3.5Å; A594-L598 VanDerWaalsContact O-CG 3.29Å; A594-L598 WeakPolarHBondContact O-CG 3.16Å; A594-L598 PolarHBondContact O-N 3.37Å; V595-L598 PolarHBondContact O-N 3.43Å; L598-S600 VanDerWaalsContact C-N 3.26Å; L598-S600 PolarHBondContact O-N 2.68Å; L598-M606 HydrophobicContact CD2-SD 4.31Å; L598-M606 HydrophobicContact CG-SD 4.23Å |
| 599 | S | 90.2 | Very high | 89.9 | Confident | 81 Ų | 81 | 73.5 Ų | 73.5 | 57% | 0.566 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -77.4 | -12.6 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | V595 E596 | V595-S599 WeakPolarHBondContact O-CB 3.44Å; V595-S599 PolarHBondContact O-N 3.39Å; V595-S599 PolarHBondContact O-OG 3.25Å; E596-S599 PolarHBondContact O-N 3.49Å |
| 600 | S | 89.3 | Confident | 89.8 | Confident | 53 Ų | 53 | 72.6 Ų | 72.6 | 37% | 0.371 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -78.8 | 143.6 | 175.7 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | E596 L598 P602 A603 | E596-S600 PolarHBondContact O-N 3.23Å; E596-S600 PolarHBondContact O-OG 2.94Å; L598-S600 VanDerWaalsContact C-N 3.26Å; L598-S600 PolarHBondContact O-N 2.68Å; S600-P602 CarbonylContact O-C 3.5Å; S600-A603 WeakPolarHBondContact O-CA 3.2Å; S600-A603 PolarHBondContact O-N 3.12Å |
| 601 | D | 83.9 | Confident | 89.7 | Confident | 164 Ų | 164 | 71.5 Ų | 71.5 | 88% | 0.877 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -117.8 | 112.7 | 174.7 | -172.1 | 14 | 0 | 0 | 0 | 111.2 | ||
| 602 | P | 80.6 | Confident | 89.5 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 61% | 0.61 | 42% | 0.417 | S | S | * | . | S | Bend | cis | -73.7 | 153.8 | -0.9 | 31.1 | -34.5 | 0 | 0 | 0 | 112.4 | S600 Q604 | S600-P602 CarbonylContact O-C 3.5Å; P602-Q604 PolarHBondContact O-N 3.47Å |
| 603 | A | 82.6 | Confident | 89.6 | Confident | 49 Ų | 49 | 73.4 Ų | 73.4 | 41% | 0.405 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -53 | 128.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | A597 S600 | A597-A603 WeakPolarHBondContact O-CA 3.25Å; S600-A603 WeakPolarHBondContact O-CA 3.2Å; S600-A603 PolarHBondContact O-N 3.12Å |
| 604 | Q | 85.6 | Confident | 89.7 | Confident | 107 Ų | 107 | 71.6 Ų | 71.6 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -78 | 150.8 | -179.5 | -66.4 | -65.2 | -38.8 | 0 | 0 | 110.5 | A597 P602 | A597-Q604 HydrophobicContact CB-CB 4.12Å; A597-Q604 PolarHBondContact O-N 2.87Å; P602-Q604 PolarHBondContact O-N 3.47Å |
| 605 | P | 81.6 | Confident | 89.7 | Confident | 124 Ų | 124 | 71.5 Ų | 71.5 | 81% | 0.805 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 133.2 | 174.4 | 27.7 | -32.5 | 0 | 0 | 0 | 110.5 | ||
| 606 | M | 87.9 | Confident | 89.8 | Confident | 52 Ų | 52 | 77.2 Ų | 77.2 | 26% | 0.256 | 42% | 0.417 | S | S | . | . | trans | -121.1 | 154.7 | 174.5 | 76.5 | -140.7 | -175.1 | 0 | 0 | 110.4 | L530 A597 L598 E608 | L530-M606 HydrophobicContact CD1-CE 3.24Å; L530-M606 HydrophobicContact CD1-SD 3.96Å; L530-M606 HydrophobicContact CD2-CE 3.82Å; L530-M606 HydrophobicContact CG-CE 3.32Å; A597-M606 HydrophobicContact CB-CB 4.25Å; L598-M606 HydrophobicContact CD2-SD 4.31Å; L598-M606 HydrophobicContact CG-SD 4.23Å; M606-E608 HydrophobicContact CE-CG 3.69Å; M606-E608 HydrophobicContact CG-CG 4.23Å; M606-E608 PolarHBondContact O-N 3Å | ||
| 607 | D | 89.7 | Confident | 90 | Very high | 87 Ų | 87 | 73.1 Ų | 73.1 | 47% | 0.465 | 40% | 0.4 | S | S | . | . | trans | -84.9 | 92.8 | 173.6 | -167 | -14.5 | 0 | 0 | 0 | 110.4 | N609 E610 F611 | D607-N609 PolarHBondContact O-N 2.92Å; D607-N609 WeakPolarHBondContact OD1-CB 3.31Å; D607-N609 PolarHBondContact OD1-N 3.36Å; D607-E610 HydrophobicContact CB-CB 4.06Å; D607-E610 PolarHBondContact O-N 3.37Å; D607-E610 PolarHBondContact OD1-N 3.11Å; D607-F611 PolarHBondContact O-N 2.78Å | ||
| 608 | E | 90.1 | Very high | 90.2 | Very high | 84 Ų | 84 | 72.6 Ų | 72.6 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.2 | -28.3 | 176.4 | -68.4 | -177.9 | -171.3 | 0 | 0 | 112.7 | L530 M606 I612 | L530-E608 HydrophobicContact CD2-CG 4.24Å; M606-E608 HydrophobicContact CE-CG 3.69Å; M606-E608 HydrophobicContact CG-CG 4.23Å; M606-E608 PolarHBondContact O-N 3Å; E608-I612 WeakPolarHBondContact O-CB 3.42Å; E608-I612 WeakPolarHBondContact O-CD1 3.47Å; E608-I612 WeakPolarHBondContact O-CG1 3.47Å; E608-I612 PolarHBondContact O-N 3.02Å |
| 609 | N | 91.3 | Very high | 90.3 | Very high | 125 Ų | 125 | 73.3 Ų | 73.3 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -71.8 | -39.9 | 179.7 | -64.2 | -63.2 | 0 | 0 | 0 | 111.4 | D607 F611 I612 D613 | D607-N609 PolarHBondContact O-N 2.92Å; D607-N609 WeakPolarHBondContact OD1-CB 3.31Å; D607-N609 PolarHBondContact OD1-N 3.36Å; N609-F611 VanDerWaalsContact C-N 3.33Å; N609-I612 PolarHBondContact O-N 3.46Å; N609-D613 WeakPolarHBondContact O-CB 3.32Å; N609-D613 PolarHBondContact O-N 3.18Å |
| 610 | E | 92.7 | Very high | 90.1 | Very high | 106 Ų | 106 | 71.4 Ų | 71.4 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 177 | -162.8 | 178.5 | -166.3 | 0 | 0 | 110.9 | Q590 D607 D613 A614 | Q590-E610 PolarHBondContact NE2-OE1 3.05Å; Q590-E610 PolarHBondContact NE2-OE2 3.49Å; D607-E610 HydrophobicContact CB-CB 4.06Å; D607-E610 PolarHBondContact O-N 3.37Å; D607-E610 PolarHBondContact OD1-N 3.11Å; E610-D613 PolarHBondContact O-N 3.16Å; E610-A614 WeakPolarHBondContact O-CB 3.41Å; E610-A614 PolarHBondContact O-N 3.41Å |
| 611 | F | 94.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 173.3 | -174 | -80.6 | 0 | 0 | 0 | 112.5 | V527 L530 L538 Q590 V591 A594 D607 N609 D613 A614 S615 | V527-F611 HydrophobicContact CG2-CD1 4.48Å; V527-F611 HydrophobicContact CG2-CE1 4.26Å; L530-F611 HydrophobicContact CD2-CB 4.02Å; L530-F611 HydrophobicContact CD2-CD1 3.48Å; L530-F611 VanDerWaalsContact CD2-CD1 3.48Å; L530-F611 HydrophobicContact CD2-CD2 4.27Å; L530-F611 HydrophobicContact CD2-CE1 3.99Å; L530-F611 HydrophobicContact CD2-CG 3.65Å; L538-F611 HydrophobicContact CD1-CE1 4.45Å; L538-F611 HydrophobicContact CD1-CE2 4.23Å; L538-F611 HydrophobicContact CD1-CZ 3.67Å; Q590-F611 HydrophobicContact CB-CD2 3.99Å; V591-F611 HydrophobicContact CB-CE2 4.48Å; V591-F611 HydrophobicContact CG2-CE2 3.82Å; V591-F611 HydrophobicContact CG2-CZ 4.12Å; A594-F611 HydrophobicContact CB-CD2 4.01Å; A594-F611 HydrophobicContact CB-CE2 4.05Å; D607-F611 PolarHBondContact O-N 2.78Å; N609-F611 VanDerWaalsContact C-N 3.33Å; F611-D613 VanDerWaalsContact C-N 3.34Å; F611-D613 PolarHBondContact O-N 3.31Å; F611-A614 PolarHBondContact O-N 3.07Å; F611-S615 VanDerWaalsContact CE1-OG 3.26Å; F611-S615 WeakPolarHBondContact CE1-OG 3.27Å; F611-S615 WeakPolarHBondContact O-CB 3.38Å; F611-S615 PolarHBondContact O-N 3.4Å; F611-S615 PolarHBondContact O-OG 3.05Å |
| 612 | I | 93.2 | Very high | 90.6 | Very high | 65 Ų | 65 | 61.6 Ų | 61.6 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 179.2 | -70.3 | 165.2 | 0 | 0 | 0 | 110.4 | V527 E608 N609 S615 R616 | V527-I612 HydrophobicContact CG1-CD1 4.32Å; V527-I612 HydrophobicContact CG1-CG1 3.97Å; V527-I612 HydrophobicContact CG2-CG1 4.21Å; E608-I612 WeakPolarHBondContact O-CB 3.42Å; E608-I612 WeakPolarHBondContact O-CD1 3.47Å; E608-I612 WeakPolarHBondContact O-CG1 3.47Å; E608-I612 PolarHBondContact O-N 3.02Å; N609-I612 PolarHBondContact O-N 3.46Å; I612-S615 PolarHBondContact O-N 3.42Å; I612-R616 WeakPolarHBondContact O-CB 3.22Å; I612-R616 PolarHBondContact O-N 2.71Å |
| 613 | D | 94.3 | Very high | 90.6 | Very high | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 176.1 | -171 | 62.3 | 0 | 0 | 0 | 111.4 | N609 E610 F611 S615 R616 L617 | N609-D613 WeakPolarHBondContact O-CB 3.32Å; N609-D613 PolarHBondContact O-N 3.18Å; E610-D613 PolarHBondContact O-N 3.16Å; F611-D613 VanDerWaalsContact C-N 3.34Å; F611-D613 PolarHBondContact O-N 3.31Å; D613-S615 VanDerWaalsContact C-N 3.3Å; D613-S615 PolarHBondContact O-N 3.04Å; D613-R616 WeakPolarHBondContact O-CB 3.44Å; D613-R616 PolarHBondContact O-N 3.16Å; D613-L617 WeakPolarHBondContact O-CG 3.2Å; D613-L617 PolarHBondContact O-N 2.98Å |
| 614 | A | 95.4 | Very high | 90.6 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q590 E610 F611 L617 V618 | Q590-A614 HydrophobicContact CB-CB 4.24Å; Q590-A614 HydrophobicContact CG-CB 3.83Å; E610-A614 WeakPolarHBondContact O-CB 3.41Å; E610-A614 PolarHBondContact O-N 3.41Å; F611-A614 PolarHBondContact O-N 3.07Å; A614-L617 PolarHBondContact O-N 3.45Å; A614-V618 PolarHBondContact O-N 3.29Å |
| 615 | S | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68 | -41.2 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | F611 I612 D613 L617 V618 | F611-S615 VanDerWaalsContact CE1-OG 3.26Å; F611-S615 WeakPolarHBondContact CE1-OG 3.27Å; F611-S615 WeakPolarHBondContact O-CB 3.38Å; F611-S615 PolarHBondContact O-N 3.4Å; F611-S615 PolarHBondContact O-OG 3.05Å; I612-S615 PolarHBondContact O-N 3.42Å; D613-S615 VanDerWaalsContact C-N 3.3Å; D613-S615 PolarHBondContact O-N 3.04Å; S615-L617 VanDerWaalsContact C-N 3.33Å; S615-L617 PolarHBondContact O-N 3.33Å; S615-V618 WeakPolarHBondContact O-CB 3.37Å; S615-V618 PolarHBondContact O-N 2.56Å |
| 616 | R | 93.6 | Very high | 90.7 | Very high | 154 Ų | 154 | 54.9 Ų | 54.9 | 58% | 0.581 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 174.4 | 178.5 | -174.7 | 174.5 | 163.9 | 1.1 | 112 | I612 D613 V618 Y619 D620 | I612-R616 WeakPolarHBondContact O-CB 3.22Å; I612-R616 PolarHBondContact O-N 2.71Å; D613-R616 WeakPolarHBondContact O-CB 3.44Å; D613-R616 PolarHBondContact O-N 3.16Å; R616-V618 PolarHBondContact O-N 2.87Å; R616-Y619 WeakPolarHBondContact O-CB 2.82Å; R616-Y619 PolarHBondContact O-N 2.94Å; R616-Y619 VanDerWaalsContact O-N 3.13Å; R616-D620 IonicContact NE-OD2 2.98Å; R616-D620 PolarHBondContact NE-OD2 3.18Å; R616-D620 PolarHBondContact O-N 2.75Å |
| 617 | L | 95.8 | Very high | 89.9 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -29.2 | 178.3 | -73.5 | 173.1 | 0 | 0 | 0 | 112.7 | V583 D613 A614 S615 G621 | V583-L617 VanDerWaalsContact CG1-C 3.45Å; V583-L617 HydrophobicContact CG1-CB 3.9Å; V583-L617 WeakPolarHBondContact CG1-O 3.49Å; D613-L617 WeakPolarHBondContact O-CG 3.2Å; D613-L617 PolarHBondContact O-N 2.98Å; A614-L617 PolarHBondContact O-N 3.45Å; S615-L617 VanDerWaalsContact C-N 3.33Å; S615-L617 PolarHBondContact O-N 3.33Å; L617-G621 PolarHBondContact O-N 3.49Å |
| 618 | V | 97.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 174 | -177.6 | 0 | 0 | 0 | 0 | 111 | I519 I545 V583 M584 F587 A614 S615 R616 G621 I622 | I519-V618 HydrophobicContact CD1-CG1 4.46Å; I519-V618 HydrophobicContact CG2-CG1 4.19Å; I545-V618 HydrophobicContact CG2-CB 4.46Å; I545-V618 HydrophobicContact CG2-CG1 3.71Å; I545-V618 HydrophobicContact CG2-CG2 4.46Å; V583-V618 HydrophobicContact CG1-CB 4.4Å; V583-V618 HydrophobicContact CG1-CG2 3.95Å; M584-V618 HydrophobicContact SD-CG1 3.85Å; M584-V618 HydrophobicContact SD-CG2 4Å; F587-V618 HydrophobicContact CB-CG2 3.72Å; F587-V618 HydrophobicContact CD1-CG2 4.21Å; F587-V618 HydrophobicContact CD2-CG2 4.01Å; F587-V618 HydrophobicContact CG-CG2 3.7Å; A614-V618 PolarHBondContact O-N 3.29Å; S615-V618 WeakPolarHBondContact O-CB 3.37Å; S615-V618 PolarHBondContact O-N 2.56Å; R616-V618 PolarHBondContact O-N 2.87Å; V618-G621 PolarHBondContact O-N 3.43Å; V618-I622 HydrophobicContact CG1-CD1 4.23Å; V618-I622 PolarHBondContact O-N 2.98Å; V618-I622 VanDerWaalsContact O-N 3.09Å |
| 619 | Y | 93.1 | Very high | 88.2 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -49.1 | 175.3 | 169.7 | -98.2 | 0 | 0 | 0 | 111.5 | E516 I519 L520 R616 G621 I622 R623 | E516-Y619 HydrophobicContact CG-CD2 4.27Å; E516-Y619 HydrophobicContact CG-CE2 3.61Å; E516-Y619 PolarHBondContact OE1-OH 3.48Å; I519-Y619 HydrophobicContact CG2-CD2 4.48Å; L520-Y619 HydrophobicContact CB-CD2 3.77Å; L520-Y619 HydrophobicContact CB-CE2 3.78Å; L520-Y619 HydrophobicContact CD1-CD2 4.03Å; L520-Y619 HydrophobicContact CD1-CE2 4.07Å; L520-Y619 HydrophobicContact CD1-CG 4.34Å; L520-Y619 HydrophobicContact CD2-CE2 4.16Å; L520-Y619 HydrophobicContact CG-CD2 4.4Å; L520-Y619 HydrophobicContact CG-CE2 4.22Å; R616-Y619 WeakPolarHBondContact O-CB 2.82Å; R616-Y619 PolarHBondContact O-N 2.94Å; R616-Y619 VanDerWaalsContact O-N 3.13Å; Y619-G621 VanDerWaalsContact C-N 3.31Å; Y619-G621 PolarHBondContact O-N 2.87Å; Y619-I622 PolarHBondContact O-N 3.47Å; Y619-R623 VanDerWaalsContact O-CB 3.3Å; Y619-R623 WeakPolarHBondContact O-CB 3.32Å; Y619-R623 PolarHBondContact O-N 3.34Å |
| 620 | D | 85.6 | Confident | 86.9 | Confident | 41 Ų | 41 | 44.9 Ų | 44.9 | 22% | 0.219 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | -179.9 | -75 | -26.4 | 0 | 0 | 0 | 111.3 | R616 R623 D624 | R616-D620 IonicContact NE-OD2 2.98Å; R616-D620 PolarHBondContact NE-OD2 3.18Å; R616-D620 PolarHBondContact O-N 2.75Å; D620-R623 PolarHBondContact O-N 3.24Å; D620-D624 WeakPolarHBondContact O-CB 3.17Å; D620-D624 VanDerWaalsContact O-CG 3.28Å; D620-D624 PolarHBondContact O-N 3.05Å |
| 621 | G | 91.8 | Very high | 85.2 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L617 V618 Y619 D624 I625 | L617-G621 PolarHBondContact O-N 3.49Å; V618-G621 PolarHBondContact O-N 3.43Å; Y619-G621 VanDerWaalsContact C-N 3.31Å; Y619-G621 PolarHBondContact O-N 2.87Å; G621-D624 PolarHBondContact O-N 3.5Å; G621-I625 WeakPolarHBondContact O-CG1 3.4Å; G621-I625 PolarHBondContact O-N 3.23Å |
| 622 | I | 91.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.1 | -39.6 | 176.6 | -71.3 | 173.4 | 0 | 0 | 0 | 110.9 | E516 I519 A549 L579 V618 Y619 D624 I625 R626 | E516-I622 HydrophobicContact CB-CG2 4.44Å; I519-I622 HydrophobicContact CB-CD1 4.29Å; I519-I622 HydrophobicContact CD1-CD1 3.49Å; I519-I622 VanDerWaalsContact CD1-CD1 3.49Å; I519-I622 HydrophobicContact CG1-CD1 3.41Å; I519-I622 VanDerWaalsContact CG1-CD1 3.41Å; I519-I622 HydrophobicContact CG2-CD1 4.18Å; A549-I622 HydrophobicContact CB-CD1 4.1Å; L579-I622 HydrophobicContact CD1-CG1 4.39Å; L579-I622 HydrophobicContact CD2-CD1 4.28Å; L579-I622 HydrophobicContact CD2-CG1 3.52Å; V618-I622 HydrophobicContact CG1-CD1 4.23Å; V618-I622 PolarHBondContact O-N 2.98Å; V618-I622 VanDerWaalsContact O-N 3.09Å; Y619-I622 PolarHBondContact O-N 3.47Å; I622-D624 VanDerWaalsContact C-N 3.31Å; I622-D624 PolarHBondContact O-N 3.08Å; I622-I625 PolarHBondContact O-N 2.81Å; I622-R626 PolarHBondContact O-N 3.38Å |
| 623 | R | 82.2 | Confident | 80.3 | Confident | 102 Ų | 102 | 44.2 Ų | 44.2 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.9 | -38.6 | 174.1 | -174.6 | 175.8 | -175.3 | -164.8 | 4.9 | 111.9 | E516 Y619 D620 R626 K627 | E516-R623 WeakPolarHBondContact OE1-CG 3.46Å; E516-R623 IonicContact OE1-NE 3.49Å; Y619-R623 VanDerWaalsContact O-CB 3.3Å; Y619-R623 WeakPolarHBondContact O-CB 3.32Å; Y619-R623 PolarHBondContact O-N 3.34Å; D620-R623 PolarHBondContact O-N 3.24Å; R623-R626 PolarHBondContact O-N 2.89Å; R623-K627 WeakPolarHBondContact O-CG 3.35Å; R623-K627 PolarHBondContact O-N 3.26Å |
| 624 | D | 82.2 | Confident | 77.6 | Confident | 77 Ų | 77 | 40 Ų | 40 | 41% | 0.412 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -72.1 | -35.9 | 177.6 | -75.1 | -14.2 | 0 | 0 | 0 | 112.6 | D620 G621 I622 K627 A628 | D620-D624 WeakPolarHBondContact O-CB 3.17Å; D620-D624 VanDerWaalsContact O-CG 3.28Å; D620-D624 PolarHBondContact O-N 3.05Å; G621-D624 PolarHBondContact O-N 3.5Å; I622-D624 VanDerWaalsContact C-N 3.31Å; I622-D624 PolarHBondContact O-N 3.08Å; D624-K627 PolarHBondContact O-N 3.12Å; D624-K627 IonicContact OD1-NZ 2.98Å; D624-K627 PolarHBondContact OD1-NZ 2.98Å; D624-A628 WeakPolarHBondContact O-CB 3.27Å; D624-A628 PolarHBondContact O-N 3.43Å |
| 625 | I | 87.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59 | -48.6 | 168.1 | -69 | 165.5 | 0 | 0 | 0 | 110 | V552 V556 A575 T576 L579 G621 I622 K627 A628 V629 | V552-I625 HydrophobicContact CG1-CD1 4.41Å; V552-I625 HydrophobicContact CG1-CG2 4.42Å; V556-I625 HydrophobicContact CB-CG2 4.35Å; V556-I625 HydrophobicContact CG1-CG2 4.02Å; V556-I625 HydrophobicContact CG2-CG2 3.79Å; A575-I625 HydrophobicContact CB-CG1 3.82Å; T576-I625 HydrophobicContact CG2-CD1 3.94Å; T576-I625 HydrophobicContact CG2-CG1 4.05Å; T576-I625 HydrophobicContact CG2-CG2 4.09Å; L579-I625 HydrophobicContact CB-CD1 3.95Å; L579-I625 HydrophobicContact CD2-CD1 3.39Å; L579-I625 HydrophobicContact CG-CD1 4.31Å; G621-I625 WeakPolarHBondContact O-CG1 3.4Å; G621-I625 PolarHBondContact O-N 3.23Å; I622-I625 PolarHBondContact O-N 2.81Å; I625-K627 PolarHBondContact O-N 3.42Å; I625-A628 WeakPolarHBondContact O-CB 3.33Å; I625-A628 PolarHBondContact O-N 2.89Å; I625-V629 HydrophobicContact CG2-CG2 4.37Å; I625-V629 WeakPolarHBondContact O-CG2 3.5Å; I625-V629 PolarHBondContact O-N 3.39Å |
| 626 | R | 81.9 | Confident | 71.9 | Confident | 54 Ų | 54 | 44 Ų | 44 | 20% | 0.204 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.8 | -49.6 | 176.9 | -175.9 | -173.4 | 177.9 | -165.3 | -3.1 | 111.1 | L512 E516 I622 R623 A628 V629 L630 | L512-R626 HydrophobicContact CB-CB 4.29Å; L512-R626 HydrophobicContact CB-CG 3.97Å; E516-R626 WeakPolarHBondContact OE2-CD 3.42Å; E516-R626 IonicContact OE2-CZ 3.81Å; E516-R626 IonicContact OE2-NE 2.85Å; E516-R626 IonicContact OE2-NH1 3.91Å; E516-R626 PolarHBondContact OE2-NH1 3.13Å; I622-R626 PolarHBondContact O-N 3.38Å; R623-R626 PolarHBondContact O-N 2.89Å; R626-A628 VanDerWaalsContact C-N 3.3Å; R626-A628 PolarHBondContact O-N 3.4Å; R626-V629 PolarHBondContact O-N 3.31Å; R626-L630 HydrophobicContact CG-CD1 3.82Å; R626-L630 HydrophobicContact CG-CG 4.19Å; R626-L630 WeakPolarHBondContact O-CB 3.4Å; R626-L630 VanDerWaalsContact O-CG 3.22Å; R626-L630 WeakPolarHBondContact O-CG 3.3Å; R626-L630 PolarHBondContact O-N 2.9Å |
| 627 | K | 71.2 | Confident | 69 | Low | 103 Ų | 103 | 38.3 Ų | 38.3 | 45% | 0.448 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -55.8 | -45.8 | 176 | -73.1 | 173.1 | -165.2 | 151.5 | 0 | 111.5 | R623 D624 I625 L630 M631 | R623-K627 WeakPolarHBondContact O-CG 3.35Å; R623-K627 PolarHBondContact O-N 3.26Å; D624-K627 PolarHBondContact O-N 3.12Å; D624-K627 IonicContact OD1-NZ 2.98Å; D624-K627 PolarHBondContact OD1-NZ 2.98Å; I625-K627 PolarHBondContact O-N 3.42Å; K627-L630 CarbonylContact O-C 3.14Å; K627-L630 PolarHBondContact O-N 2.98Å; K627-M631 VanDerWaalsContact O-CG 3.23Å; K627-M631 WeakPolarHBondContact O-CG 3.21Å; K627-M631 PolarHBondContact O-N 3.24Å |
| 628 | A | 72.9 | Confident | 66.3 | Low | 5 Ų | 5 | 38.1 Ų | 38.1 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V572 D624 I625 R626 L630 M631 | V572-A628 HydrophobicContact CG2-CB 3.97Å; D624-A628 WeakPolarHBondContact O-CB 3.27Å; D624-A628 PolarHBondContact O-N 3.43Å; I625-A628 WeakPolarHBondContact O-CB 3.33Å; I625-A628 PolarHBondContact O-N 2.89Å; R626-A628 VanDerWaalsContact C-N 3.3Å; R626-A628 PolarHBondContact O-N 3.4Å; A628-L630 VanDerWaalsContact C-N 3.32Å; A628-L630 PolarHBondContact O-N 3.4Å; A628-M631 WeakPolarHBondContact O-CB 3.45Å; A628-M631 PolarHBondContact O-N 2.86Å |
| 629 | V | 70.6 | Confident | 63.3 | Low | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -38.8 | 175.6 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | I508 L512 V556 Y568 V572 I625 R626 M631 I632 | I508-V629 HydrophobicContact CD1-CG1 4.28Å; L512-V629 HydrophobicContact CD1-CB 3.85Å; L512-V629 HydrophobicContact CD1-CG1 3.8Å; L512-V629 HydrophobicContact CD1-CG2 3.94Å; V556-V629 HydrophobicContact CG1-CG2 3.87Å; V556-V629 HydrophobicContact CG2-CG2 4.41Å; Y568-V629 PolarHBondContact OH-O 3.31Å; V572-V629 HydrophobicContact CG1-CG2 3.77Å; V572-V629 HydrophobicContact CG2-CG2 4.22Å; I625-V629 HydrophobicContact CG2-CG2 4.37Å; I625-V629 WeakPolarHBondContact O-CG2 3.5Å; I625-V629 PolarHBondContact O-N 3.39Å; R626-V629 PolarHBondContact O-N 3.31Å; V629-M631 VanDerWaalsContact C-N 3.29Å; V629-M631 PolarHBondContact O-N 3.49Å; V629-I632 WeakPolarHBondContact O-CG2 3.44Å |
| 630 | L | 64.3 | Low | 60.7 | Low | 29 Ų | 29 | 42.7 Ų | 42.7 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76.8 | -8.8 | 178.1 | -65.4 | -179.4 | 0 | 0 | 0 | 113.8 | D509 R626 K627 A628 I632 R633 L638 | D509-L630 HydrophobicContact CB-CD2 4.4Å; R626-L630 HydrophobicContact CG-CD1 3.82Å; R626-L630 HydrophobicContact CG-CG 4.19Å; R626-L630 WeakPolarHBondContact O-CB 3.4Å; R626-L630 VanDerWaalsContact O-CG 3.22Å; R626-L630 WeakPolarHBondContact O-CG 3.3Å; R626-L630 PolarHBondContact O-N 2.9Å; K627-L630 CarbonylContact O-C 3.14Å; K627-L630 PolarHBondContact O-N 2.98Å; A628-L630 VanDerWaalsContact C-N 3.32Å; A628-L630 PolarHBondContact O-N 3.4Å; L630-I632 PolarHBondContact O-N 3.24Å; L630-R633 HydrophobicContact CB-CB 4.47Å; L630-R633 HydrophobicContact CD2-CB 3.97Å; L630-R633 HydrophobicContact CD2-CG 3.7Å; L630-R633 PolarHBondContact O-N 2.72Å; L630-L638 HydrophobicContact CD1-CD2 3.94Å; L630-L638 HydrophobicContact CD2-CD2 3.74Å; L630-L638 HydrophobicContact CG-CD2 4.45Å |
| 631 | M | 56.3 | Low | 58.3 | Low | 99 Ų | 99 | 41.6 Ų | 41.6 | 49% | 0.488 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21 | 179.5 | -73.8 | -170.2 | 62.2 | 0 | 0 | 113.7 | K571 K627 A628 V629 | K571-M631 HydrophobicContact CD-CE 4.2Å; K571-M631 HydrophobicContact CD-SD 3.52Å; K571-M631 VanDerWaalsContact CD-SD 3.52Å; K571-M631 WeakPolarHBondContact CE-SD 3.36Å; K571-M631 VanDerWaalsContact NZ-CE 3.35Å; K571-M631 PolarHBondContact NZ-SD 3.1Å; K627-M631 VanDerWaalsContact O-CG 3.23Å; K627-M631 WeakPolarHBondContact O-CG 3.21Å; K627-M631 PolarHBondContact O-N 3.24Å; A628-M631 WeakPolarHBondContact O-CB 3.45Å; A628-M631 PolarHBondContact O-N 2.86Å; V629-M631 VanDerWaalsContact C-N 3.29Å; V629-M631 PolarHBondContact O-N 3.49Å |
| 632 | I | 45.5 | Very low | 55.6 | Low | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -23.2 | 172.7 | 178.1 | 160 | 0 | 0 | 0 | 113.4 | Y568 V629 L630 E679 Q680 | Y568-I632 HydrophobicContact CD2-CB 4.23Å; Y568-I632 HydrophobicContact CD2-CG2 4.2Å; Y568-I632 HydrophobicContact CE1-CG2 4.31Å; Y568-I632 HydrophobicContact CE2-CB 3.92Å; Y568-I632 HydrophobicContact CE2-CG2 3.39Å; Y568-I632 VanDerWaalsContact CZ-CG2 3.45Å; Y568-I632 WeakPolarHBondContact OH-CG2 3.47Å; V629-I632 WeakPolarHBondContact O-CG2 3.44Å; L630-I632 PolarHBondContact O-N 3.24Å; I632-E679 HydrophobicContact CD1-CB 3.81Å; I632-E679 HydrophobicContact CD1-CG 3.55Å; I632-E679 WeakPolarHBondContact CD1-OE1 3.49Å; I632-E679 WeakPolarHBondContact CD1-OE2 3.34Å; I632-Q680 PolarHBondContact O-NE2 3.01Å |
| 633 | R | 40.7 | Very low | 52.9 | Low | 45 Ų | 45 | 51 Ų | 51 | 17% | 0.17 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -79 | 136.3 | -174.4 | -59.7 | -72 | -173.2 | 169.2 | -5.5 | 110 | D509 L630 E637 | D509-R633 IonicContact OD1-CZ 2.73Å; D509-R633 IonicContact OD1-NE 2.98Å; D509-R633 PolarHBondContact OD1-NE 2.85Å; D509-R633 VanDerWaalsContact OD1-NE 3.13Å; D509-R633 IonicContact OD1-NH2 3.31Å; D509-R633 WeakPolarHBondContact OD2-CD 3.41Å; D509-R633 IonicContact OD2-CZ 3.48Å; D509-R633 IonicContact OD2-NE 3.58Å; D509-R633 PolarHBondContact OD2-NE 3Å; D509-R633 VanDerWaalsContact OD2-NE 3.12Å; D509-R633 IonicContact OD2-NH1 3.12Å; D509-R633 PolarHBondContact OD2-NH1 2.97Å; D509-R633 IonicContact OD2-NH2 3.73Å; L630-R633 HydrophobicContact CB-CB 4.47Å; L630-R633 HydrophobicContact CD2-CB 3.97Å; L630-R633 HydrophobicContact CD2-CG 3.7Å; L630-R633 PolarHBondContact O-N 2.72Å; R633-E637 WeakPolarHBondContact CA-OE2 3.47Å; R633-E637 WeakPolarHBondContact CB-OE2 3.44Å; R633-E637 WeakPolarHBondContact CD-OE2 3.29Å |
| 634 | T | 36.7 | Very low | 50.5 | Low | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | trans | -78.4 | 147.6 | 174.1 | 27.9 | 0 | 0 | 0 | 0 | 110.9 | E636 E637 L638 V809 S810 V812 D813 | T634-E636 PolarHBondContact O-N 2.81Å; T634-E637 PolarHBondContact N-OE2 3.07Å; T634-E637 WeakPolarHBondContact O-CA 3.21Å; T634-E637 WeakPolarHBondContact O-CB 3.29Å; T634-E637 PolarHBondContact O-N 3.5Å; T634-L638 PolarHBondContact O-N 3.26Å; T634-V809 VanDerWaalsContact CG2-O 3.26Å; T634-V809 WeakPolarHBondContact CG2-O 3.45Å; T634-S810 WeakPolarHBondContact CB-O 3.25Å; T634-V812 HydrophobicContact CG2-CB 3.74Å; T634-V812 HydrophobicContact CG2-CG2 3.83Å; T634-D813 PolarHBondContact OG1-OD2 3.06Å | ||
| 635 | P | 35.6 | Very low | 48 | Very low | 60 Ų | 60 | 56.7 Ų | 56.7 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -18.1 | 175 | -28.4 | 34.8 | 0 | 0 | 0 | 115.4 | L638 D639 | P635-L638 WeakPolarHBondContact O-CB 3.46Å; P635-D639 PolarHBondContact O-N 2.9Å |
| 636 | E | 33.8 | Very low | 45.2 | Very low | 32 Ų | 32 | 64 Ų | 64 | 15% | 0.15 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -21.8 | 175 | -66.1 | 160.8 | -157.1 | 0 | 0 | 112.3 | T634 L638 D639 S810 D813 S814 | T634-E636 PolarHBondContact O-N 2.81Å; E636-L638 PolarHBondContact O-N 2.98Å; E636-D639 WeakPolarHBondContact O-CB 3.39Å; E636-D639 PolarHBondContact O-N 3.09Å; E636-S810 VanDerWaalsContact OE1-O 3.09Å; E636-S810 PolarHBondContact OE1-OG 2.93Å; E636-S810 VanDerWaalsContact OE2-O 3.11Å; E636-D813 HydrophobicContact CB-CB 3.71Å; E636-S814 WeakPolarHBondContact OE2-CB 3.4Å; E636-S814 PolarHBondContact OE2-N 3.25Å |
| 637 | E | 34 | Very low | 42.8 | Very low | 36 Ų | 36 | 69 Ų | 69 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -23.1 | 169.4 | -120.6 | 162.3 | -165.2 | 0 | 0 | 108.7 | R633 T634 K683 D813 | R633-E637 WeakPolarHBondContact CA-OE2 3.47Å; R633-E637 WeakPolarHBondContact CB-OE2 3.44Å; R633-E637 WeakPolarHBondContact CD-OE2 3.29Å; T634-E637 PolarHBondContact N-OE2 3.07Å; T634-E637 WeakPolarHBondContact O-CA 3.21Å; T634-E637 WeakPolarHBondContact O-CB 3.29Å; T634-E637 PolarHBondContact O-N 3.5Å; E637-K683 IonicContact OE1-NZ 3.25Å; E637-K683 PolarHBondContact OE1-NZ 3.44Å; E637-K683 IonicContact OE2-NZ 3.66Å; E637-D813 VanDerWaalsContact CA-OD2 3.27Å; E637-D813 WeakPolarHBondContact CA-OD2 3.38Å; E637-D813 WeakPolarHBondContact CB-OD2 3.44Å; E637-D813 WeakPolarHBondContact CG-OD1 3.5Å; E637-D813 WeakPolarHBondContact CG-OD2 3.37Å; E637-D813 PolarHBondContact N-OD2 3.42Å |
| 638 | L | 37.6 | Very low | 40.8 | Very low | 49 Ų | 49 | 73.3 Ų | 73.3 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.7 | 170.5 | -58.9 | 173.4 | 0 | 0 | 0 | 113.7 | L630 T634 P635 E636 D640 S641 D642 | L630-L638 HydrophobicContact CD1-CD2 3.94Å; L630-L638 HydrophobicContact CD2-CD2 3.74Å; L630-L638 HydrophobicContact CG-CD2 4.45Å; T634-L638 PolarHBondContact O-N 3.26Å; P635-L638 WeakPolarHBondContact O-CB 3.46Å; E636-L638 PolarHBondContact O-N 2.98Å; L638-D640 VanDerWaalsContact C-N 3.33Å; L638-D640 PolarHBondContact O-N 3.04Å; L638-S641 WeakPolarHBondContact CA-OG 3.35Å; L638-S641 CarbonylContact O-C 3.6Å; L638-S641 WeakPolarHBondContact O-CA 3.42Å; L638-S641 WeakPolarHBondContact O-CB 3.19Å; L638-S641 PolarHBondContact O-N 3.22Å; L638-S641 PolarHBondContact O-OG 3.15Å; L638-D642 PolarHBondContact O-N 2.78Å; L638-D642 VanDerWaalsContact O-N 3.1Å |
| 639 | D | 36 | Very low | 38.6 | Very low | 60 Ų | 60 | 80.9 Ų | 80.9 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -75.4 | -20.8 | -177.6 | -166.6 | 5.6 | 0 | 0 | 0 | 112 | P635 E636 S641 D642 | P635-D639 PolarHBondContact O-N 2.9Å; E636-D639 WeakPolarHBondContact O-CB 3.39Å; E636-D639 PolarHBondContact O-N 3.09Å; D639-S641 PolarHBondContact O-N 3.13Å; D639-D642 WeakPolarHBondContact O-CB 3.45Å; D639-D642 PolarHBondContact O-N 3.41Å |
| 640 | D | 37.6 | Very low | 36.8 | Very low | 76 Ų | 76 | 87 Ų | 87 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -71.4 | -12.8 | 163.4 | -110 | -34.7 | 0 | 0 | 0 | 112.5 | R380 R383 L638 | R380-D640 WeakPolarHBondContact CD-O 3.48Å; R380-D640 WeakPolarHBondContact CG-O 3.35Å; R383-D640 IonicContact CZ-OD1 3.52Å; R383-D640 IonicContact NH1-OD1 3.43Å; R383-D640 VanDerWaalsContact NH2-CG 3.28Å; R383-D640 PolarHBondContact NH2-O 3.5Å; R383-D640 IonicContact NH2-OD1 2.7Å; R383-D640 PolarHBondContact NH2-OD1 3.46Å; L638-D640 VanDerWaalsContact C-N 3.33Å; L638-D640 PolarHBondContact O-N 3.04Å |
| 641 | S | 35.7 | Very low | 35.2 | Very low | 19 Ų | 19 | 96.4 Ų | 96.4 | 13% | 0.133 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -112.3 | 17.4 | 174.5 | 76.6 | 0 | 0 | 0 | 0 | 113.5 | L638 D639 F643 | L638-S641 WeakPolarHBondContact CA-OG 3.35Å; L638-S641 CarbonylContact O-C 3.6Å; L638-S641 WeakPolarHBondContact O-CA 3.42Å; L638-S641 WeakPolarHBondContact O-CB 3.19Å; L638-S641 PolarHBondContact O-N 3.22Å; L638-S641 PolarHBondContact O-OG 3.15Å; D639-S641 PolarHBondContact O-N 3.13Å; S641-F643 PolarHBondContact O-N 2.95Å |
| 642 | D | 33.7 | Very low | 33.8 | Very low | 88 Ų | 88 | 97.3 Ų | 97.3 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | trans | -43.3 | 104.9 | -177.7 | -124.4 | 13.2 | 0 | 0 | 0 | 111 | L638 D639 | L638-D642 PolarHBondContact O-N 2.78Å; L638-D642 VanDerWaalsContact O-N 3.1Å; D639-D642 WeakPolarHBondContact O-CB 3.45Å; D639-D642 PolarHBondContact O-N 3.41Å | ||
| 643 | F | 35.1 | Very low | 33 | Very low | 121 Ų | 121 | 108.5 Ų | 108.5 | 53% | 0.531 | 54% | 0.537 | S | S | . | . | trans | -101.3 | 109 | 167.9 | -136.9 | -91 | 0 | 0 | 0 | 104 | S641 T645 | S641-F643 PolarHBondContact O-N 2.95Å; F643-T645 PolarHBondContact O-N 3.48Å; F643-T645 VanDerWaalsContact O-N 3.08Å | ||
| 644 | E | 31.2 | Very low | 32.6 | Very low | 169 Ų | 169 | 113 Ų | 113 | 79% | 0.79 | 57% | 0.57 | S | S | * | * | trans | -53.7 | 116.5 | 152.7 | -67.9 | -168.1 | 167.8 | 0 | 0 | 105.4 | E646 | E644-E646 PolarHBondContact O-N 2.98Š| ||
| 645 | T | 30.5 | Very low | 32.1 | Very low | 128 Ų | 128 | 118.7 Ų | 118.7 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | trans | -52.5 | 97.7 | 157.7 | 30.2 | 0 | 0 | 0 | 0 | 106.5 | F643 D647 | F643-T645 PolarHBondContact O-N 3.48Å; F643-T645 VanDerWaalsContact O-N 3.08Å; T645-D647 PolarHBondContact O-N 3.05Å | ||
| 646 | E | 27.8 | Very low | 31.9 | Very low | 154 Ų | 154 | 122.1 Ų | 122.1 | 72% | 0.72 | 63% | 0.629 | S | S | * | * | trans | -55.9 | 124.9 | 163.6 | -73.7 | -174.6 | 175.7 | 0 | 0 | 106.7 | E644 F648 | E644-E646 PolarHBondContact O-N 2.98Å; E646-F648 PolarHBondContact O-N 3.09Å | ||
| 647 | D | 31.7 | Very low | 31.6 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 86% | 0.856 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -42 | 96.7 | -176.4 | -78.7 | -47.8 | 0 | 0 | 0 | 113.2 | T645 | T645-D647 PolarHBondContact O-N 3.05Š|
| 648 | F | 29 | Very low | 31.5 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 84% | 0.842 | 69% | 0.686 | S | S | * | * | trans | -135.4 | 17.6 | 164.8 | -93 | -78.8 | 0 | 0 | 0 | 113.9 | E646 V650 | E646-F648 PolarHBondContact O-N 3.09Å; F648-V650 PolarHBondContact O-N 3.31Å; F648-V650 VanDerWaalsContact O-N 3.17Å | ||
| 649 | D | 27 | Very low | 31.2 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 71% | 0.714 | S | S | * | * | trans | -88.4 | 74 | 170.5 | -95.1 | -24.9 | 0 | 0 | 0 | 111.7 | ||||
| 650 | V | 32.6 | Very low | 31 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | trans | -114.4 | 107.4 | 155.9 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | F648 | F648-V650 PolarHBondContact O-N 3.31Å; F648-V650 VanDerWaalsContact O-N 3.17Å | ||
| 651 | R | 31.3 | Very low | 30.8 | Very low | 227 Ų | 227 | 143.4 Ų | 143.4 | 86% | 0.857 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 92.8 | 94.5 | 170.4 | -65.6 | 170.8 | 171.2 | 172.1 | -1.9 | 116.6 | ||
| 652 | S | 27 | Very low | 30.7 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | -173.2 | 105.1 | 104.1 | -80.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 653 | R | 28.8 | Very low | 31 | Very low | 251 Ų | 251 | 152.9 Ų | 152.9 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | trans | -94.1 | 102.2 | 171.7 | -88 | -177.9 | 157.9 | 159.4 | -3.4 | 109.8 | ||||
| 654 | T | 30.9 | Very low | 31.4 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | trans | -160 | 97 | 151.6 | 34.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 655 | S | 28 | Very low | 32 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -148.7 | 129 | 153.5 | 64.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 656 | V | 31.6 | Very low | 33 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -71 | 130.3 | -174.8 | 172.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 657 | Q | 26 | Very low | 34.6 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -67.9 | 127.4 | 166.9 | -75.7 | 175.1 | -25.1 | 0 | 0 | 109 | ||||
| 658 | T | 32.6 | Very low | 36.7 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 64% | 0.644 | 72% | 0.724 | S | S | * | * | trans | -108.6 | 152.8 | 173.7 | 45.5 | 0 | 0 | 0 | 0 | 111.1 | D660 | T658-D660 PolarHBondContact O-N 2.77Š| ||
| 659 | E | 31.4 | Very low | 38.8 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 84% | 0.841 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -66.2 | -3.7 | -166.6 | -66.1 | 178.2 | 145.4 | 0 | 0 | 115.6 | D661 | E659-D661 PolarHBondContact O-N 3.46Š|
| 660 | D | 31.4 | Very low | 41.4 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -76.9 | -15.4 | -179.7 | -94.8 | -20.6 | 0 | 0 | 0 | 114.6 | T658 Q662 L663 | T658-D660 PolarHBondContact O-N 2.77Å; D660-Q662 PolarHBondContact O-N 2.79Å; D660-Q662 VanDerWaalsContact O-N 3.13Å; D660-L663 PolarHBondContact O-N 3.18Å |
| 661 | D | 33.2 | Very low | 43.5 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 65% | 0.647 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -65.7 | -12.4 | 175.8 | -88.6 | -15.5 | 0 | 0 | 0 | 113.3 | E659 | E659-D661 PolarHBondContact O-N 3.46Š|
| 662 | Q | 34.7 | Very low | 45.4 | Very low | 169 Ų | 169 | 107.4 Ų | 107.4 | 79% | 0.79 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -86.7 | -13.3 | -179.4 | -71.2 | -175.4 | 2.7 | 0 | 0 | 114.7 | D660 | D660-Q662 PolarHBondContact O-N 2.79Å; D660-Q662 VanDerWaalsContact O-N 3.13Å |
| 663 | L | 39 | Very low | 47.6 | Very low | 136 Ų | 136 | 102.1 Ų | 102.1 | 71% | 0.712 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -88 | -15.1 | -173.6 | -76.2 | 164.1 | 0 | 0 | 0 | 114.9 | D660 | D660-L663 PolarHBondContact O-N 3.18Š|
| 664 | I | 44.8 | Very low | 50.1 | Low | 44 Ų | 44 | 92.2 Ų | 92.2 | 23% | 0.226 | 54% | 0.535 | C | S | . | . | S | Bend | trans | -87.7 | -18.5 | -176.6 | -67.7 | -167.1 | 0 | 0 | 0 | 114.2 | G666 V800 N802 L807 | I664-G666 PolarHBondContact O-N 3.11Å; I664-V800 HydrophobicContact CD1-CG1 4.37Å; I664-V800 HydrophobicContact CG2-CB 4.36Å; I664-V800 HydrophobicContact CG2-CG1 3.84Å; I664-N802 HydrophobicContact CD1-CB 4.32Å; I664-N802 WeakPolarHBondContact CD1-ND2 3.43Å; I664-N802 WeakPolarHBondContact CD1-OD1 3.37Å; I664-L807 HydrophobicContact CD1-CD2 3.95Å; I664-L807 HydrophobicContact CD1-CG 4.19Å |
| 665 | A | 42.3 | Very low | 52.1 | Low | 102 Ų | 102 | 90.7 Ų | 90.7 | 84% | 0.843 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 6.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 666 | G | 51.2 | Low | 53.8 | Low | 73 Ų | 73 | 85.1 Ų | 85.1 | 75% | 0.753 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | -7.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 118 | I664 | I664-G666 PolarHBondContact O-N 3.11Š|
| 667 | Q | 62.4 | Low | 55.6 | Low | 93 Ų | 93 | 81.5 Ų | 81.5 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -95.4 | 138.3 | -176.9 | -64.4 | -168.9 | 7.5 | 0 | 0 | 113 | I672 | Q667-I672 HydrophobicContact CB-CD1 4.43Å; Q667-I672 HydrophobicContact CB-CG1 4.19Å |
| 668 | S | 74.6 | Confident | 57.5 | Low | 33 Ų | 33 | 80 Ų | 80 | 23% | 0.231 | 45% | 0.452 | C | S | . | . | trans | -68.9 | 142.7 | 177 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | R670 A671 I672 N738 | S668-R670 PolarHBondContact O-N 3.41Å; S668-A671 WeakPolarHBondContact O-CA 3.21Å; S668-A671 WeakPolarHBondContact O-CB 3.38Å; S668-A671 PolarHBondContact O-N 2.83Å; S668-A671 WeakPolarHBondContact OG-CB 3.44Å; S668-I672 PolarHBondContact O-N 3.47Å; S668-N738 WeakPolarHBondContact CA-OD1 3.36Å; S668-N738 WeakPolarHBondContact CB-OD1 3.04Å | ||
| 669 | A | 73.8 | Confident | 58.5 | Low | 21 Ų | 21 | 78 Ų | 78 | 17% | 0.174 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -54.2 | -33.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I672 M673 F729 K737 N738 | A669-I672 WeakPolarHBondContact O-CB 3.38Å; A669-I672 PolarHBondContact O-N 3.35Å; A669-M673 WeakPolarHBondContact O-CG 3.35Å; A669-M673 PolarHBondContact O-N 3.23Å; A669-F729 HydrophobicContact CB-CE2 4.31Å; A669-F729 HydrophobicContact CB-CZ 3.96Å; A669-K737 PolarHBondContact N-O 2.76Å; A669-N738 PolarHBondContact N-OD1 3.42Å |
| 670 | R | 82.4 | Confident | 59.8 | Low | 79 Ų | 79 | 69.9 Ų | 69.9 | 30% | 0.298 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 173.7 | -175.4 | -164.9 | 57.1 | 148.4 | 9.9 | 113 | S668 I672 M673 A674 F729 G732 G734 L736 K737 | S668-R670 PolarHBondContact O-N 3.41Å; R670-I672 PolarHBondContact O-N 2.9Å; R670-M673 PolarHBondContact O-N 2.91Å; R670-A674 PolarHBondContact O-N 3.04Å; R670-F729 HydrophobicContact CB-CD2 3.95Å; R670-F729 HydrophobicContact CB-CE2 3.86Å; R670-F729 HydrophobicContact CG-CD2 4.29Å; R670-G732 WeakPolarHBondContact O-CA 3.41Å; R670-G734 WeakPolarHBondContact CD-O 3.34Å; R670-G734 PolarHBondContact NH1-O 3.16Å; R670-L736 WeakPolarHBondContact CB-O 3.24Å; R670-L736 VanDerWaalsContact CD-O 3.24Å; R670-L736 WeakPolarHBondContact CD-O 3.3Å; R670-K737 WeakPolarHBondContact CB-O 3.44Å; R670-K737 PolarHBondContact N-O 3.15Å |
| 671 | A | 76.8 | Confident | 61.6 | Low | 28 Ų | 28 | 68 Ų | 68 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S668 A674 Q675 | S668-A671 WeakPolarHBondContact O-CA 3.21Å; S668-A671 WeakPolarHBondContact O-CB 3.38Å; S668-A671 PolarHBondContact O-N 2.83Å; S668-A671 WeakPolarHBondContact OG-CB 3.44Å; A671-A674 WeakPolarHBondContact O-CB 3.39Å; A671-A674 PolarHBondContact O-N 3.44Å; A671-Q675 WeakPolarHBondContact O-CG 3.44Å; A671-Q675 PolarHBondContact O-N 3.36Å |
| 672 | I | 71.4 | Confident | 63.4 | Low | 16 Ų | 16 | 65 Ų | 65 | 8% | 0.082 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 173.4 | -58.9 | 178.4 | 0 | 0 | 0 | 110.1 | Q667 S668 A669 R670 A674 Q675 L676 V800 V809 | Q667-I672 HydrophobicContact CB-CD1 4.43Å; Q667-I672 HydrophobicContact CB-CG1 4.19Å; S668-I672 PolarHBondContact O-N 3.47Å; A669-I672 WeakPolarHBondContact O-CB 3.38Å; A669-I672 PolarHBondContact O-N 3.35Å; R670-I672 PolarHBondContact O-N 2.9Å; I672-A674 PolarHBondContact O-N 2.92Å; I672-Q675 PolarHBondContact O-N 3.44Å; I672-L676 PolarHBondContact O-N 3.2Å; I672-V800 HydrophobicContact CD1-CG2 3.85Å; I672-V800 HydrophobicContact CG2-CG2 4.35Å; I672-V809 HydrophobicContact CG2-CB 3.94Å; I672-V809 HydrophobicContact CG2-CG1 3.49Å; I672-V809 VanDerWaalsContact CG2-CG1 3.49Å; I672-V809 HydrophobicContact CG2-CG2 3.13Å |
| 673 | M | 73.3 | Confident | 64.9 | Low | 7 Ų | 7 | 59.5 Ų | 59.5 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.3 | -30.4 | 172.8 | -63.6 | -57.4 | -79.3 | 0 | 0 | 113.5 | A669 R670 Q675 L676 I684 F729 T730 A815 | A669-M673 WeakPolarHBondContact O-CG 3.35Å; A669-M673 PolarHBondContact O-N 3.23Å; R670-M673 PolarHBondContact O-N 2.91Å; M673-Q675 VanDerWaalsContact C-N 3.31Å; M673-L676 HydrophobicContact CB-CD1 4.45Å; M673-L676 HydrophobicContact CE-CD1 3.84Å; M673-L676 WeakPolarHBondContact O-CD1 3.5Å; M673-L676 WeakPolarHBondContact O-CG 3.27Å; M673-L676 HydrophobicContact SD-CD1 3.95Å; M673-I684 HydrophobicContact CE-CD1 4.24Å; M673-F729 HydrophobicContact CG-CE1 4.26Å; M673-F729 HydrophobicContact CG-CZ 4.4Å; M673-T730 WeakPolarHBondContact CE-O 3.39Å; M673-A815 HydrophobicContact CE-CB 3.65Å |
| 674 | A | 79.8 | Confident | 66.3 | Low | 43 Ų | 43 | 53.2 Ų | 53.2 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.9 | -23.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | R670 A671 I672 K681 | R670-A674 PolarHBondContact O-N 3.04Å; A671-A674 WeakPolarHBondContact O-CB 3.39Å; A671-A674 PolarHBondContact O-N 3.44Å; I672-A674 PolarHBondContact O-N 2.92Å; A674-K681 WeakPolarHBondContact O-CE 3.26Å; A674-K681 PolarHBondContact O-NZ 2.9Å |
| 675 | Q | 73.9 | Confident | 67.9 | Low | 109 Ų | 109 | 53.6 Ų | 53.6 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -94.4 | -0.3 | -178.2 | -69.2 | 175.6 | 15.6 | 0 | 0 | 113.2 | A671 I672 M673 | A671-Q675 WeakPolarHBondContact O-CG 3.44Å; A671-Q675 PolarHBondContact O-N 3.36Å; I672-Q675 PolarHBondContact O-N 3.44Å; M673-Q675 VanDerWaalsContact C-N 3.31Å |
| 676 | L | 64 | Low | 69.4 | Low | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -51.3 | 146.9 | 177.1 | -68.9 | 172.5 | 0 | 0 | 0 | 112.8 | I672 M673 K681 I684 V809 V812 | I672-L676 PolarHBondContact O-N 3.2Å; M673-L676 HydrophobicContact CB-CD1 4.45Å; M673-L676 HydrophobicContact CE-CD1 3.84Å; M673-L676 WeakPolarHBondContact O-CD1 3.5Å; M673-L676 WeakPolarHBondContact O-CG 3.27Å; M673-L676 HydrophobicContact SD-CD1 3.95Å; L676-K681 HydrophobicContact CB-CG 4.2Å; L676-K681 WeakPolarHBondContact O-CD 3.43Å; L676-K681 WeakPolarHBondContact O-CE 3.48Å; L676-K681 PolarHBondContact O-NZ 2.91Å; L676-I684 HydrophobicContact CD1-CD1 3.82Å; L676-V809 HydrophobicContact CD2-CB 3.67Å; L676-V809 HydrophobicContact CD2-CG1 4.06Å; L676-V809 HydrophobicContact CD2-CG2 4.1Å; L676-V812 HydrophobicContact CD1-CG2 3.95Å; L676-V812 HydrophobicContact CD2-CG2 4Å |
| 677 | P | 68.8 | Low | 70.5 | Confident | 55 Ų | 55 | 54.7 Ų | 54.7 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | trans | -46.6 | 147.8 | 169.7 | -29.5 | 34 | 0 | 0 | 0 | 113.2 | E679 Q680 K681 | P677-E679 PolarHBondContact O-N 3.22Å; P677-E679 VanDerWaalsContact O-N 3.16Å; P677-Q680 PolarHBondContact O-N 3.05Å; P677-K681 PolarHBondContact O-N 2.76Å; P677-K681 VanDerWaalsContact O-N 3.09Å | ||
| 678 | Q | 65.2 | Low | 71.4 | Confident | 154 Ų | 154 | 50.5 Ų | 50.5 | 72% | 0.72 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.3 | -28.1 | -174.2 | -173.5 | 62.7 | 9 | 0 | 0 | 113 | K681 A682 | Q678-K681 WeakPolarHBondContact O-CB 3.13Å; Q678-A682 PolarHBondContact O-N 3.27Å |
| 679 | E | 53.9 | Low | 71.7 | Confident | 62 Ų | 62 | 51.9 Ų | 51.9 | 29% | 0.29 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -78.2 | -42 | -179.3 | -159.6 | 171.3 | 153.3 | 0 | 0 | 113.1 | Y563 I632 P677 K681 A682 K683 | Y563-E679 WeakPolarHBondContact CD1-OE1 3.31Å; Y563-E679 WeakPolarHBondContact CE1-OE1 3.44Å; I632-E679 HydrophobicContact CD1-CB 3.81Å; I632-E679 HydrophobicContact CD1-CG 3.55Å; I632-E679 WeakPolarHBondContact CD1-OE1 3.49Å; I632-E679 WeakPolarHBondContact CD1-OE2 3.34Å; P677-E679 PolarHBondContact O-N 3.22Å; P677-E679 VanDerWaalsContact O-N 3.16Å; E679-K681 VanDerWaalsContact C-N 3.26Å; E679-K681 PolarHBondContact O-N 2.95Å; E679-A682 WeakPolarHBondContact O-CA 3.43Å; E679-A682 VanDerWaalsContact O-CB 3.27Å; E679-A682 WeakPolarHBondContact O-CB 3.4Å; E679-A682 PolarHBondContact O-N 3.08Å; E679-K683 PolarHBondContact O-N 3.25Å; E679-K683 VanDerWaalsContact O-N 3.11Å |
| 680 | Q | 58.8 | Low | 71.8 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 171.2 | -68.7 | 177.5 | -7.1 | 0 | 0 | 111.2 | I632 P677 A682 K683 I684 V812 | I632-Q680 PolarHBondContact O-NE2 3.01Å; P677-Q680 PolarHBondContact O-N 3.05Å; Q680-A682 PolarHBondContact O-N 3.3Å; Q680-K683 PolarHBondContact O-N 3.35Å; Q680-I684 WeakPolarHBondContact O-CG1 3.38Å; Q680-I684 PolarHBondContact O-N 3.48Å; Q680-V812 HydrophobicContact CB-CG1 4.34Å; Q680-V812 HydrophobicContact CB-CG2 4.04Å; Q680-V812 HydrophobicContact CG-CG2 4.18Å |
| 681 | K | 70 | Confident | 72 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 30% | 0.304 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.1 | -32 | 170.1 | -76.3 | 171 | 173 | 151.8 | 0 | 112.8 | A674 L676 P677 Q678 E679 A685 | A674-K681 WeakPolarHBondContact O-CE 3.26Å; A674-K681 PolarHBondContact O-NZ 2.9Å; L676-K681 HydrophobicContact CB-CG 4.2Å; L676-K681 WeakPolarHBondContact O-CD 3.43Å; L676-K681 WeakPolarHBondContact O-CE 3.48Å; L676-K681 PolarHBondContact O-NZ 2.91Å; P677-K681 PolarHBondContact O-N 2.76Å; P677-K681 VanDerWaalsContact O-N 3.09Å; Q678-K681 WeakPolarHBondContact O-CB 3.13Å; E679-K681 VanDerWaalsContact C-N 3.26Å; E679-K681 PolarHBondContact O-N 2.95Å; K681-A685 WeakPolarHBondContact O-CB 3.28Å; K681-A685 PolarHBondContact O-N 3.42Å |
| 682 | A | 70.4 | Confident | 72.4 | Confident | 58 Ų | 58 | 50.3 Ų | 50.3 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.1 | -47.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q678 E679 Q680 I684 A685 E686 | Q678-A682 PolarHBondContact O-N 3.27Å; E679-A682 WeakPolarHBondContact O-CA 3.43Å; E679-A682 VanDerWaalsContact O-CB 3.27Å; E679-A682 WeakPolarHBondContact O-CB 3.4Å; E679-A682 PolarHBondContact O-N 3.08Å; Q680-A682 PolarHBondContact O-N 3.3Å; A682-I684 PolarHBondContact O-N 3.02Å; A682-A685 WeakPolarHBondContact O-CB 3.38Å; A682-A685 PolarHBondContact O-N 3.44Å; A682-A685 VanDerWaalsContact O-N 3.12Å; A682-E686 PolarHBondContact O-N 3.16Å |
| 683 | K | 65.6 | Low | 72.8 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.8 | -48 | 173.8 | -69.8 | -178.7 | 173.8 | -179.4 | 0 | 111.9 | E637 E679 Q680 A685 E686 Q687 M816 | E637-K683 IonicContact OE1-NZ 3.25Å; E637-K683 PolarHBondContact OE1-NZ 3.44Å; E637-K683 IonicContact OE2-NZ 3.66Å; E679-K683 PolarHBondContact O-N 3.25Å; E679-K683 VanDerWaalsContact O-N 3.11Å; Q680-K683 PolarHBondContact O-N 3.35Å; K683-A685 VanDerWaalsContact C-N 3.32Å; K683-A685 PolarHBondContact O-N 3.05Å; K683-E686 PolarHBondContact O-N 3.2Å; K683-Q687 PolarHBondContact O-N 3.46Å; K683-Q687 VanDerWaalsContact O-N 3.16Å; K683-M816 HydrophobicContact CB-SD 4.09Å |
| 684 | I | 69.8 | Low | 73.3 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 175.5 | -69.4 | 173.4 | 0 | 0 | 0 | 110.9 | M673 L676 Q680 A682 E686 Q687 V688 R731 V812 I819 | M673-I684 HydrophobicContact CE-CD1 4.24Å; L676-I684 HydrophobicContact CD1-CD1 3.82Å; Q680-I684 WeakPolarHBondContact O-CG1 3.38Å; Q680-I684 PolarHBondContact O-N 3.48Å; A682-I684 PolarHBondContact O-N 3.02Å; I684-E686 VanDerWaalsContact C-N 3.34Å; I684-E686 PolarHBondContact O-N 3.44Å; I684-Q687 PolarHBondContact O-N 2.93Å; I684-V688 HydrophobicContact CG2-CG2 4.19Å; I684-V688 WeakPolarHBondContact O-CB 3.37Å; I684-V688 WeakPolarHBondContact O-CG2 3.2Å; I684-V688 PolarHBondContact O-N 3.32Å; I684-R731 HydrophobicContact CG2-CG 4.1Å; I684-V812 HydrophobicContact CD1-CG1 4.11Å; I684-V812 HydrophobicContact CD1-CG2 4.43Å; I684-V812 HydrophobicContact CG1-CG1 4.13Å; I684-I819 HydrophobicContact CG2-CD1 4.02Å |
| 685 | A | 77.6 | Confident | 73.7 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65 | -35.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | K681 A682 K683 A689 | K681-A685 WeakPolarHBondContact O-CB 3.28Å; K681-A685 PolarHBondContact O-N 3.42Å; A682-A685 WeakPolarHBondContact O-CB 3.38Å; A682-A685 PolarHBondContact O-N 3.44Å; A682-A685 VanDerWaalsContact O-N 3.12Å; K683-A685 VanDerWaalsContact C-N 3.32Å; K683-A685 PolarHBondContact O-N 3.05Å; A685-A689 WeakPolarHBondContact O-CB 3.09Å; A685-A689 PolarHBondContact O-N 2.91Å |
| 686 | E | 74.9 | Confident | 74.1 | Confident | 142 Ų | 142 | 53.2 Ų | 53.2 | 66% | 0.664 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67 | -48.3 | 175.5 | -175.3 | 174 | -168.4 | 0 | 0 | 111.9 | A682 K683 I684 V688 A689 S690 | A682-E686 PolarHBondContact O-N 3.16Å; K683-E686 PolarHBondContact O-N 3.2Å; I684-E686 VanDerWaalsContact C-N 3.34Å; I684-E686 PolarHBondContact O-N 3.44Å; E686-V688 VanDerWaalsContact C-N 3.32Å; E686-V688 PolarHBondContact O-N 2.89Å; E686-A689 WeakPolarHBondContact O-CB 3.08Å; E686-A689 PolarHBondContact O-N 3.45Å; E686-A689 VanDerWaalsContact O-N 3.07Å; E686-S690 PolarHBondContact O-N 2.84Å |
| 687 | Q | 72.7 | Confident | 74.9 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 176.1 | -69.9 | -59.9 | -29 | 0 | 0 | 111.9 | K683 I684 A689 S690 F691 M816 I819 | K683-Q687 PolarHBondContact O-N 3.46Å; K683-Q687 VanDerWaalsContact O-N 3.16Å; I684-Q687 PolarHBondContact O-N 2.93Å; Q687-A689 VanDerWaalsContact C-N 3.32Å; Q687-A689 PolarHBondContact O-N 3.32Å; Q687-S690 PolarHBondContact O-N 3.42Å; Q687-F691 PolarHBondContact O-N 2.82Å; Q687-M816 HydrophobicContact CG-CG 4.45Å; Q687-I819 HydrophobicContact CB-CB 4.39Å; Q687-I819 HydrophobicContact CB-CD1 4.29Å; Q687-I819 HydrophobicContact CB-CG2 3.83Å; Q687-I819 WeakPolarHBondContact O-CG2 3.24Å |
| 688 | V | 82.1 | Confident | 75.7 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 173.6 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I684 E686 F691 Q692 R731 I819 | I684-V688 HydrophobicContact CG2-CG2 4.19Å; I684-V688 WeakPolarHBondContact O-CB 3.37Å; I684-V688 WeakPolarHBondContact O-CG2 3.2Å; I684-V688 PolarHBondContact O-N 3.32Å; E686-V688 VanDerWaalsContact C-N 3.32Å; E686-V688 PolarHBondContact O-N 2.89Å; V688-F691 WeakPolarHBondContact O-CB 3.22Å; V688-F691 PolarHBondContact O-N 2.78Å; V688-Q692 HydrophobicContact CG1-CG 4.15Å; V688-Q692 VanDerWaalsContact O-CG 3.24Å; V688-Q692 WeakPolarHBondContact O-CG 3.29Å; V688-Q692 PolarHBondContact O-N 3.2Å; V688-R731 HydrophobicContact CG2-CG 4.16Å; V688-I819 HydrophobicContact CG2-CD1 3.84Å; V688-I819 HydrophobicContact CG2-CG1 4.23Å; V688-I819 HydrophobicContact CG2-CG2 4.42Å |
| 689 | A | 80.8 | Confident | 76.4 | Confident | 61 Ų | 61 | 50.7 Ų | 50.7 | 50% | 0.504 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A685 E686 Q687 F691 Q692 E693 | A685-A689 WeakPolarHBondContact O-CB 3.09Å; A685-A689 PolarHBondContact O-N 2.91Å; E686-A689 WeakPolarHBondContact O-CB 3.08Å; E686-A689 PolarHBondContact O-N 3.45Å; E686-A689 VanDerWaalsContact O-N 3.07Å; Q687-A689 VanDerWaalsContact C-N 3.32Å; Q687-A689 PolarHBondContact O-N 3.32Å; A689-F691 VanDerWaalsContact C-N 3.32Å; A689-F691 PolarHBondContact O-N 3.47Å; A689-Q692 PolarHBondContact O-N 3.46Å; A689-Q692 VanDerWaalsContact O-N 3.16Å; A689-E693 PolarHBondContact O-N 2.98Å; A689-E693 VanDerWaalsContact O-N 3.15Å |
| 690 | S | 75.9 | Confident | 77.7 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 26% | 0.259 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 172.9 | -172.4 | 0 | 0 | 0 | 0 | 112 | E686 Q687 E693 K823 | E686-S690 PolarHBondContact O-N 2.84Å; Q687-S690 PolarHBondContact O-N 3.42Å; S690-E693 WeakPolarHBondContact O-CB 3.37Å; S690-E693 PolarHBondContact O-N 2.78Å; S690-K823 WeakPolarHBondContact OG-CD 3.46Å; S690-K823 PolarHBondContact OG-NZ 3.28Å |
| 691 | F | 86.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 172.5 | 169.4 | -92.5 | 0 | 0 | 0 | 113.1 | Q687 V688 A689 E693 E694 K695 M723 M724 T727 I819 A822 K823 M826 | Q687-F691 PolarHBondContact O-N 2.82Å; V688-F691 WeakPolarHBondContact O-CB 3.22Å; V688-F691 PolarHBondContact O-N 2.78Å; A689-F691 VanDerWaalsContact C-N 3.32Å; A689-F691 PolarHBondContact O-N 3.47Å; F691-E693 PolarHBondContact O-N 3.4Å; F691-E694 PolarHBondContact O-N 3.03Å; F691-K695 HydrophobicContact CE1-CB 4.4Å; F691-K695 WeakPolarHBondContact O-CB 3.45Å; F691-K695 PolarHBondContact O-N 2.73Å; F691-M723 HydrophobicContact CE2-CB 4.18Å; F691-M723 HydrophobicContact CZ-CB 4.01Å; F691-M724 HydrophobicContact CE1-CG 4.2Å; F691-M724 HydrophobicContact CZ-CG 4.46Å; F691-T727 HydrophobicContact CD1-CG2 3.91Å; F691-T727 HydrophobicContact CD2-CG2 4.08Å; F691-T727 HydrophobicContact CE1-CG2 3.85Å; F691-T727 HydrophobicContact CE2-CG2 4.04Å; F691-T727 HydrophobicContact CG-CG2 4.02Å; F691-T727 HydrophobicContact CZ-CG2 3.91Å; F691-I819 HydrophobicContact CB-CG2 4.08Å; F691-A822 HydrophobicContact CD2-CB 4.21Å; F691-A822 HydrophobicContact CE2-CB 3.92Å; F691-K823 HydrophobicContact CB-CB 4.31Å; F691-K823 HydrophobicContact CD2-CB 4.13Å; F691-M826 HydrophobicContact CE1-CE 4.3Å; F691-M826 HydrophobicContact CE2-CB 4.33Å; F691-M826 HydrophobicContact CE2-CE 3.46Å; F691-M826 VanDerWaalsContact CE2-CE 3.46Å; F691-M826 HydrophobicContact CZ-CE 3.29Å |
| 692 | Q | 84.9 | Confident | 79.4 | Confident | 59 Ų | 59 | 47.9 Ų | 47.9 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.9 | -29.1 | 179.5 | -71.6 | -67.9 | -19.4 | 0 | 0 | 112.4 | V688 A689 S696 | V688-Q692 HydrophobicContact CG1-CG 4.15Å; V688-Q692 VanDerWaalsContact O-CG 3.24Å; V688-Q692 WeakPolarHBondContact O-CG 3.29Å; V688-Q692 PolarHBondContact O-N 3.2Å; A689-Q692 PolarHBondContact O-N 3.46Å; A689-Q692 VanDerWaalsContact O-N 3.16Å; Q692-S696 WeakPolarHBondContact O-CB 3.07Å; Q692-S696 PolarHBondContact O-N 2.84Å; Q692-S696 PolarHBondContact O-OG 3.4Å |
| 693 | E | 80.3 | Confident | 79.9 | Confident | 109 Ų | 109 | 48.6 Ų | 48.6 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -51 | 172 | -165.2 | -162.3 | 142.1 | 0 | 0 | 111 | A689 S690 F691 K695 S696 K697 | A689-E693 PolarHBondContact O-N 2.98Å; A689-E693 VanDerWaalsContact O-N 3.15Å; S690-E693 WeakPolarHBondContact O-CB 3.37Å; S690-E693 PolarHBondContact O-N 2.78Å; F691-E693 PolarHBondContact O-N 3.4Å; E693-K695 VanDerWaalsContact C-N 3.34Å; E693-K695 PolarHBondContact O-N 2.95Å; E693-S696 WeakPolarHBondContact O-CB 2.99Å; E693-S696 PolarHBondContact O-N 2.81Å; E693-K697 PolarHBondContact O-N 2.85Å; E693-K697 VanDerWaalsContact O-N 3.11Å; E693-K697 WeakPolarHBondContact OE1-CE 3.07Å; E693-K697 IonicContact OE1-NZ 2.73Å; E693-K697 PolarHBondContact OE1-NZ 3.33Å |
| 694 | E | 83.8 | Confident | 80.5 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 12% | 0.117 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64 | -39.1 | 176.9 | -67.9 | -53.6 | 132.2 | 0 | 0 | 112.2 | F691 S696 K697 L698 K823 M826 N827 | F691-E694 PolarHBondContact O-N 3.03Å; E694-S696 VanDerWaalsContact C-N 3.31Å; E694-S696 PolarHBondContact O-N 2.98Å; E694-K697 WeakPolarHBondContact O-CB 3.42Å; E694-K697 PolarHBondContact O-N 3.17Å; E694-K697 IonicContact OE1-NZ 3.97Å; E694-K697 PolarHBondContact OE1-NZ 3.44Å; E694-L698 PolarHBondContact O-N 3.19Å; E694-K823 HydrophobicContact CB-CG 4.32Å; E694-K823 HydrophobicContact CG-CD 4.38Å; E694-K823 HydrophobicContact CG-CG 3.74Å; E694-M826 HydrophobicContact CB-CB 4.24Å; E694-M826 HydrophobicContact CB-CG 4.05Å; E694-N827 HydrophobicContact CG-CB 4.47Å; E694-N827 WeakPolarHBondContact OE2-CB 3.46Å |
| 695 | K | 87.8 | Confident | 81 | Confident | 36 Ų | 36 | 51 Ų | 51 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 173.7 | -175.9 | -92.9 | 178.9 | 173.2 | 0 | 111.7 | F691 E693 K697 L698 D699 M724 M826 | F691-K695 HydrophobicContact CE1-CB 4.4Å; F691-K695 WeakPolarHBondContact O-CB 3.45Å; F691-K695 PolarHBondContact O-N 2.73Å; E693-K695 VanDerWaalsContact C-N 3.34Å; E693-K695 PolarHBondContact O-N 2.95Å; K695-K697 VanDerWaalsContact C-N 3.29Å; K695-K697 PolarHBondContact O-N 3.47Å; K695-L698 PolarHBondContact O-N 3.46Å; K695-L698 VanDerWaalsContact O-N 3.14Å; K695-D699 WeakPolarHBondContact CE-OD2 3.38Å; K695-D699 IonicContact NZ-OD1 3.87Å; K695-D699 IonicContact NZ-OD2 3.49Å; K695-D699 PolarHBondContact NZ-OD2 3.33Å; K695-D699 PolarHBondContact O-N 3.3Å; K695-M724 HydrophobicContact CD-SD 4.41Å; K695-M724 VanDerWaalsContact CE-SD 3.53Å; K695-M724 HydrophobicContact CG-SD 4.41Å; K695-M826 HydrophobicContact CB-CE 4.23Å; K695-M826 HydrophobicContact CG-CE 4.29Å |
| 696 | S | 81.8 | Confident | 80.9 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.5 | -35.7 | 177.5 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | Q692 E693 E694 A700 | Q692-S696 WeakPolarHBondContact O-CB 3.07Å; Q692-S696 PolarHBondContact O-N 2.84Å; Q692-S696 PolarHBondContact O-OG 3.4Å; E693-S696 WeakPolarHBondContact O-CB 2.99Å; E693-S696 PolarHBondContact O-N 2.81Å; E694-S696 VanDerWaalsContact C-N 3.31Å; E694-S696 PolarHBondContact O-N 2.98Å; S696-A700 VanDerWaalsContact O-CB 3.31Å; S696-A700 WeakPolarHBondContact O-CB 3.36Å; S696-A700 PolarHBondContact O-N 3.37Å |
| 697 | K | 81.7 | Confident | 81 | Confident | 87 Ų | 87 | 47 Ų | 47 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 171.5 | -64.9 | 170.1 | -169.8 | 164.3 | 0 | 111.2 | E693 E694 K695 E701 | E693-K697 PolarHBondContact O-N 2.85Å; E693-K697 VanDerWaalsContact O-N 3.11Å; E693-K697 WeakPolarHBondContact OE1-CE 3.07Å; E693-K697 IonicContact OE1-NZ 2.73Å; E693-K697 PolarHBondContact OE1-NZ 3.33Å; E694-K697 WeakPolarHBondContact O-CB 3.42Å; E694-K697 PolarHBondContact O-N 3.17Å; E694-K697 IonicContact OE1-NZ 3.97Å; E694-K697 PolarHBondContact OE1-NZ 3.44Å; K695-K697 VanDerWaalsContact C-N 3.29Å; K695-K697 PolarHBondContact O-N 3.47Å; K697-E701 PolarHBondContact O-N 3.48Å; K697-E701 VanDerWaalsContact O-N 3.13Å |
| 698 | L | 84 | Confident | 81 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -47 | 176 | -172.2 | 61.6 | 0 | 0 | 0 | 112.9 | E694 K695 A700 E701 V702 C720 M826 V829 V830 | E694-L698 PolarHBondContact O-N 3.19Å; K695-L698 PolarHBondContact O-N 3.46Å; K695-L698 VanDerWaalsContact O-N 3.14Å; L698-A700 VanDerWaalsContact C-N 3.31Å; L698-A700 PolarHBondContact O-N 3.1Å; L698-E701 PolarHBondContact O-N 3.37Å; L698-E701 VanDerWaalsContact O-N 3.09Å; L698-V702 HydrophobicContact CD1-CG2 3.9Å; L698-V702 HydrophobicContact CG-CG2 4.27Å; L698-V702 WeakPolarHBondContact O-CB 3.49Å; L698-V702 PolarHBondContact O-N 3.26Å; L698-C720 HydrophobicContact CD2-CB 3.73Å; L698-M826 HydrophobicContact CB-SD 4.11Å; L698-M826 HydrophobicContact CD2-SD 3.31Å; L698-M826 WeakPolarHBondContact CD2-SD 3.44Å; L698-M826 HydrophobicContact CG-SD 4.34Å; L698-V829 HydrophobicContact CD1-CG1 4.15Å; L698-V829 HydrophobicContact CD2-CG1 4.22Å; L698-V830 HydrophobicContact CB-CG2 3.42Å; L698-V830 VanDerWaalsContact CB-CG2 3.42Å; L698-V830 HydrophobicContact CD1-CB 4.3Å; L698-V830 HydrophobicContact CD1-CG2 3.56Å; L698-V830 HydrophobicContact CG-CG2 4.01Å |
| 699 | D | 80.9 | Confident | 80.3 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 177 | -85.5 | -5.9 | 0 | 0 | 0 | 111.7 | K695 E701 S703 | K695-D699 WeakPolarHBondContact CE-OD2 3.38Å; K695-D699 IonicContact NZ-OD1 3.87Å; K695-D699 IonicContact NZ-OD2 3.49Å; K695-D699 PolarHBondContact NZ-OD2 3.33Å; K695-D699 PolarHBondContact O-N 3.3Å; D699-E701 PolarHBondContact O-N 3.09Å; D699-S703 WeakPolarHBondContact O-CB 3.5Å; D699-S703 PolarHBondContact O-N 2.95Å; D699-S703 PolarHBondContact O-OG 3.23Å |
| 700 | A | 80.2 | Confident | 80.2 | Confident | 56 Ų | 56 | 47 Ų | 47 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -33.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S696 L698 S703 K704 | S696-A700 VanDerWaalsContact O-CB 3.31Å; S696-A700 WeakPolarHBondContact O-CB 3.36Å; S696-A700 PolarHBondContact O-N 3.37Å; L698-A700 VanDerWaalsContact C-N 3.31Å; L698-A700 PolarHBondContact O-N 3.1Å; A700-S703 PolarHBondContact O-OG 2.95Å; A700-K704 VanDerWaalsContact O-CE 3.3Å; A700-K704 WeakPolarHBondContact O-CE 3.44Å |
| 701 | E | 84.1 | Confident | 80.2 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -78.6 | -53.5 | 177.7 | -169.6 | 56.2 | -133.5 | 0 | 0 | 112.1 | K697 L698 D699 S703 K704 W705 V833 K834 | K697-E701 PolarHBondContact O-N 3.48Å; K697-E701 VanDerWaalsContact O-N 3.13Å; L698-E701 PolarHBondContact O-N 3.37Å; L698-E701 VanDerWaalsContact O-N 3.09Å; D699-E701 PolarHBondContact O-N 3.09Å; E701-S703 VanDerWaalsContact C-N 3.3Å; E701-S703 PolarHBondContact O-N 2.95Å; E701-K704 WeakPolarHBondContact O-CB 3.34Å; E701-K704 WeakPolarHBondContact O-CG 3.33Å; E701-K704 PolarHBondContact O-N 3.45Å; E701-K704 IonicContact OE1-NZ 2.65Å; E701-K704 IonicContact OE2-NZ 3.25Å; E701-K704 PolarHBondContact OE2-NZ 2.88Å; E701-W705 PolarHBondContact OE1-NE1 2.98Å; E701-V833 HydrophobicContact CG-CG1 4.26Å; E701-K834 HydrophobicContact CG-CG 3.84Å; E701-K834 WeakPolarHBondContact OE2-CE 3.48Å |
| 702 | V | 82.1 | Confident | 79.9 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.055 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -33.3 | -177.9 | 153.2 | 0 | 0 | 0 | 0 | 112.4 | L698 K704 W705 I713 A716 K717 | L698-V702 HydrophobicContact CD1-CG2 3.9Å; L698-V702 HydrophobicContact CG-CG2 4.27Å; L698-V702 WeakPolarHBondContact O-CB 3.49Å; L698-V702 PolarHBondContact O-N 3.26Å; V702-K704 PolarHBondContact O-N 3.38Å; V702-W705 PolarHBondContact O-N 3.13Å; V702-W705 VanDerWaalsContact O-N 3.09Å; V702-I713 HydrophobicContact CG1-CG2 4.09Å; V702-I713 HydrophobicContact CG2-CD1 4.16Å; V702-A716 HydrophobicContact CG2-CB 4.2Å; V702-K717 HydrophobicContact CG1-CD 3.99Å; V702-K717 HydrophobicContact CG1-CG 3.59Å |
| 703 | S | 79.8 | Confident | 79.9 | Confident | 73 Ų | 73 | 46.3 Ų | 46.3 | 51% | 0.51 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.2 | 179.8 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | D699 A700 E701 | D699-S703 WeakPolarHBondContact O-CB 3.5Å; D699-S703 PolarHBondContact O-N 2.95Å; D699-S703 PolarHBondContact O-OG 3.23Å; A700-S703 PolarHBondContact O-OG 2.95Å; E701-S703 VanDerWaalsContact C-N 3.3Å; E701-S703 PolarHBondContact O-N 2.95Å |
| 704 | K | 78.1 | Confident | 80.1 | Confident | 93 Ų | 93 | 44.1 Ų | 44.1 | 40% | 0.404 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -23.4 | 174.5 | -59.5 | 169.9 | -173.5 | 170.1 | 0 | 112.1 | A700 E701 V702 M861 K862 | A700-K704 VanDerWaalsContact O-CE 3.3Å; A700-K704 WeakPolarHBondContact O-CE 3.44Å; E701-K704 WeakPolarHBondContact O-CB 3.34Å; E701-K704 WeakPolarHBondContact O-CG 3.33Å; E701-K704 PolarHBondContact O-N 3.45Å; E701-K704 IonicContact OE1-NZ 2.65Å; E701-K704 IonicContact OE2-NZ 3.25Å; E701-K704 PolarHBondContact OE2-NZ 2.88Å; V702-K704 PolarHBondContact O-N 3.38Å; K704-M861 WeakPolarHBondContact O-CA 3.43Å; K704-K862 PolarHBondContact O-N 3Å |
| 705 | W | 79.6 | Confident | 80.2 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138.6 | -167.7 | -56.5 | 107.3 | 0 | 0 | 0 | 111.2 | E701 V702 I713 Y837 W859 M861 | E701-W705 PolarHBondContact OE1-NE1 2.98Å; V702-W705 PolarHBondContact O-N 3.13Å; V702-W705 VanDerWaalsContact O-N 3.09Å; W705-I713 HydrophobicContact CB-CD1 3.91Å; W705-I713 HydrophobicContact CB-CG1 3.98Å; W705-I713 HydrophobicContact CG-CD1 3.98Å; W705-I713 HydrophobicContact CG-CG1 4.44Å; W705-Y837 HydrophobicContact CH2-CD1 4.1Å; W705-Y837 AromaticContact CH2-CD2 3.4Å; W705-Y837 HydrophobicContact CH2-CD2 3.4Å; W705-Y837 AromaticContact CH2-CE1 3.96Å; W705-Y837 HydrophobicContact CH2-CE1 3.96Å; W705-Y837 AromaticContact CH2-CE2 3.24Å; W705-Y837 HydrophobicContact CH2-CE2 3.24Å; W705-Y837 AromaticContact CH2-CG 3.83Å; W705-Y837 HydrophobicContact CH2-CG 3.83Å; W705-Y837 AromaticContact CH2-CZ 3.53Å; W705-Y837 AromaticContact CZ2-CD1 3.97Å; W705-Y837 HydrophobicContact CZ2-CD1 3.97Å; W705-Y837 AromaticContact CZ2-CD2 3.82Å; W705-Y837 HydrophobicContact CZ2-CD2 3.82Å; W705-Y837 HydrophobicContact CZ2-CE1 4.18Å; W705-Y837 HydrophobicContact CZ2-CE2 4.05Å; W705-Y837 AromaticContact CZ2-CG 3.77Å; W705-Y837 HydrophobicContact CZ2-CG 3.77Å; W705-Y837 HydrophobicContact CZ3-CD2 4.04Å; W705-Y837 AromaticContact CZ3-CE2 3.86Å; W705-Y837 HydrophobicContact CZ3-CE2 3.86Å; W705-W859 AromaticContact CD2-CE3 3.67Å; W705-W859 HydrophobicContact CD2-CE3 3.67Å; W705-W859 AromaticContact CD2-CZ3 3.97Å; W705-W859 HydrophobicContact CD2-CZ3 3.97Å; W705-W859 AromaticContact CE2-CE3 3.89Å; W705-W859 AromaticContact CE2-CZ3 3.94Å; W705-W859 HydrophobicContact CE3-CB 4.43Å; W705-W859 AromaticContact CE3-CE3 3.74Å; W705-W859 HydrophobicContact CE3-CE3 3.74Å; W705-W859 HydrophobicContact CE3-CZ3 4.49Å; W705-W859 HydrophobicContact CG-CE3 4.21Å; W705-W859 HydrophobicContact CG-CZ3 4.16Å; W705-W859 HydrophobicContact CH2-CE3 4.28Å; W705-W859 HydrophobicContact CZ2-CE3 4.19Å; W705-W859 HydrophobicContact CZ2-CZ3 4.46Å; W705-W859 HydrophobicContact CZ3-CB 4.12Å; W705-W859 HydrophobicContact CZ3-CE3 4.05Å; W705-M861 HydrophobicContact CE3-CG 4.29Å; W705-M861 HydrophobicContact CH2-CG 4.37Å; W705-M861 HydrophobicContact CZ3-CG 3.81Å |
| 706 | D | 75.9 | Confident | 80.2 | Confident | 44 Ų | 44 | 41.8 Ų | 41.8 | 24% | 0.235 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.4 | 164.7 | -167 | -87.9 | 0 | 0 | 0 | 108.5 | S708 K860 | D706-S708 WeakPolarHBondContact OD1-CA 3.48Å; D706-S708 WeakPolarHBondContact OD1-CB 3.44Å; D706-S708 PolarHBondContact OD1-N 3.42Å; D706-S708 PolarHBondContact OD1-OG 3.39Å; D706-K860 HydrophobicContact CB-CB 3.98Å; D706-K860 PolarHBondContact N-O 3.33Å |
| 707 | D | 77.2 | Confident | 80.5 | Confident | 67 Ų | 67 | 42.3 Ų | 42.3 | 36% | 0.358 | 25% | 0.246 | S | C | . | . | trans | -87.6 | -6.6 | -178.1 | 44.9 | -1.4 | 0 | 0 | 0 | 113.3 | G709 N710 I713 V714 K717 | D707-G709 PolarHBondContact O-N 3.09Å; D707-N710 PolarHBondContact O-N 2.97Å; D707-I713 HydrophobicContact CB-CG2 4.1Å; D707-V714 HydrophobicContact CB-CG2 4.09Å; D707-K717 IonicContact OD2-NZ 3.75Å; D707-K717 PolarHBondContact OD2-NZ 3.25Å | ||
| 708 | S | 72.4 | Confident | 80.8 | Confident | 74 Ų | 74 | 42 Ų | 42 | 52% | 0.517 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 95.5 | -179.8 | -42.9 | 0 | 0 | 0 | 0 | 110.9 | D706 | D706-S708 WeakPolarHBondContact OD1-CA 3.48Å; D706-S708 WeakPolarHBondContact OD1-CB 3.44Å; D706-S708 PolarHBondContact OD1-N 3.42Å; D706-S708 PolarHBondContact OD1-OG 3.39Å |
| 709 | G | 67.2 | Low | 81.2 | Confident | 48 Ų | 48 | 41.9 Ų | 41.9 | 50% | 0.495 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 27.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D707 S858 | D707-G709 PolarHBondContact O-N 3.09Å; G709-S858 PolarHBondContact O-N 2.92Å; G709-S858 PolarHBondContact O-OG 2.91Å |
| 710 | N | 78.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -129 | 90.5 | 170.6 | -166.5 | -34.6 | 0 | 0 | 0 | 111.4 | D707 I712 I713 V714 S858 | D707-N710 PolarHBondContact O-N 2.97Å; N710-I712 PolarHBondContact O-N 3.36Å; N710-I712 WeakPolarHBondContact OD1-CB 3.25Å; N710-I712 PolarHBondContact OD1-N 3.05Å; N710-I713 HydrophobicContact CB-CB 4.21Å; N710-I713 HydrophobicContact CB-CG1 4.14Å; N710-I713 PolarHBondContact O-N 2.94Å; N710-I713 VanDerWaalsContact O-N 3.11Å; N710-I713 PolarHBondContact OD1-N 3.49Å; N710-V714 WeakPolarHBondContact O-CG2 3.43Å; N710-V714 PolarHBondContact O-N 3.32Å; N710-V714 VanDerWaalsContact O-N 3.08Å; N710-S858 WeakPolarHBondContact CB-O 2.98Å; N710-S858 PolarHBondContact ND2-O 2.82Å; N710-S858 VanDerWaalsContact ND2-O 3.13Å | ||
| 711 | D | 76.7 | Confident | 82.3 | Confident | 83 Ų | 83 | 41.8 Ų | 41.8 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -25.3 | -177.4 | -66.9 | -18.9 | 0 | 0 | 0 | 113.1 | V714 L715 L759 V857 | D711-V714 PolarHBondContact O-N 3.49Å; D711-L715 VanDerWaalsContact O-CB 3.24Å; D711-L715 WeakPolarHBondContact O-CB 3.49Å; D711-L715 WeakPolarHBondContact O-CD1 3.48Å; D711-L715 WeakPolarHBondContact O-CG 3.45Å; D711-L715 PolarHBondContact O-N 3.07Å; D711-L759 HydrophobicContact CB-CD1 3.55Å; D711-V857 HydrophobicContact CB-CG1 4.28Å |
| 712 | I | 81.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 174.3 | -72.2 | 176 | 0 | 0 | 0 | 110.8 | N710 A716 L759 I763 V833 V857 W859 | N710-I712 PolarHBondContact O-N 3.36Å; N710-I712 WeakPolarHBondContact OD1-CB 3.25Å; N710-I712 PolarHBondContact OD1-N 3.05Å; I712-A716 VanDerWaalsContact O-CB 3.27Å; I712-A716 WeakPolarHBondContact O-CB 3.4Å; I712-A716 PolarHBondContact O-N 3.15Å; I712-L759 HydrophobicContact CD1-CB 4.17Å; I712-L759 HydrophobicContact CG1-CB 3.95Å; I712-L759 HydrophobicContact CG1-CD1 4.12Å; I712-I763 HydrophobicContact CD1-CD1 3.28Å; I712-V833 HydrophobicContact CG2-CG2 4.02Å; I712-V857 HydrophobicContact CD1-CG1 4.46Å; I712-V857 HydrophobicContact CD1-CG2 4.29Å; I712-V857 HydrophobicContact CG1-CG1 4.21Å; I712-W859 HydrophobicContact CG2-CH2 4.45Å |
| 713 | I | 83.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.3 | -40.2 | 177.1 | -63.6 | -64.6 | 0 | 0 | 0 | 110.8 | V702 W705 D707 N710 A716 K717 V833 W859 | V702-I713 HydrophobicContact CG1-CG2 4.09Å; V702-I713 HydrophobicContact CG2-CD1 4.16Å; W705-I713 HydrophobicContact CB-CD1 3.91Å; W705-I713 HydrophobicContact CB-CG1 3.98Å; W705-I713 HydrophobicContact CG-CD1 3.98Å; W705-I713 HydrophobicContact CG-CG1 4.44Å; D707-I713 HydrophobicContact CB-CG2 4.1Å; N710-I713 HydrophobicContact CB-CB 4.21Å; N710-I713 HydrophobicContact CB-CG1 4.14Å; N710-I713 PolarHBondContact O-N 2.94Å; N710-I713 VanDerWaalsContact O-N 3.11Å; N710-I713 PolarHBondContact OD1-N 3.49Å; I713-A716 PolarHBondContact O-N 2.87Å; I713-K717 WeakPolarHBondContact O-CG 3.49Å; I713-K717 PolarHBondContact O-N 3.07Å; I713-V833 HydrophobicContact CD1-CG1 3.59Å; I713-W859 HydrophobicContact CD1-CH2 4.32Å; I713-W859 HydrophobicContact CD1-CZ3 3.91Å; I713-W859 HydrophobicContact CG1-CZ3 4.21Å |
| 714 | V | 85.6 | Confident | 83.7 | Confident | 62 Ų | 62 | 40.5 Ų | 40.5 | 38% | 0.376 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | D707 N710 D711 A716 K717 Q718 | D707-V714 HydrophobicContact CB-CG2 4.09Å; N710-V714 WeakPolarHBondContact O-CG2 3.43Å; N710-V714 PolarHBondContact O-N 3.32Å; N710-V714 VanDerWaalsContact O-N 3.08Å; D711-V714 PolarHBondContact O-N 3.49Å; V714-A716 PolarHBondContact O-N 2.78Å; V714-K717 PolarHBondContact O-N 2.92Å; V714-Q718 WeakPolarHBondContact O-CB 3.23Å; V714-Q718 PolarHBondContact O-N 2.73Å |
| 715 | L | 84.7 | Confident | 84.3 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -38.6 | 177 | -71.3 | 167.4 | 0 | 0 | 0 | 111.8 | D711 Q718 M719 A752 R755 M756 L759 | D711-L715 VanDerWaalsContact O-CB 3.24Å; D711-L715 WeakPolarHBondContact O-CB 3.49Å; D711-L715 WeakPolarHBondContact O-CD1 3.48Å; D711-L715 WeakPolarHBondContact O-CG 3.45Å; D711-L715 PolarHBondContact O-N 3.07Å; L715-Q718 PolarHBondContact O-N 3.43Å; L715-M719 WeakPolarHBondContact O-CB 3.31Å; L715-M719 VanDerWaalsContact O-CG 3.25Å; L715-M719 WeakPolarHBondContact O-CG 3.46Å; L715-M719 PolarHBondContact O-N 3.25Å; L715-A752 HydrophobicContact CD2-CB 4.03Å; L715-R755 HydrophobicContact CD1-CB 3.88Å; L715-R755 HydrophobicContact CD2-CB 4.2Å; L715-M756 HydrophobicContact CB-CE 3.64Å; L715-M756 HydrophobicContact CD1-CB 4.15Å; L715-L759 HydrophobicContact CD1-CD1 3.75Å |
| 716 | A | 87.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V702 I712 I713 V714 C720 M756 V829 V833 | V702-A716 HydrophobicContact CG2-CB 4.2Å; I712-A716 VanDerWaalsContact O-CB 3.27Å; I712-A716 WeakPolarHBondContact O-CB 3.4Å; I712-A716 PolarHBondContact O-N 3.15Å; I713-A716 PolarHBondContact O-N 2.87Å; V714-A716 PolarHBondContact O-N 2.78Å; A716-C720 VanDerWaalsContact O-CB 3.22Å; A716-C720 WeakPolarHBondContact O-CB 3.11Å; A716-C720 PolarHBondContact O-N 3.43Å; A716-M756 HydrophobicContact CB-CE 3.91Å; A716-M756 VanDerWaalsContact N-CE 3.33Å; A716-V829 HydrophobicContact CB-CG1 3.72Å; A716-V833 HydrophobicContact CB-CG2 3.79Å |
| 717 | K | 88.1 | Confident | 85.3 | Confident | 77 Ų | 77 | 35.8 Ų | 35.8 | 34% | 0.335 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 173 | -72.4 | 179.3 | -174.8 | -177.9 | 0 | 111.8 | V702 D707 I713 V714 C720 M721 | V702-K717 HydrophobicContact CG1-CD 3.99Å; V702-K717 HydrophobicContact CG1-CG 3.59Å; D707-K717 IonicContact OD2-NZ 3.75Å; D707-K717 PolarHBondContact OD2-NZ 3.25Å; I713-K717 WeakPolarHBondContact O-CG 3.49Å; I713-K717 PolarHBondContact O-N 3.07Å; V714-K717 PolarHBondContact O-N 2.92Å; K717-C720 PolarHBondContact O-N 3Å; K717-M721 WeakPolarHBondContact O-CB 3.09Å; K717-M721 PolarHBondContact O-N 3.4Å |
| 718 | Q | 89.3 | Confident | 85.9 | Confident | 80 Ų | 80 | 34.3 Ų | 34.3 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.4 | -49.8 | 178.6 | -176.4 | -177.5 | -4.4 | 0 | 0 | 111.5 | V714 L715 C720 M721 I722 | V714-Q718 WeakPolarHBondContact O-CB 3.23Å; V714-Q718 PolarHBondContact O-N 2.73Å; L715-Q718 PolarHBondContact O-N 3.43Å; Q718-C720 VanDerWaalsContact C-N 3.32Å; Q718-C720 PolarHBondContact O-N 2.95Å; Q718-M721 PolarHBondContact O-N 2.95Å; Q718-I722 HydrophobicContact CG-CD1 3.94Å; Q718-I722 VanDerWaalsContact O-CG1 3.3Å; Q718-I722 WeakPolarHBondContact O-CG1 3.14Å; Q718-I722 PolarHBondContact O-N 2.93Å |
| 719 | M | 90.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.8 | -69.4 | 173.9 | 74.6 | 0 | 0 | 111.1 | L715 I722 M723 I749 A752 M756 I783 L825 V829 | L715-M719 WeakPolarHBondContact O-CB 3.31Å; L715-M719 VanDerWaalsContact O-CG 3.25Å; L715-M719 WeakPolarHBondContact O-CG 3.46Å; L715-M719 PolarHBondContact O-N 3.25Å; M719-I722 PolarHBondContact O-N 3.46Å; M719-M723 HydrophobicContact CB-CE 4.04Å; M719-M723 WeakPolarHBondContact O-CB 3.45Å; M719-M723 WeakPolarHBondContact O-CE 3.43Å; M719-M723 VanDerWaalsContact O-CG 3.3Å; M719-M723 WeakPolarHBondContact O-CG 3.44Å; M719-M723 PolarHBondContact O-N 2.96Å; M719-I749 HydrophobicContact CE-CG2 4.1Å; M719-A752 HydrophobicContact CG-CB 3.55Å; M719-A752 HydrophobicContact SD-CB 4.14Å; M719-M756 HydrophobicContact SD-CE 3.72Å; M719-M756 HydrophobicContact SD-SD 4.28Å; M719-I783 HydrophobicContact CE-CG2 4.32Å; M719-L825 HydrophobicContact CE-CD1 4.04Å; M719-L825 HydrophobicContact CE-CD2 4.16Å; M719-L825 HydrophobicContact CE-CG 4.29Å; M719-V829 HydrophobicContact CE-CG2 3.73Å; M719-V829 HydrophobicContact SD-CG2 4.18Å |
| 720 | C | 91.8 | Very high | 87.4 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 5% | 0.054 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.7 | -45.4 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | L698 A716 K717 Q718 M724 M826 | L698-C720 HydrophobicContact CD2-CB 3.73Å; A716-C720 VanDerWaalsContact O-CB 3.22Å; A716-C720 WeakPolarHBondContact O-CB 3.11Å; A716-C720 PolarHBondContact O-N 3.43Å; K717-C720 PolarHBondContact O-N 3Å; Q718-C720 VanDerWaalsContact C-N 3.32Å; Q718-C720 PolarHBondContact O-N 2.95Å; C720-M724 WeakPolarHBondContact O-CB 3.36Å; C720-M724 WeakPolarHBondContact O-CG 3.09Å; C720-M724 PolarHBondContact O-N 3.47Å; C720-M826 HydrophobicContact CB-CE 4.33Å; C720-M826 HydrophobicContact CB-SD 4.28Å |
| 721 | M | 92.8 | Very high | 87.6 | Confident | 116 Ų | 116 | 34.3 Ų | 34.3 | 57% | 0.571 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -62.3 | -47.6 | 178.9 | -177.9 | 175.6 | 175.8 | 0 | 0 | 111.1 | K717 Q718 M724 E725 | K717-M721 WeakPolarHBondContact O-CB 3.09Å; K717-M721 PolarHBondContact O-N 3.4Å; Q718-M721 PolarHBondContact O-N 2.95Å; M721-M724 WeakPolarHBondContact O-CB 3.41Å; M721-M724 PolarHBondContact O-N 3.08Å; M721-E725 WeakPolarHBondContact CE-OE1 3.3Å; M721-E725 WeakPolarHBondContact O-CG 3.49Å; M721-E725 PolarHBondContact O-N 3.32Å |
| 722 | I | 90.4 | Very high | 87.9 | Confident | 15 Ų | 15 | 30.9 Ų | 30.9 | 8% | 0.077 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.9 | -39.7 | -178.4 | -55.1 | 161.4 | 0 | 0 | 0 | 110.9 | Q718 M719 M724 E725 M726 A745 K748 I749 | Q718-I722 HydrophobicContact CG-CD1 3.94Å; Q718-I722 VanDerWaalsContact O-CG1 3.3Å; Q718-I722 WeakPolarHBondContact O-CG1 3.14Å; Q718-I722 PolarHBondContact O-N 2.93Å; M719-I722 PolarHBondContact O-N 3.46Å; I722-M724 VanDerWaalsContact C-N 3.3Å; I722-M724 PolarHBondContact O-N 3.31Å; I722-E725 PolarHBondContact O-N 3.01Å; I722-M726 HydrophobicContact CG2-SD 4.41Å; I722-M726 WeakPolarHBondContact O-CG 3.42Å; I722-M726 PolarHBondContact O-N 3.25Å; I722-A745 HydrophobicContact CG2-CB 3.65Å; I722-K748 HydrophobicContact CD1-CB 3.97Å; I722-I749 HydrophobicContact CB-CD1 3.95Å; I722-I749 HydrophobicContact CB-CG1 3.7Å; I722-I749 HydrophobicContact CD1-CG1 4.28Å; I722-I749 HydrophobicContact CG2-CD1 3.65Å; I722-I749 HydrophobicContact CG2-CG1 3.58Å |
| 723 | M | 92.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 173.5 | -76.4 | -174.1 | -77.6 | 0 | 0 | 111.5 | F691 M719 M726 T727 I749 A822 L825 M826 | F691-M723 HydrophobicContact CE2-CB 4.18Å; F691-M723 HydrophobicContact CZ-CB 4.01Å; M719-M723 HydrophobicContact CB-CE 4.04Å; M719-M723 WeakPolarHBondContact O-CB 3.45Å; M719-M723 WeakPolarHBondContact O-CE 3.43Å; M719-M723 VanDerWaalsContact O-CG 3.3Å; M719-M723 WeakPolarHBondContact O-CG 3.44Å; M719-M723 PolarHBondContact O-N 2.96Å; M723-M726 PolarHBondContact O-N 3.32Å; M723-T727 WeakPolarHBondContact O-CG2 3.37Å; M723-T727 PolarHBondContact O-N 3.34Å; M723-T727 PolarHBondContact O-OG1 3.34Å; M723-I749 HydrophobicContact CB-CD1 4.46Å; M723-I749 HydrophobicContact CG-CD1 3.6Å; M723-A822 HydrophobicContact CB-CB 4.44Å; M723-A822 HydrophobicContact CG-CB 4.3Å; M723-A822 HydrophobicContact SD-CB 4.33Å; M723-A822 VanDerWaalsContact SD-O 3.33Å; M723-L825 HydrophobicContact CE-CG 4.29Å; M723-L825 HydrophobicContact SD-CB 3.85Å; M723-L825 HydrophobicContact SD-CD2 3.73Å; M723-L825 HydrophobicContact SD-CG 3.76Å; M723-M826 HydrophobicContact CB-CE 4.05Å; M723-M826 HydrophobicContact CE-CB 4.41Å; M723-M826 HydrophobicContact CE-CE 3.64Å; M723-M826 HydrophobicContact CE-SD 3.81Å; M723-M826 HydrophobicContact SD-CB 4.48Å; M723-M826 HydrophobicContact SD-CE 4.14Å |
| 724 | M | 92.2 | Very high | 87.9 | Confident | 57 Ų | 57 | 38 Ų | 38 | 28% | 0.281 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 172.9 | -84.4 | -178.7 | 37.5 | 0 | 0 | 112.1 | F691 K695 C720 M721 I722 M726 T727 D728 | F691-M724 HydrophobicContact CE1-CG 4.2Å; F691-M724 HydrophobicContact CZ-CG 4.46Å; K695-M724 HydrophobicContact CD-SD 4.41Å; K695-M724 VanDerWaalsContact CE-SD 3.53Å; K695-M724 HydrophobicContact CG-SD 4.41Å; C720-M724 WeakPolarHBondContact O-CB 3.36Å; C720-M724 WeakPolarHBondContact O-CG 3.09Å; C720-M724 PolarHBondContact O-N 3.47Å; M721-M724 WeakPolarHBondContact O-CB 3.41Å; M721-M724 PolarHBondContact O-N 3.08Å; I722-M724 VanDerWaalsContact C-N 3.3Å; I722-M724 PolarHBondContact O-N 3.31Å; M724-M726 PolarHBondContact O-N 3.35Å; M724-T727 WeakPolarHBondContact CA-OG1 3.09Å; M724-T727 CarbonylContact O-C 3.55Å; M724-T727 PolarHBondContact O-N 3.31Å; M724-T727 VanDerWaalsContact O-N 3.13Å; M724-T727 PolarHBondContact O-OG1 2.96Å; M724-D728 WeakPolarHBondContact O-CB 3.31Å; M724-D728 PolarHBondContact O-N 3.38Å |
| 725 | E | 92.1 | Very high | 88 | Confident | 48 Ų | 48 | 38.6 Ų | 38.6 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59 | -37.2 | 177.9 | -68.6 | 176.5 | 176.9 | 0 | 0 | 112 | M721 I722 D728 F729 P735 L736 | M721-E725 WeakPolarHBondContact CE-OE1 3.3Å; M721-E725 WeakPolarHBondContact O-CG 3.49Å; M721-E725 PolarHBondContact O-N 3.32Å; I722-E725 PolarHBondContact O-N 3.01Å; E725-D728 PolarHBondContact O-N 3.39Å; E725-F729 WeakPolarHBondContact O-CB 2.99Å; E725-F729 PolarHBondContact O-N 3.15Å; E725-P735 HydrophobicContact CB-CG 4.03Å; E725-P735 HydrophobicContact CG-CG 3.57Å; E725-L736 HydrophobicContact CB-CD1 4.24Å; E725-L736 HydrophobicContact CB-CG 4.24Å |
| 726 | M | 89.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.3 | -40.7 | 174.6 | -66.7 | 176.6 | 74.4 | 0 | 0 | 112.4 | I722 M723 M724 F729 T730 L736 V742 A745 A746 I749 L790 L818 | I722-M726 HydrophobicContact CG2-SD 4.41Å; I722-M726 WeakPolarHBondContact O-CG 3.42Å; I722-M726 PolarHBondContact O-N 3.25Å; M723-M726 PolarHBondContact O-N 3.32Å; M724-M726 PolarHBondContact O-N 3.35Å; M726-F729 WeakPolarHBondContact O-CB 3.46Å; M726-F729 PolarHBondContact O-N 3.07Å; M726-T730 PolarHBondContact O-N 2.98Å; M726-L736 HydrophobicContact CB-CD1 4.49Å; M726-L736 HydrophobicContact CG-CD1 3.87Å; M726-V742 HydrophobicContact CE-CG1 3.91Å; M726-A745 HydrophobicContact CG-CB 3.71Å; M726-A745 HydrophobicContact SD-CB 3.73Å; M726-A746 HydrophobicContact CE-CB 3.9Å; M726-I749 HydrophobicContact SD-CD1 3.41Å; M726-I749 WeakPolarHBondContact SD-CD1 3.49Å; M726-L790 HydrophobicContact CE-CD1 4.16Å; M726-L790 HydrophobicContact CE-CD2 4.14Å; M726-L790 HydrophobicContact CE-CG 3.97Å; M726-L790 HydrophobicContact SD-CD2 4.12Å; M726-L818 HydrophobicContact CB-CD2 4.3Å; M726-L818 HydrophobicContact CE-CD1 3.64Å; M726-L818 HydrophobicContact CE-CD2 4.14Å; M726-L818 HydrophobicContact CE-CG 4.11Å |
| 727 | T | 87.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.8 | -22.8 | 174.4 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | F691 M723 M724 T730 R731 I819 A822 | F691-T727 HydrophobicContact CD1-CG2 3.91Å; F691-T727 HydrophobicContact CD2-CG2 4.08Å; F691-T727 HydrophobicContact CE1-CG2 3.85Å; F691-T727 HydrophobicContact CE2-CG2 4.04Å; F691-T727 HydrophobicContact CG-CG2 4.02Å; F691-T727 HydrophobicContact CZ-CG2 3.91Å; M723-T727 WeakPolarHBondContact O-CG2 3.37Å; M723-T727 PolarHBondContact O-N 3.34Å; M723-T727 PolarHBondContact O-OG1 3.34Å; M724-T727 WeakPolarHBondContact CA-OG1 3.09Å; M724-T727 CarbonylContact O-C 3.55Å; M724-T727 PolarHBondContact O-N 3.31Å; M724-T727 VanDerWaalsContact O-N 3.13Å; M724-T727 PolarHBondContact O-OG1 2.96Å; T727-T730 PolarHBondContact O-OG1 3.05Å; T727-R731 WeakPolarHBondContact O-CD 3.15Å; T727-R731 WeakPolarHBondContact O-CG 3.4Å; T727-I819 HydrophobicContact CG2-CG1 4.19Å; T727-I819 HydrophobicContact CG2-CG2 4.45Å; T727-A822 HydrophobicContact CG2-CB 4.32Å |
| 728 | D | 89.1 | Confident | 87.6 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -80 | -32.7 | 173 | -83.4 | -27.1 | 0 | 0 | 0 | 111.1 | M724 E725 T730 R731 G732 K733 | M724-D728 WeakPolarHBondContact O-CB 3.31Å; M724-D728 PolarHBondContact O-N 3.38Å; E725-D728 PolarHBondContact O-N 3.39Å; D728-T730 VanDerWaalsContact C-N 3.29Å; D728-T730 PolarHBondContact O-N 3.42Å; D728-R731 WeakPolarHBondContact O-CB 3.39Å; D728-R731 PolarHBondContact O-N 2.77Å; D728-R731 IonicContact OD1-NH1 2.63Å; D728-R731 PolarHBondContact OD1-NH1 3.35Å; D728-G732 PolarHBondContact O-N 3.47Å; D728-K733 CarbonylContact C-O 3.17Å; D728-K733 CarbonylContact O-C 3.32Å; D728-K733 VanDerWaalsContact O-C 3.32Å; D728-K733 WeakPolarHBondContact O-CA 3.36Å; D728-K733 PolarHBondContact O-N 3.4Å |
| 729 | F | 88.3 | Confident | 86.9 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56 | -43.7 | 171 | 171.9 | -93.6 | 0 | 0 | 0 | 111.7 | A669 R670 M673 E725 M726 R731 G732 K733 L736 V742 | A669-F729 HydrophobicContact CB-CE2 4.31Å; A669-F729 HydrophobicContact CB-CZ 3.96Å; R670-F729 HydrophobicContact CB-CD2 3.95Å; R670-F729 HydrophobicContact CB-CE2 3.86Å; R670-F729 HydrophobicContact CG-CD2 4.29Å; M673-F729 HydrophobicContact CG-CE1 4.26Å; M673-F729 HydrophobicContact CG-CZ 4.4Å; E725-F729 WeakPolarHBondContact O-CB 2.99Å; E725-F729 PolarHBondContact O-N 3.15Å; M726-F729 WeakPolarHBondContact O-CB 3.46Å; M726-F729 PolarHBondContact O-N 3.07Å; F729-R731 PolarHBondContact O-N 3.2Å; F729-G732 PolarHBondContact O-N 3.36Å; F729-K733 WeakPolarHBondContact CA-O 3.36Å; F729-K733 PolarHBondContact N-O 3.01Å; F729-L736 HydrophobicContact CB-CB 4.19Å; F729-L736 HydrophobicContact CB-CD1 4.21Å; F729-L736 HydrophobicContact CD2-CB 3.86Å; F729-L736 WeakPolarHBondContact CD2-O 3.34Å; F729-L736 HydrophobicContact CG-CB 4.32Å; F729-V742 HydrophobicContact CD1-CG2 3.6Å; F729-V742 HydrophobicContact CD2-CG2 3.92Å; F729-V742 HydrophobicContact CE1-CG2 3.58Å; F729-V742 HydrophobicContact CE2-CG2 3.88Å; F729-V742 HydrophobicContact CG-CG2 3.78Å; F729-V742 HydrophobicContact CZ-CG2 3.72Å |
| 730 | T | 82.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.2 | 177.8 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | M673 M726 T727 D728 G732 A815 L818 I819 | M673-T730 WeakPolarHBondContact CE-O 3.39Å; M726-T730 PolarHBondContact O-N 2.98Å; T727-T730 PolarHBondContact O-OG1 3.05Å; D728-T730 VanDerWaalsContact C-N 3.29Å; D728-T730 PolarHBondContact O-N 3.42Å; T730-G732 VanDerWaalsContact C-N 3.32Å; T730-A815 HydrophobicContact CG2-CB 3.4Å; T730-A815 VanDerWaalsContact CG2-CB 3.4Å; T730-L818 HydrophobicContact CG2-CD2 4.05Å; T730-I819 HydrophobicContact CG2-CD1 4.35Å; T730-I819 HydrophobicContact CG2-CG1 4.3Å |
| 731 | R | 82.7 | Confident | 85.8 | Confident | 103 Ų | 103 | 47.2 Ų | 47.2 | 39% | 0.389 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.3 | 173.7 | -58.5 | 166.5 | 72.1 | -161.8 | 6.6 | 112.9 | I684 V688 T727 D728 F729 K733 | I684-R731 HydrophobicContact CG2-CG 4.1Å; V688-R731 HydrophobicContact CG2-CG 4.16Å; T727-R731 WeakPolarHBondContact O-CD 3.15Å; T727-R731 WeakPolarHBondContact O-CG 3.4Å; D728-R731 WeakPolarHBondContact O-CB 3.39Å; D728-R731 PolarHBondContact O-N 2.77Å; D728-R731 IonicContact OD1-NH1 2.63Å; D728-R731 PolarHBondContact OD1-NH1 3.35Å; F729-R731 PolarHBondContact O-N 3.2Å; R731-K733 VanDerWaalsContact C-N 3.25Å; R731-K733 PolarHBondContact O-N 3.04Å |
| 732 | G | 82.7 | Confident | 85.3 | Confident | 11 Ų | 11 | 42 Ų | 42 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 21.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | R670 D728 F729 T730 | R670-G732 WeakPolarHBondContact O-CA 3.41Å; D728-G732 PolarHBondContact O-N 3.47Å; F729-G732 PolarHBondContact O-N 3.36Å; T730-G732 VanDerWaalsContact C-N 3.32Å |
| 733 | K | 82.6 | Confident | 84.7 | Confident | 122 Ų | 122 | 43.3 Ų | 43.3 | 53% | 0.53 | 23% | 0.229 | S | C | . | . | trans | -123.3 | -176.6 | -178.8 | -64.4 | -178.6 | -175.7 | 179.3 | 0 | 109.6 | D728 F729 R731 | D728-K733 CarbonylContact C-O 3.17Å; D728-K733 CarbonylContact O-C 3.32Å; D728-K733 VanDerWaalsContact O-C 3.32Å; D728-K733 WeakPolarHBondContact O-CA 3.36Å; D728-K733 PolarHBondContact O-N 3.4Å; F729-K733 WeakPolarHBondContact CA-O 3.36Å; F729-K733 PolarHBondContact N-O 3.01Å; R731-K733 VanDerWaalsContact C-N 3.25Å; R731-K733 PolarHBondContact O-N 3.04Å | ||
| 734 | G | 84.1 | Confident | 84.3 | Confident | 27 Ų | 27 | 45.9 Ų | 45.9 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 79.1 | -177.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R670 | R670-G734 WeakPolarHBondContact CD-O 3.34Å; R670-G734 PolarHBondContact NH1-O 3.16Å |
| 735 | P | 86.2 | Confident | 84 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -87.4 | -21.3 | -166.7 | 32.3 | -34.1 | 0 | 0 | 0 | 114.7 | E725 | E725-P735 HydrophobicContact CB-CG 4.03Å; E725-P735 HydrophobicContact CG-CG 3.57Å |
| 736 | L | 87.3 | Confident | 83.6 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | trans | -73.3 | 127.4 | -179.9 | -51.4 | 179.6 | 0 | 0 | 0 | 109.4 | R670 E725 M726 F729 D741 V742 A745 | R670-L736 WeakPolarHBondContact CB-O 3.24Å; R670-L736 VanDerWaalsContact CD-O 3.24Å; R670-L736 WeakPolarHBondContact CD-O 3.3Å; E725-L736 HydrophobicContact CB-CD1 4.24Å; E725-L736 HydrophobicContact CB-CG 4.24Å; M726-L736 HydrophobicContact CB-CD1 4.49Å; M726-L736 HydrophobicContact CG-CD1 3.87Å; F729-L736 HydrophobicContact CB-CB 4.19Å; F729-L736 HydrophobicContact CB-CD1 4.21Å; F729-L736 HydrophobicContact CD2-CB 3.86Å; F729-L736 WeakPolarHBondContact CD2-O 3.34Å; F729-L736 HydrophobicContact CG-CB 4.32Å; L736-D741 HydrophobicContact CB-CB 4.05Å; L736-D741 HydrophobicContact CD2-CB 3.98Å; L736-V742 HydrophobicContact CD1-CG2 4.22Å; L736-A745 HydrophobicContact CD1-CB 4.06Å; L736-A745 HydrophobicContact CD2-CB 4.35Å | ||
| 737 | K | 82.3 | Confident | 83.1 | Confident | 120 Ų | 120 | 47 Ų | 47 | 52% | 0.522 | 25% | 0.25 | S | C | . | . | trans | -101.5 | -39.9 | -174 | -65.1 | -176.1 | -179.5 | 180 | 0 | 112.3 | A669 R670 D741 | A669-K737 PolarHBondContact N-O 2.76Å; R670-K737 WeakPolarHBondContact CB-O 3.44Å; R670-K737 PolarHBondContact N-O 3.15Å; K737-D741 WeakPolarHBondContact CA-OD2 3.49Å; K737-D741 PolarHBondContact N-OD2 3.2Å | ||
| 738 | N | 82.6 | Confident | 83 | Confident | 65 Ų | 65 | 52.3 Ų | 52.3 | 35% | 0.348 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -130.4 | 164.6 | -173.4 | -62.3 | -42.5 | 0 | 0 | 0 | 112 | S668 A669 S740 D741 V742 | S668-N738 WeakPolarHBondContact CA-OD1 3.36Å; S668-N738 WeakPolarHBondContact CB-OD1 3.04Å; A669-N738 PolarHBondContact N-OD1 3.42Å; N738-S740 PolarHBondContact O-N 2.95Å; N738-S740 VanDerWaalsContact O-N 3.15Å; N738-D741 PolarHBondContact N-OD2 3.04Å; N738-D741 WeakPolarHBondContact O-CA 3.2Å; N738-D741 VanDerWaalsContact O-CB 3.3Å; N738-D741 WeakPolarHBondContact O-CB 3.48Å; N738-D741 PolarHBondContact O-N 3.35Å; N738-V742 PolarHBondContact O-N 2.62Å |
| 739 | T | 74.9 | Confident | 82.9 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 20% | 0.202 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.9 | -31.4 | 176.3 | -43.4 | 0 | 0 | 0 | 0 | 112.5 | D741 V742 I743 K797 | T739-D741 VanDerWaalsContact C-N 3.25Å; T739-D741 PolarHBondContact O-N 2.94Å; T739-V742 PolarHBondContact O-N 3.42Å; T739-I743 HydrophobicContact CG2-CD1 4.25Å; T739-I743 VanDerWaalsContact O-CG1 3.3Å; T739-I743 WeakPolarHBondContact O-CG1 3.34Å; T739-I743 PolarHBondContact O-N 2.7Å; T739-K797 HydrophobicContact CG2-CG 4.48Å |
| 740 | S | 76.1 | Confident | 82.3 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.9 | -37 | 172.1 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | N738 S744 | N738-S740 PolarHBondContact O-N 2.95Å; N738-S740 VanDerWaalsContact O-N 3.15Å; S740-S744 WeakPolarHBondContact O-CB 3.18Å; S740-S744 PolarHBondContact O-N 2.82Å |
| 741 | D | 84.1 | Confident | 82.1 | Confident | 54 Ų | 54 | 55.7 Ų | 55.7 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -73.7 | -36 | 179.1 | -53.2 | -27.6 | 0 | 0 | 0 | 110.4 | L736 K737 N738 T739 S744 A745 | L736-D741 HydrophobicContact CB-CB 4.05Å; L736-D741 HydrophobicContact CD2-CB 3.98Å; K737-D741 WeakPolarHBondContact CA-OD2 3.49Å; K737-D741 PolarHBondContact N-OD2 3.2Å; N738-D741 PolarHBondContact N-OD2 3.04Å; N738-D741 WeakPolarHBondContact O-CA 3.2Å; N738-D741 VanDerWaalsContact O-CB 3.3Å; N738-D741 WeakPolarHBondContact O-CB 3.48Å; N738-D741 PolarHBondContact O-N 3.35Å; T739-D741 VanDerWaalsContact C-N 3.25Å; T739-D741 PolarHBondContact O-N 2.94Å; D741-S744 WeakPolarHBondContact O-CB 3.31Å; D741-S744 PolarHBondContact O-N 3.41Å; D741-A745 WeakPolarHBondContact O-CB 3.21Å; D741-A745 PolarHBondContact O-N 2.81Å |
| 742 | V | 82.3 | Confident | 82 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | M726 F729 L736 N738 T739 S744 A745 A746 L818 | M726-V742 HydrophobicContact CE-CG1 3.91Å; F729-V742 HydrophobicContact CD1-CG2 3.6Å; F729-V742 HydrophobicContact CD2-CG2 3.92Å; F729-V742 HydrophobicContact CE1-CG2 3.58Å; F729-V742 HydrophobicContact CE2-CG2 3.88Å; F729-V742 HydrophobicContact CG-CG2 3.78Å; F729-V742 HydrophobicContact CZ-CG2 3.72Å; L736-V742 HydrophobicContact CD1-CG2 4.22Å; N738-V742 PolarHBondContact O-N 2.62Å; T739-V742 PolarHBondContact O-N 3.42Å; V742-S744 VanDerWaalsContact C-N 3.32Å; V742-S744 PolarHBondContact O-N 3.4Å; V742-A745 WeakPolarHBondContact O-CB 3.3Å; V742-A745 PolarHBondContact O-N 3.24Å; V742-A746 PolarHBondContact O-N 3Å; V742-L818 HydrophobicContact CG1-CD2 4.1Å |
| 743 | I | 77 | Confident | 81.9 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 173.6 | -65.3 | 164.1 | 0 | 0 | 0 | 110.4 | T739 A746 K747 S794 | T739-I743 HydrophobicContact CG2-CD1 4.25Å; T739-I743 VanDerWaalsContact O-CG1 3.3Å; T739-I743 WeakPolarHBondContact O-CG1 3.34Å; T739-I743 PolarHBondContact O-N 2.7Å; I743-A746 PolarHBondContact O-N 3.13Å; I743-K747 HydrophobicContact CG2-CD 4.43Å; I743-K747 WeakPolarHBondContact O-CG 3.3Å; I743-K747 PolarHBondContact O-N 2.86Å; I743-S794 WeakPolarHBondContact CG1-O 3.48Å |
| 744 | S | 83.4 | Confident | 81.4 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 37% | 0.371 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.4 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | S740 D741 V742 K747 K748 | S740-S744 WeakPolarHBondContact O-CB 3.18Å; S740-S744 PolarHBondContact O-N 2.82Å; D741-S744 WeakPolarHBondContact O-CB 3.31Å; D741-S744 PolarHBondContact O-N 3.41Å; V742-S744 VanDerWaalsContact C-N 3.32Å; V742-S744 PolarHBondContact O-N 3.4Å; S744-K747 PolarHBondContact O-N 3.3Å; S744-K748 WeakPolarHBondContact O-CG 3.19Å; S744-K748 PolarHBondContact O-N 2.93Å |
| 745 | A | 87.6 | Confident | 80.9 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.033 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I722 M726 L736 D741 V742 K747 K748 I749 | I722-A745 HydrophobicContact CG2-CB 3.65Å; M726-A745 HydrophobicContact CG-CB 3.71Å; M726-A745 HydrophobicContact SD-CB 3.73Å; L736-A745 HydrophobicContact CD1-CB 4.06Å; L736-A745 HydrophobicContact CD2-CB 4.35Å; D741-A745 WeakPolarHBondContact O-CB 3.21Å; D741-A745 PolarHBondContact O-N 2.81Å; V742-A745 WeakPolarHBondContact O-CB 3.3Å; V742-A745 PolarHBondContact O-N 3.24Å; A745-K747 PolarHBondContact O-N 3.35Å; A745-K748 PolarHBondContact O-N 3.25Å; A745-I749 WeakPolarHBondContact O-CG1 3.35Å; A745-I749 PolarHBondContact O-N 3.09Å |
| 746 | A | 82.6 | Confident | 80.8 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M726 V742 I743 K748 I749 A750 N791 S794 | M726-A746 HydrophobicContact CE-CB 3.9Å; V742-A746 PolarHBondContact O-N 3Å; I743-A746 PolarHBondContact O-N 3.13Å; A746-K748 PolarHBondContact O-N 2.9Å; A746-I749 PolarHBondContact O-N 3.14Å; A746-A750 WeakPolarHBondContact O-CB 3.33Å; A746-A750 PolarHBondContact O-N 2.93Å; A746-N791 VanDerWaalsContact C-OD1 3.27Å; A746-N791 WeakPolarHBondContact CB-OD1 3.35Å; A746-N791 PolarHBondContact O-OD1 2.9Å; A746-S794 VanDerWaalsContact CB-CB 3.48Å; A746-S794 VanDerWaalsContact CB-OG 3.25Å; A746-S794 WeakPolarHBondContact CB-OG 3.32Å |
| 747 | K | 78.2 | Confident | 79.9 | Confident | 126 Ų | 126 | 48.8 Ų | 48.8 | 55% | 0.548 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 173.4 | -74.8 | 179.4 | 179.5 | -176.4 | 0 | 112.3 | I743 S744 A745 I749 A750 E751 N791 | I743-K747 HydrophobicContact CG2-CD 4.43Å; I743-K747 WeakPolarHBondContact O-CG 3.3Å; I743-K747 PolarHBondContact O-N 2.86Å; S744-K747 PolarHBondContact O-N 3.3Å; A745-K747 PolarHBondContact O-N 3.35Å; K747-I749 VanDerWaalsContact C-N 3.35Å; K747-A750 PolarHBondContact O-N 3.22Å; K747-E751 PolarHBondContact O-N 3.13Å; K747-N791 PolarHBondContact N-OD1 3.45Å |
| 748 | K | 86.1 | Confident | 79.4 | Confident | 112 Ų | 112 | 50.1 Ų | 50.1 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 176 | -73.7 | 175.2 | -176.8 | 176.9 | 0 | 112.1 | I722 S744 A745 A746 A752 | I722-K748 HydrophobicContact CD1-CB 3.97Å; S744-K748 WeakPolarHBondContact O-CG 3.19Å; S744-K748 PolarHBondContact O-N 2.93Å; A745-K748 PolarHBondContact O-N 3.25Å; A746-K748 PolarHBondContact O-N 2.9Å; K748-A752 WeakPolarHBondContact O-CB 3.48Å; K748-A752 PolarHBondContact O-N 3.41Å |
| 749 | I | 88.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | 173.8 | -72 | 168.7 | 0 | 0 | 0 | 110.6 | M719 I722 M723 M726 A745 A746 K747 E751 A752 G753 L790 L825 | M719-I749 HydrophobicContact CE-CG2 4.1Å; I722-I749 HydrophobicContact CB-CD1 3.95Å; I722-I749 HydrophobicContact CB-CG1 3.7Å; I722-I749 HydrophobicContact CD1-CG1 4.28Å; I722-I749 HydrophobicContact CG2-CD1 3.65Å; I722-I749 HydrophobicContact CG2-CG1 3.58Å; M723-I749 HydrophobicContact CB-CD1 4.46Å; M723-I749 HydrophobicContact CG-CD1 3.6Å; M726-I749 HydrophobicContact SD-CD1 3.41Å; M726-I749 WeakPolarHBondContact SD-CD1 3.49Å; A745-I749 WeakPolarHBondContact O-CG1 3.35Å; A745-I749 PolarHBondContact O-N 3.09Å; A746-I749 PolarHBondContact O-N 3.14Å; K747-I749 VanDerWaalsContact C-N 3.35Å; I749-E751 VanDerWaalsContact C-N 3.33Å; I749-E751 PolarHBondContact O-N 3.15Å; I749-A752 PolarHBondContact O-N 2.9Å; I749-G753 PolarHBondContact O-N 3.49Å; I749-L790 HydrophobicContact CB-CD2 4.39Å; I749-L790 HydrophobicContact CD1-CD2 3.55Å; I749-L790 HydrophobicContact CG2-CD2 4.01Å; I749-L825 HydrophobicContact CG2-CD2 3.43Å; I749-L825 VanDerWaalsContact CG2-CD2 3.43Å |
| 750 | A | 74.8 | Confident | 79 | Confident | 24 Ų | 24 | 47 Ų | 47 | 20% | 0.198 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -38.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A746 K747 G753 S754 C787 N791 | A746-A750 WeakPolarHBondContact O-CB 3.33Å; A746-A750 PolarHBondContact O-N 2.93Å; K747-A750 PolarHBondContact O-N 3.22Å; A750-G753 PolarHBondContact O-N 2.99Å; A750-S754 WeakPolarHBondContact O-CB 3.32Å; A750-S754 PolarHBondContact O-N 3.49Å; A750-C787 HydrophobicContact CB-CB 4.44Å; A750-N791 VanDerWaalsContact CB-ND2 3.27Å; A750-N791 WeakPolarHBondContact CB-ND2 3.3Å |
| 751 | E | 77.6 | Confident | 78.9 | Confident | 103 Ų | 103 | 46.2 Ų | 46.2 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 173.4 | -169.3 | -177.1 | 173.2 | 0 | 0 | 111.5 | K747 I749 S754 R755 | K747-E751 PolarHBondContact O-N 3.13Å; I749-E751 VanDerWaalsContact C-N 3.33Å; I749-E751 PolarHBondContact O-N 3.15Å; E751-S754 PolarHBondContact O-N 2.83Å; E751-R755 WeakPolarHBondContact O-CG 3.36Å; E751-R755 PolarHBondContact O-N 3.2Å; E751-R755 IonicContact OE1-CZ 3.13Å; E751-R755 IonicContact OE1-NE 3.33Å; E751-R755 IonicContact OE1-NH2 3.58Å; E751-R755 PolarHBondContact OE1-NH2 2.83Å |
| 752 | A | 81.4 | Confident | 78.3 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L715 M719 K748 I749 R755 M756 | L715-A752 HydrophobicContact CD2-CB 4.03Å; M719-A752 HydrophobicContact CG-CB 3.55Å; M719-A752 HydrophobicContact SD-CB 4.14Å; K748-A752 WeakPolarHBondContact O-CB 3.48Å; K748-A752 PolarHBondContact O-N 3.41Å; I749-A752 PolarHBondContact O-N 2.9Å; A752-R755 PolarHBondContact O-N 3.15Å; A752-M756 WeakPolarHBondContact O-CB 3.38Å; A752-M756 PolarHBondContact O-N 3.36Å |
| 753 | G | 79.6 | Confident | 77.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I749 A750 M756 D757 | I749-G753 PolarHBondContact O-N 3.49Å; A750-G753 PolarHBondContact O-N 2.99Å; G753-M756 PolarHBondContact O-N 3.26Å; G753-D757 WeakPolarHBondContact O-CB 3.49Å; G753-D757 PolarHBondContact O-N 2.79Å |
| 754 | S | 72.6 | Confident | 77.7 | Confident | 51 Ų | 51 | 45 Ų | 45 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 174 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | A750 E751 D757 R758 | A750-S754 WeakPolarHBondContact O-CB 3.32Å; A750-S754 PolarHBondContact O-N 3.49Å; E751-S754 PolarHBondContact O-N 2.83Å; S754-D757 PolarHBondContact O-N 3.13Å; S754-R758 WeakPolarHBondContact O-CG 3.24Å; S754-R758 PolarHBondContact O-N 2.88Å |
| 755 | R | 74.9 | Confident | 77 | Confident | 126 Ų | 126 | 47.5 Ų | 47.5 | 48% | 0.475 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 173.1 | -68 | 176.8 | -170.7 | -164 | 3.8 | 111.6 | L715 E751 A752 R758 L759 | L715-R755 HydrophobicContact CD1-CB 3.88Å; L715-R755 HydrophobicContact CD2-CB 4.2Å; E751-R755 WeakPolarHBondContact O-CG 3.36Å; E751-R755 PolarHBondContact O-N 3.2Å; E751-R755 IonicContact OE1-CZ 3.13Å; E751-R755 IonicContact OE1-NE 3.33Å; E751-R755 IonicContact OE1-NH2 3.58Å; E751-R755 PolarHBondContact OE1-NH2 2.83Å; A752-R755 PolarHBondContact O-N 3.15Å; R755-R758 PolarHBondContact O-N 3.25Å; R755-L759 PolarHBondContact O-N 2.71Å; R755-L759 VanDerWaalsContact O-N 3.12Å |
| 756 | M | 82.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 176.1 | -172.4 | 177.7 | -68.9 | 0 | 0 | 111.6 | L715 A716 M719 A752 G753 L759 G760 I783 V829 T832 | L715-M756 HydrophobicContact CB-CE 3.64Å; L715-M756 HydrophobicContact CD1-CB 4.15Å; A716-M756 HydrophobicContact CB-CE 3.91Å; A716-M756 VanDerWaalsContact N-CE 3.33Å; M719-M756 HydrophobicContact SD-CE 3.72Å; M719-M756 HydrophobicContact SD-SD 4.28Å; A752-M756 WeakPolarHBondContact O-CB 3.38Å; A752-M756 PolarHBondContact O-N 3.36Å; G753-M756 PolarHBondContact O-N 3.26Å; M756-L759 PolarHBondContact O-N 3.26Å; M756-G760 PolarHBondContact O-N 3.47Å; M756-I783 HydrophobicContact CG-CD1 4.49Å; M756-I783 HydrophobicContact SD-CD1 3.67Å; M756-V829 HydrophobicContact CE-CG1 4.14Å; M756-V829 HydrophobicContact SD-CG1 4.3Å; M756-V829 HydrophobicContact SD-CG2 4.45Å; M756-T832 HydrophobicContact CG-CG2 4.37Å; M756-T832 HydrophobicContact SD-CG2 4.15Å |
| 757 | D | 69.8 | Low | 75.6 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 173.2 | 175.9 | 90.7 | 0 | 0 | 0 | 112 | G753 S754 L759 G760 R761 | G753-D757 WeakPolarHBondContact O-CB 3.49Å; G753-D757 PolarHBondContact O-N 2.79Å; S754-D757 PolarHBondContact O-N 3.13Å; D757-L759 PolarHBondContact O-N 3.14Å; D757-G760 PolarHBondContact O-N 3.13Å; D757-R761 VanDerWaalsContact CG-NE 3.26Å; D757-R761 WeakPolarHBondContact O-CB 3.46Å; D757-R761 VanDerWaalsContact O-CG 3.31Å; D757-R761 WeakPolarHBondContact O-CG 3.27Å; D757-R761 PolarHBondContact O-N 3.27Å; D757-R761 IonicContact OD1-CZ 2.7Å; D757-R761 IonicContact OD1-NE 2.67Å; D757-R761 PolarHBondContact OD1-NE 3.32Å; D757-R761 IonicContact OD1-NH2 2.9Å; D757-R761 PolarHBondContact OD1-NH2 3.45Å; D757-R761 WeakPolarHBondContact OD2-CD 3.35Å; D757-R761 IonicContact OD2-CZ 3.1Å; D757-R761 IonicContact OD2-NE 3.76Å; D757-R761 PolarHBondContact OD2-NE 3.45Å; D757-R761 IonicContact OD2-NH2 3.53Å |
| 758 | R | 71.5 | Confident | 75.2 | Confident | 148 Ų | 148 | 49.8 Ų | 49.8 | 56% | 0.558 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -59.9 | -43.2 | 176 | -70.1 | 174.7 | -172.4 | 171.7 | 2.8 | 112.9 | S754 R755 T762 | S754-R758 WeakPolarHBondContact O-CG 3.24Å; S754-R758 PolarHBondContact O-N 2.88Å; R755-R758 PolarHBondContact O-N 3.25Å; R758-T762 PolarHBondContact O-N 2.86Å; R758-T762 VanDerWaalsContact O-N 3.12Å; R758-T762 PolarHBondContact O-OG1 2.76Å |
| 759 | L | 72.3 | Confident | 74.8 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.1 | -46.4 | 177.3 | -71.3 | 170.9 | 0 | 0 | 0 | 111.4 | D711 I712 L715 R755 M756 D757 R761 T762 I763 A856 V857 | D711-L759 HydrophobicContact CB-CD1 3.55Å; I712-L759 HydrophobicContact CD1-CB 4.17Å; I712-L759 HydrophobicContact CG1-CB 3.95Å; I712-L759 HydrophobicContact CG1-CD1 4.12Å; L715-L759 HydrophobicContact CD1-CD1 3.75Å; R755-L759 PolarHBondContact O-N 2.71Å; R755-L759 VanDerWaalsContact O-N 3.12Å; M756-L759 PolarHBondContact O-N 3.26Å; D757-L759 PolarHBondContact O-N 3.14Å; L759-R761 PolarHBondContact O-N 3.34Å; L759-T762 WeakPolarHBondContact O-CB 3.3Å; L759-T762 PolarHBondContact O-N 3.07Å; L759-I763 WeakPolarHBondContact O-CG1 3.49Å; L759-I763 PolarHBondContact O-N 3.27Å; L759-A856 HydrophobicContact CD2-CB 4.31Å; L759-V857 HydrophobicContact CD2-CG1 4.42Å |
| 760 | G | 75.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M756 D757 T762 I763 A764 | M756-G760 PolarHBondContact O-N 3.47Å; D757-G760 PolarHBondContact O-N 3.13Å; G760-T762 PolarHBondContact O-N 2.96Å; G760-I763 PolarHBondContact O-N 3.28Å; G760-A764 WeakPolarHBondContact O-CB 3.44Å; G760-A764 PolarHBondContact O-N 2.86Å |
| 761 | R | 75.3 | Confident | 74.1 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 20% | 0.204 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 174.1 | -73.7 | -179.7 | -168.3 | -86.8 | -9.1 | 112.3 | D292 D757 L759 I763 A764 N765 L777 L780 | D292-R761 IonicContact OD2-CZ 2.9Å; D292-R761 IonicContact OD2-NH1 3.33Å; D292-R761 PolarHBondContact OD2-NH1 2.69Å; D292-R761 IonicContact OD2-NH2 3.77Å; D757-R761 VanDerWaalsContact CG-NE 3.26Å; D757-R761 WeakPolarHBondContact O-CB 3.46Å; D757-R761 VanDerWaalsContact O-CG 3.31Å; D757-R761 WeakPolarHBondContact O-CG 3.27Å; D757-R761 PolarHBondContact O-N 3.27Å; D757-R761 IonicContact OD1-CZ 2.7Å; D757-R761 IonicContact OD1-NE 2.67Å; D757-R761 PolarHBondContact OD1-NE 3.32Å; D757-R761 IonicContact OD1-NH2 2.9Å; D757-R761 PolarHBondContact OD1-NH2 3.45Å; D757-R761 WeakPolarHBondContact OD2-CD 3.35Å; D757-R761 IonicContact OD2-CZ 3.1Å; D757-R761 IonicContact OD2-NE 3.76Å; D757-R761 PolarHBondContact OD2-NE 3.45Å; D757-R761 IonicContact OD2-NH2 3.53Å; L759-R761 PolarHBondContact O-N 3.34Å; R761-I763 VanDerWaalsContact C-N 3.33Å; R761-I763 PolarHBondContact O-N 2.96Å; R761-A764 PolarHBondContact O-N 3.47Å; R761-N765 WeakPolarHBondContact O-CB 3.39Å; R761-N765 PolarHBondContact O-N 3.33Å; R761-N765 PolarHBondContact O-ND2 3.01Å; R761-L777 HydrophobicContact CG-CD2 4.05Å; R761-L780 HydrophobicContact CG-CD1 3.99Å |
| 762 | T | 71.8 | Confident | 74 | Confident | 59 Ų | 59 | 47.8 Ų | 47.8 | 36% | 0.362 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 173.1 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | R758 L759 G760 N765 H766 | R758-T762 PolarHBondContact O-N 2.86Å; R758-T762 VanDerWaalsContact O-N 3.12Å; R758-T762 PolarHBondContact O-OG1 2.76Å; L759-T762 WeakPolarHBondContact O-CB 3.3Å; L759-T762 PolarHBondContact O-N 3.07Å; G760-T762 PolarHBondContact O-N 2.96Å; T762-N765 PolarHBondContact O-N 3.12Å; T762-H766 PolarHBondContact O-N 3.49Å; T762-H766 PolarHBondContact O-ND1 3.38Å |
| 763 | I | 72.6 | Confident | 73.8 | Confident | 18 Ų | 18 | 50.9 Ų | 50.9 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.9 | -63.2 | 169.9 | 0 | 0 | 0 | 111.3 | I712 L759 G760 R761 N765 H766 C767 L776 A839 V857 | I712-I763 HydrophobicContact CD1-CD1 3.28Å; L759-I763 WeakPolarHBondContact O-CG1 3.49Å; L759-I763 PolarHBondContact O-N 3.27Å; G760-I763 PolarHBondContact O-N 3.28Å; R761-I763 VanDerWaalsContact C-N 3.33Å; R761-I763 PolarHBondContact O-N 2.96Å; I763-N765 VanDerWaalsContact C-N 3.3Å; I763-N765 PolarHBondContact O-N 3.11Å; I763-H766 CarbonylContact O-C 3.59Å; I763-H766 PolarHBondContact O-N 2.97Å; I763-H766 VanDerWaalsContact O-N 3.16Å; I763-C767 PolarHBondContact O-N 3.11Å; I763-L776 HydrophobicContact CB-CD2 4.29Å; I763-L776 HydrophobicContact CG2-CD2 4.08Å; I763-A839 HydrophobicContact CG2-CB 3.67Å; I763-V857 HydrophobicContact CD1-CG2 3.61Å; I763-V857 HydrophobicContact CG1-CG2 4.36Å |
| 764 | A | 73.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G760 R761 H766 C767 K773 L776 L777 | G760-A764 WeakPolarHBondContact O-CB 3.44Å; G760-A764 PolarHBondContact O-N 2.86Å; R761-A764 PolarHBondContact O-N 3.47Å; A764-H766 VanDerWaalsContact C-N 3.3Å; A764-H766 PolarHBondContact O-N 2.89Å; A764-C767 WeakPolarHBondContact O-CB 3.32Å; A764-C767 PolarHBondContact O-N 2.9Å; A764-K773 HydrophobicContact CB-CG 4.15Å; A764-K773 VanDerWaalsContact O-CD 3.27Å; A764-K773 WeakPolarHBondContact O-CD 3.44Å; A764-K773 WeakPolarHBondContact O-CE 3.44Å; A764-K773 WeakPolarHBondContact O-CG 3.46Å; A764-L776 HydrophobicContact CB-CD2 3.94Å; A764-L776 HydrophobicContact CB-CG 4.35Å; A764-L777 HydrophobicContact CB-CD2 3.89Å; A764-L777 HydrophobicContact CB-CG 4.04Å |
| 765 | N | 69.2 | Low | 73.8 | Confident | 107 Ų | 107 | 58.8 Ų | 58.8 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.7 | -29.4 | 177.9 | -72.9 | -24.4 | 0 | 0 | 0 | 113.2 | R761 T762 I763 | R761-N765 WeakPolarHBondContact O-CB 3.39Å; R761-N765 PolarHBondContact O-N 3.33Å; R761-N765 PolarHBondContact O-ND2 3.01Å; T762-N765 PolarHBondContact O-N 3.12Å; I763-N765 VanDerWaalsContact C-N 3.3Å; I763-N765 PolarHBondContact O-N 3.11Å |
| 766 | H | 67.4 | Low | 74.1 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 43% | 0.426 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -88.9 | -9.4 | 176.2 | -69.3 | 92.6 | 0 | 0 | 0 | 112.7 | T762 I763 A764 P768 Y843 | T762-H766 PolarHBondContact O-N 3.49Å; T762-H766 PolarHBondContact O-ND1 3.38Å; I763-H766 CarbonylContact O-C 3.59Å; I763-H766 PolarHBondContact O-N 2.97Å; I763-H766 VanDerWaalsContact O-N 3.16Å; A764-H766 VanDerWaalsContact C-N 3.3Å; A764-H766 PolarHBondContact O-N 2.89Å; H766-P768 VanDerWaalsContact O-CD 3.3Å; H766-P768 WeakPolarHBondContact O-CD 3.25Å; H766-Y843 HydrophobicContact CB-CD2 3.61Å; H766-Y843 HydrophobicContact CB-CE2 3.66Å; H766-Y843 HydrophobicContact CB-CG 4.11Å; H766-Y843 AromaticContact CD2-CE2 3.62Å; H766-Y843 AromaticContact CD2-CZ 3.78Å; H766-Y843 AromaticContact CG-CE2 3.97Å; H766-Y843 WeakPolarHBondContact O-CD2 3.41Å |
| 767 | C | 72.9 | Confident | 73.6 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 5% | 0.054 | 29% | 0.287 | C | S | . | . | trans | -74.5 | 117 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | I763 A764 D769 K773 A839 | I763-C767 PolarHBondContact O-N 3.11Å; A764-C767 WeakPolarHBondContact O-CB 3.32Å; A764-C767 PolarHBondContact O-N 2.9Å; C767-D769 VanDerWaalsContact C-N 3.26Å; C767-D769 PolarHBondContact O-N 3.2Å; C767-D769 PolarHBondContact SG-O 3.44Å; C767-D769 VanDerWaalsContact SG-O 3.36Å; C767-K773 HydrophobicContact CB-CB 4.35Å; C767-A839 HydrophobicContact CB-CB 4.09Å | ||
| 768 | P | 68.9 | Low | 73.9 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | trans | -74.4 | -18 | 179.1 | 30.8 | -35.3 | 0 | 0 | 0 | 112.9 | H766 K842 | H766-P768 VanDerWaalsContact O-CD 3.3Å; H766-P768 WeakPolarHBondContact O-CD 3.25Å; P768-K842 HydrophobicContact CG-CB 4.46Å | ||
| 769 | D | 78.6 | Confident | 74.5 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | trans | -90.4 | 114.9 | -178.1 | -178.6 | 84 | 0 | 0 | 0 | 111 | C767 A771 C772 K773 K842 | C767-D769 VanDerWaalsContact C-N 3.26Å; C767-D769 PolarHBondContact O-N 3.2Å; C767-D769 PolarHBondContact SG-O 3.44Å; C767-D769 VanDerWaalsContact SG-O 3.36Å; D769-A771 PolarHBondContact O-N 3.32Å; D769-C772 HydrophobicContact CB-CB 4.32Å; D769-C772 WeakPolarHBondContact OD2-CB 3.35Å; D769-C772 PolarHBondContact OD2-N 3.37Å; D769-K773 WeakPolarHBondContact O-CB 3.42Å; D769-K773 PolarHBondContact O-N 3.26Å; D769-K773 VanDerWaalsContact O-N 3.09Å; D769-K842 HydrophobicContact CB-CD 3.4Å; D769-K842 VanDerWaalsContact CB-CD 3.4Å; D769-K842 IonicContact OD1-NZ 3.87Å; D769-K842 PolarHBondContact OD1-NZ 3.11Å; D769-K842 IonicContact OD2-NZ 2.65Å; D769-K842 PolarHBondContact OD2-NZ 3.2Å | ||
| 770 | S | 73.8 | Confident | 74.6 | Confident | 79 Ų | 79 | 49.2 Ų | 49.2 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.3 | -38.7 | -174.2 | -167.9 | 0 | 0 | 0 | 0 | 112.9 | K773 Q774 | S770-K773 WeakPolarHBondContact O-CB 3.39Å; S770-K773 PolarHBondContact O-N 3.38Å; S770-Q774 WeakPolarHBondContact O-CG 3.41Å; S770-Q774 PolarHBondContact O-N 3.04Å |
| 771 | A | 74.9 | Confident | 74.6 | Confident | 57 Ų | 57 | 52 Ų | 52 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.5 | -53 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D769 K773 Q774 D775 | D769-A771 PolarHBondContact O-N 3.32Å; A771-K773 PolarHBondContact O-N 3.33Å; A771-Q774 PolarHBondContact O-N 3.43Å; A771-Q774 VanDerWaalsContact O-N 3.12Å; A771-D775 PolarHBondContact O-N 3.38Å |
| 772 | C | 75.7 | Confident | 74.9 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -32.6 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | D769 L776 V838 A839 | D769-C772 HydrophobicContact CB-CB 4.32Å; D769-C772 WeakPolarHBondContact OD2-CB 3.35Å; D769-C772 PolarHBondContact OD2-N 3.37Å; C772-L776 WeakPolarHBondContact O-CB 3.45Å; C772-L776 PolarHBondContact O-N 3.29Å; C772-L776 VanDerWaalsContact O-N 3.17Å; C772-V838 VanDerWaalsContact SG-CG1 3.57Å; C772-A839 VanDerWaalsContact SG-CA 3.57Å; C772-A839 PolarHBondContact SG-N 3.47Å; C772-A839 VanDerWaalsContact SG-N 3.4Å |
| 773 | K | 75.8 | Confident | 75.3 | Confident | 67 Ų | 67 | 52 Ų | 52 | 29% | 0.291 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 174 | 178.1 | 178.6 | -176.6 | 177 | 0 | 111.5 | A764 C767 D769 S770 A771 L776 L777 | A764-K773 HydrophobicContact CB-CG 4.15Å; A764-K773 VanDerWaalsContact O-CD 3.27Å; A764-K773 WeakPolarHBondContact O-CD 3.44Å; A764-K773 WeakPolarHBondContact O-CE 3.44Å; A764-K773 WeakPolarHBondContact O-CG 3.46Å; C767-K773 HydrophobicContact CB-CB 4.35Å; D769-K773 WeakPolarHBondContact O-CB 3.42Å; D769-K773 PolarHBondContact O-N 3.26Å; D769-K773 VanDerWaalsContact O-N 3.09Å; S770-K773 WeakPolarHBondContact O-CB 3.39Å; S770-K773 PolarHBondContact O-N 3.38Å; A771-K773 PolarHBondContact O-N 3.33Å; K773-L776 PolarHBondContact O-N 3.02Å; K773-L777 HydrophobicContact CG-CD1 4.08Å; K773-L777 WeakPolarHBondContact O-CG 3.44Å; K773-L777 PolarHBondContact O-N 3.47Å |
| 774 | Q | 74.4 | Confident | 75.4 | Confident | 130 Ų | 130 | 53.9 Ų | 53.9 | 61% | 0.607 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64 | -43.1 | 179.5 | -76.7 | -173.6 | -19.4 | 0 | 0 | 111.9 | S770 A771 L776 L777 A778 | S770-Q774 WeakPolarHBondContact O-CG 3.41Å; S770-Q774 PolarHBondContact O-N 3.04Å; A771-Q774 PolarHBondContact O-N 3.43Å; A771-Q774 VanDerWaalsContact O-N 3.12Å; Q774-L776 PolarHBondContact O-N 3.22Å; Q774-L777 PolarHBondContact O-N 3.04Å; Q774-A778 WeakPolarHBondContact O-CB 3.46Å; Q774-A778 PolarHBondContact O-N 2.89Å |
| 775 | D | 78.7 | Confident | 75.6 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 176.2 | -71 | -20.2 | 0 | 0 | 0 | 111.6 | A771 L777 A778 Y779 | A771-D775 PolarHBondContact O-N 3.38Å; D775-L777 PolarHBondContact O-N 3.09Å; D775-A778 PolarHBondContact O-N 3.3Å; D775-Y779 HydrophobicContact CB-CE2 4.24Å; D775-Y779 WeakPolarHBondContact O-CD2 3.39Å; D775-Y779 PolarHBondContact O-N 3.46Å; D775-Y779 VanDerWaalsContact O-N 3.09Å |
| 776 | L | 81.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 178.4 | 178.1 | 54.5 | 0 | 0 | 0 | 111.6 | I763 A764 C772 K773 Q774 A778 Y779 L780 T832 A835 S836 A839 | I763-L776 HydrophobicContact CB-CD2 4.29Å; I763-L776 HydrophobicContact CG2-CD2 4.08Å; A764-L776 HydrophobicContact CB-CD2 3.94Å; A764-L776 HydrophobicContact CB-CG 4.35Å; C772-L776 WeakPolarHBondContact O-CB 3.45Å; C772-L776 PolarHBondContact O-N 3.29Å; C772-L776 VanDerWaalsContact O-N 3.17Å; K773-L776 PolarHBondContact O-N 3.02Å; Q774-L776 PolarHBondContact O-N 3.22Å; L776-A778 VanDerWaalsContact C-N 3.35Å; L776-A778 PolarHBondContact O-N 3.03Å; L776-Y779 PolarHBondContact O-N 3.26Å; L776-L780 HydrophobicContact CD1-CG 4.42Å; L776-L780 HydrophobicContact CG-CD1 4.44Å; L776-L780 WeakPolarHBondContact O-CG 3.43Å; L776-L780 PolarHBondContact O-N 3.46Å; L776-L780 VanDerWaalsContact O-N 3.09Å; L776-T832 HydrophobicContact CD1-CG2 4.16Å; L776-A835 HydrophobicContact CB-CB 4.1Å; L776-A835 HydrophobicContact CD1-CB 3.99Å; L776-S836 VanDerWaalsContact CD1-OG 3.3Å; L776-S836 WeakPolarHBondContact CD1-OG 3.11Å; L776-A839 HydrophobicContact CD2-CB 3.88Å |
| 777 | L | 71.3 | Confident | 77 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 178.6 | -69.7 | 173.2 | 0 | 0 | 0 | 112.5 | R761 A764 K773 Q774 D775 L780 Q781 | R761-L777 HydrophobicContact CG-CD2 4.05Å; A764-L777 HydrophobicContact CB-CD2 3.89Å; A764-L777 HydrophobicContact CB-CG 4.04Å; K773-L777 HydrophobicContact CG-CD1 4.08Å; K773-L777 WeakPolarHBondContact O-CG 3.44Å; K773-L777 PolarHBondContact O-N 3.47Å; Q774-L777 PolarHBondContact O-N 3.04Å; D775-L777 PolarHBondContact O-N 3.09Å; L777-L780 HydrophobicContact CD2-CD1 4.41Å; L777-L780 PolarHBondContact O-N 3.35Å; L777-Q781 WeakPolarHBondContact O-CG 3.38Å; L777-Q781 PolarHBondContact O-N 2.82Å |
| 778 | A | 76.1 | Confident | 77.1 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q774 D775 L776 L780 Q781 R782 | Q774-A778 WeakPolarHBondContact O-CB 3.46Å; Q774-A778 PolarHBondContact O-N 2.89Å; D775-A778 PolarHBondContact O-N 3.3Å; L776-A778 VanDerWaalsContact C-N 3.35Å; L776-A778 PolarHBondContact O-N 3.03Å; A778-L780 VanDerWaalsContact C-N 3.35Å; A778-Q781 PolarHBondContact O-N 3Å; A778-R782 WeakPolarHBondContact O-CG 3.4Å; A778-R782 PolarHBondContact O-N 3.36Å; A778-R782 VanDerWaalsContact O-N 3.1Å |
| 779 | Y | 84.8 | Confident | 77.5 | Confident | 54 Ų | 54 | 50.8 Ų | 50.8 | 21% | 0.212 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -34.2 | 175.7 | -62.8 | -53.9 | 0 | 0 | 0 | 112.7 | D775 L776 R782 I783 Q831 T832 A835 | D775-Y779 HydrophobicContact CB-CE2 4.24Å; D775-Y779 WeakPolarHBondContact O-CD2 3.39Å; D775-Y779 PolarHBondContact O-N 3.46Å; D775-Y779 VanDerWaalsContact O-N 3.09Å; L776-Y779 PolarHBondContact O-N 3.26Å; Y779-R782 WeakPolarHBondContact O-CB 3.46Å; Y779-R782 PolarHBondContact O-N 3.27Å; Y779-I783 PolarHBondContact O-N 3.01Å; Y779-Q831 HydrophobicContact CD1-CB 3.48Å; Y779-Q831 VanDerWaalsContact CD1-CB 3.48Å; Y779-Q831 HydrophobicContact CD1-CG 4.13Å; Y779-Q831 HydrophobicContact CD2-CB 3.82Å; Y779-Q831 HydrophobicContact CE1-CB 3.52Å; Y779-Q831 HydrophobicContact CE1-CG 3.8Å; Y779-Q831 HydrophobicContact CE2-CB 3.87Å; Y779-Q831 HydrophobicContact CG-CB 3.65Å; Y779-T832 VanDerWaalsContact CB-OG1 3.32Å; Y779-T832 WeakPolarHBondContact CB-OG1 3.3Å; Y779-A835 HydrophobicContact CD2-CB 4Å; Y779-A835 HydrophobicContact CE2-CB 4.31Å |
| 780 | L | 73.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 173.7 | -68 | 177.3 | 0 | 0 | 0 | 112.5 | R761 L776 L777 A778 R782 I783 A784 T832 | R761-L780 HydrophobicContact CG-CD1 3.99Å; L776-L780 HydrophobicContact CD1-CG 4.42Å; L776-L780 HydrophobicContact CG-CD1 4.44Å; L776-L780 WeakPolarHBondContact O-CG 3.43Å; L776-L780 PolarHBondContact O-N 3.46Å; L776-L780 VanDerWaalsContact O-N 3.09Å; L777-L780 HydrophobicContact CD2-CD1 4.41Å; L777-L780 PolarHBondContact O-N 3.35Å; A778-L780 VanDerWaalsContact C-N 3.35Å; L780-R782 VanDerWaalsContact C-N 3.3Å; L780-R782 PolarHBondContact O-N 2.73Å; L780-I783 HydrophobicContact CD2-CD1 4.38Å; L780-I783 WeakPolarHBondContact O-CB 3.38Å; L780-I783 PolarHBondContact O-N 3.45Å; L780-A784 PolarHBondContact O-N 3.22Å; L780-T832 HydrophobicContact CD2-CG2 3.52Å; L780-T832 HydrophobicContact CG-CG2 4.43Å |
| 781 | Q | 74.8 | Confident | 77.7 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 27% | 0.271 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 172.3 | -71.1 | 171.9 | -3.7 | 0 | 0 | 111.7 | D292 L777 A778 A784 L785 | D292-Q781 HydrophobicContact CB-CG 4.44Å; L777-Q781 WeakPolarHBondContact O-CG 3.38Å; L777-Q781 PolarHBondContact O-N 2.82Å; A778-Q781 PolarHBondContact O-N 3Å; Q781-A784 WeakPolarHBondContact O-CB 3.22Å; Q781-A784 PolarHBondContact O-N 3.02Å; Q781-L785 PolarHBondContact O-N 3Å |
| 782 | R | 82.4 | Confident | 77.6 | Confident | 114 Ų | 114 | 47.1 Ų | 47.1 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.2 | -40 | 173.5 | -71.6 | 177.1 | 174.3 | -178.1 | -0.2 | 112.5 | A778 Y779 L780 A784 L785 Y786 A828 | A778-R782 WeakPolarHBondContact O-CG 3.4Å; A778-R782 PolarHBondContact O-N 3.36Å; A778-R782 VanDerWaalsContact O-N 3.1Å; Y779-R782 WeakPolarHBondContact O-CB 3.46Å; Y779-R782 PolarHBondContact O-N 3.27Å; L780-R782 VanDerWaalsContact C-N 3.3Å; L780-R782 PolarHBondContact O-N 2.73Å; R782-A784 VanDerWaalsContact C-N 3.32Å; R782-A784 PolarHBondContact O-N 3.03Å; R782-L785 PolarHBondContact O-N 3.35Å; R782-Y786 HydrophobicContact CB-CD2 4.3Å; R782-Y786 HydrophobicContact CB-CE2 4Å; R782-Y786 HydrophobicContact CG-CE2 4.48Å; R782-Y786 WeakPolarHBondContact O-CD2 3.42Å; R782-Y786 PolarHBondContact O-N 3.06Å; R782-A828 HydrophobicContact CB-CB 3.93Å |
| 783 | I | 80.6 | Confident | 77.4 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -46.8 | 172.4 | -72.3 | 178.7 | 0 | 0 | 0 | 110.1 | M719 M756 Y779 L780 L785 Y786 C787 L825 A828 V829 T832 | M719-I783 HydrophobicContact CE-CG2 4.32Å; M756-I783 HydrophobicContact CG-CD1 4.49Å; M756-I783 HydrophobicContact SD-CD1 3.67Å; Y779-I783 PolarHBondContact O-N 3.01Å; L780-I783 HydrophobicContact CD2-CD1 4.38Å; L780-I783 WeakPolarHBondContact O-CB 3.38Å; L780-I783 PolarHBondContact O-N 3.45Å; I783-L785 PolarHBondContact O-N 2.81Å; I783-Y786 PolarHBondContact O-N 3.34Å; I783-C787 VanDerWaalsContact O-CB 3.24Å; I783-C787 WeakPolarHBondContact O-CB 3.47Å; I783-C787 PolarHBondContact O-N 3.02Å; I783-C787 PolarHBondContact O-SG 2.9Å; I783-L825 HydrophobicContact CB-CD1 4.27Å; I783-L825 HydrophobicContact CG1-CD1 4.25Å; I783-L825 HydrophobicContact CG2-CD1 4.06Å; I783-A828 HydrophobicContact CG1-CB 3.86Å; I783-V829 HydrophobicContact CD1-CG2 4.01Å; I783-V829 HydrophobicContact CG1-CG2 4.23Å; I783-T832 HydrophobicContact CD1-CG2 3.91Å; I783-T832 WeakPolarHBondContact CD1-OG1 3.25Å |
| 784 | A | 74.3 | Confident | 77.3 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 46% | 0.463 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L780 Q781 R782 H788 | L780-A784 PolarHBondContact O-N 3.22Å; Q781-A784 WeakPolarHBondContact O-CB 3.22Å; Q781-A784 PolarHBondContact O-N 3.02Å; R782-A784 VanDerWaalsContact C-N 3.32Å; R782-A784 PolarHBondContact O-N 3.03Å; A784-H788 WeakPolarHBondContact O-CB 3.47Å; A784-H788 PolarHBondContact O-N 3.39Å |
| 785 | L | 78.5 | Confident | 77 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.8 | -53.7 | 174.8 | 171.8 | 55.3 | 0 | 0 | 0 | 111.8 | I290 Q781 R782 I783 H788 Q789 | I290-L785 HydrophobicContact CD1-CD1 3.4Å; I290-L785 HydrophobicContact CD1-CG 4.49Å; Q781-L785 PolarHBondContact O-N 3Å; R782-L785 PolarHBondContact O-N 3.35Å; I783-L785 PolarHBondContact O-N 2.81Å; L785-H788 WeakPolarHBondContact O-CB 3.35Å; L785-H788 PolarHBondContact O-N 2.93Å; L785-H788 VanDerWaalsContact O-N 3.13Å; L785-Q789 HydrophobicContact CD1-CG 4.12Å; L785-Q789 PolarHBondContact O-N 3.26Å |
| 786 | Y | 86.4 | Confident | 76 | Confident | 41 Ų | 41 | 43.4 Ų | 43.4 | 16% | 0.161 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -75.5 | -29.2 | -173.7 | -58.8 | -47.5 | 0 | 0 | 0 | 112.9 | R782 I783 H788 Q789 L790 N824 A828 | R782-Y786 HydrophobicContact CB-CD2 4.3Å; R782-Y786 HydrophobicContact CB-CE2 4Å; R782-Y786 HydrophobicContact CG-CE2 4.48Å; R782-Y786 WeakPolarHBondContact O-CD2 3.42Å; R782-Y786 PolarHBondContact O-N 3.06Å; I783-Y786 PolarHBondContact O-N 3.34Å; Y786-H788 VanDerWaalsContact C-N 3.27Å; Y786-H788 PolarHBondContact O-N 3.46Å; Y786-Q789 VanDerWaalsContact CD1-OE1 3.31Å; Y786-L790 WeakPolarHBondContact O-CB 3.4Å; Y786-L790 PolarHBondContact O-N 3.2Å; Y786-N824 HydrophobicContact CD1-CB 3.59Å; Y786-N824 VanDerWaalsContact CD2-C 3.44Å; Y786-N824 HydrophobicContact CD2-CB 3.77Å; Y786-N824 WeakPolarHBondContact CD2-O 3.44Å; Y786-N824 HydrophobicContact CE1-CB 3.55Å; Y786-N824 HydrophobicContact CE2-CB 3.71Å; Y786-N824 HydrophobicContact CG-CB 3.72Å; Y786-A828 HydrophobicContact CD2-CB 4.01Å; Y786-A828 HydrophobicContact CE2-CB 4.32Å |
| 787 | C | 79.4 | Confident | 74.6 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 166.5 | -76.9 | 0 | 0 | 0 | 0 | 111.7 | A750 I783 N791 | A750-C787 HydrophobicContact CB-CB 4.44Å; I783-C787 VanDerWaalsContact O-CB 3.24Å; I783-C787 WeakPolarHBondContact O-CB 3.47Å; I783-C787 PolarHBondContact O-N 3.02Å; I783-C787 PolarHBondContact O-SG 2.9Å; C787-N791 PolarHBondContact O-N 3.5Å; C787-N791 VanDerWaalsContact O-N 3.11Å; C787-N791 PolarHBondContact O-ND2 3.27Å |
| 788 | H | 74.9 | Confident | 73.5 | Confident | 73 Ų | 73 | 50.8 Ų | 50.8 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.5 | -48.1 | 177.1 | -172.8 | 75.5 | 0 | 0 | 0 | 111.7 | D369 A784 L785 Y786 L790 N791 I792 | D369-H788 IonicContact OD1-NE2 2.65Å; D369-H788 PolarHBondContact OD1-NE2 2.9Å; A784-H788 WeakPolarHBondContact O-CB 3.47Å; A784-H788 PolarHBondContact O-N 3.39Å; L785-H788 WeakPolarHBondContact O-CB 3.35Å; L785-H788 PolarHBondContact O-N 2.93Å; L785-H788 VanDerWaalsContact O-N 3.13Å; Y786-H788 VanDerWaalsContact C-N 3.27Å; Y786-H788 PolarHBondContact O-N 3.46Å; H788-L790 VanDerWaalsContact C-N 3.32Å; H788-L790 PolarHBondContact O-N 2.97Å; H788-N791 WeakPolarHBondContact O-CB 3.27Å; H788-N791 PolarHBondContact O-N 2.78Å; H788-N791 VanDerWaalsContact O-N 3.12Å; H788-I792 WeakPolarHBondContact O-CG1 3.39Å; H788-I792 PolarHBondContact O-N 3.39Å |
| 789 | Q | 76.9 | Confident | 71.8 | Confident | 70 Ų | 70 | 55 Ų | 55 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.1 | -45.8 | 173.3 | -72.6 | -177 | -9.6 | 0 | 0 | 111.6 | L785 Y786 N791 I792 C793 A821 | L785-Q789 HydrophobicContact CD1-CG 4.12Å; L785-Q789 PolarHBondContact O-N 3.26Å; Y786-Q789 VanDerWaalsContact CD1-OE1 3.31Å; Q789-N791 VanDerWaalsContact C-N 3.29Å; Q789-N791 PolarHBondContact O-N 3.34Å; Q789-I792 WeakPolarHBondContact O-CB 3.41Å; Q789-I792 PolarHBondContact O-N 3.14Å; Q789-I792 VanDerWaalsContact O-N 3.11Å; Q789-C793 PolarHBondContact O-N 2.95Å; Q789-C793 PolarHBondContact O-SG 3.29Å; Q789-A821 HydrophobicContact CB-CB 4.13Å |
| 790 | L | 81.6 | Confident | 69.8 | Low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -35.5 | 178.5 | -165.1 | 72.7 | 0 | 0 | 0 | 112.4 | M726 I749 Y786 H788 S794 L818 A821 A822 L825 | M726-L790 HydrophobicContact CE-CD1 4.16Å; M726-L790 HydrophobicContact CE-CD2 4.14Å; M726-L790 HydrophobicContact CE-CG 3.97Å; M726-L790 HydrophobicContact SD-CD2 4.12Å; I749-L790 HydrophobicContact CB-CD2 4.39Å; I749-L790 HydrophobicContact CD1-CD2 3.55Å; I749-L790 HydrophobicContact CG2-CD2 4.01Å; Y786-L790 WeakPolarHBondContact O-CB 3.4Å; Y786-L790 PolarHBondContact O-N 3.2Å; H788-L790 VanDerWaalsContact C-N 3.32Å; H788-L790 PolarHBondContact O-N 2.97Å; L790-S794 WeakPolarHBondContact O-CB 3.45Å; L790-S794 PolarHBondContact O-N 3.2Å; L790-S794 PolarHBondContact O-OG 3.27Å; L790-L818 HydrophobicContact CD1-CD1 3.79Å; L790-L818 HydrophobicContact CD1-CG 4.03Å; L790-L818 WeakPolarHBondContact CD1-O 3.31Å; L790-L818 HydrophobicContact CG-CD1 4.39Å; L790-A821 HydrophobicContact CB-CB 4.29Å; L790-A821 HydrophobicContact CD1-CB 3.97Å; L790-A822 HydrophobicContact CD1-CB 3.99Å; L790-L825 HydrophobicContact CD2-CD2 4.13Å |
| 791 | N | 74.4 | Confident | 68.2 | Low | 28 Ų | 28 | 59.7 Ų | 59.7 | 15% | 0.15 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 172.9 | -91 | -38.4 | 0 | 0 | 0 | 112.5 | A746 K747 A750 C787 H788 Q789 S794 K795 | A746-N791 VanDerWaalsContact C-OD1 3.27Å; A746-N791 WeakPolarHBondContact CB-OD1 3.35Å; A746-N791 PolarHBondContact O-OD1 2.9Å; K747-N791 PolarHBondContact N-OD1 3.45Å; A750-N791 VanDerWaalsContact CB-ND2 3.27Å; A750-N791 WeakPolarHBondContact CB-ND2 3.3Å; C787-N791 PolarHBondContact O-N 3.5Å; C787-N791 VanDerWaalsContact O-N 3.11Å; C787-N791 PolarHBondContact O-ND2 3.27Å; H788-N791 WeakPolarHBondContact O-CB 3.27Å; H788-N791 PolarHBondContact O-N 2.78Å; H788-N791 VanDerWaalsContact O-N 3.12Å; Q789-N791 VanDerWaalsContact C-N 3.29Å; Q789-N791 PolarHBondContact O-N 3.34Å; N791-S794 PolarHBondContact O-N 3Å; N791-S794 PolarHBondContact O-OG 3.48Å; N791-K795 WeakPolarHBondContact O-CG 3.3Å; N791-K795 PolarHBondContact O-N 2.91Å |
| 792 | I | 73.5 | Confident | 66.3 | Low | 82 Ų | 82 | 59.8 Ų | 59.8 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -53.5 | 175.1 | -65.6 | 169.4 | 0 | 0 | 0 | 109.1 | H788 Q789 S794 K795 | H788-I792 WeakPolarHBondContact O-CG1 3.39Å; H788-I792 PolarHBondContact O-N 3.39Å; Q789-I792 WeakPolarHBondContact O-CB 3.41Å; Q789-I792 PolarHBondContact O-N 3.14Å; Q789-I792 VanDerWaalsContact O-N 3.11Å; I792-S794 PolarHBondContact O-N 2.82Å; I792-K795 PolarHBondContact O-N 2.99Å |
| 793 | C | 71.8 | Confident | 64.1 | Low | 19 Ų | 19 | 59.9 Ų | 59.9 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.6 | -37.3 | 178.9 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | Q789 K795 S814 L818 | Q789-C793 PolarHBondContact O-N 2.95Å; Q789-C793 PolarHBondContact O-SG 3.29Å; C793-K795 VanDerWaalsContact C-N 3.31Å; C793-K795 PolarHBondContact O-N 3.01Å; C793-S814 PolarHBondContact O-OG 2.96Å; C793-L818 HydrophobicContact CB-CB 4.21Å; C793-L818 HydrophobicContact CB-CD1 3.7Å |
| 794 | S | 71.9 | Confident | 62.1 | Low | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.1 | -23.5 | 179.3 | 74.4 | 0 | 0 | 0 | 0 | 115 | I743 A746 L790 N791 I792 | I743-S794 WeakPolarHBondContact CG1-O 3.48Å; A746-S794 VanDerWaalsContact CB-CB 3.48Å; A746-S794 VanDerWaalsContact CB-OG 3.25Å; A746-S794 WeakPolarHBondContact CB-OG 3.32Å; L790-S794 WeakPolarHBondContact O-CB 3.45Å; L790-S794 PolarHBondContact O-N 3.2Å; L790-S794 PolarHBondContact O-OG 3.27Å; N791-S794 PolarHBondContact O-N 3Å; N791-S794 PolarHBondContact O-OG 3.48Å; I792-S794 PolarHBondContact O-N 2.82Å |
| 795 | K | 68.3 | Low | 60.3 | Low | 135 Ų | 135 | 65.4 Ų | 65.4 | 59% | 0.587 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -87.9 | -16.6 | -177 | -72.2 | 173.3 | -176.3 | 177.2 | 0 | 112.9 | N791 I792 C793 K797 | N791-K795 WeakPolarHBondContact O-CG 3.3Å; N791-K795 PolarHBondContact O-N 2.91Å; I792-K795 PolarHBondContact O-N 2.99Å; C793-K795 VanDerWaalsContact C-N 3.31Å; C793-K795 PolarHBondContact O-N 3.01Å; K795-K797 PolarHBondContact O-N 3.06Å |
| 796 | V | 59.2 | Low | 58.2 | Low | 64 Ų | 64 | 70.3 Ų | 70.3 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -69.3 | 116.2 | 173.3 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | ||
| 797 | K | 52.2 | Low | 56.1 | Low | 156 Ų | 156 | 71.1 Ų | 71.1 | 68% | 0.678 | 40% | 0.4 | S | S | * | . | trans | -81.1 | 131.2 | 179.2 | -81.3 | -177.2 | 175.9 | 179 | 0 | 109.4 | T739 K795 E799 | T739-K797 HydrophobicContact CG2-CG 4.48Å; K795-K797 PolarHBondContact O-N 3.06Å; K797-E799 PolarHBondContact O-N 3.33Å | ||
| 798 | A | 48.1 | Very low | 54.4 | Low | 36 Ų | 36 | 73.2 Ų | 73.2 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | trans | -68 | 112.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 799 | E | 40.6 | Very low | 52.8 | Low | 129 Ų | 129 | 70 Ų | 70 | 60% | 0.603 | 40% | 0.398 | S | S | * | . | trans | -84.7 | 146 | 169.1 | -68.1 | -166.7 | 164.7 | 0 | 0 | 110.1 | K797 S810 | K797-E799 PolarHBondContact O-N 3.33Å; E799-S810 PolarHBondContact N-OG 2.94Å; E799-S810 WeakPolarHBondContact O-CB 3.48Å; E799-S810 PolarHBondContact O-N 3.18Å; E799-S810 PolarHBondContact O-OG 3.25Å | ||
| 800 | V | 41.7 | Very low | 51.5 | Low | 49 Ų | 49 | 67.2 Ų | 67.2 | 30% | 0.297 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.3 | -176.7 | -175.6 | 0 | 0 | 0 | 0 | 107 | I664 I672 L807 | I664-V800 HydrophobicContact CD1-CG1 4.37Å; I664-V800 HydrophobicContact CG2-CB 4.36Å; I664-V800 HydrophobicContact CG2-CG1 3.84Å; I672-V800 HydrophobicContact CD1-CG2 3.85Å; I672-V800 HydrophobicContact CG2-CG2 4.35Å; V800-L807 HydrophobicContact CG1-CD2 3.42Å; V800-L807 VanDerWaalsContact CG1-CD2 3.42Å |
| 801 | Q | 40.1 | Very low | 49.9 | Very low | 102 Ų | 102 | 67.3 Ų | 67.3 | 48% | 0.477 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.2 | 175.7 | -72.5 | -176.8 | -0.1 | 0 | 0 | 110.1 | L803 V808 | Q801-L803 HydrophobicContact CB-CD1 4.2Å; Q801-V808 PolarHBondContact N-O 2.89Å; Q801-V808 PolarHBondContact O-N 3.05Å; Q801-V808 VanDerWaalsContact O-O 3.1Å |
| 802 | N | 36.2 | Very low | 48.9 | Very low | 61 Ų | 61 | 66 Ų | 66 | 33% | 0.326 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.3 | 172.7 | -102.4 | -6.7 | 0 | 0 | 0 | 109.1 | I664 | I664-N802 HydrophobicContact CD1-CB 4.32Å; I664-N802 WeakPolarHBondContact CD1-ND2 3.43Å; I664-N802 WeakPolarHBondContact CD1-OD1 3.37Å |
| 803 | L | 36 | Very low | 47.8 | Very low | 115 Ų | 115 | 63.1 Ų | 63.1 | 60% | 0.602 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 117.3 | 165.9 | -80.8 | 96.5 | 0 | 0 | 0 | 109.3 | Q801 G805 E806 | Q801-L803 HydrophobicContact CB-CD1 4.2Å; L803-G805 PolarHBondContact O-N 3.49Å; L803-E806 PolarHBondContact O-N 3.13Å |
| 804 | G | 37.1 | Very low | 47.4 | Very low | 93 Ų | 93 | 63.1 Ų | 63.1 | 96% | 0.959 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 19.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 805 | G | 36.9 | Very low | 47 | Very low | 80 Ų | 80 | 63.2 Ų | 63.2 | 83% | 0.825 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | 4.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L803 | L803-G805 PolarHBondContact O-N 3.49Š|
| 806 | E | 35.7 | Very low | 46.9 | Very low | 132 Ų | 132 | 58.3 Ų | 58.3 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.5 | 173 | -163.2 | 169.7 | -173.3 | 0 | 0 | 110.6 | L803 V808 | L803-E806 PolarHBondContact O-N 3.13Å; E806-V808 PolarHBondContact O-N 3.38Å |
| 807 | L | 41 | Very low | 47.6 | Very low | 58 Ų | 58 | 58.2 Ų | 58.2 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 108.2 | -177.7 | -105.9 | 144 | 0 | 0 | 0 | 109.9 | I664 V800 | I664-L807 HydrophobicContact CD1-CD2 3.95Å; I664-L807 HydrophobicContact CD1-CG 4.19Å; V800-L807 HydrophobicContact CG1-CD2 3.42Å; V800-L807 VanDerWaalsContact CG1-CD2 3.42Å |
| 808 | V | 43.4 | Very low | 48.9 | Very low | 52 Ų | 52 | 51.1 Ų | 51.1 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.9 | 174.6 | -175.2 | 0 | 0 | 0 | 0 | 109 | Q801 E806 | Q801-V808 PolarHBondContact N-O 2.89Å; Q801-V808 PolarHBondContact O-N 3.05Å; Q801-V808 VanDerWaalsContact O-O 3.1Å; E806-V808 PolarHBondContact O-N 3.38Å |
| 809 | V | 43 | Very low | 50.3 | Low | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.7 | -173.3 | -178 | 0 | 0 | 0 | 0 | 108.5 | T634 I672 L676 G811 | T634-V809 VanDerWaalsContact CG2-O 3.26Å; T634-V809 WeakPolarHBondContact CG2-O 3.45Å; I672-V809 HydrophobicContact CG2-CB 3.94Å; I672-V809 HydrophobicContact CG2-CG1 3.49Å; I672-V809 VanDerWaalsContact CG2-CG1 3.49Å; I672-V809 HydrophobicContact CG2-CG2 3.13Å; L676-V809 HydrophobicContact CD2-CB 3.67Å; L676-V809 HydrophobicContact CD2-CG1 4.06Å; L676-V809 HydrophobicContact CD2-CG2 4.1Å; V809-G811 VanDerWaalsContact C-N 3.28Å; V809-G811 PolarHBondContact O-N 3.09Å |
| 810 | S | 48 | Very low | 52 | Low | 10 Ų | 10 | 46 Ų | 46 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | trans | -71.8 | -14.8 | -175.6 | 79.8 | 0 | 0 | 0 | 0 | 115.4 | T634 E636 E799 V812 | T634-S810 WeakPolarHBondContact CB-O 3.25Å; E636-S810 VanDerWaalsContact OE1-O 3.09Å; E636-S810 PolarHBondContact OE1-OG 2.93Å; E636-S810 VanDerWaalsContact OE2-O 3.11Å; E799-S810 PolarHBondContact N-OG 2.94Å; E799-S810 WeakPolarHBondContact O-CB 3.48Å; E799-S810 PolarHBondContact O-N 3.18Å; E799-S810 PolarHBondContact O-OG 3.25Å; S810-V812 VanDerWaalsContact C-N 3.34Å; S810-V812 PolarHBondContact O-N 3.2Å; S810-V812 VanDerWaalsContact O-N 3.08Å | ||
| 811 | G | 48.4 | Very low | 53.9 | Low | 3 Ų | 3 | 43.9 Ų | 43.9 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 21.2 | -162.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | V809 A815 | V809-G811 VanDerWaalsContact C-N 3.28Å; V809-G811 PolarHBondContact O-N 3.09Å; G811-A815 WeakPolarHBondContact O-CB 3.45Å; G811-A815 PolarHBondContact O-N 3.27Å; G811-A815 VanDerWaalsContact O-N 3.15Å |
| 812 | V | 52.9 | Low | 56.2 | Low | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -81.4 | -36.3 | -176.9 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | T634 L676 Q680 I684 S810 A815 M816 | T634-V812 HydrophobicContact CG2-CB 3.74Å; T634-V812 HydrophobicContact CG2-CG2 3.83Å; L676-V812 HydrophobicContact CD1-CG2 3.95Å; L676-V812 HydrophobicContact CD2-CG2 4Å; Q680-V812 HydrophobicContact CB-CG1 4.34Å; Q680-V812 HydrophobicContact CB-CG2 4.04Å; Q680-V812 HydrophobicContact CG-CG2 4.18Å; I684-V812 HydrophobicContact CD1-CG1 4.11Å; I684-V812 HydrophobicContact CD1-CG2 4.43Å; I684-V812 HydrophobicContact CG1-CG1 4.13Å; S810-V812 VanDerWaalsContact C-N 3.34Å; S810-V812 PolarHBondContact O-N 3.2Å; S810-V812 VanDerWaalsContact O-N 3.08Å; V812-A815 CarbonylContact O-C 3.55Å; V812-A815 WeakPolarHBondContact O-CA 3.38Å; V812-A815 WeakPolarHBondContact O-CB 3.04Å; V812-A815 PolarHBondContact O-N 3Å; V812-M816 HydrophobicContact CG1-CE 4.12Å; V812-M816 HydrophobicContact CG1-CG 4.43Å; V812-M816 HydrophobicContact CG1-SD 4.44Å; V812-M816 VanDerWaalsContact O-CG 3.31Å; V812-M816 WeakPolarHBondContact O-CG 3.27Å; V812-M816 PolarHBondContact O-N 3.43Å |
| 813 | D | 51.6 | Low | 58.6 | Low | 21 Ų | 21 | 38 Ų | 38 | 11% | 0.112 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -78.4 | -37.6 | 177 | -63 | -61 | 0 | 0 | 0 | 113.1 | T634 E636 E637 A815 M816 S817 | T634-D813 PolarHBondContact OG1-OD2 3.06Å; E636-D813 HydrophobicContact CB-CB 3.71Å; E637-D813 VanDerWaalsContact CA-OD2 3.27Å; E637-D813 WeakPolarHBondContact CA-OD2 3.38Å; E637-D813 WeakPolarHBondContact CB-OD2 3.44Å; E637-D813 WeakPolarHBondContact CG-OD1 3.5Å; E637-D813 WeakPolarHBondContact CG-OD2 3.37Å; E637-D813 PolarHBondContact N-OD2 3.42Å; D813-A815 PolarHBondContact O-N 3.33Å; D813-M816 PolarHBondContact O-N 3.06Å; D813-M816 WeakPolarHBondContact OD1-CE 3.14Å; D813-S817 WeakPolarHBondContact O-CB 3.39Å; D813-S817 PolarHBondContact O-N 3.32Å; D813-S817 PolarHBondContact O-OG 2.99Å |
| 814 | S | 63.2 | Low | 61 | Low | 19 Ų | 19 | 34.5 Ų | 34.5 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.8 | -45.2 | 163.6 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | E636 C793 L818 | E636-S814 WeakPolarHBondContact OE2-CB 3.4Å; E636-S814 PolarHBondContact OE2-N 3.25Å; C793-S814 PolarHBondContact O-OG 2.96Å; S814-L818 WeakPolarHBondContact O-CB 3.44Å; S814-L818 PolarHBondContact O-N 2.9Å |
| 815 | A | 63.8 | Low | 63.6 | Low | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M673 T730 G811 V812 D813 L818 I819 | M673-A815 HydrophobicContact CE-CB 3.65Å; T730-A815 HydrophobicContact CG2-CB 3.4Å; T730-A815 VanDerWaalsContact CG2-CB 3.4Å; G811-A815 WeakPolarHBondContact O-CB 3.45Å; G811-A815 PolarHBondContact O-N 3.27Å; G811-A815 VanDerWaalsContact O-N 3.15Å; V812-A815 CarbonylContact O-C 3.55Å; V812-A815 WeakPolarHBondContact O-CA 3.38Å; V812-A815 WeakPolarHBondContact O-CB 3.04Å; V812-A815 PolarHBondContact O-N 3Å; D813-A815 PolarHBondContact O-N 3.33Å; A815-L818 WeakPolarHBondContact O-CB 3.39Å; A815-L818 PolarHBondContact O-N 2.9Å; A815-I819 VanDerWaalsContact O-CD1 3.27Å; A815-I819 WeakPolarHBondContact O-CD1 3.39Å; A815-I819 WeakPolarHBondContact O-CG1 3.37Å; A815-I819 PolarHBondContact O-N 3.01Å |
| 816 | M | 65.4 | Low | 66.2 | Low | 32 Ų | 32 | 26.3 Ų | 26.3 | 16% | 0.158 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.7 | -44.3 | 178.4 | -73.1 | -171.1 | -61.6 | 0 | 0 | 111.8 | K683 Q687 V812 D813 L818 I819 Q820 | K683-M816 HydrophobicContact CB-SD 4.09Å; Q687-M816 HydrophobicContact CG-CG 4.45Å; V812-M816 HydrophobicContact CG1-CE 4.12Å; V812-M816 HydrophobicContact CG1-CG 4.43Å; V812-M816 HydrophobicContact CG1-SD 4.44Å; V812-M816 VanDerWaalsContact O-CG 3.31Å; V812-M816 WeakPolarHBondContact O-CG 3.27Å; V812-M816 PolarHBondContact O-N 3.43Å; D813-M816 PolarHBondContact O-N 3.06Å; D813-M816 WeakPolarHBondContact OD1-CE 3.14Å; M816-L818 VanDerWaalsContact C-N 3.31Å; M816-L818 PolarHBondContact O-N 3.31Å; M816-I819 PolarHBondContact O-N 3.47Å; M816-Q820 WeakPolarHBondContact O-CB 3.48Å; M816-Q820 PolarHBondContact O-N 3.41Å |
| 817 | S | 73.5 | Confident | 68.7 | Low | 62 Ų | 62 | 22.7 Ų | 22.7 | 43% | 0.434 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -62.3 | -38.7 | 173.1 | -63 | 0 | 0 | 0 | 0 | 111.5 | D813 Q820 A821 | D813-S817 WeakPolarHBondContact O-CB 3.39Å; D813-S817 PolarHBondContact O-N 3.32Å; D813-S817 PolarHBondContact O-OG 2.99Å; S817-Q820 PolarHBondContact O-N 2.93Å; S817-A821 VanDerWaalsContact O-CB 3.22Å; S817-A821 WeakPolarHBondContact O-CB 3.37Å; S817-A821 PolarHBondContact O-N 3.48Å |
| 818 | L | 80.4 | Confident | 71.1 | Confident | 7 Ų | 7 | 20 Ų | 20 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 172.7 | -165.4 | 82.3 | 0 | 0 | 0 | 111.3 | M726 T730 V742 L790 C793 S814 A815 M816 A822 | M726-L818 HydrophobicContact CB-CD2 4.3Å; M726-L818 HydrophobicContact CE-CD1 3.64Å; M726-L818 HydrophobicContact CE-CD2 4.14Å; M726-L818 HydrophobicContact CE-CG 4.11Å; T730-L818 HydrophobicContact CG2-CD2 4.05Å; V742-L818 HydrophobicContact CG1-CD2 4.1Å; L790-L818 HydrophobicContact CD1-CD1 3.79Å; L790-L818 HydrophobicContact CD1-CG 4.03Å; L790-L818 WeakPolarHBondContact CD1-O 3.31Å; L790-L818 HydrophobicContact CG-CD1 4.39Å; C793-L818 HydrophobicContact CB-CB 4.21Å; C793-L818 HydrophobicContact CB-CD1 3.7Å; S814-L818 WeakPolarHBondContact O-CB 3.44Å; S814-L818 PolarHBondContact O-N 2.9Å; A815-L818 WeakPolarHBondContact O-CB 3.39Å; A815-L818 PolarHBondContact O-N 2.9Å; M816-L818 VanDerWaalsContact C-N 3.31Å; M816-L818 PolarHBondContact O-N 3.31Å; L818-A822 WeakPolarHBondContact O-CB 3.32Å; L818-A822 PolarHBondContact O-N 3.25Å |
| 819 | I | 77.1 | Confident | 73.5 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.1 | -65.3 | 154.9 | 0 | 0 | 0 | 110.7 | I684 Q687 V688 F691 T727 T730 A815 M816 A822 K823 | I684-I819 HydrophobicContact CG2-CD1 4.02Å; Q687-I819 HydrophobicContact CB-CB 4.39Å; Q687-I819 HydrophobicContact CB-CD1 4.29Å; Q687-I819 HydrophobicContact CB-CG2 3.83Å; Q687-I819 WeakPolarHBondContact O-CG2 3.24Å; V688-I819 HydrophobicContact CG2-CD1 3.84Å; V688-I819 HydrophobicContact CG2-CG1 4.23Å; V688-I819 HydrophobicContact CG2-CG2 4.42Å; F691-I819 HydrophobicContact CB-CG2 4.08Å; T727-I819 HydrophobicContact CG2-CG1 4.19Å; T727-I819 HydrophobicContact CG2-CG2 4.45Å; T730-I819 HydrophobicContact CG2-CD1 4.35Å; T730-I819 HydrophobicContact CG2-CG1 4.3Å; A815-I819 VanDerWaalsContact O-CD1 3.27Å; A815-I819 WeakPolarHBondContact O-CD1 3.39Å; A815-I819 WeakPolarHBondContact O-CG1 3.37Å; A815-I819 PolarHBondContact O-N 3.01Å; M816-I819 PolarHBondContact O-N 3.47Å; I819-A822 CarbonylContact O-C 3.52Å; I819-A822 PolarHBondContact O-N 2.9Å; I819-K823 WeakPolarHBondContact O-CB 3.35Å; I819-K823 PolarHBondContact O-N 3.02Å |
| 820 | Q | 76.5 | Confident | 75.7 | Confident | 59 Ų | 59 | 17.3 Ų | 17.3 | 28% | 0.276 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -69.3 | -42.3 | -179 | -177.3 | 55.9 | 49.9 | 0 | 0 | 111.8 | M816 S817 A822 K823 N824 | M816-Q820 WeakPolarHBondContact O-CB 3.48Å; M816-Q820 PolarHBondContact O-N 3.41Å; S817-Q820 PolarHBondContact O-N 2.93Å; Q820-A822 VanDerWaalsContact C-N 3.34Å; Q820-K823 PolarHBondContact O-N 3.47Å; Q820-N824 PolarHBondContact NE2-ND2 2.81Å; Q820-N824 PolarHBondContact NE2-OD1 3.29Å; Q820-N824 WeakPolarHBondContact O-CB 3.49Å; Q820-N824 VanDerWaalsContact O-CG 3.26Å; Q820-N824 PolarHBondContact O-N 2.89Å; Q820-N824 PolarHBondContact O-ND2 3.45Å |
| 821 | A | 82.8 | Confident | 77.7 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62 | -41.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q789 L790 S817 N824 L825 | Q789-A821 HydrophobicContact CB-CB 4.13Å; L790-A821 HydrophobicContact CB-CB 4.29Å; L790-A821 HydrophobicContact CD1-CB 3.97Å; S817-A821 VanDerWaalsContact O-CB 3.22Å; S817-A821 WeakPolarHBondContact O-CB 3.37Å; S817-A821 PolarHBondContact O-N 3.48Å; A821-N824 PolarHBondContact O-N 3.47Å; A821-L825 VanDerWaalsContact O-CB 3.28Å; A821-L825 WeakPolarHBondContact O-CB 3.36Å; A821-L825 PolarHBondContact O-N 3.42Å |
| 822 | A | 87.2 | Confident | 79.7 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.9 | -38.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F691 M723 T727 L790 L818 I819 Q820 L825 M826 | F691-A822 HydrophobicContact CD2-CB 4.21Å; F691-A822 HydrophobicContact CE2-CB 3.92Å; M723-A822 HydrophobicContact CB-CB 4.44Å; M723-A822 HydrophobicContact CG-CB 4.3Å; M723-A822 HydrophobicContact SD-CB 4.33Å; M723-A822 VanDerWaalsContact SD-O 3.33Å; T727-A822 HydrophobicContact CG2-CB 4.32Å; L790-A822 HydrophobicContact CD1-CB 3.99Å; L818-A822 WeakPolarHBondContact O-CB 3.32Å; L818-A822 PolarHBondContact O-N 3.25Å; I819-A822 CarbonylContact O-C 3.52Å; I819-A822 PolarHBondContact O-N 2.9Å; Q820-A822 VanDerWaalsContact C-N 3.34Å; A822-L825 PolarHBondContact O-N 3.46Å; A822-M826 WeakPolarHBondContact O-CB 3.3Å; A822-M826 PolarHBondContact O-N 3.48Å |
| 823 | K | 86.3 | Confident | 81.5 | Confident | 37 Ų | 37 | 19.2 Ų | 19.2 | 16% | 0.161 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.4 | -49.1 | 175.3 | -177.1 | 179.9 | 89.1 | -166.4 | 0 | 111.4 | S690 F691 E694 I819 Q820 L825 M826 N827 | S690-K823 WeakPolarHBondContact OG-CD 3.46Å; S690-K823 PolarHBondContact OG-NZ 3.28Å; F691-K823 HydrophobicContact CB-CB 4.31Å; F691-K823 HydrophobicContact CD2-CB 4.13Å; E694-K823 HydrophobicContact CB-CG 4.32Å; E694-K823 HydrophobicContact CG-CD 4.38Å; E694-K823 HydrophobicContact CG-CG 3.74Å; I819-K823 WeakPolarHBondContact O-CB 3.35Å; I819-K823 PolarHBondContact O-N 3.02Å; Q820-K823 PolarHBondContact O-N 3.47Å; K823-L825 VanDerWaalsContact C-N 3.31Å; K823-L825 PolarHBondContact O-N 2.76Å; K823-M826 WeakPolarHBondContact O-CB 3.38Å; K823-M826 PolarHBondContact O-N 3.27Å; K823-N827 PolarHBondContact O-N 3.14Å |
| 824 | N | 86.2 | Confident | 83.3 | Confident | 43 Ų | 43 | 21.9 Ų | 21.9 | 23% | 0.23 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.5 | -42.7 | 177.5 | -75.6 | -13.7 | 0 | 0 | 0 | 111.4 | Y786 Q820 A821 N827 A828 | Y786-N824 HydrophobicContact CD1-CB 3.59Å; Y786-N824 VanDerWaalsContact CD2-C 3.44Å; Y786-N824 HydrophobicContact CD2-CB 3.77Å; Y786-N824 WeakPolarHBondContact CD2-O 3.44Å; Y786-N824 HydrophobicContact CE1-CB 3.55Å; Y786-N824 HydrophobicContact CE2-CB 3.71Å; Y786-N824 HydrophobicContact CG-CB 3.72Å; Q820-N824 PolarHBondContact NE2-ND2 2.81Å; Q820-N824 PolarHBondContact NE2-OD1 3.29Å; Q820-N824 WeakPolarHBondContact O-CB 3.49Å; Q820-N824 VanDerWaalsContact O-CG 3.26Å; Q820-N824 PolarHBondContact O-N 2.89Å; Q820-N824 PolarHBondContact O-ND2 3.45Å; A821-N824 PolarHBondContact O-N 3.47Å; N824-N827 PolarHBondContact O-N 3.48Å; N824-A828 PolarHBondContact O-N 3.18Å |
| 825 | L | 92.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 174.2 | -176.5 | 56.3 | 0 | 0 | 0 | 111.9 | M719 M723 I749 I783 L790 A821 A822 K823 N827 A828 V829 | M719-L825 HydrophobicContact CE-CD1 4.04Å; M719-L825 HydrophobicContact CE-CD2 4.16Å; M719-L825 HydrophobicContact CE-CG 4.29Å; M723-L825 HydrophobicContact CE-CG 4.29Å; M723-L825 HydrophobicContact SD-CB 3.85Å; M723-L825 HydrophobicContact SD-CD2 3.73Å; M723-L825 HydrophobicContact SD-CG 3.76Å; I749-L825 HydrophobicContact CG2-CD2 3.43Å; I749-L825 VanDerWaalsContact CG2-CD2 3.43Å; I783-L825 HydrophobicContact CB-CD1 4.27Å; I783-L825 HydrophobicContact CG1-CD1 4.25Å; I783-L825 HydrophobicContact CG2-CD1 4.06Å; L790-L825 HydrophobicContact CD2-CD2 4.13Å; A821-L825 VanDerWaalsContact O-CB 3.28Å; A821-L825 WeakPolarHBondContact O-CB 3.36Å; A821-L825 PolarHBondContact O-N 3.42Å; A822-L825 PolarHBondContact O-N 3.46Å; K823-L825 VanDerWaalsContact C-N 3.31Å; K823-L825 PolarHBondContact O-N 2.76Å; L825-N827 PolarHBondContact O-N 3.33Å; L825-A828 PolarHBondContact O-N 3.5Å; L825-V829 HydrophobicContact CD1-CG2 4.2Å; L825-V829 HydrophobicContact CG-CG2 4.41Å; L825-V829 VanDerWaalsContact O-CG2 3.3Å; L825-V829 WeakPolarHBondContact O-CG2 3.49Å; L825-V829 PolarHBondContact O-N 3.29Å |
| 826 | M | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.8 | -50.1 | 176.9 | -169.2 | 69 | 71 | 0 | 0 | 111.2 | F691 E694 K695 L698 C720 M723 A822 K823 A828 V829 V830 | F691-M826 HydrophobicContact CE1-CE 4.3Å; F691-M826 HydrophobicContact CE2-CB 4.33Å; F691-M826 HydrophobicContact CE2-CE 3.46Å; F691-M826 VanDerWaalsContact CE2-CE 3.46Å; F691-M826 HydrophobicContact CZ-CE 3.29Å; E694-M826 HydrophobicContact CB-CB 4.24Å; E694-M826 HydrophobicContact CB-CG 4.05Å; K695-M826 HydrophobicContact CB-CE 4.23Å; K695-M826 HydrophobicContact CG-CE 4.29Å; L698-M826 HydrophobicContact CB-SD 4.11Å; L698-M826 HydrophobicContact CD2-SD 3.31Å; L698-M826 WeakPolarHBondContact CD2-SD 3.44Å; L698-M826 HydrophobicContact CG-SD 4.34Å; C720-M826 HydrophobicContact CB-CE 4.33Å; C720-M826 HydrophobicContact CB-SD 4.28Å; M723-M826 HydrophobicContact CB-CE 4.05Å; M723-M826 HydrophobicContact CE-CB 4.41Å; M723-M826 HydrophobicContact CE-CE 3.64Å; M723-M826 HydrophobicContact CE-SD 3.81Å; M723-M826 HydrophobicContact SD-CB 4.48Å; M723-M826 HydrophobicContact SD-CE 4.14Å; A822-M826 WeakPolarHBondContact O-CB 3.3Å; A822-M826 PolarHBondContact O-N 3.48Å; K823-M826 WeakPolarHBondContact O-CB 3.38Å; K823-M826 PolarHBondContact O-N 3.27Å; M826-A828 PolarHBondContact O-N 3.37Å; M826-V829 PolarHBondContact O-N 2.77Å; M826-V830 WeakPolarHBondContact O-CG2 3.48Å; M826-V830 PolarHBondContact O-N 3.46Å |
| 827 | N | 89.9 | Confident | 86.3 | Confident | 56 Ų | 56 | 24 Ų | 24 | 30% | 0.299 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.6 | -178.7 | 29.7 | 0 | 0 | 0 | 111.8 | E694 K823 N824 L825 V829 V830 Q831 | E694-N827 HydrophobicContact CG-CB 4.47Å; E694-N827 WeakPolarHBondContact OE2-CB 3.46Å; K823-N827 PolarHBondContact O-N 3.14Å; N824-N827 PolarHBondContact O-N 3.48Å; L825-N827 PolarHBondContact O-N 3.33Å; N827-V829 VanDerWaalsContact C-N 3.29Å; N827-V829 PolarHBondContact O-N 2.83Å; N827-V830 WeakPolarHBondContact O-CB 3.33Å; N827-V830 PolarHBondContact O-N 3.02Å; N827-V830 VanDerWaalsContact O-N 3.16Å; N827-Q831 WeakPolarHBondContact O-CG 3.46Å; N827-Q831 PolarHBondContact O-N 3.33Å |
| 828 | A | 90.9 | Very high | 86.7 | Confident | 3 Ų | 3 | 24 Ų | 24 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R782 I783 Y786 N824 L825 M826 T832 | R782-A828 HydrophobicContact CB-CB 3.93Å; I783-A828 HydrophobicContact CG1-CB 3.86Å; Y786-A828 HydrophobicContact CD2-CB 4.01Å; Y786-A828 HydrophobicContact CE2-CB 4.32Å; N824-A828 PolarHBondContact O-N 3.18Å; L825-A828 PolarHBondContact O-N 3.5Å; M826-A828 PolarHBondContact O-N 3.37Å; A828-T832 WeakPolarHBondContact O-CB 3.38Å; A828-T832 PolarHBondContact O-N 3.16Å; A828-T832 PolarHBondContact O-OG1 3.37Å |
| 829 | V | 92.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65 | -44 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | L698 A716 M719 M756 I783 L825 M826 N827 Q831 T832 V833 | L698-V829 HydrophobicContact CD1-CG1 4.15Å; L698-V829 HydrophobicContact CD2-CG1 4.22Å; A716-V829 HydrophobicContact CB-CG1 3.72Å; M719-V829 HydrophobicContact CE-CG2 3.73Å; M719-V829 HydrophobicContact SD-CG2 4.18Å; M756-V829 HydrophobicContact CE-CG1 4.14Å; M756-V829 HydrophobicContact SD-CG1 4.3Å; M756-V829 HydrophobicContact SD-CG2 4.45Å; I783-V829 HydrophobicContact CD1-CG2 4.01Å; I783-V829 HydrophobicContact CG1-CG2 4.23Å; L825-V829 HydrophobicContact CD1-CG2 4.2Å; L825-V829 HydrophobicContact CG-CG2 4.41Å; L825-V829 VanDerWaalsContact O-CG2 3.3Å; L825-V829 WeakPolarHBondContact O-CG2 3.49Å; L825-V829 PolarHBondContact O-N 3.29Å; M826-V829 PolarHBondContact O-N 2.77Å; N827-V829 VanDerWaalsContact C-N 3.29Å; N827-V829 PolarHBondContact O-N 2.83Å; V829-Q831 PolarHBondContact O-N 2.88Å; V829-T832 PolarHBondContact O-N 3.33Å; V829-V833 WeakPolarHBondContact O-CG2 3.48Å; V829-V833 PolarHBondContact O-N 3.42Å |
| 830 | V | 89.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.6 | -50.8 | 175.3 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L698 M826 N827 T832 V833 K834 | L698-V830 HydrophobicContact CB-CG2 3.42Å; L698-V830 VanDerWaalsContact CB-CG2 3.42Å; L698-V830 HydrophobicContact CD1-CB 4.3Å; L698-V830 HydrophobicContact CD1-CG2 3.56Å; L698-V830 HydrophobicContact CG-CG2 4.01Å; M826-V830 WeakPolarHBondContact O-CG2 3.48Å; M826-V830 PolarHBondContact O-N 3.46Å; N827-V830 WeakPolarHBondContact O-CB 3.33Å; N827-V830 PolarHBondContact O-N 3.02Å; N827-V830 VanDerWaalsContact O-N 3.16Å; V830-T832 VanDerWaalsContact C-N 3.33Å; V830-T832 PolarHBondContact O-N 3.38Å; V830-V833 PolarHBondContact O-N 2.84Å; V830-K834 HydrophobicContact CG1-CD 4.37Å; V830-K834 PolarHBondContact O-N 3.37Å; V830-K834 VanDerWaalsContact O-N 3.15Å |
| 831 | Q | 90.8 | Very high | 86.3 | Confident | 54 Ų | 54 | 23.9 Ų | 23.9 | 25% | 0.252 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66.6 | -37.6 | -178 | -60.4 | -58.9 | -16.2 | 0 | 0 | 111.5 | Y779 N827 V829 K834 A835 | Y779-Q831 HydrophobicContact CD1-CB 3.48Å; Y779-Q831 VanDerWaalsContact CD1-CB 3.48Å; Y779-Q831 HydrophobicContact CD1-CG 4.13Å; Y779-Q831 HydrophobicContact CD2-CB 3.82Å; Y779-Q831 HydrophobicContact CE1-CB 3.52Å; Y779-Q831 HydrophobicContact CE1-CG 3.8Å; Y779-Q831 HydrophobicContact CE2-CB 3.87Å; Y779-Q831 HydrophobicContact CG-CB 3.65Å; N827-Q831 WeakPolarHBondContact O-CG 3.46Å; N827-Q831 PolarHBondContact O-N 3.33Å; V829-Q831 PolarHBondContact O-N 2.88Å; Q831-K834 PolarHBondContact O-N 3.29Å; Q831-A835 VanDerWaalsContact O-CB 3.29Å; Q831-A835 WeakPolarHBondContact O-CB 3.41Å; Q831-A835 PolarHBondContact O-N 2.73Å |
| 832 | T | 90.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | 175.4 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | M756 L776 Y779 L780 I783 A828 V829 V830 S836 | M756-T832 HydrophobicContact CG-CG2 4.37Å; M756-T832 HydrophobicContact SD-CG2 4.15Å; L776-T832 HydrophobicContact CD1-CG2 4.16Å; Y779-T832 VanDerWaalsContact CB-OG1 3.32Å; Y779-T832 WeakPolarHBondContact CB-OG1 3.3Å; L780-T832 HydrophobicContact CD2-CG2 3.52Å; L780-T832 HydrophobicContact CG-CG2 4.43Å; I783-T832 HydrophobicContact CD1-CG2 3.91Å; I783-T832 WeakPolarHBondContact CD1-OG1 3.25Å; A828-T832 WeakPolarHBondContact O-CB 3.38Å; A828-T832 PolarHBondContact O-N 3.16Å; A828-T832 PolarHBondContact O-OG1 3.37Å; V829-T832 PolarHBondContact O-N 3.33Å; V830-T832 VanDerWaalsContact C-N 3.33Å; V830-T832 PolarHBondContact O-N 3.38Å; T832-S836 WeakPolarHBondContact O-CB 3.3Å; T832-S836 PolarHBondContact O-N 3.49Å; T832-S836 PolarHBondContact O-OG 3.18Å |
| 833 | V | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | E701 I712 I713 A716 V829 V830 S836 Y837 W859 | E701-V833 HydrophobicContact CG-CG1 4.26Å; I712-V833 HydrophobicContact CG2-CG2 4.02Å; I713-V833 HydrophobicContact CD1-CG1 3.59Å; A716-V833 HydrophobicContact CB-CG2 3.79Å; V829-V833 WeakPolarHBondContact O-CG2 3.48Å; V829-V833 PolarHBondContact O-N 3.42Å; V830-V833 PolarHBondContact O-N 2.84Å; V833-S836 PolarHBondContact O-N 3.23Å; V833-Y837 PolarHBondContact O-N 2.83Å; V833-Y837 VanDerWaalsContact O-N 3.13Å; V833-W859 HydrophobicContact CG1-CH2 4.09Å; V833-W859 HydrophobicContact CG1-CZ3 4.27Å; V833-W859 VanDerWaalsContact O-CH2 3.31Å; V833-W859 WeakPolarHBondContact O-CH2 3.32Å |
| 834 | K | 88.7 | Confident | 82.7 | Confident | 78 Ų | 78 | 34.6 Ų | 34.6 | 34% | 0.339 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.9 | -50.2 | 178.4 | -71.4 | 177.9 | 177.8 | 176 | 0 | 112.1 | E701 V830 Q831 S836 Y837 V838 | E701-K834 HydrophobicContact CG-CG 3.84Å; E701-K834 WeakPolarHBondContact OE2-CE 3.48Å; V830-K834 HydrophobicContact CG1-CD 4.37Å; V830-K834 PolarHBondContact O-N 3.37Å; V830-K834 VanDerWaalsContact O-N 3.15Å; Q831-K834 PolarHBondContact O-N 3.29Å; K834-S836 VanDerWaalsContact C-N 3.32Å; K834-S836 PolarHBondContact O-N 2.9Å; K834-Y837 WeakPolarHBondContact O-CB 3.24Å; K834-Y837 PolarHBondContact O-N 2.8Å; K834-V838 WeakPolarHBondContact O-CG2 3.38Å; K834-V838 PolarHBondContact O-N 2.84Å; K834-V838 VanDerWaalsContact O-N 3.13Å |
| 835 | A | 87.4 | Confident | 81.1 | Confident | 11 Ų | 11 | 42 Ų | 42 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -36.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L776 Y779 Q831 Y837 V838 A839 | L776-A835 HydrophobicContact CB-CB 4.1Å; L776-A835 HydrophobicContact CD1-CB 3.99Å; Y779-A835 HydrophobicContact CD2-CB 4Å; Y779-A835 HydrophobicContact CE2-CB 4.31Å; Q831-A835 VanDerWaalsContact O-CB 3.29Å; Q831-A835 WeakPolarHBondContact O-CB 3.41Å; Q831-A835 PolarHBondContact O-N 2.73Å; A835-Y837 VanDerWaalsContact C-N 3.35Å; A835-Y837 PolarHBondContact O-N 2.97Å; A835-V838 PolarHBondContact O-N 3.02Å; A835-A839 VanDerWaalsContact O-CB 3.3Å; A835-A839 WeakPolarHBondContact O-CB 3.35Å; A835-A839 PolarHBondContact O-N 3.15Å |
| 836 | S | 83.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 175.9 | -63 | 0 | 0 | 0 | 0 | 112 | L776 T832 V833 K834 S840 | L776-S836 VanDerWaalsContact CD1-OG 3.3Å; L776-S836 WeakPolarHBondContact CD1-OG 3.11Å; T832-S836 WeakPolarHBondContact O-CB 3.3Å; T832-S836 PolarHBondContact O-N 3.49Å; T832-S836 PolarHBondContact O-OG 3.18Å; V833-S836 PolarHBondContact O-N 3.23Å; K834-S836 VanDerWaalsContact C-N 3.32Å; K834-S836 PolarHBondContact O-N 2.9Å; S836-S840 VanDerWaalsContact O-CB 3.3Å; S836-S840 WeakPolarHBondContact O-CB 3.41Å; S836-S840 PolarHBondContact O-N 3.49Å; S836-S840 PolarHBondContact O-OG 3.12Å |
| 837 | Y | 84.8 | Confident | 76.7 | Confident | 87 Ų | 87 | 51.3 Ų | 51.3 | 34% | 0.341 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -53.5 | 172.9 | 170.2 | -113 | 0 | 0 | 0 | 111 | W705 V833 K834 A835 A839 S840 T841 W859 | W705-Y837 HydrophobicContact CH2-CD1 4.1Å; W705-Y837 AromaticContact CH2-CD2 3.4Å; W705-Y837 HydrophobicContact CH2-CD2 3.4Å; W705-Y837 AromaticContact CH2-CE1 3.96Å; W705-Y837 HydrophobicContact CH2-CE1 3.96Å; W705-Y837 AromaticContact CH2-CE2 3.24Å; W705-Y837 HydrophobicContact CH2-CE2 3.24Å; W705-Y837 AromaticContact CH2-CG 3.83Å; W705-Y837 HydrophobicContact CH2-CG 3.83Å; W705-Y837 AromaticContact CH2-CZ 3.53Å; W705-Y837 AromaticContact CZ2-CD1 3.97Å; W705-Y837 HydrophobicContact CZ2-CD1 3.97Å; W705-Y837 AromaticContact CZ2-CD2 3.82Å; W705-Y837 HydrophobicContact CZ2-CD2 3.82Å; W705-Y837 HydrophobicContact CZ2-CE1 4.18Å; W705-Y837 HydrophobicContact CZ2-CE2 4.05Å; W705-Y837 AromaticContact CZ2-CG 3.77Å; W705-Y837 HydrophobicContact CZ2-CG 3.77Å; W705-Y837 HydrophobicContact CZ3-CD2 4.04Å; W705-Y837 AromaticContact CZ3-CE2 3.86Å; W705-Y837 HydrophobicContact CZ3-CE2 3.86Å; V833-Y837 PolarHBondContact O-N 2.83Å; V833-Y837 VanDerWaalsContact O-N 3.13Å; K834-Y837 WeakPolarHBondContact O-CB 3.24Å; K834-Y837 PolarHBondContact O-N 2.8Å; A835-Y837 VanDerWaalsContact C-N 3.35Å; A835-Y837 PolarHBondContact O-N 2.97Å; Y837-A839 VanDerWaalsContact C-N 3.33Å; Y837-A839 PolarHBondContact O-N 2.84Å; Y837-S840 PolarHBondContact O-N 2.8Å; Y837-S840 VanDerWaalsContact O-N 3.14Å; Y837-S840 PolarHBondContact O-OG 2.65Å; Y837-T841 HydrophobicContact CD2-CG2 3.99Å; Y837-T841 HydrophobicContact CE1-CG2 4.32Å; Y837-T841 HydrophobicContact CE2-CG2 3.44Å; Y837-T841 VanDerWaalsContact CE2-CG2 3.44Å; Y837-T841 WeakPolarHBondContact O-CG2 3.37Å; Y837-T841 PolarHBondContact O-N 3.42Å; Y837-T841 VanDerWaalsContact O-N 3.07Å; Y837-W859 HydrophobicContact CD2-CB 4.03Å; Y837-W859 AromaticContact CD2-CD2 3.75Å; Y837-W859 HydrophobicContact CD2-CD2 3.75Å; Y837-W859 AromaticContact CD2-CE3 3.85Å; Y837-W859 HydrophobicContact CD2-CE3 3.85Å; Y837-W859 AromaticContact CD2-CG 3.83Å; Y837-W859 HydrophobicContact CD2-CG 3.83Å; Y837-W859 HydrophobicContact CE2-CB 4.28Å; Y837-W859 HydrophobicContact CG-CD2 4.39Å; Y837-W859 HydrophobicContact CG-CE3 4.26Å |
| 838 | V | 83.5 | Confident | 74.6 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 38% | 0.382 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.8 | -48.1 | -179.2 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | C772 K834 A835 S840 T841 K842 | C772-V838 VanDerWaalsContact SG-CG1 3.57Å; K834-V838 WeakPolarHBondContact O-CG2 3.38Å; K834-V838 PolarHBondContact O-N 2.84Å; K834-V838 VanDerWaalsContact O-N 3.13Å; A835-V838 PolarHBondContact O-N 3.02Å; V838-S840 VanDerWaalsContact C-N 3.34Å; V838-S840 PolarHBondContact O-N 3.35Å; V838-T841 PolarHBondContact O-N 3.3Å; V838-T841 PolarHBondContact O-OG1 3.28Å; V838-K842 PolarHBondContact O-N 3.47Å |
| 839 | A | 77.3 | Confident | 72.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I763 C767 C772 L776 A835 Y837 T841 K842 Y843 | I763-A839 HydrophobicContact CG2-CB 3.67Å; C767-A839 HydrophobicContact CB-CB 4.09Å; C772-A839 VanDerWaalsContact SG-CA 3.57Å; C772-A839 PolarHBondContact SG-N 3.47Å; C772-A839 VanDerWaalsContact SG-N 3.4Å; L776-A839 HydrophobicContact CD2-CB 3.88Å; A835-A839 VanDerWaalsContact O-CB 3.3Å; A835-A839 WeakPolarHBondContact O-CB 3.35Å; A835-A839 PolarHBondContact O-N 3.15Å; Y837-A839 VanDerWaalsContact C-N 3.33Å; Y837-A839 PolarHBondContact O-N 2.84Å; A839-T841 PolarHBondContact O-N 2.86Å; A839-K842 PolarHBondContact O-N 3.13Å; A839-Y843 PolarHBondContact O-N 3.22Å |
| 840 | S | 74.6 | Confident | 69.6 | Low | 15 Ų | 15 | 65.8 Ų | 65.8 | 11% | 0.105 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.5 | -31.5 | 179.4 | 73.7 | 0 | 0 | 0 | 0 | 114.1 | S836 Y837 V838 Y843 Q844 W859 | S836-S840 VanDerWaalsContact O-CB 3.3Å; S836-S840 WeakPolarHBondContact O-CB 3.41Å; S836-S840 PolarHBondContact O-N 3.49Å; S836-S840 PolarHBondContact O-OG 3.12Å; Y837-S840 PolarHBondContact O-N 2.8Å; Y837-S840 VanDerWaalsContact O-N 3.14Å; Y837-S840 PolarHBondContact O-OG 2.65Å; V838-S840 VanDerWaalsContact C-N 3.34Å; V838-S840 PolarHBondContact O-N 3.35Å; S840-Y843 WeakPolarHBondContact O-CB 3.36Å; S840-Y843 PolarHBondContact O-N 3.08Å; S840-Q844 PolarHBondContact O-N 3.28Å; S840-W859 PolarHBondContact OG-NE1 3.18Å |
| 841 | T | 72.1 | Confident | 67.2 | Low | 48 Ų | 48 | 69.8 Ų | 69.8 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.8 | -31.9 | 176.7 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | Y837 V838 A839 Y843 | Y837-T841 HydrophobicContact CD2-CG2 3.99Å; Y837-T841 HydrophobicContact CE1-CG2 4.32Å; Y837-T841 HydrophobicContact CE2-CG2 3.44Å; Y837-T841 VanDerWaalsContact CE2-CG2 3.44Å; Y837-T841 WeakPolarHBondContact O-CG2 3.37Å; Y837-T841 PolarHBondContact O-N 3.42Å; Y837-T841 VanDerWaalsContact O-N 3.07Å; V838-T841 PolarHBondContact O-N 3.3Å; V838-T841 PolarHBondContact O-OG1 3.28Å; A839-T841 PolarHBondContact O-N 2.86Å; T841-Y843 VanDerWaalsContact C-N 3.31Å |
| 842 | K | 69.2 | Low | 64.7 | Low | 77 Ų | 77 | 74 Ų | 74 | 34% | 0.335 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.3 | -28.5 | 175 | -67.8 | -163.2 | 177.2 | -171.7 | 0 | 112.1 | P768 D769 V838 A839 | P768-K842 HydrophobicContact CG-CB 4.46Å; D769-K842 HydrophobicContact CB-CD 3.4Å; D769-K842 VanDerWaalsContact CB-CD 3.4Å; D769-K842 IonicContact OD1-NZ 3.87Å; D769-K842 PolarHBondContact OD1-NZ 3.11Å; D769-K842 IonicContact OD2-NZ 2.65Å; D769-K842 PolarHBondContact OD2-NZ 3.2Å; V838-K842 PolarHBondContact O-N 3.47Å; A839-K842 PolarHBondContact O-N 3.13Å |
| 843 | Y | 57.6 | Low | 62.4 | Low | 48 Ų | 48 | 80.7 Ų | 80.7 | 19% | 0.188 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 172.9 | 176.8 | -118 | 0 | 0 | 0 | 113 | H766 A839 S840 T841 K845 S846 | H766-Y843 HydrophobicContact CB-CD2 3.61Å; H766-Y843 HydrophobicContact CB-CE2 3.66Å; H766-Y843 HydrophobicContact CB-CG 4.11Å; H766-Y843 AromaticContact CD2-CE2 3.62Å; H766-Y843 AromaticContact CD2-CZ 3.78Å; H766-Y843 AromaticContact CG-CE2 3.97Å; H766-Y843 WeakPolarHBondContact O-CD2 3.41Å; A839-Y843 PolarHBondContact O-N 3.22Å; S840-Y843 WeakPolarHBondContact O-CB 3.36Å; S840-Y843 PolarHBondContact O-N 3.08Å; T841-Y843 VanDerWaalsContact C-N 3.31Å; Y843-K845 PolarHBondContact O-N 2.84Å; Y843-K845 VanDerWaalsContact O-N 3.14Å; Y843-S846 PolarHBondContact O-N 2.89Å |
| 844 | Q | 54.1 | Low | 60.4 | Low | 142 Ų | 142 | 87.6 Ų | 87.6 | 66% | 0.664 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.9 | -21.1 | -178 | -77.7 | -179.5 | -29.1 | 0 | 0 | 114.8 | S840 | S840-Q844 PolarHBondContact O-N 3.28Å |
| 845 | K | 51.9 | Low | 58.6 | Low | 198 Ų | 198 | 86.7 Ų | 86.7 | 86% | 0.861 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -17.4 | -177.5 | -127.5 | 179.5 | -177.5 | -178.1 | 0 | 113.8 | Y843 | Y843-K845 PolarHBondContact O-N 2.84Å; Y843-K845 VanDerWaalsContact O-N 3.14Å |
| 846 | S | 44.6 | Very low | 57 | Low | 82 Ų | 82 | 89.2 Ų | 89.2 | 57% | 0.573 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -32.8 | -169.6 | -169 | 0 | 0 | 0 | 0 | 113.6 | Y843 | Y843-S846 PolarHBondContact O-N 2.89Š|
| 847 | Q | 47.6 | Very low | 55.9 | Low | 115 Ų | 115 | 89.4 Ų | 89.4 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -106.9 | 108.7 | 171.9 | -71.2 | -177.2 | -3.4 | 0 | 0 | 108.7 | ||
| 848 | G | 44.4 | Very low | 55.2 | Low | 64 Ų | 64 | 87 Ų | 87 | 66% | 0.66 | 50% | 0.498 | S | S | * | . | trans | -50.6 | 155.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A850 | G848-A850 PolarHBondContact O-N 3.47Š| ||
| 849 | M | 41.5 | Very low | 54.8 | Low | 199 Ų | 199 | 86.1 Ų | 86.1 | 98% | 0.98 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -52.3 | 23.3 | -166.1 | -140.1 | 170.1 | 165.9 | 0 | 0 | 118.8 | ||
| 850 | A | 39.1 | Very low | 54.7 | Low | 99 Ų | 99 | 91.7 Ų | 91.7 | 82% | 0.818 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -113.5 | 0.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | G848 | G848-A850 PolarHBondContact O-N 3.47Š|
| 851 | S | 38.2 | Very low | 54.5 | Low | 86 Ų | 86 | 97.7 Ų | 97.7 | 60% | 0.601 | 54% | 0.54 | S | S | * | . | trans | -146.5 | 89 | 166.9 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | N853 | S851-N853 PolarHBondContact O-N 3.29Š| ||
| 852 | L | 38.4 | Very low | 54.4 | Low | 142 Ų | 142 | 100.2 Ų | 100.2 | 74% | 0.743 | 55% | 0.547 | S | S | * | . | trans | -73 | 84.6 | 175.2 | -87.3 | 146.9 | 0 | 0 | 0 | 110.9 | ||||
| 853 | N | 43.4 | Very low | 53.9 | Low | 140 Ų | 140 | 100.3 Ų | 100.3 | 75% | 0.749 | 56% | 0.562 | S | S | * | * | trans | -81.9 | 109.6 | 140.1 | -84.6 | -26.4 | 0 | 0 | 0 | 105.7 | S851 | S851-N853 PolarHBondContact O-N 3.29Š| ||
| 854 | L | 47.4 | Very low | 53.6 | Low | 146 Ų | 146 | 104.1 Ų | 104.1 | 76% | 0.764 | 59% | 0.592 | S | S | * | * | trans | -54.6 | 135.8 | -179.4 | -73.1 | 108.3 | 0 | 0 | 0 | 109.7 | A856 | L854-A856 PolarHBondContact O-N 3.21Š| ||
| 855 | P | 51.2 | Low | 53.4 | Low | 58 Ų | 58 | 104.1 Ų | 104.1 | 38% | 0.377 | 59% | 0.592 | S | S | . | * | trans | -58.4 | 141.9 | 171.6 | 25.8 | -32.8 | 0 | 0 | 0 | 109.1 | V857 | P855-V857 PolarHBondContact O-N 3.46Š| ||
| 856 | A | 52.2 | Low | 53 | Low | 64 Ų | 64 | 103.5 Ų | 103.5 | 53% | 0.529 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -57.3 | -17.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L759 L854 | L759-A856 HydrophobicContact CD2-CB 4.31Å; L854-A856 PolarHBondContact O-N 3.21Å |
| 857 | V | 61.8 | Low | 53.2 | Low | 5 Ų | 5 | 108 Ų | 108 | 3% | 0.03 | 60% | 0.598 | C | S | . | * | S | Bend | trans | -137.1 | 142.1 | 174.5 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | D711 I712 L759 I763 P855 | D711-V857 HydrophobicContact CB-CG1 4.28Å; I712-V857 HydrophobicContact CD1-CG1 4.46Å; I712-V857 HydrophobicContact CD1-CG2 4.29Å; I712-V857 HydrophobicContact CG1-CG1 4.21Å; L759-V857 HydrophobicContact CD2-CG1 4.42Å; I763-V857 HydrophobicContact CD1-CG2 3.61Å; I763-V857 HydrophobicContact CG1-CG2 4.36Å; P855-V857 PolarHBondContact O-N 3.46Å |
| 858 | S | 69.8 | Low | 52.5 | Low | 37 Ų | 37 | 107.2 Ų | 107.2 | 26% | 0.259 | 60% | 0.603 | S | S | . | * | trans | -105.9 | 124.7 | 178.8 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | G709 N710 K860 | G709-S858 PolarHBondContact O-N 2.92Å; G709-S858 PolarHBondContact O-OG 2.91Å; N710-S858 WeakPolarHBondContact CB-O 2.98Å; N710-S858 PolarHBondContact ND2-O 2.82Å; N710-S858 VanDerWaalsContact ND2-O 3.13Å; S858-K860 PolarHBondContact O-N 3.34Å | ||
| 859 | W | 74.1 | Confident | 52.3 | Low | 44 Ų | 44 | 112.5 Ų | 112.5 | 17% | 0.167 | 62% | 0.616 | C | S | . | * | trans | -93.6 | 99.7 | 177.5 | -66.2 | 93.7 | 0 | 0 | 0 | 110 | W705 I712 I713 V833 Y837 S840 | W705-W859 AromaticContact CD2-CE3 3.67Å; W705-W859 HydrophobicContact CD2-CE3 3.67Å; W705-W859 AromaticContact CD2-CZ3 3.97Å; W705-W859 HydrophobicContact CD2-CZ3 3.97Å; W705-W859 AromaticContact CE2-CE3 3.89Å; W705-W859 AromaticContact CE2-CZ3 3.94Å; W705-W859 HydrophobicContact CE3-CB 4.43Å; W705-W859 AromaticContact CE3-CE3 3.74Å; W705-W859 HydrophobicContact CE3-CE3 3.74Å; W705-W859 HydrophobicContact CE3-CZ3 4.49Å; W705-W859 HydrophobicContact CG-CE3 4.21Å; W705-W859 HydrophobicContact CG-CZ3 4.16Å; W705-W859 HydrophobicContact CH2-CE3 4.28Å; W705-W859 HydrophobicContact CZ2-CE3 4.19Å; W705-W859 HydrophobicContact CZ2-CZ3 4.46Å; W705-W859 HydrophobicContact CZ3-CB 4.12Å; W705-W859 HydrophobicContact CZ3-CE3 4.05Å; I712-W859 HydrophobicContact CG2-CH2 4.45Å; I713-W859 HydrophobicContact CD1-CH2 4.32Å; I713-W859 HydrophobicContact CD1-CZ3 3.91Å; I713-W859 HydrophobicContact CG1-CZ3 4.21Å; V833-W859 HydrophobicContact CG1-CH2 4.09Å; V833-W859 HydrophobicContact CG1-CZ3 4.27Å; V833-W859 VanDerWaalsContact O-CH2 3.31Å; V833-W859 WeakPolarHBondContact O-CH2 3.32Å; Y837-W859 HydrophobicContact CD2-CB 4.03Å; Y837-W859 AromaticContact CD2-CD2 3.75Å; Y837-W859 HydrophobicContact CD2-CD2 3.75Å; Y837-W859 AromaticContact CD2-CE3 3.85Å; Y837-W859 HydrophobicContact CD2-CE3 3.85Å; Y837-W859 AromaticContact CD2-CG 3.83Å; Y837-W859 HydrophobicContact CD2-CG 3.83Å; Y837-W859 HydrophobicContact CE2-CB 4.28Å; Y837-W859 HydrophobicContact CG-CD2 4.39Å; Y837-W859 HydrophobicContact CG-CE3 4.26Å; S840-W859 PolarHBondContact OG-NE1 3.18Å | ||
| 860 | K | 74.8 | Confident | 51.8 | Low | 117 Ų | 117 | 107.5 Ų | 107.5 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.3 | 175 | -69.5 | 176.3 | -173.6 | 167.4 | 0 | 109.1 | D706 S858 | D706-K860 HydrophobicContact CB-CB 3.98Å; D706-K860 PolarHBondContact N-O 3.33Å; S858-K860 PolarHBondContact O-N 3.34Å |
| 861 | M | 71.2 | Confident | 51.5 | Low | 141 Ų | 141 | 110.3 Ų | 110.3 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.6 | 172.2 | -70.5 | -168.2 | 77.5 | 0 | 0 | 109.8 | K704 W705 | K704-M861 WeakPolarHBondContact O-CA 3.43Å; W705-M861 HydrophobicContact CE3-CG 4.29Å; W705-M861 HydrophobicContact CH2-CG 4.37Å; W705-M861 HydrophobicContact CZ3-CG 3.81Å |
| 862 | K | 69.4 | Low | 51.3 | Low | 101 Ų | 101 | 117.2 Ų | 117.2 | 44% | 0.439 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 140.1 | 173.6 | -161.7 | 172.7 | -179.6 | -176.3 | 0 | 109.5 | K704 E865 | K704-K862 PolarHBondContact O-N 3Å; K862-E865 IonicContact NZ-OE1 3.61Å |
| 863 | A | 58.5 | Low | 51 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 65% | 0.653 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 135.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E865 | A863-E865 PolarHBondContact O-N 2.85Š|
| 864 | P | 52 | Low | 50.6 | Low | 127 Ų | 127 | 120.8 Ų | 120.8 | 83% | 0.825 | 61% | 0.608 | S | S | * | * | trans | -64.8 | 107.9 | -175.3 | 22.7 | -31.4 | 0 | 0 | 0 | 111.1 | ||||
| 865 | E | 50.7 | Low | 49.8 | Very low | 142 Ų | 142 | 121 Ų | 121 | 66% | 0.664 | 61% | 0.605 | S | S | * | * | trans | -64.8 | 147.7 | 175.8 | -73 | -175.8 | -165 | 0 | 0 | 111.6 | K862 A863 K867 | K862-E865 IonicContact NZ-OE1 3.61Å; A863-E865 PolarHBondContact O-N 2.85Å; E865-K867 PolarHBondContact O-N 3.19Å | ||
| 866 | K | 43.7 | Very low | 49.1 | Very low | 185 Ų | 185 | 125.2 Ų | 125.2 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | trans | -70.1 | 95.6 | 174.4 | -65.8 | -174.5 | 179.8 | 172.4 | 0 | 109.2 | ||||
| 867 | K | 47.8 | Very low | 48.2 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 77% | 0.765 | 62% | 0.624 | S | S | * | * | trans | -64.8 | 142.5 | 166.2 | -67.3 | -176.2 | 179.6 | 178.8 | 0 | 110.1 | E865 | E865-K867 PolarHBondContact O-N 3.19Š| ||
| 868 | P | 33.4 | Very low | 46.7 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | trans | -60.9 | 140 | 176.4 | 23.6 | -31.6 | 0 | 0 | 0 | 110.9 | V870 | P868-V870 PolarHBondContact O-N 3.33Š| ||
| 869 | L | 39.3 | Very low | 44.8 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 92% | 0.916 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -63 | -13.4 | -174.8 | -123.4 | 77.2 | 0 | 0 | 0 | 114.2 | ||
| 870 | V | 32.2 | Very low | 42.6 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 57% | 0.57 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -132.8 | 111.1 | 168.1 | 175.5 | 0 | 0 | 0 | 0 | 104.9 | P868 R872 | P868-V870 PolarHBondContact O-N 3.33Å; V870-R872 PolarHBondContact O-N 2.88Å; V870-R872 VanDerWaalsContact O-N 3.15Å |
| 871 | K | 33.1 | Very low | 40.5 | Very low | 158 Ų | 158 | 147 Ų | 147 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | trans | -59.9 | 114 | 150.4 | -94.5 | -177.4 | 170.3 | -172.8 | 0 | 103.8 | E873 | K871-E873 PolarHBondContact O-N 2.91Å; K871-E873 VanDerWaalsContact O-N 3.15Å | ||
| 872 | R | 33.8 | Very low | 38.5 | Very low | 232 Ų | 232 | 148 Ų | 148 | 88% | 0.875 | 74% | 0.739 | S | S | * | * | trans | -51.1 | 124.5 | 148.5 | -80.5 | -177.6 | 177.2 | 174.9 | -1.3 | 103.4 | V870 K874 | V870-R872 PolarHBondContact O-N 2.88Å; V870-R872 VanDerWaalsContact O-N 3.15Å; R872-K874 PolarHBondContact O-N 2.97Å | ||
| 873 | E | 32.3 | Very low | 36.5 | Very low | 182 Ų | 182 | 151.1 Ų | 151.1 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -34.2 | 106.6 | 171.2 | -94.6 | 170.1 | 143.9 | 0 | 0 | 108 | K871 Q875 | K871-E873 PolarHBondContact O-N 2.91Å; K871-E873 VanDerWaalsContact O-N 3.15Å; E873-Q875 VanDerWaalsContact C-N 3.34Å; E873-Q875 PolarHBondContact O-N 2.93Å | ||
| 874 | K | 33.7 | Very low | 35 | Very low | 174 Ų | 174 | 159.6 Ų | 159.6 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | -73.4 | 115.8 | 143.3 | -82.7 | -166.8 | 174.3 | -170.3 | 0 | 101.3 | R872 D876 | R872-K874 PolarHBondContact O-N 2.97Å; K874-D876 PolarHBondContact O-N 3.36Å | ||
| 875 | Q | 31.8 | Very low | 33.7 | Very low | 150 Ų | 150 | 157.7 Ų | 157.7 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -50.7 | 71.2 | 164.3 | -159.8 | 174.2 | 13.6 | 0 | 0 | 108.1 | E873 E877 | E873-Q875 VanDerWaalsContact C-N 3.34Å; E873-Q875 PolarHBondContact O-N 2.93Å; Q875-E877 PolarHBondContact O-N 3.01Å | ||
| 876 | D | 34.9 | Very low | 32.7 | Very low | 148 Ų | 148 | 156.3 Ų | 156.3 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -81.1 | 68.9 | 153.5 | -92.8 | -26.2 | 0 | 0 | 0 | 104.5 | K874 | K874-D876 PolarHBondContact O-N 3.36Š| ||
| 877 | E | 33.3 | Very low | 32.5 | Very low | 106 Ų | 106 | 157.1 Ų | 157.1 | 50% | 0.495 | 78% | 0.775 | S | S | . | * | trans | -119.9 | 116.6 | 160.5 | -88.2 | -175.1 | 129.5 | 0 | 0 | 105 | Q875 Q879 | Q875-E877 PolarHBondContact O-N 3.01Å; E877-Q879 HydrophobicContact CB-CB 4.06Å; E877-Q879 HydrophobicContact CB-CG 3.92Å; E877-Q879 HydrophobicContact CG-CG 4.36Å; E877-Q879 PolarHBondContact O-N 3.12Å; E877-Q879 PolarHBondContact OE1-NE2 2.97Å; E877-Q879 PolarHBondContact OE2-NE2 3.48Å | ||
| 878 | T | 31.3 | Very low | 31.7 | Very low | 157 Ų | 157 | 158.7 Ų | 158.7 | 96% | 0.963 | 78% | 0.781 | S | S | * | * | trans | -58.2 | 59.6 | 145 | 36.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 879 | Q | 29.4 | Very low | 31.7 | Very low | 115 Ų | 115 | 163.2 Ų | 163.2 | 54% | 0.537 | 79% | 0.791 | S | S | . | * | trans | -84.1 | 114.8 | 165.5 | -96.4 | -174.8 | 13.6 | 0 | 0 | 107.5 | E877 K881 | E877-Q879 HydrophobicContact CB-CB 4.06Å; E877-Q879 HydrophobicContact CB-CG 3.92Å; E877-Q879 HydrophobicContact CG-CG 4.36Å; E877-Q879 PolarHBondContact O-N 3.12Å; E877-Q879 PolarHBondContact OE1-NE2 2.97Å; E877-Q879 PolarHBondContact OE2-NE2 3.48Å; Q879-K881 PolarHBondContact O-N 3.4Å | ||
| 880 | T | 29.1 | Very low | 31.4 | Very low | 131 Ų | 131 | 164.1 Ų | 164.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -35.3 | 122.6 | 155 | 15.8 | 0 | 0 | 0 | 0 | 110.6 | I882 | T880-I882 PolarHBondContact O-N 3.36Š| ||
| 881 | K | 29.5 | Very low | 31.5 | Very low | 215 Ų | 215 | 164.2 Ų | 164.2 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | trans | -57.6 | 110.1 | 178.1 | -74.3 | 171.6 | 178 | 168 | 0 | 110.1 | Q879 | Q879-K881 PolarHBondContact O-N 3.4Š| ||
| 882 | I | 28.5 | Very low | 31.5 | Very low | 163 Ų | 163 | 161.5 Ų | 161.5 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -97 | 123.7 | 156.1 | -62.4 | 179.7 | 0 | 0 | 0 | 107.6 | T880 | T880-I882 PolarHBondContact O-N 3.36Š|
| 883 | K | 27.9 | Very low | 31.6 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 134.3 | -179.1 | -79.2 | 179.7 | 172.1 | 179.3 | 0 | 110.7 | E564 A885 | E564-K883 IonicContact OE1-NZ 3.4Å; E564-K883 PolarHBondContact OE1-NZ 2.98Å; K883-A885 PolarHBondContact O-N 3.05Å |
| 884 | R | 26.6 | Very low | 31.7 | Very low | 258 Ų | 258 | 152 Ų | 152 | 97% | 0.974 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 117.9 | 174.8 | -82.8 | 178.6 | 169.9 | 173.9 | -2.2 | 110.8 | ||
| 885 | A | 25.6 | Very low | 31.7 | Very low | 87 Ų | 87 | 149.7 Ų | 149.7 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | -104.8 | 131.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | K883 | K883-A885 PolarHBondContact O-N 3.05Š| ||
| 886 | S | 29.9 | Very low | 32 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | 24 | 116.6 | 156.2 | -7.5 | 0 | 0 | 0 | 0 | 119.4 | K888 | S886-K888 PolarHBondContact O-N 2.67Š| ||
| 887 | Q | 38.4 | Very low | 31.9 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 95% | 0.949 | 75% | 0.747 | S | S | * | * | trans | -44.4 | 117.9 | 167.4 | -69.8 | 175.2 | -13.6 | 0 | 0 | 112.7 | ||||
| 888 | K | 31.4 | Very low | 32 | Very low | 208 Ų | 208 | 144.4 Ų | 144.4 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | trans | -132.7 | 151.4 | 157.4 | -89.9 | -174.8 | 179.7 | 175.3 | 0 | 111.3 | S886 | S886-K888 PolarHBondContact O-N 2.67Š| ||
| 889 | K | 33.6 | Very low | 32 | Very low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 74% | 0.743 | S | S | * | * | trans | -54.9 | 148.6 | -158.6 | -69.2 | 167.8 | 173.2 | 176.4 | 0 | 115 | V891 | K889-V891 PolarHBondContact O-N 2.84Š| ||
| 890 | H | 33.3 | Very low | 32.1 | Very low | 194 Ų | 194 | 148.7 Ų | 148.7 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -51.5 | 110.5 | 172.8 | -155 | -61.9 | 0 | 0 | 0 | 111.1 | ||||
| 891 | V | 33.8 | Very low | 32.5 | Very low | 96 Ų | 96 | 152.3 Ų | 152.3 | 58% | 0.582 | 76% | 0.763 | S | S | * | * | trans | -94.6 | 142 | 174.1 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | K889 Q895 | K889-V891 PolarHBondContact O-N 2.84Å; V891-Q895 HydrophobicContact CG1-CB 4.19Å | ||
| 892 | N | 32.9 | Very low | 32.7 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 54% | 0.535 | 76% | 0.755 | S | S | . | * | trans | -74.1 | 128.8 | -177.9 | -170.7 | -17.9 | 0 | 0 | 0 | 110 | V894 Q895 | N892-V894 PolarHBondContact O-N 2.76Å; N892-Q895 PolarHBondContact O-N 2.91Å | ||
| 893 | P | 35.4 | Very low | 32.9 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -13.8 | -172.6 | 17 | -30.1 | 0 | 0 | 0 | 115.9 | ||
| 894 | V | 36 | Very low | 32.9 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -23.3 | 174.4 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | N892 | N892-V894 PolarHBondContact O-N 2.76Š|
| 895 | Q | 33.8 | Very low | 32.9 | Very low | 126 Ų | 126 | 141 Ų | 141 | 59% | 0.589 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -22.8 | 178.9 | -107.1 | 174.6 | -20.3 | 0 | 0 | 113.8 | V891 N892 L897 S898 | V891-Q895 HydrophobicContact CG1-CB 4.19Å; N892-Q895 PolarHBondContact O-N 2.91Å; Q895-L897 VanDerWaalsContact C-N 3.26Å; Q895-L897 PolarHBondContact O-N 2.94Å; Q895-S898 PolarHBondContact O-N 2.88Å; Q895-S898 PolarHBondContact O-OG 2.67Å |
| 896 | A | 36.4 | Very low | 33.2 | Very low | 60 Ų | 60 | 148.4 Ų | 148.4 | 50% | 0.496 | 79% | 0.785 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | -17.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 897 | L | 33.5 | Very low | 33.3 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11.2 | 177.1 | -78.3 | 161.8 | 0 | 0 | 0 | 113.4 | Q895 | Q895-L897 VanDerWaalsContact C-N 3.26Å; Q895-L897 PolarHBondContact O-N 2.94Å |
| 898 | S | 35.3 | Very low | 33.1 | Very low | 86 Ų | 86 | 147.4 Ų | 147.4 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -88.2 | -4.9 | 177.4 | 47.2 | 0 | 0 | 0 | 0 | 114.7 | Q895 | Q895-S898 PolarHBondContact O-N 2.88Å; Q895-S898 PolarHBondContact O-OG 2.67Å |
| 899 | E | 31.7 | Very low | 33.2 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -96.9 | -3 | -178.2 | -73.3 | -176.2 | 170.5 | 0 | 0 | 114.8 | K901 | E899-K901 PolarHBondContact O-N 2.98Š|
| 900 | F | 31.6 | Very low | 33.1 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -100.2 | 73.1 | 172.9 | -82.3 | -86.5 | 0 | 0 | 0 | 111.8 | ||||
| 901 | K | 38.4 | Very low | 33.1 | Very low | 207 Ų | 207 | 137.8 Ų | 137.8 | 90% | 0.9 | 76% | 0.757 | S | S | * | * | trans | -115.3 | 88.7 | 155.2 | -85.9 | -167.3 | 175.5 | -173.1 | 0 | 109.1 | E899 | E899-K901 PolarHBondContact O-N 2.98Š| ||
| 902 | A | 32.8 | Very low | 33.1 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -158.5 | 72.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 903 | M | 31.8 | Very low | 33.1 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -148.8 | 65.2 | 155.2 | -92.2 | -162.9 | 175.8 | 0 | 0 | 107.8 | ||||
| 904 | D | 29.5 | Very low | 32.9 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -122.8 | 92.3 | 151.8 | -84.1 | -36.3 | 0 | 0 | 0 | 105.3 | ||||
| 905 | S | 25 | Very low | 32.7 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -176.5 | 132.7 | 142.4 | -78.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 906 | I | 32.3 | Very low | 32.6 | Very low | 241 Ų | 241 | 151.6 Ų | 151.6 | 100% | 1.236 | 82% | 0.824 | S | S | * | * | trans | -45.8 | 0 | 162.3 | -69.7 | 158.1 | 0 | 0 | 0 | 112.2 |
Retrieved 906 of 906 residues in 246.7 ms
(Link to these results)