| 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 | 32.2 | Very low | 61.5 | Low | 231 Ų | 231 | 108.5 Ų | 108.5 | 100% | 1.138 | 61% | 0.605 | S | S | * | * | 0 | 121.4 | 0 | -67.3 | -57.7 | -173.6 | 0 | 0 | 108.7 | |||||
| 2 | P | 36.4 | Very low | 63.3 | Low | 127 Ų | 127 | 105.7 Ų | 105.7 | 83% | 0.825 | 59% | 0.588 | S | S | * | * | trans | -62 | 154 | 165.4 | -16.8 | 31.4 | 0 | 0 | 0 | 110.3 | S4 | P2-S4 PolarHBondContact O-N 2.83Š| ||
| 3 | S | 35.4 | Very low | 65.1 | Low | 118 Ų | 118 | 103.7 Ų | 103.7 | 83% | 0.825 | 58% | 0.583 | S | S | * | * | trans | -73.6 | 126.9 | 177.9 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | A5 | S3-A5 PolarHBondContact O-N 3.36Å; S3-A5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | S | 48.4 | Very low | 66.6 | Low | 103 Ų | 103 | 103.7 Ų | 103.7 | 72% | 0.72 | 58% | 0.581 | S | S | * | * | trans | -68 | 109.5 | 173.5 | -179 | 0 | 0 | 0 | 0 | 109.2 | P2 | P2-S4 PolarHBondContact O-N 2.83Š| ||
| 5 | A | 58.2 | Low | 68 | Low | 64 Ų | 64 | 97.8 Ų | 97.8 | 53% | 0.529 | 55% | 0.548 | S | S | . | . | trans | -61.4 | 137.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | S3 | S3-A5 PolarHBondContact O-N 3.36Å; S3-A5 VanDerWaalsContact O-N 3.1Å | ||
| 6 | R | 73.8 | Confident | 69.3 | Low | 214 Ų | 214 | 93.4 Ų | 93.4 | 81% | 0.808 | 53% | 0.528 | S | S | * | . | trans | -63.4 | 146.9 | 174.1 | -76.7 | -177 | 172.6 | 174.8 | -2.4 | 110.4 | G8 S9 | R6-G8 PolarHBondContact O-N 3.36Å; R6-S9 WeakPolarHBondContact O-CB 3.03Å; R6-S9 PolarHBondContact O-N 2.86Å | ||
| 7 | A | 76.5 | Confident | 70.6 | Confident | 22 Ų | 22 | 97.4 Ų | 97.4 | 18% | 0.182 | 54% | 0.541 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.2 | 135.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S9 Y61 S66 N67 W70 | A7-S9 VanDerWaalsContact C-N 3.29Å; A7-S9 PolarHBondContact O-N 3.13Å; A7-Y61 HydrophobicContact CB-CD2 4.08Å; A7-S66 WeakPolarHBondContact CB-O 3.11Å; A7-N67 WeakPolarHBondContact CB-OD1 2.96Å; A7-N67 PolarHBondContact N-OD1 2.94Å; A7-W70 HydrophobicContact CB-CB 3.8Å; A7-W70 HydrophobicContact CB-CG 4.1Å |
| 8 | G | 73.9 | Confident | 71.9 | Confident | 20 Ų | 20 | 92.6 Ų | 92.6 | 21% | 0.206 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 2.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | R6 L10 | R6-G8 PolarHBondContact O-N 3.36Å; G8-L10 PolarHBondContact O-N 2.92Å |
| 9 | S | 79.3 | Confident | 73.1 | Confident | 30 Ų | 30 | 88.3 Ų | 88.3 | 21% | 0.21 | 49% | 0.49 | C | S | . | . | trans | -76.7 | 89.3 | -178.5 | 175.9 | 0 | 0 | 0 | 0 | 112.9 | R6 A7 K11 | R6-S9 WeakPolarHBondContact O-CB 3.03Å; R6-S9 PolarHBondContact O-N 2.86Å; A7-S9 VanDerWaalsContact C-N 3.29Å; A7-S9 PolarHBondContact O-N 3.13Å; S9-K11 PolarHBondContact O-N 3.33Å | ||
| 10 | L | 81.8 | Confident | 74.2 | Confident | 74 Ų | 74 | 89.1 Ų | 89.1 | 39% | 0.387 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 36.6 | 172 | -52 | -172.2 | 0 | 0 | 0 | 114.2 | G8 V15 A16 F19 W70 L96 | G8-L10 PolarHBondContact O-N 2.92Å; L10-V15 HydrophobicContact CD2-CG1 3.92Å; L10-A16 HydrophobicContact CB-CB 4.24Å; L10-F19 HydrophobicContact CD2-CD2 3.78Å; L10-F19 HydrophobicContact CD2-CE2 4.08Å; L10-W70 HydrophobicContact CD2-CH2 4.26Å; L10-W70 HydrophobicContact CD2-CZ2 4.17Å; L10-L96 HydrophobicContact CD1-CD2 3.8Å; L10-L96 HydrophobicContact CD2-CD2 4.07Å; L10-L96 HydrophobicContact CG-CD2 3.98Å |
| 11 | K | 81.1 | Confident | 75 | Confident | 191 Ų | 191 | 94.6 Ų | 94.6 | 83% | 0.83 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -22.3 | 172.5 | -72.3 | -170.3 | 172.9 | -168.7 | 0 | 113 | S9 | S9-K11 PolarHBondContact O-N 3.33Š|
| 12 | D | 83.1 | Confident | 77.9 | Confident | 74 Ų | 74 | 87.8 Ų | 87.8 | 40% | 0.396 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -87.7 | 121 | 175.7 | 176.5 | -4.1 | 0 | 0 | 0 | 108 | D14 V15 A16 | D12-D14 VanDerWaalsContact C-N 3.34Å; D12-D14 PolarHBondContact O-N 3.27Å; D12-D14 PolarHBondContact OD1-N 3.13Å; D12-V15 HydrophobicContact CB-CB 4.06Å; D12-V15 HydrophobicContact CB-CG2 4.1Å; D12-V15 PolarHBondContact O-N 3.34Å; D12-V15 WeakPolarHBondContact OD2-CG2 3.33Å; D12-A16 PolarHBondContact O-N 2.72Å |
| 13 | P | 86.1 | Confident | 80.6 | Confident | 80 Ų | 80 | 83.1 Ų | 83.1 | 52% | 0.519 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | -177.6 | 25.4 | -33.6 | 0 | 0 | 0 | 112.2 | V15 A16 E17 | P13-V15 PolarHBondContact O-N 3.09Å; P13-A16 PolarHBondContact O-N 3.49Å; P13-E17 PolarHBondContact O-N 2.79Å |
| 14 | D | 86.4 | Confident | 83.4 | Confident | 104 Ų | 104 | 77.5 Ų | 77.5 | 56% | 0.556 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.4 | -11.8 | 178.5 | -70.5 | 31 | 0 | 0 | 0 | 113.7 | D12 L18 K78 | D12-D14 VanDerWaalsContact C-N 3.34Å; D12-D14 PolarHBondContact O-N 3.27Å; D12-D14 PolarHBondContact OD1-N 3.13Å; D14-L18 WeakPolarHBondContact O-CG 3.48Å; D14-K78 WeakPolarHBondContact O-CE 3.45Å; D14-K78 PolarHBondContact O-NZ 2.79Å; D14-K78 VanDerWaalsContact O-NZ 3.08Å |
| 15 | V | 87.3 | Confident | 85.6 | Confident | 15 Ų | 15 | 77.7 Ų | 77.7 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -103.4 | -35.9 | 173.2 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | L10 D12 P13 L18 F19 W70 I74 | L10-V15 HydrophobicContact CD2-CG1 3.92Å; D12-V15 HydrophobicContact CB-CB 4.06Å; D12-V15 HydrophobicContact CB-CG2 4.1Å; D12-V15 PolarHBondContact O-N 3.34Å; D12-V15 WeakPolarHBondContact OD2-CG2 3.33Å; P13-V15 PolarHBondContact O-N 3.09Å; V15-L18 WeakPolarHBondContact O-CB 3.46Å; V15-L18 PolarHBondContact O-N 3.04Å; V15-F19 HydrophobicContact CG1-CE2 4.39Å; V15-F19 VanDerWaalsContact O-CD2 3.25Å; V15-F19 WeakPolarHBondContact O-CD2 3.22Å; V15-F19 WeakPolarHBondContact O-CE2 3.39Å; V15-W70 HydrophobicContact CG1-CZ2 3.79Å; V15-I74 HydrophobicContact CG1-CD1 3.84Å; V15-I74 HydrophobicContact CG2-CD1 4.47Å |
| 16 | A | 88.9 | Confident | 87.3 | Confident | 27 Ų | 27 | 81.6 Ų | 81.6 | 22% | 0.223 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.8 | -34.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L10 D12 P13 L18 F19 | L10-A16 HydrophobicContact CB-CB 4.24Å; D12-A16 PolarHBondContact O-N 2.72Å; P13-A16 PolarHBondContact O-N 3.49Å; A16-L18 PolarHBondContact O-N 3.03Å; A16-F19 PolarHBondContact O-N 2.92Å |
| 17 | E | 92.3 | Very high | 88.3 | Confident | 162 Ų | 162 | 72.2 Ų | 72.2 | 76% | 0.757 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.1 | 178.6 | -69.8 | -173 | 173.3 | 0 | 0 | 114.1 | P13 F19 | P13-E17 PolarHBondContact O-N 2.79Å; E17-F19 VanDerWaalsContact C-N 3.31Å |
| 18 | L | 92.9 | Very high | 89.3 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -16.7 | 177.5 | -50.1 | 174.6 | 0 | 0 | 0 | 113.2 | D14 V15 A16 I74 V77 K78 | D14-L18 WeakPolarHBondContact O-CG 3.48Å; V15-L18 WeakPolarHBondContact O-CB 3.46Å; V15-L18 PolarHBondContact O-N 3.04Å; A16-L18 PolarHBondContact O-N 3.03Å; L18-I74 HydrophobicContact CD1-CD1 3.52Å; L18-I74 HydrophobicContact CD1-CG2 4.02Å; L18-V77 HydrophobicContact CB-CG1 4.07Å; L18-K78 HydrophobicContact CD1-CD 4.39Å; L18-K78 VanDerWaalsContact CD1-CE 3.41Å; L18-K78 HydrophobicContact CD1-CG 4.06Å; L18-K78 HydrophobicContact CD2-CD 4.4Å; L18-K78 HydrophobicContact CD2-CG 3.77Å |
| 19 | F | 95.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 72.8 Ų | 72.8 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -122.5 | 128.9 | -173.3 | -56.1 | -82.2 | 0 | 0 | 0 | 112 | L10 V15 A16 E17 W70 I73 I74 C94 L96 A101 | L10-F19 HydrophobicContact CD2-CD2 3.78Å; L10-F19 HydrophobicContact CD2-CE2 4.08Å; V15-F19 HydrophobicContact CG1-CE2 4.39Å; V15-F19 VanDerWaalsContact O-CD2 3.25Å; V15-F19 WeakPolarHBondContact O-CD2 3.22Å; V15-F19 WeakPolarHBondContact O-CE2 3.39Å; A16-F19 PolarHBondContact O-N 2.92Å; E17-F19 VanDerWaalsContact C-N 3.31Å; F19-W70 HydrophobicContact CD2-CH2 4.4Å; F19-W70 HydrophobicContact CE1-CH2 4.29Å; F19-W70 AromaticContact CE2-CH2 3.47Å; F19-W70 HydrophobicContact CE2-CH2 3.47Å; F19-W70 VanDerWaalsContact CE2-CH2 3.47Å; F19-W70 AromaticContact CE2-CZ2 3.89Å; F19-W70 HydrophobicContact CE2-CZ2 3.89Å; F19-W70 HydrophobicContact CE2-CZ3 4.39Å; F19-W70 AromaticContact CZ-CH2 3.4Å; F19-W70 HydrophobicContact CZ-CH2 3.4Å; F19-W70 HydrophobicContact CZ-CZ2 4.13Å; F19-W70 AromaticContact CZ-CZ3 3.87Å; F19-W70 HydrophobicContact CZ-CZ3 3.87Å; F19-I73 HydrophobicContact CE1-CG2 4.49Å; F19-I73 HydrophobicContact CZ-CG2 4.37Å; F19-I74 HydrophobicContact CE2-CD1 3.73Å; F19-I74 HydrophobicContact CZ-CD1 3.83Å; F19-C94 CarbonylContact C-O 3.56Å; F19-C94 WeakPolarHBondContact CA-O 3.27Å; F19-C94 HydrophobicContact CD1-CB 4.02Å; F19-C94 HydrophobicContact CE1-CB 4.3Å; F19-L96 HydrophobicContact CB-CB 4.4Å; F19-L96 HydrophobicContact CD1-CB 4.25Å; F19-L96 HydrophobicContact CD1-CD1 4.23Å; F19-L96 HydrophobicContact CE1-CD1 4.11Å; F19-L96 HydrophobicContact CG-CB 4.36Å; F19-A101 HydrophobicContact CE1-CB 4.15Å |
| 20 | F | 94.6 | Very high | 90.9 | Very high | 103 Ų | 103 | 74.6 Ų | 74.6 | 45% | 0.452 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -65.6 | 139.5 | 168 | -71.7 | -81.3 | 0 | 0 | 0 | 110.5 | E22 C94 Y95 | F20-E22 VanDerWaalsContact C-N 3.27Å; F20-E22 PolarHBondContact O-N 3.34Å; F20-C94 PolarHBondContact N-O 3.04Å; F20-Y95 HydrophobicContact CB-CD1 3.52Å; F20-Y95 HydrophobicContact CB-CE1 3.42Å; F20-Y95 VanDerWaalsContact CB-CE1 3.42Å; F20-Y95 HydrophobicContact CB-CG 4.21Å; F20-Y95 HydrophobicContact CD2-CE1 4.35Å; F20-Y95 HydrophobicContact CD2-CE2 4.34Å; F20-Y95 HydrophobicContact CG-CD1 4.49Å; F20-Y95 HydrophobicContact CG-CE1 4.02Å |
| 21 | K | 91.5 | Very high | 91.5 | Very high | 205 Ų | 205 | 73.9 Ų | 73.9 | 89% | 0.891 | 36% | 0.364 | S | S | * | . | trans | -82.6 | -3 | -175.4 | -60.9 | 173.9 | -176.1 | 170.7 | 0 | 113.5 | ||||
| 22 | E | 93.2 | Very high | 92.1 | Very high | 89 Ų | 89 | 69.3 Ų | 69.3 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -77.6 | 154.7 | -179.4 | -55.8 | -177.9 | 125.1 | 0 | 0 | 111.1 | F20 P24 L27 R49 Y95 | F20-E22 VanDerWaalsContact C-N 3.27Å; F20-E22 PolarHBondContact O-N 3.34Å; E22-P24 VanDerWaalsContact O-CD 3.3Å; E22-P24 WeakPolarHBondContact O-CD 2.97Å; E22-L27 HydrophobicContact CB-CD1 3.72Å; E22-L27 HydrophobicContact CB-CG 4.49Å; E22-L27 WeakPolarHBondContact OE2-CD1 3.47Å; E22-R49 IonicContact OE1-NH1 3.95Å; E22-R49 IonicContact OE2-CZ 3.47Å; E22-R49 IonicContact OE2-NH1 3.2Å; E22-R49 PolarHBondContact OE2-NH1 2.81Å; E22-Y95 HydrophobicContact CB-CD1 4.3Å; E22-Y95 HydrophobicContact CB-CE1 4.11Å |
| 23 | D | 92.8 | Very high | 92.5 | Very high | 29 Ų | 29 | 70.7 Ų | 70.7 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | trans | -85.3 | 106 | -177.6 | -171.2 | -12.2 | 0 | 0 | 0 | 110.4 | E25 K26 L27 R97 | D23-E25 PolarHBondContact O-N 2.92Å; D23-E25 VanDerWaalsContact O-N 3.13Å; D23-E25 PolarHBondContact OD1-N 3.32Å; D23-K26 HydrophobicContact CB-CD 4.03Å; D23-K26 HydrophobicContact CB-CG 4.25Å; D23-K26 WeakPolarHBondContact O-CB 3.4Å; D23-K26 PolarHBondContact O-N 3.41Å; D23-K26 VanDerWaalsContact OD2-CE 3.3Å; D23-K26 WeakPolarHBondContact OD2-CE 3.45Å; D23-K26 IonicContact OD2-NZ 2.92Å; D23-K26 PolarHBondContact OD2-NZ 3.44Å; D23-L27 PolarHBondContact O-N 3.4Å; D23-R97 VanDerWaalsContact CG-CZ 3.47Å; D23-R97 IonicContact OD1-CZ 2.7Å; D23-R97 IonicContact OD1-NE 4Å; D23-R97 IonicContact OD1-NH1 3.72Å; D23-R97 PolarHBondContact OD1-NH1 2.85Å; D23-R97 IonicContact OD1-NH2 3.98Å; D23-R97 PolarHBondContact OD1-NH2 2.85Å; D23-R97 IonicContact OD2-CZ 3.27Å; D23-R97 VanDerWaalsContact OD2-CZ 3.29Å; D23-R97 IonicContact OD2-NH1 3.19Å; D23-R97 PolarHBondContact OD2-NH1 3.22Å; D23-R97 IonicContact OD2-NH2 2.68Å; D23-R97 PolarHBondContact OD2-NH2 3.26Å | ||
| 24 | P | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.6 | -21.2 | -169.7 | 28.3 | -35.7 | 0 | 0 | 0 | 113.1 | E22 K26 L27 F28 Y95 R97 W102 | E22-P24 VanDerWaalsContact O-CD 3.3Å; E22-P24 WeakPolarHBondContact O-CD 2.97Å; P24-K26 PolarHBondContact O-N 2.99Å; P24-L27 PolarHBondContact O-N 3.41Å; P24-F28 HydrophobicContact CB-CD2 4.06Å; P24-F28 HydrophobicContact CB-CE2 4.28Å; P24-F28 WeakPolarHBondContact O-CD2 3.36Å; P24-F28 PolarHBondContact O-N 3.2Å; P24-F28 VanDerWaalsContact O-N 3.08Å; P24-Y95 HydrophobicContact CB-CD1 4.48Å; P24-Y95 HydrophobicContact CB-CG 4.12Å; P24-R97 HydrophobicContact CG-CB 4.04Å; P24-W102 HydrophobicContact CB-CB 4.47Å; P24-W102 HydrophobicContact CB-CD2 3.84Å; P24-W102 HydrophobicContact CB-CE3 3.68Å; P24-W102 HydrophobicContact CB-CG 4.23Å; P24-W102 HydrophobicContact CB-CZ3 4.05Å; P24-W102 HydrophobicContact CG-CD2 3.85Å; P24-W102 HydrophobicContact CG-CE3 4.18Å; P24-W102 HydrophobicContact CG-CG 4.06Å; P24-W102 HydrophobicContact CG-CZ2 4.34Å |
| 25 | E | 94 | Very high | 92.5 | Very high | 106 Ų | 106 | 64.6 Ų | 64.6 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.6 | -13.1 | 174.7 | -60.4 | -176 | 141.8 | 0 | 0 | 113 | D23 R97 W102 | D23-E25 PolarHBondContact O-N 2.92Å; D23-E25 VanDerWaalsContact O-N 3.13Å; D23-E25 PolarHBondContact OD1-N 3.32Å; E25-R97 HydrophobicContact CG-CG 4.41Å; E25-R97 IonicContact OE2-CZ 3.7Å; E25-R97 IonicContact OE2-NE 2.65Å; E25-R97 PolarHBondContact OE2-NE 3.32Å; E25-R97 IonicContact OE2-NH2 3.4Å; E25-R97 PolarHBondContact OE2-NH2 2.93Å; E25-W102 HydrophobicContact CG-CH2 3.7Å; E25-W102 HydrophobicContact CG-CZ2 3.67Å |
| 26 | K | 94 | Very high | 92.1 | Very high | 147 Ų | 147 | 69.7 Ų | 69.7 | 64% | 0.639 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -103.1 | -15.2 | 174.1 | -59.4 | 178.3 | -175.7 | 135.1 | 0 | 113 | D23 P24 V48 | D23-K26 HydrophobicContact CB-CD 4.03Å; D23-K26 HydrophobicContact CB-CG 4.25Å; D23-K26 WeakPolarHBondContact O-CB 3.4Å; D23-K26 PolarHBondContact O-N 3.41Å; D23-K26 VanDerWaalsContact OD2-CE 3.3Å; D23-K26 WeakPolarHBondContact OD2-CE 3.45Å; D23-K26 IonicContact OD2-NZ 2.92Å; D23-K26 PolarHBondContact OD2-NZ 3.44Å; P24-K26 PolarHBondContact O-N 2.99Å; K26-V48 WeakPolarHBondContact O-CG2 3.46Å |
| 27 | L | 94.9 | Very high | 91.1 | Very high | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -94.4 | -32.2 | -178.8 | -63.1 | -178.5 | 0 | 0 | 0 | 112.8 | E22 D23 P24 D47 V48 R49 Y95 | E22-L27 HydrophobicContact CB-CD1 3.72Å; E22-L27 HydrophobicContact CB-CG 4.49Å; E22-L27 WeakPolarHBondContact OE2-CD1 3.47Å; D23-L27 PolarHBondContact O-N 3.4Å; P24-L27 PolarHBondContact O-N 3.41Å; L27-D47 WeakPolarHBondContact O-CA 3.49Å; L27-V48 PolarHBondContact O-N 3.09Å; L27-R49 HydrophobicContact CD2-CG 4.43Å; L27-Y95 HydrophobicContact CD1-CD1 3.93Å; L27-Y95 HydrophobicContact CD1-CE1 3.29Å |
| 28 | F | 96.9 | Very high | 89.6 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 4% | 0.044 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.2 | -170.7 | -56.6 | -68.3 | 0 | 0 | 0 | 112 | P24 L31 A45 R46 D47 V54 I56 Y95 W102 V104 | P24-F28 HydrophobicContact CB-CD2 4.06Å; P24-F28 HydrophobicContact CB-CE2 4.28Å; P24-F28 WeakPolarHBondContact O-CD2 3.36Å; P24-F28 PolarHBondContact O-N 3.2Å; P24-F28 VanDerWaalsContact O-N 3.08Å; F28-L31 HydrophobicContact CB-CD1 4.15Å; F28-L31 WeakPolarHBondContact O-CD1 3.36Å; F28-A45 HydrophobicContact CB-CB 4.26Å; F28-R46 WeakPolarHBondContact CA-O 3.42Å; F28-D47 HydrophobicContact CD1-CB 4.05Å; F28-D47 HydrophobicContact CE1-CB 3.84Å; F28-D47 WeakPolarHBondContact CE1-OD2 3.34Å; F28-V54 HydrophobicContact CD1-CG2 3.88Å; F28-V54 HydrophobicContact CE1-CG2 4.01Å; F28-I56 HydrophobicContact CB-CD1 3.57Å; F28-I56 HydrophobicContact CD1-CD1 3.85Å; F28-I56 HydrophobicContact CD2-CD1 3.78Å; F28-I56 HydrophobicContact CE2-CD1 4.48Å; F28-I56 HydrophobicContact CG-CD1 3.42Å; F28-I56 VanDerWaalsContact CG-CD1 3.42Å; F28-Y95 HydrophobicContact CE2-CD2 4.05Å; F28-Y95 AromaticContact CE2-CE2 3.8Å; F28-Y95 HydrophobicContact CE2-CE2 3.8Å; F28-Y95 AromaticContact CZ-CE2 3.88Å; F28-Y95 HydrophobicContact CZ-CE2 3.88Å; F28-W102 HydrophobicContact CD2-CE3 4.49Å; F28-V104 HydrophobicContact CE1-CG1 4.09Å; F28-V104 HydrophobicContact CE2-CG2 3.86Å; F28-V104 HydrophobicContact CZ-CG1 4.04Å; F28-V104 HydrophobicContact CZ-CG2 3.82Å |
| 29 | S | 94.8 | Very high | 88.2 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 32% | 0.315 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 170 | -175.4 | 65.4 | 0 | 0 | 0 | 0 | 112 | L31 A45 R46 | S29-L31 VanDerWaalsContact C-N 3.34Å; S29-L31 PolarHBondContact O-N 2.67Å; S29-A45 WeakPolarHBondContact O-CA 3.18Å; S29-R46 PolarHBondContact N-O 3.32Å; S29-R46 PolarHBondContact O-N 2.83Å; S29-R46 PolarHBondContact OG-O 3.06Å; S29-R46 VanDerWaalsContact OG-O 3.12Å |
| 30 | D | 92.7 | Very high | 87.4 | Confident | 67 Ų | 67 | 66.2 Ų | 66.2 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53 | 43.7 | 179.1 | -165.1 | 30.5 | 0 | 0 | 0 | 114.4 | R32 | D30-R32 VanDerWaalsContact CG-NE 3.28Å; D30-R32 PolarHBondContact O-N 3.16Å; D30-R32 VanDerWaalsContact O-N 3.14Å; D30-R32 IonicContact OD1-CZ 2.67Å; D30-R32 IonicContact OD1-NE 3.34Å; D30-R32 PolarHBondContact OD1-NE 2.89Å; D30-R32 IonicContact OD1-NH2 2.7Å; D30-R32 PolarHBondContact OD1-NH2 3.47Å; D30-R32 IonicContact OD2-CZ 3.82Å; D30-R32 IonicContact OD2-NE 3.2Å; D30-R32 PolarHBondContact OD2-NE 2.92Å; D30-R32 IonicContact OD2-NH2 2.88Å; D30-R32 PolarHBondContact OD2-NH2 3.37Å |
| 31 | L | 94.3 | Very high | 87.1 | Confident | 60 Ų | 60 | 62 Ų | 62 | 31% | 0.314 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 111.6 | -177.6 | -87.5 | 71.1 | 0 | 0 | 0 | 112 | F28 S29 Y43 F44 A45 W102 | F28-L31 HydrophobicContact CB-CD1 4.15Å; F28-L31 WeakPolarHBondContact O-CD1 3.36Å; S29-L31 VanDerWaalsContact C-N 3.34Å; S29-L31 PolarHBondContact O-N 2.67Å; L31-Y43 HydrophobicContact CB-CD1 4.28Å; L31-F44 CarbonylContact C-O 3.54Å; L31-F44 WeakPolarHBondContact CA-O 3.34Å; L31-A45 HydrophobicContact CD1-CB 3.8Å; L31-A45 HydrophobicContact CG-CB 4.05Å; L31-W102 HydrophobicContact CD2-CH2 4.03Å; L31-W102 HydrophobicContact CD2-CZ3 3.84Å |
| 32 | R | 92.3 | Very high | 87.2 | Confident | 95 Ų | 95 | 54 Ų | 54 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.9 | 179.5 | -63.8 | 171.6 | -169.8 | -171.1 | 7.1 | 110.1 | D30 I34 Y43 F44 L317 | D30-R32 VanDerWaalsContact CG-NE 3.28Å; D30-R32 PolarHBondContact O-N 3.16Å; D30-R32 VanDerWaalsContact O-N 3.14Å; D30-R32 IonicContact OD1-CZ 2.67Å; D30-R32 IonicContact OD1-NE 3.34Å; D30-R32 PolarHBondContact OD1-NE 2.89Å; D30-R32 IonicContact OD1-NH2 2.7Å; D30-R32 PolarHBondContact OD1-NH2 3.47Å; D30-R32 IonicContact OD2-CZ 3.82Å; D30-R32 IonicContact OD2-NE 3.2Å; D30-R32 PolarHBondContact OD2-NE 2.92Å; D30-R32 IonicContact OD2-NH2 2.88Å; D30-R32 PolarHBondContact OD2-NH2 3.37Å; R32-I34 PolarHBondContact O-N 2.81Å; R32-Y43 CarbonylContact O-C 3.58Å; R32-Y43 VanDerWaalsContact O-CA 3.25Å; R32-Y43 WeakPolarHBondContact O-CA 3.25Å; R32-F44 HydrophobicContact CB-CB 4.36Å; R32-F44 HydrophobicContact CB-CD1 4.33Å; R32-F44 HydrophobicContact CG-CD1 4.5Å; R32-F44 PolarHBondContact N-O 3.42Å; R32-F44 PolarHBondContact O-N 3.21Å; R32-L317 HydrophobicContact CB-CD1 4.49Å |
| 33 | E | 91.4 | Very high | 87.3 | Confident | 102 Ų | 102 | 52.1 Ų | 52.1 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 128.6 | -178.5 | -162.2 | 175.6 | 137.2 | 0 | 0 | 111.3 | A41 Y43 | E33-A41 HydrophobicContact CG-CB 4.25Å; E33-Y43 HydrophobicContact CB-CD1 4.07Å; E33-Y43 HydrophobicContact CB-CE1 3.81Å; E33-Y43 HydrophobicContact CG-CE1 4.11Å |
| 34 | I | 88.6 | Confident | 87.4 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | -10.5 | -178.3 | 58.1 | 174.1 | 0 | 0 | 0 | 113.6 | R32 V42 F44 Y107 K314 L317 | R32-I34 PolarHBondContact O-N 2.81Å; I34-V42 HydrophobicContact CD1-CG1 4.11Å; I34-V42 HydrophobicContact CG1-CB 4.28Å; I34-V42 HydrophobicContact CG1-CG1 4.02Å; I34-V42 WeakPolarHBondContact CG1-O 3.46Å; I34-V42 PolarHBondContact N-O 2.83Å; I34-F44 HydrophobicContact CD1-CB 4.45Å; I34-F44 HydrophobicContact CG2-CB 3.81Å; I34-Y107 HydrophobicContact CD1-CD2 4.24Å; I34-Y107 HydrophobicContact CD1-CE2 3.97Å; I34-K314 HydrophobicContact CB-CB 4.32Å; I34-K314 HydrophobicContact CB-CD 4.3Å; I34-K314 HydrophobicContact CG2-CB 3.96Å; I34-K314 WeakPolarHBondContact O-CD 3.24Å; I34-K314 PolarHBondContact O-NZ 3.34Å; I34-L317 HydrophobicContact CG2-CD1 3.52Å |
| 35 | G | 83.8 | Confident | 87.4 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 165.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V42 | G35-V42 PolarHBondContact N-O 3.43Å; G35-V42 PolarHBondContact O-N 3.41Å |
| 36 | H | 80.3 | Confident | 87.5 | Confident | 122 Ų | 122 | 48.3 Ų | 48.3 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 152.3 | 175.6 | 71.2 | 89.5 | 0 | 0 | 0 | 111.3 | A41 | H36-A41 HydrophobicContact CB-CB 4.49Å |
| 37 | G | 67.7 | Low | 87.6 | Confident | 46 Ų | 46 | 41.8 Ų | 41.8 | 47% | 0.474 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | -172.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F39 G40 | G37-F39 VanDerWaalsContact C-N 3.26Å; G37-F39 PolarHBondContact O-N 3.23Å; G37-G40 PolarHBondContact N-O 2.95Å; G37-G40 PolarHBondContact O-N 3.38Å |
| 38 | S | 59.9 | Low | 87.5 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.2 | -173.6 | 46.4 | 0 | 0 | 0 | 0 | 114.7 | S363 | S38-S363 PolarHBondContact OG-O 3.36Å; S38-S363 VanDerWaalsContact OG-O 3.11Å |
| 39 | F | 65 | Low | 87.4 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 9% | 0.088 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -21.4 | 178.7 | -62.8 | -75 | 0 | 0 | 0 | 114 | G37 M59 S60 D72 | G37-F39 VanDerWaalsContact C-N 3.26Å; G37-F39 PolarHBondContact O-N 3.23Å; F39-M59 HydrophobicContact CB-CB 4.39Å; F39-M59 HydrophobicContact CB-CG 3.97Å; F39-M59 HydrophobicContact CB-SD 4.2Å; F39-M59 WeakPolarHBondContact O-CA 3.29Å; F39-S60 PolarHBondContact O-N 3.26Å; F39-D72 HydrophobicContact CD1-CB 4.43Å; F39-D72 HydrophobicContact CE1-CB 3.51Å; F39-D72 HydrophobicContact CZ-CB 3.86Å |
| 40 | G | 77.9 | Confident | 87.3 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.5 | -155.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G37 K58 | G37-G40 PolarHBondContact N-O 2.95Å; G37-G40 PolarHBondContact O-N 3.38Å; G40-K58 WeakPolarHBondContact CA-O 3.37Å |
| 41 | A | 88.5 | Confident | 87.3 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 12% | 0.124 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 147.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E33 H36 Y43 K58 | E33-A41 HydrophobicContact CG-CB 4.25Å; H36-A41 HydrophobicContact CB-CB 4.49Å; A41-Y43 HydrophobicContact CB-CE2 3.64Å; A41-Y43 WeakPolarHBondContact CB-OH 3.39Å; A41-K58 PolarHBondContact N-O 3.48Å; A41-K58 PolarHBondContact O-N 2.82Å |
| 42 | V | 92.8 | Very high | 87.3 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.7 | 177.2 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | I34 G35 I56 K57 | I34-V42 HydrophobicContact CD1-CG1 4.11Å; I34-V42 HydrophobicContact CG1-CB 4.28Å; I34-V42 HydrophobicContact CG1-CG1 4.02Å; I34-V42 WeakPolarHBondContact CG1-O 3.46Å; I34-V42 PolarHBondContact N-O 2.83Å; G35-V42 PolarHBondContact N-O 3.43Å; G35-V42 PolarHBondContact O-N 3.41Å; V42-I56 CarbonylContact C-O 3.55Å; V42-I56 WeakPolarHBondContact CA-O 3.44Å; V42-K57 HydrophobicContact CG2-CB 4.13Å; V42-K57 HydrophobicContact CG2-CG 4.12Å |
| 43 | Y | 95 | Very high | 87.4 | Confident | 50 Ų | 50 | 52 Ų | 52 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.9 | -177.5 | -61.1 | -92 | 0 | 0 | 0 | 111 | L31 R32 E33 A41 A55 I56 K58 | L31-Y43 HydrophobicContact CB-CD1 4.28Å; R32-Y43 CarbonylContact O-C 3.58Å; R32-Y43 VanDerWaalsContact O-CA 3.25Å; R32-Y43 WeakPolarHBondContact O-CA 3.25Å; E33-Y43 HydrophobicContact CB-CD1 4.07Å; E33-Y43 HydrophobicContact CB-CE1 3.81Å; E33-Y43 HydrophobicContact CG-CE1 4.11Å; A41-Y43 HydrophobicContact CB-CE2 3.64Å; A41-Y43 WeakPolarHBondContact CB-OH 3.39Å; Y43-A55 CarbonylContact O-C 3.54Å; Y43-A55 WeakPolarHBondContact O-CA 3.32Å; Y43-I56 PolarHBondContact N-O 3.11Å; Y43-I56 PolarHBondContact O-N 2.81Å; Y43-K58 HydrophobicContact CD2-CB 4.49Å; Y43-K58 HydrophobicContact CD2-CD 4Å; Y43-K58 HydrophobicContact CD2-CG 3.93Å; Y43-K58 HydrophobicContact CE2-CB 4.18Å; Y43-K58 HydrophobicContact CE2-CD 3.77Å; Y43-K58 HydrophobicContact CE2-CG 3.95Å |
| 44 | F | 95.4 | Very high | 87.6 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 137.2 | 150.5 | 167 | -77.5 | 0 | 0 | 0 | 107.7 | L31 R32 I34 V53 Y107 L317 | L31-F44 CarbonylContact C-O 3.54Å; L31-F44 WeakPolarHBondContact CA-O 3.34Å; R32-F44 HydrophobicContact CB-CB 4.36Å; R32-F44 HydrophobicContact CB-CD1 4.33Å; R32-F44 HydrophobicContact CG-CD1 4.5Å; R32-F44 PolarHBondContact N-O 3.42Å; R32-F44 PolarHBondContact O-N 3.21Å; I34-F44 HydrophobicContact CD1-CB 4.45Å; I34-F44 HydrophobicContact CG2-CB 3.81Å; F44-V53 HydrophobicContact CD2-CG1 3.65Å; F44-V53 HydrophobicContact CE2-CG1 3.3Å; F44-V53 HydrophobicContact CE2-CG2 4.46Å; F44-V53 HydrophobicContact CZ-CG1 3.91Å; F44-V53 HydrophobicContact CZ-CG2 4.47Å; F44-Y107 HydrophobicContact CB-CE2 4.35Å; F44-Y107 HydrophobicContact CD2-CD2 4.1Å; F44-Y107 HydrophobicContact CD2-CE1 4.21Å; F44-Y107 AromaticContact CD2-CE2 3.78Å; F44-Y107 HydrophobicContact CD2-CE2 3.78Å; F44-Y107 HydrophobicContact CD2-CG 4.47Å; F44-Y107 AromaticContact CD2-CZ 3.84Å; F44-Y107 HydrophobicContact CE2-CE1 4.41Å; F44-L317 HydrophobicContact CB-CD1 3.89Å; F44-L317 HydrophobicContact CD2-CB 3.84Å; F44-L317 HydrophobicContact CD2-CD1 4.08Å; F44-L317 HydrophobicContact CE2-CB 3.77Å; F44-L317 HydrophobicContact CG-CB 4.42Å; F44-L317 HydrophobicContact CG-CD1 3.99Å; F44-L317 HydrophobicContact CZ-CB 4.32Å |
| 45 | A | 95.8 | Very high | 88 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 170.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | F28 S29 L31 V53 V54 I56 | F28-A45 HydrophobicContact CB-CB 4.26Å; S29-A45 WeakPolarHBondContact O-CA 3.18Å; L31-A45 HydrophobicContact CD1-CB 3.8Å; L31-A45 HydrophobicContact CG-CB 4.05Å; A45-V53 WeakPolarHBondContact O-CA 3.37Å; A45-V54 HydrophobicContact CB-CG2 4.21Å; A45-V54 PolarHBondContact N-O 2.79Å; A45-V54 PolarHBondContact O-N 2.85Å; A45-I56 HydrophobicContact CB-CD1 3.54Å; A45-I56 HydrophobicContact CB-CG1 4.02Å |
| 46 | R | 95.2 | Very high | 88.7 | Confident | 52 Ų | 52 | 45 Ų | 45 | 20% | 0.196 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.1 | 178.7 | -179.3 | 176.7 | -68.6 | -73 | -4.7 | 110.4 | F28 S29 V48 N51 E52 | F28-R46 WeakPolarHBondContact CA-O 3.42Å; S29-R46 PolarHBondContact N-O 3.32Å; S29-R46 PolarHBondContact O-N 2.83Å; S29-R46 PolarHBondContact OG-O 3.06Å; S29-R46 VanDerWaalsContact OG-O 3.12Å; R46-V48 PolarHBondContact O-N 3.37Å; R46-N51 VanDerWaalsContact CD-OD1 3.26Å; R46-N51 WeakPolarHBondContact CD-OD1 3.49Å; R46-N51 PolarHBondContact NH1-O 3.45Å; R46-N51 PolarHBondContact NH1-OD1 2.89Å; R46-E52 WeakPolarHBondContact CA-O 3.25Å |
| 47 | D | 95.5 | Very high | 89.4 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 122.1 | 173.8 | -171.2 | -49.7 | 0 | 0 | 0 | 109.1 | L27 F28 R49 N51 E52 | L27-D47 WeakPolarHBondContact O-CA 3.49Å; F28-D47 HydrophobicContact CD1-CB 4.05Å; F28-D47 HydrophobicContact CE1-CB 3.84Å; F28-D47 WeakPolarHBondContact CE1-OD2 3.34Å; D47-R49 PolarHBondContact O-N 3.17Å; D47-R49 WeakPolarHBondContact OD1-CA 3.38Å; D47-R49 WeakPolarHBondContact OD1-CB 3.34Å; D47-R49 WeakPolarHBondContact OD1-CG 3.45Å; D47-R49 IonicContact OD1-CZ 3.66Å; D47-R49 PolarHBondContact OD1-N 2.92Å; D47-R49 IonicContact OD1-NE 4Å; D47-R49 PolarHBondContact OD1-NE 2.94Å; D47-R49 IonicContact OD1-NH2 2.79Å; D47-R49 IonicContact OD2-CZ 3.62Å; D47-R49 IonicContact OD2-NE 2.84Å; D47-R49 PolarHBondContact OD2-NE 3.31Å; D47-R49 IonicContact OD2-NH2 2.82Å; D47-R49 PolarHBondContact OD2-NH2 2.98Å; D47-N51 VanDerWaalsContact O-CA 3.24Å; D47-N51 WeakPolarHBondContact O-CA 3.42Å; D47-N51 PolarHBondContact O-N 3.35Å; D47-E52 PolarHBondContact N-O 2.91Å |
| 48 | V | 94.3 | Very high | 90.7 | Very high | 86 Ų | 86 | 39.8 Ų | 39.8 | 52% | 0.521 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13 | -174.6 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | K26 L27 R46 | K26-V48 WeakPolarHBondContact O-CG2 3.46Å; L27-V48 PolarHBondContact O-N 3.09Å; R46-V48 PolarHBondContact O-N 3.37Å |
| 49 | R | 94 | Very high | 92.2 | Very high | 120 Ų | 120 | 37.9 Ų | 37.9 | 45% | 0.453 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -42.2 | -178.6 | -52.6 | 171 | -74 | -161.9 | -2.5 | 111.8 | E22 L27 D47 Y95 | E22-R49 IonicContact OE1-NH1 3.95Å; E22-R49 IonicContact OE2-CZ 3.47Å; E22-R49 IonicContact OE2-NH1 3.2Å; E22-R49 PolarHBondContact OE2-NH1 2.81Å; L27-R49 HydrophobicContact CD2-CG 4.43Å; D47-R49 PolarHBondContact O-N 3.17Å; D47-R49 WeakPolarHBondContact OD1-CA 3.38Å; D47-R49 WeakPolarHBondContact OD1-CB 3.34Å; D47-R49 WeakPolarHBondContact OD1-CG 3.45Å; D47-R49 IonicContact OD1-CZ 3.66Å; D47-R49 PolarHBondContact OD1-N 2.92Å; D47-R49 IonicContact OD1-NE 4Å; D47-R49 PolarHBondContact OD1-NE 2.94Å; D47-R49 IonicContact OD1-NH2 2.79Å; D47-R49 IonicContact OD2-CZ 3.62Å; D47-R49 IonicContact OD2-NE 2.84Å; D47-R49 PolarHBondContact OD2-NE 3.31Å; D47-R49 IonicContact OD2-NH2 2.82Å; D47-R49 PolarHBondContact OD2-NH2 2.98Å; R49-Y95 PolarHBondContact NH2-OH 3.46Å |
| 50 | T | 93.9 | Very high | 93.5 | Very high | 87 Ų | 87 | 38.7 Ų | 38.7 | 53% | 0.534 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -13.1 | -175 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | E52 | T50-E52 PolarHBondContact O-N 2.92Å; T50-E52 WeakPolarHBondContact OG1-CB 3.27Å; T50-E52 PolarHBondContact OG1-N 2.89Å |
| 51 | N | 91.3 | Very high | 94.1 | Very high | 109 Ų | 109 | 37.5 Ų | 37.5 | 58% | 0.583 | 19% | 0.193 | S | C | * | . | trans | 60.3 | 14.9 | -167 | -161.8 | 23.2 | 0 | 0 | 0 | 113.7 | R46 D47 | R46-N51 VanDerWaalsContact CD-OD1 3.26Å; R46-N51 WeakPolarHBondContact CD-OD1 3.49Å; R46-N51 PolarHBondContact NH1-O 3.45Å; R46-N51 PolarHBondContact NH1-OD1 2.89Å; D47-N51 VanDerWaalsContact O-CA 3.24Å; D47-N51 WeakPolarHBondContact O-CA 3.42Å; D47-N51 PolarHBondContact O-N 3.35Å | ||
| 52 | E | 93.9 | Very high | 93.9 | Very high | 81 Ų | 81 | 39.6 Ų | 39.6 | 38% | 0.379 | 21% | 0.207 | S | C | . | . | trans | -74 | 143.9 | 179.4 | -171 | 178.1 | -163.8 | 0 | 0 | 111.4 | R46 D47 T50 V54 K92 | R46-E52 WeakPolarHBondContact CA-O 3.25Å; D47-E52 PolarHBondContact N-O 2.91Å; T50-E52 PolarHBondContact O-N 2.92Å; T50-E52 WeakPolarHBondContact OG1-CB 3.27Å; T50-E52 PolarHBondContact OG1-N 2.89Å; E52-V54 HydrophobicContact CG-CG1 4.32Å; E52-K92 VanDerWaalsContact CD-NZ 3.32Å; E52-K92 VanDerWaalsContact OE1-CE 3.23Å; E52-K92 WeakPolarHBondContact OE1-CE 3.28Å; E52-K92 IonicContact OE1-NZ 3.04Å; E52-K92 PolarHBondContact OE1-NZ 2.93Å; E52-K92 IonicContact OE2-NZ 3.05Å; E52-K92 PolarHBondContact OE2-NZ 3.45Å | ||
| 53 | V | 95.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 126.7 | 172.6 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | F44 A45 Y107 | F44-V53 HydrophobicContact CD2-CG1 3.65Å; F44-V53 HydrophobicContact CE2-CG1 3.3Å; F44-V53 HydrophobicContact CE2-CG2 4.46Å; F44-V53 HydrophobicContact CZ-CG1 3.91Å; F44-V53 HydrophobicContact CZ-CG2 4.47Å; A45-V53 WeakPolarHBondContact O-CA 3.37Å; V53-Y107 HydrophobicContact CG1-CD1 3.64Å; V53-Y107 HydrophobicContact CG1-CD2 4.43Å; V53-Y107 HydrophobicContact CG1-CE1 4.35Å; V53-Y107 HydrophobicContact CG1-CG 3.69Å |
| 54 | V | 96.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 154.5 | -174.3 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | F28 A45 E52 I56 K92 V104 M105 | F28-V54 HydrophobicContact CD1-CG2 3.88Å; F28-V54 HydrophobicContact CE1-CG2 4.01Å; A45-V54 HydrophobicContact CB-CG2 4.21Å; A45-V54 PolarHBondContact N-O 2.79Å; A45-V54 PolarHBondContact O-N 2.85Å; E52-V54 HydrophobicContact CG-CG1 4.32Å; V54-I56 HydrophobicContact CG2-CD1 4.27Å; V54-I56 HydrophobicContact CG2-CG1 4.09Å; V54-K92 HydrophobicContact CG1-CD 3.82Å; V54-V104 HydrophobicContact CB-CG1 3.87Å; V54-V104 HydrophobicContact CG1-CG1 4.19Å; V54-V104 HydrophobicContact CG2-CG1 3.96Å; V54-M105 WeakPolarHBondContact CB-O 3.39Å |
| 55 | A | 96.8 | Very high | 91.9 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y43 V104 M105 E106 | Y43-A55 CarbonylContact O-C 3.54Å; Y43-A55 WeakPolarHBondContact O-CA 3.32Å; A55-V104 CarbonylContact O-C 3.58Å; A55-V104 WeakPolarHBondContact O-CA 3.49Å; A55-M105 PolarHBondContact N-O 3.49Å; A55-M105 PolarHBondContact O-N 2.91Å; A55-E106 WeakPolarHBondContact CB-O 3.29Å |
| 56 | I | 96.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 105.6 | -179.7 | -52.5 | -174 | 0 | 0 | 0 | 110.1 | F28 V42 Y43 A45 V54 K58 W102 L103 V104 | F28-I56 HydrophobicContact CB-CD1 3.57Å; F28-I56 HydrophobicContact CD1-CD1 3.85Å; F28-I56 HydrophobicContact CD2-CD1 3.78Å; F28-I56 HydrophobicContact CE2-CD1 4.48Å; F28-I56 HydrophobicContact CG-CD1 3.42Å; F28-I56 VanDerWaalsContact CG-CD1 3.42Å; V42-I56 CarbonylContact C-O 3.55Å; V42-I56 WeakPolarHBondContact CA-O 3.44Å; Y43-I56 PolarHBondContact N-O 3.11Å; Y43-I56 PolarHBondContact O-N 2.81Å; A45-I56 HydrophobicContact CB-CD1 3.54Å; A45-I56 HydrophobicContact CB-CG1 4.02Å; V54-I56 HydrophobicContact CG2-CD1 4.27Å; V54-I56 HydrophobicContact CG2-CG1 4.09Å; I56-K58 HydrophobicContact CG2-CG 4.07Å; I56-K58 PolarHBondContact O-N 2.91Å; I56-W102 HydrophobicContact CD1-CE3 4.26Å; I56-W102 HydrophobicContact CG2-CB 3.98Å; I56-W102 HydrophobicContact CG2-CD2 4.33Å; I56-W102 HydrophobicContact CG2-CE3 3.86Å; I56-W102 HydrophobicContact CG2-CG 4.41Å; I56-L103 CarbonylContact C-O 3.57Å; I56-L103 WeakPolarHBondContact CA-O 3.37Å; I56-V104 HydrophobicContact CD1-CG2 4.46Å; I56-V104 HydrophobicContact CG1-CG1 4.37Å; I56-V104 HydrophobicContact CG1-CG2 4.23Å; I56-V104 HydrophobicContact CG2-CG2 4.48Å |
| 57 | K | 95.4 | Very high | 90.8 | Very high | 15 Ų | 15 | 56 Ų | 56 | 7% | 0.065 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 104.3 | 171.2 | -179 | 173 | 170.8 | -170.5 | 0 | 108.7 | V42 M59 E76 L103 M105 D169 | V42-K57 HydrophobicContact CG2-CB 4.13Å; V42-K57 HydrophobicContact CG2-CG 4.12Å; K57-M59 HydrophobicContact CD-SD 4.19Å; K57-M59 HydrophobicContact CG-CG 3.92Å; K57-M59 HydrophobicContact CG-SD 4.17Å; K57-E76 IonicContact NZ-OE1 2.83Å; K57-E76 PolarHBondContact NZ-OE1 3.04Å; K57-E76 IonicContact NZ-OE2 3.75Å; K57-E76 PolarHBondContact NZ-OE2 3.48Å; K57-L103 HydrophobicContact CB-CB 4.27Å; K57-L103 HydrophobicContact CD-CD2 4.34Å; K57-L103 PolarHBondContact N-O 3.12Å; K57-L103 PolarHBondContact O-N 3.44Å; K57-M105 HydrophobicContact CB-CE 3.9Å; K57-D169 IonicContact NZ-OD1 2.8Å; K57-D169 PolarHBondContact NZ-OD1 3.34Å |
| 58 | K | 94.4 | Very high | 90.2 | Very high | 43 Ų | 43 | 59 Ų | 59 | 19% | 0.187 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.4 | 177.2 | -66.4 | -165.9 | -171.2 | -170.1 | 0 | 110.2 | G40 A41 Y43 I56 T100 A101 W102 | G40-K58 WeakPolarHBondContact CA-O 3.37Å; A41-K58 PolarHBondContact N-O 3.48Å; A41-K58 PolarHBondContact O-N 2.82Å; Y43-K58 HydrophobicContact CD2-CB 4.49Å; Y43-K58 HydrophobicContact CD2-CD 4Å; Y43-K58 HydrophobicContact CD2-CG 3.93Å; Y43-K58 HydrophobicContact CE2-CB 4.18Å; Y43-K58 HydrophobicContact CE2-CD 3.77Å; Y43-K58 HydrophobicContact CE2-CG 3.95Å; I56-K58 HydrophobicContact CG2-CG 4.07Å; I56-K58 PolarHBondContact O-N 2.91Å; K58-T100 HydrophobicContact CB-CG2 3.96Å; K58-A101 CarbonylContact C-O 3.59Å; K58-A101 WeakPolarHBondContact CA-O 3.23Å; K58-W102 HydrophobicContact CD-CD2 4.1Å; K58-W102 HydrophobicContact CD-CZ2 4.27Å; K58-W102 HydrophobicContact CG-CD2 4.16Å; K58-W102 HydrophobicContact CG-CG 4.21Å |
| 59 | M | 93.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.5 | -174.3 | -59.8 | -176.9 | -76.7 | 0 | 0 | 110.9 | F39 K57 I73 T100 A101 L103 | F39-M59 HydrophobicContact CB-CB 4.39Å; F39-M59 HydrophobicContact CB-CG 3.97Å; F39-M59 HydrophobicContact CB-SD 4.2Å; F39-M59 WeakPolarHBondContact O-CA 3.29Å; K57-M59 HydrophobicContact CD-SD 4.19Å; K57-M59 HydrophobicContact CG-CG 3.92Å; K57-M59 HydrophobicContact CG-SD 4.17Å; M59-I73 HydrophobicContact CB-CD1 3.69Å; M59-I73 HydrophobicContact CB-CG1 3.74Å; M59-I73 HydrophobicContact CE-CB 4.49Å; M59-I73 HydrophobicContact CE-CG1 4.05Å; M59-I73 HydrophobicContact CE-CG2 4.18Å; M59-I73 HydrophobicContact CG-CG1 4.48Å; M59-I73 HydrophobicContact SD-CG1 3.97Å; M59-T100 WeakPolarHBondContact O-CA 3.21Å; M59-A101 PolarHBondContact N-O 2.8Å; M59-A101 PolarHBondContact O-N 2.82Å; M59-L103 HydrophobicContact CE-CB 3.72Å; M59-L103 HydrophobicContact CE-CD2 3.73Å; M59-L103 HydrophobicContact CE-CG 4.39Å |
| 60 | S | 90.8 | Very high | 89.6 | Confident | 37 Ų | 37 | 52.1 Ų | 52.1 | 26% | 0.259 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123 | -178.2 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | F39 S62 K69 H99 | F39-S60 PolarHBondContact O-N 3.26Å; S60-S62 VanDerWaalsContact C-N 3.35Å; S60-S62 PolarHBondContact OG-N 3.36Å; S60-S62 PolarHBondContact OG-OG 3.04Å; S60-K69 WeakPolarHBondContact O-CD 3.26Å; S60-H99 WeakPolarHBondContact CA-O 3.39Å; S60-H99 PolarHBondContact OG-O 3.18Å |
| 61 | Y | 90.5 | Very high | 89.3 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | trans | -99.3 | 27.6 | 173.9 | 56.1 | -90.4 | 0 | 0 | 0 | 112.1 | A7 S66 W70 I73 L96 E98 H99 | A7-Y61 HydrophobicContact CB-CD2 4.08Å; Y61-S66 WeakPolarHBondContact O-CA 3.43Å; Y61-S66 WeakPolarHBondContact O-CB 3.26Å; Y61-W70 AromaticContact CD1-CE3 3.54Å; Y61-W70 HydrophobicContact CD1-CE3 3.54Å; Y61-W70 AromaticContact CD1-CZ3 3.76Å; Y61-W70 HydrophobicContact CD1-CZ3 3.76Å; Y61-W70 HydrophobicContact CD2-CE3 4.08Å; Y61-W70 AromaticContact CE1-CE3 3.77Å; Y61-W70 HydrophobicContact CE1-CE3 3.77Å; Y61-W70 AromaticContact CE1-CZ3 3.5Å; Y61-W70 HydrophobicContact CE1-CZ3 3.5Å; Y61-W70 HydrophobicContact CE2-CE3 4.29Å; Y61-W70 HydrophobicContact CE2-CZ3 4.42Å; Y61-W70 AromaticContact CG-CE3 3.7Å; Y61-W70 HydrophobicContact CG-CE3 3.7Å; Y61-W70 HydrophobicContact CG-CZ3 4.31Å; Y61-W70 AromaticContact CZ-CZ3 3.86Å; Y61-I73 HydrophobicContact CD1-CD1 3.92Å; Y61-I73 HydrophobicContact CG-CD1 4.5Å; Y61-L96 HydrophobicContact CE1-CD1 3.66Å; Y61-L96 WeakPolarHBondContact OH-CD1 3.4Å; Y61-E98 PolarHBondContact OH-O 2.72Å; Y61-H99 WeakPolarHBondContact CD1-O 3.39Å; Y61-H99 HydrophobicContact CE2-CB 4.27Å; Y61-H99 VanDerWaalsContact CZ-CA 3.47Å; Y61-H99 PolarHBondContact N-O 3.04Å | ||
| 62 | S | 84.8 | Confident | 89.1 | Confident | 59 Ų | 59 | 47.7 Ų | 47.7 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | trans | -81 | 164.9 | 173.9 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | S60 | S60-S62 VanDerWaalsContact C-N 3.35Å; S60-S62 PolarHBondContact OG-N 3.36Å; S60-S62 PolarHBondContact OG-OG 3.04Å | ||
| 63 | G | 82.8 | Confident | 89 | Confident | 57 Ų | 57 | 43.9 Ų | 43.9 | 59% | 0.588 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 84.2 | -165.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q65 S66 | G63-Q65 VanDerWaalsContact C-N 3.28Å; G63-Q65 PolarHBondContact O-N 3.01Å; G63-S66 VanDerWaalsContact O-CB 3.32Å; G63-S66 WeakPolarHBondContact O-CB 3.3Å; G63-S66 PolarHBondContact O-N 2.9Å; G63-S66 PolarHBondContact O-OG 3.38Å |
| 64 | K | 77.4 | Confident | 88.8 | Confident | 226 Ų | 226 | 43.2 Ų | 43.2 | 98% | 0.983 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.8 | -171.4 | -66.4 | -178.1 | -179.1 | 176.1 | 0 | 114.5 | ||
| 65 | Q | 81.6 | Confident | 88.5 | Confident | 93 Ų | 93 | 47.7 Ų | 47.7 | 44% | 0.435 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 21 | 179 | -70.5 | 177.7 | -77.3 | 0 | 0 | 113.1 | G63 N67 E68 K69 | G63-Q65 VanDerWaalsContact C-N 3.28Å; G63-Q65 PolarHBondContact O-N 3.01Å; Q65-N67 VanDerWaalsContact C-N 3.34Å; Q65-N67 PolarHBondContact O-N 2.98Å; Q65-E68 HydrophobicContact CB-CB 4.48Å; Q65-E68 PolarHBondContact NE2-OE2 3.18Å; Q65-E68 PolarHBondContact O-N 3.03Å; Q65-K69 PolarHBondContact O-N 3.33Å |
| 66 | S | 84.9 | Confident | 88.2 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -49.9 | -47.3 | -174.7 | 49.4 | 0 | 0 | 0 | 0 | 114.4 | A7 Y61 G63 E68 W70 | A7-S66 WeakPolarHBondContact CB-O 3.11Å; Y61-S66 WeakPolarHBondContact O-CA 3.43Å; Y61-S66 WeakPolarHBondContact O-CB 3.26Å; G63-S66 VanDerWaalsContact O-CB 3.32Å; G63-S66 WeakPolarHBondContact O-CB 3.3Å; G63-S66 PolarHBondContact O-N 2.9Å; G63-S66 PolarHBondContact O-OG 3.38Å; S66-E68 PolarHBondContact O-N 3.5Å; S66-W70 VanDerWaalsContact O-CB 3.27Å; S66-W70 WeakPolarHBondContact O-CB 3.3Å; S66-W70 PolarHBondContact O-N 3.06Å |
| 67 | N | 83.6 | Confident | 88.1 | Confident | 75 Ų | 75 | 47.4 Ų | 47.4 | 40% | 0.401 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 178 | -77.3 | 1 | 0 | 0 | 0 | 113.5 | A7 Q65 Q71 | A7-N67 WeakPolarHBondContact CB-OD1 2.96Å; A7-N67 PolarHBondContact N-OD1 2.94Å; Q65-N67 VanDerWaalsContact C-N 3.34Å; Q65-N67 PolarHBondContact O-N 2.98Å; N67-Q71 WeakPolarHBondContact O-CG 3.46Å; N67-Q71 PolarHBondContact O-N 3.4Å |
| 68 | E | 81.8 | Confident | 88 | Confident | 73 Ų | 73 | 50.2 Ų | 50.2 | 34% | 0.341 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.5 | -52.6 | 179.6 | -175.5 | 167 | -131.7 | 0 | 0 | 109.9 | Q65 S66 W70 Q71 D72 | Q65-E68 HydrophobicContact CB-CB 4.48Å; Q65-E68 PolarHBondContact NE2-OE2 3.18Å; Q65-E68 PolarHBondContact O-N 3.03Å; S66-E68 PolarHBondContact O-N 3.5Å; E68-W70 VanDerWaalsContact C-N 3.27Å; E68-W70 PolarHBondContact O-N 3.03Å; E68-Q71 PolarHBondContact O-N 2.95Å; E68-D72 PolarHBondContact O-N 3.35Å |
| 69 | K | 85.6 | Confident | 88 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.1 | -37.3 | 175.2 | -64.5 | -167.8 | 179.9 | -168.3 | 0 | 112.9 | S60 Q65 D72 I73 | S60-K69 WeakPolarHBondContact O-CD 3.26Å; Q65-K69 PolarHBondContact O-N 3.33Å; K69-D72 PolarHBondContact O-N 3.23Å; K69-I73 WeakPolarHBondContact O-CD1 3.46Å; K69-I73 VanDerWaalsContact O-CG1 3.23Å; K69-I73 WeakPolarHBondContact O-CG1 3.44Å; K69-I73 PolarHBondContact O-N 3.41Å |
| 70 | W | 90.8 | Very high | 88.1 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 175.1 | -175.7 | -113.3 | 0 | 0 | 0 | 111.9 | A7 L10 V15 F19 Y61 S66 E68 I73 I74 L96 | A7-W70 HydrophobicContact CB-CB 3.8Å; A7-W70 HydrophobicContact CB-CG 4.1Å; L10-W70 HydrophobicContact CD2-CH2 4.26Å; L10-W70 HydrophobicContact CD2-CZ2 4.17Å; V15-W70 HydrophobicContact CG1-CZ2 3.79Å; F19-W70 HydrophobicContact CD2-CH2 4.4Å; F19-W70 HydrophobicContact CE1-CH2 4.29Å; F19-W70 AromaticContact CE2-CH2 3.47Å; F19-W70 HydrophobicContact CE2-CH2 3.47Å; F19-W70 VanDerWaalsContact CE2-CH2 3.47Å; F19-W70 AromaticContact CE2-CZ2 3.89Å; F19-W70 HydrophobicContact CE2-CZ2 3.89Å; F19-W70 HydrophobicContact CE2-CZ3 4.39Å; F19-W70 AromaticContact CZ-CH2 3.4Å; F19-W70 HydrophobicContact CZ-CH2 3.4Å; F19-W70 HydrophobicContact CZ-CZ2 4.13Å; F19-W70 AromaticContact CZ-CZ3 3.87Å; F19-W70 HydrophobicContact CZ-CZ3 3.87Å; Y61-W70 AromaticContact CD1-CE3 3.54Å; Y61-W70 HydrophobicContact CD1-CE3 3.54Å; Y61-W70 AromaticContact CD1-CZ3 3.76Å; Y61-W70 HydrophobicContact CD1-CZ3 3.76Å; Y61-W70 HydrophobicContact CD2-CE3 4.08Å; Y61-W70 AromaticContact CE1-CE3 3.77Å; Y61-W70 HydrophobicContact CE1-CE3 3.77Å; Y61-W70 AromaticContact CE1-CZ3 3.5Å; Y61-W70 HydrophobicContact CE1-CZ3 3.5Å; Y61-W70 HydrophobicContact CE2-CE3 4.29Å; Y61-W70 HydrophobicContact CE2-CZ3 4.42Å; Y61-W70 AromaticContact CG-CE3 3.7Å; Y61-W70 HydrophobicContact CG-CE3 3.7Å; Y61-W70 HydrophobicContact CG-CZ3 4.31Å; Y61-W70 AromaticContact CZ-CZ3 3.86Å; S66-W70 VanDerWaalsContact O-CB 3.27Å; S66-W70 WeakPolarHBondContact O-CB 3.3Å; S66-W70 PolarHBondContact O-N 3.06Å; E68-W70 VanDerWaalsContact C-N 3.27Å; E68-W70 PolarHBondContact O-N 3.03Å; W70-I73 PolarHBondContact O-N 3.42Å; W70-I74 HydrophobicContact CD2-CG1 4.29Å; W70-I74 HydrophobicContact CH2-CD1 4.4Å; W70-I74 HydrophobicContact CZ2-CD1 3.87Å; W70-I74 HydrophobicContact CZ2-CG1 4.35Å; W70-I74 WeakPolarHBondContact O-CB 3.49Å; W70-I74 WeakPolarHBondContact O-CG1 3.36Å; W70-I74 PolarHBondContact O-N 3.25Å; W70-L96 HydrophobicContact CH2-CD1 3.88Å; W70-L96 HydrophobicContact CH2-CD2 4.22Å; W70-L96 HydrophobicContact CZ3-CD1 3.73Å |
| 71 | Q | 88.1 | Confident | 88.2 | Confident | 99 Ų | 99 | 50.9 Ų | 50.9 | 46% | 0.463 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 177 | -71.1 | -66.5 | -29.9 | 0 | 0 | 112.5 | N67 E68 I74 K75 | N67-Q71 WeakPolarHBondContact O-CG 3.46Å; N67-Q71 PolarHBondContact O-N 3.4Å; E68-Q71 PolarHBondContact O-N 2.95Å; Q71-I74 PolarHBondContact O-N 3.05Å; Q71-K75 WeakPolarHBondContact O-CB 3.22Å; Q71-K75 VanDerWaalsContact O-CG 3.27Å; Q71-K75 WeakPolarHBondContact O-CG 3.32Å; Q71-K75 PolarHBondContact O-N 3.14Å |
| 72 | D | 85.7 | Confident | 88.4 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 174.7 | -65.3 | -46 | 0 | 0 | 0 | 111.9 | F39 E68 K69 I74 K75 E76 S365 | F39-D72 HydrophobicContact CD1-CB 4.43Å; F39-D72 HydrophobicContact CE1-CB 3.51Å; F39-D72 HydrophobicContact CZ-CB 3.86Å; E68-D72 PolarHBondContact O-N 3.35Å; K69-D72 PolarHBondContact O-N 3.23Å; D72-I74 PolarHBondContact O-N 3.24Å; D72-K75 WeakPolarHBondContact O-CB 3.46Å; D72-K75 PolarHBondContact O-N 2.93Å; D72-E76 PolarHBondContact O-N 2.83Å; D72-S365 VanDerWaalsContact CG-OG 3.24Å; D72-S365 PolarHBondContact OD1-OG 3.36Å; D72-S365 PolarHBondContact OD2-OG 2.89Å |
| 73 | I | 91.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.1 | -48.2 | 172.9 | -71.3 | 164.4 | 0 | 0 | 0 | 111 | F19 M59 Y61 K69 W70 K75 E76 V77 A101 | F19-I73 HydrophobicContact CE1-CG2 4.49Å; F19-I73 HydrophobicContact CZ-CG2 4.37Å; M59-I73 HydrophobicContact CB-CD1 3.69Å; M59-I73 HydrophobicContact CB-CG1 3.74Å; M59-I73 HydrophobicContact CE-CB 4.49Å; M59-I73 HydrophobicContact CE-CG1 4.05Å; M59-I73 HydrophobicContact CE-CG2 4.18Å; M59-I73 HydrophobicContact CG-CG1 4.48Å; M59-I73 HydrophobicContact SD-CG1 3.97Å; Y61-I73 HydrophobicContact CD1-CD1 3.92Å; Y61-I73 HydrophobicContact CG-CD1 4.5Å; K69-I73 WeakPolarHBondContact O-CD1 3.46Å; K69-I73 VanDerWaalsContact O-CG1 3.23Å; K69-I73 WeakPolarHBondContact O-CG1 3.44Å; K69-I73 PolarHBondContact O-N 3.41Å; W70-I73 PolarHBondContact O-N 3.42Å; I73-K75 VanDerWaalsContact C-N 3.29Å; I73-K75 PolarHBondContact O-N 2.88Å; I73-E76 PolarHBondContact O-N 2.88Å; I73-V77 WeakPolarHBondContact O-CG2 3.29Å; I73-V77 PolarHBondContact O-N 3Å; I73-A101 HydrophobicContact CD1-CB 4.23Å; I73-A101 HydrophobicContact CG2-CB 3.71Å |
| 74 | I | 91.8 | Very high | 89.4 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.062 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -37.3 | -179.9 | -67.2 | -73.1 | 0 | 0 | 0 | 111.1 | V15 L18 F19 W70 Q71 D72 K78 | V15-I74 HydrophobicContact CG1-CD1 3.84Å; V15-I74 HydrophobicContact CG2-CD1 4.47Å; L18-I74 HydrophobicContact CD1-CD1 3.52Å; L18-I74 HydrophobicContact CD1-CG2 4.02Å; F19-I74 HydrophobicContact CE2-CD1 3.73Å; F19-I74 HydrophobicContact CZ-CD1 3.83Å; W70-I74 HydrophobicContact CD2-CG1 4.29Å; W70-I74 HydrophobicContact CH2-CD1 4.4Å; W70-I74 HydrophobicContact CZ2-CD1 3.87Å; W70-I74 HydrophobicContact CZ2-CG1 4.35Å; W70-I74 WeakPolarHBondContact O-CB 3.49Å; W70-I74 WeakPolarHBondContact O-CG1 3.36Å; W70-I74 PolarHBondContact O-N 3.25Å; Q71-I74 PolarHBondContact O-N 3.05Å; D72-I74 PolarHBondContact O-N 3.24Å; I74-K78 HydrophobicContact CG2-CD 4.26Å; I74-K78 WeakPolarHBondContact O-CB 3.5Å; I74-K78 WeakPolarHBondContact O-CG 3.42Å; I74-K78 PolarHBondContact O-N 3.41Å |
| 75 | K | 89.8 | Confident | 90.4 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.9 | -47.9 | 174.9 | -75.9 | 171.3 | 175.5 | -168.7 | 0 | 112.2 | Q71 D72 I73 V77 K78 F79 S367 | Q71-K75 WeakPolarHBondContact O-CB 3.22Å; Q71-K75 VanDerWaalsContact O-CG 3.27Å; Q71-K75 WeakPolarHBondContact O-CG 3.32Å; Q71-K75 PolarHBondContact O-N 3.14Å; D72-K75 WeakPolarHBondContact O-CB 3.46Å; D72-K75 PolarHBondContact O-N 2.93Å; I73-K75 VanDerWaalsContact C-N 3.29Å; I73-K75 PolarHBondContact O-N 2.88Å; K75-V77 PolarHBondContact O-N 3.23Å; K75-K78 PolarHBondContact O-N 2.97Å; K75-F79 WeakPolarHBondContact O-CB 3.49Å; K75-F79 PolarHBondContact O-N 3.18Å; K75-S367 PolarHBondContact NZ-OG 2.78Å |
| 76 | E | 92 | Very high | 91.2 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | -179.7 | -169.4 | 173.9 | 164.7 | 0 | 0 | 111.3 | K57 D72 I73 F79 L80 L103 | K57-E76 IonicContact NZ-OE1 2.83Å; K57-E76 PolarHBondContact NZ-OE1 3.04Å; K57-E76 IonicContact NZ-OE2 3.75Å; K57-E76 PolarHBondContact NZ-OE2 3.48Å; D72-E76 PolarHBondContact O-N 2.83Å; I73-E76 PolarHBondContact O-N 2.88Å; E76-F79 PolarHBondContact O-N 3.43Å; E76-L80 HydrophobicContact CG-CD1 4.03Å; E76-L80 WeakPolarHBondContact O-CB 3.46Å; E76-L80 WeakPolarHBondContact O-CG 3.02Å; E76-L80 PolarHBondContact O-N 2.95Å; E76-L103 HydrophobicContact CG-CD2 4.17Å; E76-L103 WeakPolarHBondContact OE1-CD2 3.48Å |
| 77 | V | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.7 | -46.3 | 175.5 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | L18 I73 K75 F79 L80 Q81 Y91 C94 L103 | L18-V77 HydrophobicContact CB-CG1 4.07Å; I73-V77 WeakPolarHBondContact O-CG2 3.29Å; I73-V77 PolarHBondContact O-N 3Å; K75-V77 PolarHBondContact O-N 3.23Å; V77-F79 PolarHBondContact O-N 3.29Å; V77-L80 PolarHBondContact O-N 2.95Å; V77-Q81 HydrophobicContact CG1-CG 4.46Å; V77-Q81 WeakPolarHBondContact O-CB 3.11Å; V77-Q81 WeakPolarHBondContact O-CG 3.45Å; V77-Q81 PolarHBondContact O-N 3.2Å; V77-Y91 HydrophobicContact CG1-CE2 4.44Å; V77-C94 HydrophobicContact CG1-CB 4.23Å; V77-C94 HydrophobicContact CG2-CB 3.94Å; V77-L103 HydrophobicContact CG2-CD1 4.48Å |
| 78 | K | 93.1 | Very high | 92.5 | Very high | 73 Ų | 73 | 49.9 Ų | 49.9 | 32% | 0.317 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.9 | -24.8 | 177.2 | -74 | -168 | -176 | -155.5 | 0 | 113.2 | D14 L18 I74 K75 R82 | D14-K78 WeakPolarHBondContact O-CE 3.45Å; D14-K78 PolarHBondContact O-NZ 2.79Å; D14-K78 VanDerWaalsContact O-NZ 3.08Å; L18-K78 HydrophobicContact CD1-CD 4.39Å; L18-K78 VanDerWaalsContact CD1-CE 3.41Å; L18-K78 HydrophobicContact CD1-CG 4.06Å; L18-K78 HydrophobicContact CD2-CD 4.4Å; L18-K78 HydrophobicContact CD2-CG 3.77Å; I74-K78 HydrophobicContact CG2-CD 4.26Å; I74-K78 WeakPolarHBondContact O-CB 3.5Å; I74-K78 WeakPolarHBondContact O-CG 3.42Å; I74-K78 PolarHBondContact O-N 3.41Å; K75-K78 PolarHBondContact O-N 2.97Å; K78-R82 WeakPolarHBondContact O-CD 3.36Å; K78-R82 WeakPolarHBondContact O-CG 3.38Å |
| 79 | F | 94.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.8 | -51.9 | 171.5 | -168.9 | -81.1 | 0 | 0 | 0 | 110.8 | K75 E76 V77 Q81 R82 I83 L142 M147 F170 A173 I175 | K75-F79 WeakPolarHBondContact O-CB 3.49Å; K75-F79 PolarHBondContact O-N 3.18Å; E76-F79 PolarHBondContact O-N 3.43Å; V77-F79 PolarHBondContact O-N 3.29Å; F79-Q81 VanDerWaalsContact C-N 3.29Å; F79-Q81 PolarHBondContact O-N 3.34Å; F79-R82 WeakPolarHBondContact O-CB 3.47Å; F79-R82 PolarHBondContact O-N 3.36Å; F79-I83 HydrophobicContact CD1-CD1 4.18Å; F79-I83 HydrophobicContact CD1-CG2 4.12Å; F79-I83 HydrophobicContact CE1-CD1 3.99Å; F79-I83 HydrophobicContact CE1-CG2 3.72Å; F79-I83 HydrophobicContact CZ-CG2 4.31Å; F79-I83 PolarHBondContact O-N 2.94Å; F79-L142 HydrophobicContact CE1-CD2 4.1Å; F79-L142 HydrophobicContact CZ-CD2 3.91Å; F79-M147 HydrophobicContact CD2-SD 4.28Å; F79-M147 HydrophobicContact CE2-CB 3.94Å; F79-M147 HydrophobicContact CE2-CG 4.23Å; F79-M147 HydrophobicContact CE2-SD 3.76Å; F79-M147 HydrophobicContact CZ-CB 4.04Å; F79-M147 HydrophobicContact CZ-SD 3.98Å; F79-F170 HydrophobicContact CD1-CB 3.64Å; F79-F170 AromaticContact CD1-CD1 3.84Å; F79-F170 HydrophobicContact CD1-CD1 3.84Å; F79-F170 HydrophobicContact CD1-CD2 4.42Å; F79-F170 AromaticContact CD1-CG 3.7Å; F79-F170 HydrophobicContact CD1-CG 3.7Å; F79-F170 HydrophobicContact CE1-CB 4Å; F79-F170 AromaticContact CE1-CD1 3.27Å; F79-F170 HydrophobicContact CE1-CD1 3.27Å; F79-F170 HydrophobicContact CE1-CD2 4.45Å; F79-F170 AromaticContact CE1-CE1 3.82Å; F79-F170 HydrophobicContact CE1-CE1 3.82Å; F79-F170 AromaticContact CE1-CG 3.64Å; F79-F170 HydrophobicContact CE1-CG 3.64Å; F79-F170 HydrophobicContact CG-CB 4.27Å; F79-F170 AromaticContact CZ-CD1 3.98Å; F79-F170 HydrophobicContact CZ-CD1 3.98Å; F79-F170 HydrophobicContact CZ-CE1 4.5Å; F79-A173 HydrophobicContact CD1-CB 4.34Å; F79-A173 HydrophobicContact CD2-CB 3.64Å; F79-A173 HydrophobicContact CE1-CB 4.15Å; F79-A173 HydrophobicContact CE2-CB 3.44Å; F79-A173 VanDerWaalsContact CE2-CB 3.44Å; F79-A173 HydrophobicContact CG-CB 4.11Å; F79-A173 HydrophobicContact CZ-CB 3.7Å; F79-I175 HydrophobicContact CD2-CG2 3.65Å; F79-I175 HydrophobicContact CE2-CG2 4.35Å |
| 80 | L | 94.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -33.3 | -179.1 | -81.3 | 172 | 0 | 0 | 0 | 113.5 | E76 V77 R82 I83 I89 Y91 L103 M105 F170 | E76-L80 HydrophobicContact CG-CD1 4.03Å; E76-L80 WeakPolarHBondContact O-CB 3.46Å; E76-L80 WeakPolarHBondContact O-CG 3.02Å; E76-L80 PolarHBondContact O-N 2.95Å; V77-L80 PolarHBondContact O-N 2.95Å; L80-R82 PolarHBondContact O-N 2.98Å; L80-I83 HydrophobicContact CD2-CD1 3.97Å; L80-I83 HydrophobicContact CD2-CG1 4.49Å; L80-I89 HydrophobicContact CD2-CG2 3.96Å; L80-Y91 HydrophobicContact CB-CD2 3.87Å; L80-Y91 HydrophobicContact CB-CG 4.02Å; L80-Y91 HydrophobicContact CD1-CD2 4.31Å; L80-L103 HydrophobicContact CD1-CD1 3.8Å; L80-L103 HydrophobicContact CD1-CD2 3.63Å; L80-L103 HydrophobicContact CD1-CG 4.21Å; L80-M105 HydrophobicContact CD1-SD 4.43Å; L80-F170 HydrophobicContact CD2-CD2 3.61Å; L80-F170 HydrophobicContact CD2-CE2 4.07Å; L80-F170 HydrophobicContact CG-CD2 4.3Å |
| 81 | Q | 93.8 | Very high | 94 | Very high | 90 Ų | 90 | 50.5 Ų | 50.5 | 42% | 0.421 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17 | 172.7 | -78.5 | 179.3 | -41.7 | 0 | 0 | 114.6 | V77 F79 Y91 | V77-Q81 HydrophobicContact CG1-CG 4.46Å; V77-Q81 WeakPolarHBondContact O-CB 3.11Å; V77-Q81 WeakPolarHBondContact O-CG 3.45Å; V77-Q81 PolarHBondContact O-N 3.2Å; F79-Q81 VanDerWaalsContact C-N 3.29Å; F79-Q81 PolarHBondContact O-N 3.34Å; Q81-Y91 HydrophobicContact CG-CD1 4.08Å; Q81-Y91 HydrophobicContact CG-CE1 3.48Å; Q81-Y91 VanDerWaalsContact CG-CE1 3.48Å |
| 82 | R | 93.3 | Very high | 94.4 | Very high | 155 Ų | 155 | 48.4 Ų | 48.4 | 59% | 0.585 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -16.5 | -176.1 | -71.1 | 177.4 | 173.1 | -154.4 | -3.8 | 114.1 | K78 F79 L80 M147 | K78-R82 WeakPolarHBondContact O-CD 3.36Å; K78-R82 WeakPolarHBondContact O-CG 3.38Å; F79-R82 WeakPolarHBondContact O-CB 3.47Å; F79-R82 PolarHBondContact O-N 3.36Å; L80-R82 PolarHBondContact O-N 2.98Å; R82-M147 HydrophobicContact CB-CE 4.42Å |
| 83 | I | 94.8 | Very high | 94.9 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.077 | 21% | 0.212 | C | C | . | . | trans | -99.9 | 137.3 | -177 | 68.5 | 179.1 | 0 | 0 | 0 | 110.9 | F79 L80 Y141 L142 M147 F170 | F79-I83 HydrophobicContact CD1-CD1 4.18Å; F79-I83 HydrophobicContact CD1-CG2 4.12Å; F79-I83 HydrophobicContact CE1-CD1 3.99Å; F79-I83 HydrophobicContact CE1-CG2 3.72Å; F79-I83 HydrophobicContact CZ-CG2 4.31Å; F79-I83 PolarHBondContact O-N 2.94Å; L80-I83 HydrophobicContact CD2-CD1 3.97Å; L80-I83 HydrophobicContact CD2-CG1 4.49Å; I83-Y141 HydrophobicContact CB-CE1 3.99Å; I83-Y141 HydrophobicContact CG2-CE1 4.27Å; I83-L142 HydrophobicContact CG2-CD2 3.69Å; I83-M147 HydrophobicContact CG2-CE 3.89Å; I83-M147 HydrophobicContact CG2-SD 4.14Å; I83-F170 HydrophobicContact CD1-CD2 4.03Å; I83-F170 HydrophobicContact CD1-CE1 4.34Å; I83-F170 HydrophobicContact CD1-CE2 3.6Å; I83-F170 HydrophobicContact CD1-CZ 3.78Å | ||
| 84 | R | 95.4 | Very high | 95.2 | Very high | 225 Ų | 225 | 48.2 Ų | 48.2 | 85% | 0.849 | 21% | 0.211 | S | C | * | . | trans | -149.9 | 86 | 173.1 | -168.2 | 178.1 | -174.4 | -178.5 | 2.2 | 110.8 | Y141 | R84-Y141 PolarHBondContact N-OH 2.97Š| ||
| 85 | H | 97.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 48.1 Ų | 48.1 | 21% | 0.213 | 21% | 0.21 | C | C | . | . | trans | -136.3 | 144.1 | -179.2 | -170.7 | -103.5 | 0 | 0 | 0 | 110.7 | N87 S88 Q137 Y141 | H85-N87 PolarHBondContact CE1-OD1 2.73Å; H85-N87 VanDerWaalsContact CE1-OD1 3.25Å; H85-N87 PolarHBondContact ND1-N 3.39Å; H85-N87 PolarHBondContact O-N 3.41Å; H85-N87 VanDerWaalsContact O-N 3.09Å; H85-S88 PolarHBondContact N-OG 2.78Å; H85-S88 VanDerWaalsContact N-OG 3.15Å; H85-S88 PolarHBondContact O-N 2.83Å; H85-S88 PolarHBondContact O-OG 3.21Å; H85-Q137 PolarHBondContact CE1-O 2.92Å; H85-Y141 HydrophobicContact CB-CD1 3.52Å; H85-Y141 HydrophobicContact CB-CD2 3.92Å; H85-Y141 HydrophobicContact CB-CE1 3.84Å; H85-Y141 HydrophobicContact CB-CE2 4.2Å; H85-Y141 HydrophobicContact CB-CG 3.57Å; H85-Y141 AromaticContact CD2-CD2 3.58Å; H85-Y141 AromaticContact CD2-CG 3.59Å; H85-Y141 AromaticContact CG-CD1 3.99Å; H85-Y141 AromaticContact CG-CD2 3.93Å; H85-Y141 AromaticContact CG-CG 3.56Å | ||
| 86 | P | 97.6 | Very high | 95.6 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -32.8 | 177.2 | 17.3 | -32.8 | 0 | 0 | 0 | 113.8 | Q164 K166 | P86-Q164 PolarHBondContact O-OE1 3.37Å; P86-K166 VanDerWaalsContact O-CD 3.27Å; P86-K166 WeakPolarHBondContact O-CD 3.19Å; P86-K166 VanDerWaalsContact O-CE 3.29Å; P86-K166 WeakPolarHBondContact O-CE 3.17Å; P86-K166 PolarHBondContact O-NZ 2.86Å |
| 87 | N | 98.4 | Very high | 95.5 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 14.5 | 179.3 | -50.9 | 96.3 | 0 | 0 | 0 | 115.3 | H85 G134 Q137 V165 L167 | H85-N87 PolarHBondContact CE1-OD1 2.73Å; H85-N87 VanDerWaalsContact CE1-OD1 3.25Å; H85-N87 PolarHBondContact ND1-N 3.39Å; H85-N87 PolarHBondContact O-N 3.41Å; H85-N87 VanDerWaalsContact O-N 3.09Å; N87-G134 WeakPolarHBondContact CB-O 3.39Å; N87-G134 VanDerWaalsContact CG-O 3.29Å; N87-G134 PolarHBondContact ND2-O 3.39Å; N87-Q137 PolarHBondContact OD1-OE1 2.9Å; N87-V165 WeakPolarHBondContact CA-O 3.26Å; N87-V165 PolarHBondContact ND2-O 3.3Å; N87-L167 PolarHBondContact O-N 3.03Å |
| 88 | S | 97.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -109.5 | 145.6 | 164 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | H85 E90 | H85-S88 PolarHBondContact N-OG 2.78Å; H85-S88 VanDerWaalsContact N-OG 3.15Å; H85-S88 PolarHBondContact O-N 2.83Å; H85-S88 PolarHBondContact O-OG 3.21Å; S88-E90 PolarHBondContact O-N 2.9Å |
| 89 | I | 96.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 129.3 | 175.9 | -155.9 | 71.2 | 0 | 0 | 0 | 111 | L80 Y91 M105 E106 C108 L158 K166 L167 A168 F170 | L80-I89 HydrophobicContact CD2-CG2 3.96Å; I89-Y91 PolarHBondContact O-N 3Å; I89-M105 HydrophobicContact CG1-CB 4.09Å; I89-M105 HydrophobicContact CG1-SD 4.29Å; I89-M105 HydrophobicContact CG2-CG 4.49Å; I89-M105 HydrophobicContact CG2-SD 3.84Å; I89-E106 HydrophobicContact CD1-CG 3.45Å; I89-E106 VanDerWaalsContact CD1-CG 3.45Å; I89-E106 HydrophobicContact CG1-CG 3.93Å; I89-C108 VanDerWaalsContact CD1-SG 3.53Å; I89-L158 HydrophobicContact CD1-CD1 4.22Å; I89-K166 HydrophobicContact CD1-CB 4.06Å; I89-K166 HydrophobicContact CD1-CG 4.17Å; I89-L167 PolarHBondContact N-O 3.01Å; I89-A168 HydrophobicContact CB-CB 4.28Å; I89-A168 HydrophobicContact CG2-CB 4.41Å; I89-F170 HydrophobicContact CG2-CE2 4.07Å |
| 90 | E | 96.9 | Very high | 95.1 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 43% | 0.425 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 121.3 | 178.7 | -174.8 | -176.9 | -122.8 | 0 | 0 | 110.5 | S88 K92 M105 E106 | S88-E90 PolarHBondContact O-N 2.9Å; E90-K92 HydrophobicContact CG-CG 4.47Å; E90-K92 VanDerWaalsContact OE2-CE 3.3Å; E90-K92 WeakPolarHBondContact OE2-CE 3.42Å; E90-K92 IonicContact OE2-NZ 3.94Å; E90-K92 PolarHBondContact OE2-NZ 2.82Å; E90-M105 CarbonylContact O-C 3.51Å; E90-M105 WeakPolarHBondContact O-CA 3.46Å; E90-M105 WeakPolarHBondContact O-CB 3.4Å; E90-E106 HydrophobicContact CB-CB 4.12Å; E90-E106 HydrophobicContact CB-CG 4.05Å; E90-E106 WeakPolarHBondContact CB-OE1 3.37Å; E90-E106 PolarHBondContact N-OE1 3.09Å; E90-E106 PolarHBondContact O-N 3.46Å |
| 91 | Y | 97.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 19% | 0.192 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 118 | 169.8 | 173.8 | -108 | 0 | 0 | 0 | 110.9 | V77 L80 Q81 I89 G93 C94 L103 | V77-Y91 HydrophobicContact CG1-CE2 4.44Å; L80-Y91 HydrophobicContact CB-CD2 3.87Å; L80-Y91 HydrophobicContact CB-CG 4.02Å; L80-Y91 HydrophobicContact CD1-CD2 4.31Å; Q81-Y91 HydrophobicContact CG-CD1 4.08Å; Q81-Y91 HydrophobicContact CG-CE1 3.48Å; Q81-Y91 VanDerWaalsContact CG-CE1 3.48Å; I89-Y91 PolarHBondContact O-N 3Å; Y91-G93 VanDerWaalsContact CZ-CA 3.45Å; Y91-C94 HydrophobicContact CE2-CB 4.33Å; Y91-C94 PolarHBondContact OH-N 2.9Å; Y91-C94 VanDerWaalsContact OH-N 3.08Å; Y91-L103 HydrophobicContact CD2-CD1 3.59Å; Y91-L103 HydrophobicContact CE2-CD1 3.46Å; Y91-L103 VanDerWaalsContact CE2-CD1 3.46Å |
| 92 | K | 96 | Very high | 95.2 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -13.2 | 178.2 | -64.6 | -178 | -179.1 | -71.9 | 0 | 113.4 | E52 V54 E90 V104 | E52-K92 VanDerWaalsContact CD-NZ 3.32Å; E52-K92 VanDerWaalsContact OE1-CE 3.23Å; E52-K92 WeakPolarHBondContact OE1-CE 3.28Å; E52-K92 IonicContact OE1-NZ 3.04Å; E52-K92 PolarHBondContact OE1-NZ 2.93Å; E52-K92 IonicContact OE2-NZ 3.05Å; E52-K92 PolarHBondContact OE2-NZ 3.45Å; V54-K92 HydrophobicContact CG1-CD 3.82Å; E90-K92 HydrophobicContact CG-CG 4.47Å; E90-K92 VanDerWaalsContact OE2-CE 3.3Å; E90-K92 WeakPolarHBondContact OE2-CE 3.42Å; E90-K92 IonicContact OE2-NZ 3.94Å; E90-K92 PolarHBondContact OE2-NZ 2.82Å; K92-V104 HydrophobicContact CB-CB 4.46Å; K92-V104 HydrophobicContact CB-CG1 4.15Å; K92-V104 PolarHBondContact N-O 3.09Å |
| 93 | G | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | 170.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y91 V104 | Y91-G93 VanDerWaalsContact CZ-CA 3.45Å; G93-V104 PolarHBondContact N-O 2.86Å; G93-V104 PolarHBondContact O-N 3.48Å |
| 94 | C | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.1 | 168.8 | -158 | 0 | 0 | 0 | 0 | 110.3 | F19 F20 V77 Y91 W102 | F19-C94 CarbonylContact C-O 3.56Å; F19-C94 WeakPolarHBondContact CA-O 3.27Å; F19-C94 HydrophobicContact CD1-CB 4.02Å; F19-C94 HydrophobicContact CE1-CB 4.3Å; F20-C94 PolarHBondContact N-O 3.04Å; V77-C94 HydrophobicContact CG1-CB 4.23Å; V77-C94 HydrophobicContact CG2-CB 3.94Å; Y91-C94 HydrophobicContact CE2-CB 4.33Å; Y91-C94 PolarHBondContact OH-N 2.9Å; Y91-C94 VanDerWaalsContact OH-N 3.08Å; C94-W102 WeakPolarHBondContact CA-O 3.28Å |
| 95 | Y | 96.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.2 | -178.9 | -58.4 | -103.4 | 0 | 0 | 0 | 109.4 | F20 E22 P24 L27 F28 R49 A101 W102 V104 | F20-Y95 HydrophobicContact CB-CD1 3.52Å; F20-Y95 HydrophobicContact CB-CE1 3.42Å; F20-Y95 VanDerWaalsContact CB-CE1 3.42Å; F20-Y95 HydrophobicContact CB-CG 4.21Å; F20-Y95 HydrophobicContact CD2-CE1 4.35Å; F20-Y95 HydrophobicContact CD2-CE2 4.34Å; F20-Y95 HydrophobicContact CG-CD1 4.49Å; F20-Y95 HydrophobicContact CG-CE1 4.02Å; E22-Y95 HydrophobicContact CB-CD1 4.3Å; E22-Y95 HydrophobicContact CB-CE1 4.11Å; P24-Y95 HydrophobicContact CB-CD1 4.48Å; P24-Y95 HydrophobicContact CB-CG 4.12Å; L27-Y95 HydrophobicContact CD1-CD1 3.93Å; L27-Y95 HydrophobicContact CD1-CE1 3.29Å; F28-Y95 HydrophobicContact CE2-CD2 4.05Å; F28-Y95 AromaticContact CE2-CE2 3.8Å; F28-Y95 HydrophobicContact CE2-CE2 3.8Å; F28-Y95 AromaticContact CZ-CE2 3.88Å; F28-Y95 HydrophobicContact CZ-CE2 3.88Å; R49-Y95 PolarHBondContact NH2-OH 3.46Å; Y95-A101 CarbonylContact O-C 3.6Å; Y95-A101 WeakPolarHBondContact O-CA 3.46Å; Y95-W102 PolarHBondContact N-O 3.25Å; Y95-W102 PolarHBondContact O-N 3.02Å; Y95-V104 HydrophobicContact CD2-CG2 3.77Å; Y95-V104 HydrophobicContact CE2-CB 4.47Å; Y95-V104 HydrophobicContact CE2-CG2 3.75Å |
| 96 | L | 94.1 | Very high | 95.5 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 20% | 0.199 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124 | -177.8 | -158.7 | 72 | 0 | 0 | 0 | 111.7 | L10 F19 Y61 W70 A101 | L10-L96 HydrophobicContact CD1-CD2 3.8Å; L10-L96 HydrophobicContact CD2-CD2 4.07Å; L10-L96 HydrophobicContact CG-CD2 3.98Å; F19-L96 HydrophobicContact CB-CB 4.4Å; F19-L96 HydrophobicContact CD1-CB 4.25Å; F19-L96 HydrophobicContact CD1-CD1 4.23Å; F19-L96 HydrophobicContact CE1-CD1 4.11Å; F19-L96 HydrophobicContact CG-CB 4.36Å; Y61-L96 HydrophobicContact CE1-CD1 3.66Å; Y61-L96 WeakPolarHBondContact OH-CD1 3.4Å; W70-L96 HydrophobicContact CH2-CD1 3.88Å; W70-L96 HydrophobicContact CH2-CD2 4.22Å; W70-L96 HydrophobicContact CZ3-CD1 3.73Å; L96-A101 HydrophobicContact CD1-CB 4.23Å |
| 97 | R | 91.2 | Very high | 95.4 | Very high | 76 Ų | 76 | 34.5 Ų | 34.5 | 29% | 0.287 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 117.8 | 174.4 | -174.1 | 55.8 | 156.9 | -145.3 | -19.7 | 110.2 | D23 P24 E25 H99 T100 | D23-R97 VanDerWaalsContact CG-CZ 3.47Å; D23-R97 IonicContact OD1-CZ 2.7Å; D23-R97 IonicContact OD1-NE 4Å; D23-R97 IonicContact OD1-NH1 3.72Å; D23-R97 PolarHBondContact OD1-NH1 2.85Å; D23-R97 IonicContact OD1-NH2 3.98Å; D23-R97 PolarHBondContact OD1-NH2 2.85Å; D23-R97 IonicContact OD2-CZ 3.27Å; D23-R97 VanDerWaalsContact OD2-CZ 3.29Å; D23-R97 IonicContact OD2-NH1 3.19Å; D23-R97 PolarHBondContact OD2-NH1 3.22Å; D23-R97 IonicContact OD2-NH2 2.68Å; D23-R97 PolarHBondContact OD2-NH2 3.26Å; P24-R97 HydrophobicContact CG-CB 4.04Å; E25-R97 HydrophobicContact CG-CG 4.41Å; E25-R97 IonicContact OE2-CZ 3.7Å; E25-R97 IonicContact OE2-NE 2.65Å; E25-R97 PolarHBondContact OE2-NE 3.32Å; E25-R97 IonicContact OE2-NH2 3.4Å; E25-R97 PolarHBondContact OE2-NH2 2.93Å; R97-H99 PolarHBondContact O-N 2.74Å; R97-T100 PolarHBondContact N-O 2.91Å; R97-T100 PolarHBondContact O-N 3.3Å; R97-T100 VanDerWaalsContact O-O 3.12Å |
| 98 | E | 88.1 | Confident | 95.3 | Very high | 156 Ų | 156 | 34.3 Ų | 34.3 | 73% | 0.729 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | -97.6 | -179.2 | -56.1 | -177.7 | 166.9 | 0 | 0 | 114 | Y61 | Y61-E98 PolarHBondContact OH-O 2.72Š|
| 99 | H | 90.6 | Very high | 95.1 | Very high | 113 Ų | 113 | 34.3 Ų | 34.3 | 52% | 0.523 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 25.1 | 179.5 | -61.1 | 90.4 | 0 | 0 | 0 | 112.1 | S60 Y61 R97 | S60-H99 WeakPolarHBondContact CA-O 3.39Å; S60-H99 PolarHBondContact OG-O 3.18Å; Y61-H99 WeakPolarHBondContact CD1-O 3.39Å; Y61-H99 HydrophobicContact CE2-CB 4.27Å; Y61-H99 VanDerWaalsContact CZ-CA 3.47Å; Y61-H99 PolarHBondContact N-O 3.04Å; R97-H99 PolarHBondContact O-N 2.74Å |
| 100 | T | 93.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 22% | 0.221 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.7 | -176 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | K58 M59 R97 | K58-T100 HydrophobicContact CB-CG2 3.96Å; M59-T100 WeakPolarHBondContact O-CA 3.21Å; R97-T100 PolarHBondContact N-O 2.91Å; R97-T100 PolarHBondContact O-N 3.3Å; R97-T100 VanDerWaalsContact O-O 3.12Å |
| 101 | A | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 135.6 | 166 | 0 | 0 | 0 | 0 | 0 | 109.6 | F19 K58 M59 I73 Y95 L96 | F19-A101 HydrophobicContact CE1-CB 4.15Å; K58-A101 CarbonylContact C-O 3.59Å; K58-A101 WeakPolarHBondContact CA-O 3.23Å; M59-A101 PolarHBondContact N-O 2.8Å; M59-A101 PolarHBondContact O-N 2.82Å; I73-A101 HydrophobicContact CD1-CB 4.23Å; I73-A101 HydrophobicContact CG2-CB 3.71Å; Y95-A101 CarbonylContact O-C 3.6Å; Y95-A101 WeakPolarHBondContact O-CA 3.46Å; L96-A101 HydrophobicContact CD1-CB 4.23Å |
| 102 | W | 96.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 28.3 Ų | 28.3 | 4% | 0.038 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 98.5 | 177.1 | -67.6 | 48.2 | 0 | 0 | 0 | 107.5 | P24 E25 F28 L31 I56 K58 C94 Y95 | P24-W102 HydrophobicContact CB-CB 4.47Å; P24-W102 HydrophobicContact CB-CD2 3.84Å; P24-W102 HydrophobicContact CB-CE3 3.68Å; P24-W102 HydrophobicContact CB-CG 4.23Å; P24-W102 HydrophobicContact CB-CZ3 4.05Å; P24-W102 HydrophobicContact CG-CD2 3.85Å; P24-W102 HydrophobicContact CG-CE3 4.18Å; P24-W102 HydrophobicContact CG-CG 4.06Å; P24-W102 HydrophobicContact CG-CZ2 4.34Å; E25-W102 HydrophobicContact CG-CH2 3.7Å; E25-W102 HydrophobicContact CG-CZ2 3.67Å; F28-W102 HydrophobicContact CD2-CE3 4.49Å; L31-W102 HydrophobicContact CD2-CH2 4.03Å; L31-W102 HydrophobicContact CD2-CZ3 3.84Å; I56-W102 HydrophobicContact CD1-CE3 4.26Å; I56-W102 HydrophobicContact CG2-CB 3.98Å; I56-W102 HydrophobicContact CG2-CD2 4.33Å; I56-W102 HydrophobicContact CG2-CE3 3.86Å; I56-W102 HydrophobicContact CG2-CG 4.41Å; K58-W102 HydrophobicContact CD-CD2 4.1Å; K58-W102 HydrophobicContact CD-CZ2 4.27Å; K58-W102 HydrophobicContact CG-CD2 4.16Å; K58-W102 HydrophobicContact CG-CG 4.21Å; C94-W102 WeakPolarHBondContact CA-O 3.28Å; Y95-W102 PolarHBondContact N-O 3.25Å; Y95-W102 PolarHBondContact O-N 3.02Å |
| 103 | L | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 114.7 | 178.2 | 170.6 | 58.4 | 0 | 0 | 0 | 109.5 | I56 K57 M59 E76 V77 L80 Y91 M105 | I56-L103 CarbonylContact C-O 3.57Å; I56-L103 WeakPolarHBondContact CA-O 3.37Å; K57-L103 HydrophobicContact CB-CB 4.27Å; K57-L103 HydrophobicContact CD-CD2 4.34Å; K57-L103 PolarHBondContact N-O 3.12Å; K57-L103 PolarHBondContact O-N 3.44Å; M59-L103 HydrophobicContact CE-CB 3.72Å; M59-L103 HydrophobicContact CE-CD2 3.73Å; M59-L103 HydrophobicContact CE-CG 4.39Å; E76-L103 HydrophobicContact CG-CD2 4.17Å; E76-L103 WeakPolarHBondContact OE1-CD2 3.48Å; V77-L103 HydrophobicContact CG2-CD1 4.48Å; L80-L103 HydrophobicContact CD1-CD1 3.8Å; L80-L103 HydrophobicContact CD1-CD2 3.63Å; L80-L103 HydrophobicContact CD1-CG 4.21Å; Y91-L103 HydrophobicContact CD2-CD1 3.59Å; Y91-L103 HydrophobicContact CE2-CD1 3.46Å; Y91-L103 VanDerWaalsContact CE2-CD1 3.46Å; L103-M105 HydrophobicContact CD2-SD 4.48Å; L103-M105 HydrophobicContact CG-CE 4.37Å; L103-M105 HydrophobicContact CG-CG 4.42Å; L103-M105 HydrophobicContact CG-SD 4.34Å |
| 104 | V | 97.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.2 | -173.6 | -170.2 | 0 | 0 | 0 | 0 | 110 | F28 V54 A55 I56 K92 G93 Y95 | F28-V104 HydrophobicContact CE1-CG1 4.09Å; F28-V104 HydrophobicContact CE2-CG2 3.86Å; F28-V104 HydrophobicContact CZ-CG1 4.04Å; F28-V104 HydrophobicContact CZ-CG2 3.82Å; V54-V104 HydrophobicContact CB-CG1 3.87Å; V54-V104 HydrophobicContact CG1-CG1 4.19Å; V54-V104 HydrophobicContact CG2-CG1 3.96Å; A55-V104 CarbonylContact O-C 3.58Å; A55-V104 WeakPolarHBondContact O-CA 3.49Å; I56-V104 HydrophobicContact CD1-CG2 4.46Å; I56-V104 HydrophobicContact CG1-CG1 4.37Å; I56-V104 HydrophobicContact CG1-CG2 4.23Å; I56-V104 HydrophobicContact CG2-CG2 4.48Å; K92-V104 HydrophobicContact CB-CB 4.46Å; K92-V104 HydrophobicContact CB-CG1 4.15Å; K92-V104 PolarHBondContact N-O 3.09Å; G93-V104 PolarHBondContact N-O 2.86Å; G93-V104 PolarHBondContact O-N 3.48Å; Y95-V104 HydrophobicContact CD2-CG2 3.77Å; Y95-V104 HydrophobicContact CE2-CB 4.47Å; Y95-V104 HydrophobicContact CE2-CG2 3.75Å |
| 105 | M | 96.8 | Very high | 94.5 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 8% | 0.084 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 168.5 | -174.3 | -63.3 | 171.6 | -69.4 | 0 | 0 | 110.6 | V54 A55 K57 L80 I89 E90 L103 | V54-M105 WeakPolarHBondContact CB-O 3.39Å; A55-M105 PolarHBondContact N-O 3.49Å; A55-M105 PolarHBondContact O-N 2.91Å; K57-M105 HydrophobicContact CB-CE 3.9Å; L80-M105 HydrophobicContact CD1-SD 4.43Å; I89-M105 HydrophobicContact CG1-CB 4.09Å; I89-M105 HydrophobicContact CG1-SD 4.29Å; I89-M105 HydrophobicContact CG2-CG 4.49Å; I89-M105 HydrophobicContact CG2-SD 3.84Å; E90-M105 CarbonylContact O-C 3.51Å; E90-M105 WeakPolarHBondContact O-CA 3.46Å; E90-M105 WeakPolarHBondContact O-CB 3.4Å; L103-M105 HydrophobicContact CD2-SD 4.48Å; L103-M105 HydrophobicContact CG-CE 4.37Å; L103-M105 HydrophobicContact CG-CG 4.42Å; L103-M105 HydrophobicContact CG-SD 4.34Å |
| 106 | E | 95.9 | Very high | 94.4 | Very high | 27 Ų | 27 | 28.3 Ų | 28.3 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 149.6 | 165.6 | 69 | -177.3 | 126.4 | 0 | 0 | 111.8 | A55 I89 E90 K166 | A55-E106 WeakPolarHBondContact CB-O 3.29Å; I89-E106 HydrophobicContact CD1-CG 3.45Å; I89-E106 VanDerWaalsContact CD1-CG 3.45Å; I89-E106 HydrophobicContact CG1-CG 3.93Å; E90-E106 HydrophobicContact CB-CB 4.12Å; E90-E106 HydrophobicContact CB-CG 4.05Å; E90-E106 WeakPolarHBondContact CB-OE1 3.37Å; E90-E106 PolarHBondContact N-OE1 3.09Å; E90-E106 PolarHBondContact O-N 3.46Å; E106-K166 VanDerWaalsContact CD-CE 3.46Å; E106-K166 VanDerWaalsContact CD-NZ 3.27Å; E106-K166 WeakPolarHBondContact OE1-CD 3.38Å; E106-K166 WeakPolarHBondContact OE1-CE 3.48Å; E106-K166 IonicContact OE1-NZ 2.65Å; E106-K166 PolarHBondContact OE1-NZ 3.08Å; E106-K166 WeakPolarHBondContact OE2-CE 3.34Å; E106-K166 IonicContact OE2-NZ 2.71Å; E106-K166 PolarHBondContact OE2-NZ 3.26Å |
| 107 | Y | 96.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 29 Ų | 29 | 8% | 0.075 | 14% | 0.144 | C | C | . | . | trans | -88.3 | 128.1 | 175.7 | 173.7 | -107.9 | 0 | 0 | 0 | 111.4 | I34 F44 V53 K314 Q318 | I34-Y107 HydrophobicContact CD1-CD2 4.24Å; I34-Y107 HydrophobicContact CD1-CE2 3.97Å; F44-Y107 HydrophobicContact CB-CE2 4.35Å; F44-Y107 HydrophobicContact CD2-CD2 4.1Å; F44-Y107 HydrophobicContact CD2-CE1 4.21Å; F44-Y107 AromaticContact CD2-CE2 3.78Å; F44-Y107 HydrophobicContact CD2-CE2 3.78Å; F44-Y107 HydrophobicContact CD2-CG 4.47Å; F44-Y107 AromaticContact CD2-CZ 3.84Å; F44-Y107 HydrophobicContact CE2-CE1 4.41Å; V53-Y107 HydrophobicContact CG1-CD1 3.64Å; V53-Y107 HydrophobicContact CG1-CD2 4.43Å; V53-Y107 HydrophobicContact CG1-CE1 4.35Å; V53-Y107 HydrophobicContact CG1-CG 3.69Å; Y107-K314 PolarHBondContact OH-O 2.93Å; Y107-K314 VanDerWaalsContact OH-O 3.08Å; Y107-Q318 VanDerWaalsContact CD1-OE1 3.26Å; Y107-Q318 HydrophobicContact CE1-CB 4.37Å; Y107-Q318 VanDerWaalsContact CE1-OE1 3.32Å | ||
| 108 | C | 95.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | trans | -106.3 | 147.9 | 170.7 | -70.8 | 0 | 0 | 0 | 0 | 110.6 | I89 G110 L158 L159 | I89-C108 VanDerWaalsContact CD1-SG 3.53Å; C108-G110 VanDerWaalsContact C-N 3.31Å; C108-G110 PolarHBondContact O-N 2.88Å; C108-L158 HydrophobicContact CB-CB 3.73Å; C108-L158 HydrophobicContact CB-CD1 4.04Å; C108-L158 HydrophobicContact CB-CG 4.5Å; C108-L159 CarbonylContact C-O 3.58Å; C108-L159 WeakPolarHBondContact CB-O 3.38Å | ||
| 109 | L | 92.9 | Very high | 94.4 | Very high | 6 Ų | 6 | 19.6 Ų | 19.6 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -57.3 | -44.1 | 178.6 | -171.3 | 82.4 | 0 | 0 | 0 | 111.7 | L159 I294 I315 | L109-L159 WeakPolarHBondContact CB-O 3.28Å; L109-L159 PolarHBondContact N-O 2.73Å; L109-I294 HydrophobicContact CD2-CB 4.26Å; L109-I294 HydrophobicContact CD2-CG1 3.9Å; L109-I294 HydrophobicContact CD2-CG2 3.69Å; L109-I315 HydrophobicContact CD1-CG2 4.29Å; L109-I315 WeakPolarHBondContact CD1-O 3.39Å; L109-I315 HydrophobicContact CD2-CG2 4.14Å; L109-I315 HydrophobicContact CG-CG2 4.08Å; L109-I315 VanDerWaalsContact O-CD1 3.3Å; L109-I315 WeakPolarHBondContact O-CD1 3.46Å |
| 110 | G | 93.3 | Very high | 94.4 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 10% | 0.103 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179 | -179.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | C108 L158 L159 | C108-G110 VanDerWaalsContact C-N 3.31Å; C108-G110 PolarHBondContact O-N 2.88Å; G110-L158 WeakPolarHBondContact O-CA 3.31Å; G110-L159 PolarHBondContact O-N 2.76Å |
| 111 | S | 96 | Very high | 94.3 | Very high | 9 Ų | 9 | 22.8 Ų | 22.8 | 6% | 0.063 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 160 | 172.6 | 67.3 | 0 | 0 | 0 | 0 | 112.2 | S113 D114 L115 G155 I157 | S111-S113 PolarHBondContact O-N 2.88Å; S111-D114 WeakPolarHBondContact CB-OD2 3.46Å; S111-D114 PolarHBondContact N-OD2 3.03Å; S111-D114 WeakPolarHBondContact O-CB 3.25Å; S111-D114 PolarHBondContact O-N 3.01Å; S111-D114 PolarHBondContact OG-N 3.08Å; S111-D114 VanDerWaalsContact OG-N 3.07Å; S111-D114 PolarHBondContact OG-OD2 3.34Å; S111-L115 PolarHBondContact O-N 2.95Å; S111-G155 WeakPolarHBondContact CB-O 3.3Å; S111-I157 CarbonylContact C-O 3.59Å; S111-I157 WeakPolarHBondContact CA-O 3.41Å |
| 112 | A | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.5 | -28.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L115 L116 I131 A154 I157 L159 L218 | A112-L115 WeakPolarHBondContact O-CB 3.31Å; A112-L115 PolarHBondContact O-N 3.43Å; A112-L116 PolarHBondContact O-N 2.83Å; A112-I131 HydrophobicContact CB-CD1 4.28Å; A112-I131 HydrophobicContact CB-CG2 4.44Å; A112-A154 HydrophobicContact CB-CB 4.11Å; A112-A154 PolarHBondContact N-O 3.44Å; A112-A154 VanDerWaalsContact N-O 3.14Å; A112-I157 PolarHBondContact N-O 2.71Å; A112-L159 HydrophobicContact CB-CD1 4.31Å; A112-L218 HydrophobicContact CB-CD2 3.9Å |
| 113 | S | 94.6 | Very high | 94.3 | Very high | 41 Ų | 41 | 25.3 Ų | 25.3 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -66.3 | -35.6 | 170.8 | -157.6 | 0 | 0 | 0 | 0 | 112.7 | S111 L115 L116 E117 A154 | S111-S113 PolarHBondContact O-N 2.88Å; S113-L115 VanDerWaalsContact C-N 3.3Å; S113-L115 PolarHBondContact O-N 3.01Å; S113-L116 PolarHBondContact O-N 3.46Å; S113-E117 PolarHBondContact O-N 3.5Å; S113-A154 PolarHBondContact N-O 3.31Å |
| 114 | D | 93.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.9 | -35.9 | 172.9 | -64.3 | -61.1 | 0 | 0 | 0 | 111.5 | S111 E117 V118 K314 I315 | S111-D114 WeakPolarHBondContact CB-OD2 3.46Å; S111-D114 PolarHBondContact N-OD2 3.03Å; S111-D114 WeakPolarHBondContact O-CB 3.25Å; S111-D114 PolarHBondContact O-N 3.01Å; S111-D114 PolarHBondContact OG-N 3.08Å; S111-D114 VanDerWaalsContact OG-N 3.07Å; S111-D114 PolarHBondContact OG-OD2 3.34Å; D114-E117 PolarHBondContact O-N 2.68Å; D114-V118 WeakPolarHBondContact O-CG2 3.46Å; D114-V118 PolarHBondContact O-N 3.01Å; D114-K314 VanDerWaalsContact CG-CE 3.44Å; D114-K314 WeakPolarHBondContact OD1-CE 3.15Å; D114-K314 IonicContact OD1-NZ 2.79Å; D114-K314 PolarHBondContact OD1-NZ 3.47Å; D114-K314 IonicContact OD2-NZ 3.2Å; D114-K314 PolarHBondContact OD2-NZ 2.83Å; D114-I315 HydrophobicContact CB-CD1 4.43Å |
| 115 | L | 94.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 175.6 | -49.8 | -179.3 | 0 | 0 | 0 | 111.2 | S111 A112 S113 E117 V118 H119 L123 I131 L159 L293 T297 | S111-L115 PolarHBondContact O-N 2.95Å; A112-L115 WeakPolarHBondContact O-CB 3.31Å; A112-L115 PolarHBondContact O-N 3.43Å; S113-L115 VanDerWaalsContact C-N 3.3Å; S113-L115 PolarHBondContact O-N 3.01Å; L115-E117 VanDerWaalsContact C-N 3.3Å; L115-E117 PolarHBondContact O-N 3.21Å; L115-V118 PolarHBondContact O-N 3.38Å; L115-H119 PolarHBondContact O-CD2 2.85Å; L115-H119 PolarHBondContact O-N 3.39Å; L115-L123 HydrophobicContact CB-CD2 4.23Å; L115-L123 HydrophobicContact CD1-CD1 4.39Å; L115-I131 HydrophobicContact CD1-CD1 4.38Å; L115-L159 HydrophobicContact CD1-CD1 4.02Å; L115-L159 HydrophobicContact CD1-CD2 4.1Å; L115-L293 HydrophobicContact CD1-CD1 4.27Å; L115-L293 HydrophobicContact CD1-CD2 3.79Å; L115-L293 HydrophobicContact CD1-CG 4.1Å; L115-T297 HydrophobicContact CD2-CG2 3.71Å |
| 116 | L | 92.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 174.9 | -66.7 | 171.9 | 0 | 0 | 0 | 112.3 | A112 S113 K120 L123 E217 L218 R221 | A112-L116 PolarHBondContact O-N 2.83Å; S113-L116 PolarHBondContact O-N 3.46Å; L116-K120 WeakPolarHBondContact O-CA 3.26Å; L116-K120 PolarHBondContact O-N 3.47Å; L116-K120 VanDerWaalsContact O-N 3.09Å; L116-L123 HydrophobicContact CD2-CD2 4.48Å; L116-L123 HydrophobicContact CD2-CG 4.04Å; L116-E217 HydrophobicContact CD1-CG 4.3Å; L116-E217 WeakPolarHBondContact CD1-O 3.24Å; L116-L218 HydrophobicContact CD1-CD2 4.05Å; L116-L218 HydrophobicContact CG-CD2 4.35Å; L116-R221 HydrophobicContact CD2-CG 4.25Å |
| 117 | E | 90.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 32 Ų | 32 | 24% | 0.238 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -77.9 | -29.3 | 177.6 | -166.9 | -178.3 | 164.4 | 0 | 0 | 112.7 | S113 D114 L115 K120 K311 M312 | S113-E117 PolarHBondContact O-N 3.5Å; D114-E117 PolarHBondContact O-N 2.68Å; L115-E117 VanDerWaalsContact C-N 3.3Å; L115-E117 PolarHBondContact O-N 3.21Å; E117-K120 WeakPolarHBondContact O-CD 3.39Å; E117-K120 WeakPolarHBondContact O-CE 3.36Å; E117-K120 PolarHBondContact O-NZ 2.88Å; E117-K120 IonicContact OE1-NZ 3.76Å; E117-K311 IonicContact OE1-NZ 2.81Å; E117-K311 PolarHBondContact OE1-NZ 3.23Å; E117-K311 WeakPolarHBondContact OE2-CE 3.38Å; E117-K311 IonicContact OE2-NZ 3.86Å; E117-K311 PolarHBondContact OE2-NZ 3.33Å; E117-M312 HydrophobicContact CB-CE 3.49Å; E117-M312 VanDerWaalsContact CB-CE 3.49Å; E117-M312 HydrophobicContact CG-CE 3.39Å |
| 118 | V | 92.4 | Very high | 94.5 | Very high | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.8 | -56 | 170.3 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | D114 L115 K120 T297 A300 V301 M312 | D114-V118 WeakPolarHBondContact O-CG2 3.46Å; D114-V118 PolarHBondContact O-N 3.01Å; L115-V118 PolarHBondContact O-N 3.38Å; V118-K120 VanDerWaalsContact C-N 3.32Å; V118-K120 PolarHBondContact O-N 2.74Å; V118-T297 HydrophobicContact CB-CG2 4.07Å; V118-T297 HydrophobicContact CG1-CG2 3.89Å; V118-T297 HydrophobicContact CG2-CG2 4.09Å; V118-A300 HydrophobicContact CG1-CB 3.86Å; V118-V301 HydrophobicContact CB-CG2 4.37Å; V118-V301 HydrophobicContact CG1-CG2 3.78Å; V118-V301 HydrophobicContact CG2-CG2 3.57Å; V118-M312 HydrophobicContact CG2-CB 4.14Å; V118-M312 HydrophobicContact CG2-CG 3.86Å; V118-M312 HydrophobicContact CG2-SD 4.08Å |
| 119 | H | 90.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -76.2 | -17.4 | -171.8 | -67.5 | -59.6 | 0 | 0 | 0 | 114.3 | L115 K121 R296 T297 | L115-H119 PolarHBondContact O-CD2 2.85Å; L115-H119 PolarHBondContact O-N 3.39Å; H119-K121 HydrophobicContact CB-CB 4.47Å; H119-K121 WeakPolarHBondContact O-CG 3.48Å; H119-K121 PolarHBondContact O-N 2.66Å; H119-R296 PolarHBondContact CE1-NH1 3.05Å; H119-R296 PolarHBondContact ND1-NH1 3.33Å; H119-R296 VanDerWaalsContact ND1-NH1 3.12Å; H119-R296 PolarHBondContact NE2-NH1 3.38Å; H119-T297 PolarHBondContact NE2-OG1 2.84Å |
| 120 | K | 90.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 30.8 Ų | 30.8 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 51.2 | 22.9 | -171.5 | -50.1 | -62.3 | -175.5 | -152.5 | 0 | 113.8 | L116 E117 V118 R221 Q308 | L116-K120 WeakPolarHBondContact O-CA 3.26Å; L116-K120 PolarHBondContact O-N 3.47Å; L116-K120 VanDerWaalsContact O-N 3.09Å; E117-K120 WeakPolarHBondContact O-CD 3.39Å; E117-K120 WeakPolarHBondContact O-CE 3.36Å; E117-K120 PolarHBondContact O-NZ 2.88Å; E117-K120 IonicContact OE1-NZ 3.76Å; V118-K120 VanDerWaalsContact C-N 3.32Å; V118-K120 PolarHBondContact O-N 2.74Å; K120-R221 VanDerWaalsContact C-CZ 3.41Å; K120-R221 VanDerWaalsContact C-NE 3.33Å; K120-R221 PolarHBondContact O-NE 2.92Å; K120-R221 PolarHBondContact O-NH1 3.04Å; K120-Q308 VanDerWaalsContact NZ-OE1 3.1Å |
| 121 | K | 91.1 | Very high | 95.1 | Very high | 145 Ų | 145 | 30.3 Ų | 30.3 | 63% | 0.63 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -135 | 160.4 | -177.2 | -71 | 175.8 | -176.9 | 178.6 | 0 | 109.2 | H119 | H119-K121 HydrophobicContact CB-CB 4.47Å; H119-K121 WeakPolarHBondContact O-CG 3.48Å; H119-K121 PolarHBondContact O-N 2.66Å |
| 122 | P | 94.6 | Very high | 95.2 | Very high | 59 Ų | 59 | 29.9 Ų | 29.9 | 38% | 0.383 | 15% | 0.152 | S | C | . | . | P | Polyproline II helix | trans | -54.1 | 160.7 | 161.8 | -25 | 36.8 | 0 | 0 | 0 | 112.2 | L218 A219 R221 W250 | P122-L218 WeakPolarHBondContact CA-O 3.3Å; P122-A219 VanDerWaalsContact CB-O 3.24Å; P122-A219 WeakPolarHBondContact CB-O 3.41Å; P122-A219 WeakPolarHBondContact CG-O 3.45Å; P122-R221 HydrophobicContact CG-CG 4.29Å; P122-W250 HydrophobicContact CB-CH2 4.42Å; P122-W250 HydrophobicContact CB-CZ2 4.49Å |
| 123 | L | 97 | Very high | 95.3 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -81.8 | 159.3 | 165.4 | -60.3 | -173 | 0 | 0 | 0 | 110.5 | L115 L116 E127 I128 I131 L218 L293 | L115-L123 HydrophobicContact CB-CD2 4.23Å; L115-L123 HydrophobicContact CD1-CD1 4.39Å; L116-L123 HydrophobicContact CD2-CD2 4.48Å; L116-L123 HydrophobicContact CD2-CG 4.04Å; L123-E127 HydrophobicContact CB-CB 4.13Å; L123-I128 HydrophobicContact CB-CD1 4.5Å; L123-I128 HydrophobicContact CB-CG1 3.89Å; L123-I131 HydrophobicContact CD1-CD1 3.53Å; L123-L218 HydrophobicContact CD1-CD2 4.04Å; L123-L218 PolarHBondContact N-O 3.19Å; L123-L218 VanDerWaalsContact N-O 3.1Å; L123-L293 HydrophobicContact CD1-CD2 4.5Å; L123-L293 HydrophobicContact CD2-CD1 4.02Å |
| 124 | Q | 96.9 | Very high | 95.5 | Very high | 110 Ų | 110 | 29.9 Ų | 29.9 | 51% | 0.514 | 15% | 0.149 | S | C | . | . | P | Polyproline II helix | trans | -69.9 | 150.6 | 175.8 | -57.7 | -179.5 | 65.1 | 0 | 0 | 110.6 | V126 E127 I128 | Q124-V126 HydrophobicContact CB-CG2 4.23Å; Q124-V126 PolarHBondContact O-N 2.79Å; Q124-V126 VanDerWaalsContact O-N 3.1Å; Q124-E127 HydrophobicContact CB-CB 4.34Å; Q124-E127 HydrophobicContact CB-CG 3.97Å; Q124-E127 HydrophobicContact CG-CG 4.48Å; Q124-E127 PolarHBondContact N-OE2 2.88Å; Q124-E127 PolarHBondContact NE2-OE1 3.4Å; Q124-E127 WeakPolarHBondContact O-CA 2.95Å; Q124-E127 WeakPolarHBondContact O-CB 2.94Å; Q124-E127 PolarHBondContact O-N 2.7Å; Q124-I128 WeakPolarHBondContact O-CG1 3.43Å; Q124-I128 PolarHBondContact O-N 3.41Å |
| 125 | E | 97.1 | Very high | 95.7 | Very high | 25 Ų | 25 | 29 Ų | 29 | 12% | 0.117 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.7 | -36 | -177.6 | -167.4 | -174.8 | 89.5 | 0 | 0 | 113.1 | I128 A129 W250 T251 F254 F280 R283 | E125-I128 PolarHBondContact O-N 2.9Å; E125-A129 WeakPolarHBondContact O-CB 3.49Å; E125-A129 PolarHBondContact O-N 2.94Å; E125-W250 HydrophobicContact CB-CE3 4.01Å; E125-W250 HydrophobicContact CB-CZ3 3.89Å; E125-W250 HydrophobicContact CG-CE3 4.17Å; E125-W250 HydrophobicContact CG-CZ3 4.43Å; E125-T251 WeakPolarHBondContact OE1-CG2 3.43Å; E125-T251 PolarHBondContact OE1-OG1 2.93Å; E125-T251 WeakPolarHBondContact OE2-CB 3.3Å; E125-T251 WeakPolarHBondContact OE2-CG2 3.09Å; E125-T251 PolarHBondContact OE2-N 3.41Å; E125-T251 PolarHBondContact OE2-OG1 2.76Å; E125-F254 HydrophobicContact CG-CB 4.21Å; E125-F254 HydrophobicContact CG-CD1 3.96Å; E125-F254 HydrophobicContact CG-CG 4.19Å; E125-F280 HydrophobicContact CG-CE2 3.9Å; E125-R283 IonicContact OE1-CZ 2.7Å; E125-R283 IonicContact OE1-NH1 3.13Å; E125-R283 PolarHBondContact OE1-NH1 2.94Å; E125-R283 IonicContact OE1-NH2 2.62Å; E125-R283 PolarHBondContact OE1-NH2 3.14Å |
| 126 | V | 97.1 | Very high | 95.9 | Very high | 45 Ų | 45 | 29 Ų | 29 | 27% | 0.273 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -69.8 | -33.4 | 175.3 | -64.9 | 0 | 0 | 0 | 0 | 113.3 | Q124 A130 V289 | Q124-V126 HydrophobicContact CB-CG2 4.23Å; Q124-V126 PolarHBondContact O-N 2.79Å; Q124-V126 VanDerWaalsContact O-N 3.1Å; V126-A130 WeakPolarHBondContact O-CB 3.46Å; V126-A130 PolarHBondContact O-N 3.18Å; V126-V289 HydrophobicContact CB-CG2 4.47Å; V126-V289 HydrophobicContact CG2-CG1 4.41Å; V126-V289 HydrophobicContact CG2-CG2 4.31Å |
| 127 | E | 98 | Very high | 96.2 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.5 | -43.3 | 174.1 | -66.1 | 169.3 | 170.2 | 0 | 0 | 109.8 | L123 Q124 A130 I131 V289 L293 R296 | L123-E127 HydrophobicContact CB-CB 4.13Å; Q124-E127 HydrophobicContact CB-CB 4.34Å; Q124-E127 HydrophobicContact CB-CG 3.97Å; Q124-E127 HydrophobicContact CG-CG 4.48Å; Q124-E127 PolarHBondContact N-OE2 2.88Å; Q124-E127 PolarHBondContact NE2-OE1 3.4Å; Q124-E127 WeakPolarHBondContact O-CA 2.95Å; Q124-E127 WeakPolarHBondContact O-CB 2.94Å; Q124-E127 PolarHBondContact O-N 2.7Å; E127-A130 PolarHBondContact O-N 3.48Å; E127-I131 WeakPolarHBondContact O-CG1 3.48Å; E127-I131 PolarHBondContact O-N 2.9Å; E127-V289 HydrophobicContact CB-CG1 4.45Å; E127-V289 HydrophobicContact CG-CG1 4.02Å; E127-L293 HydrophobicContact CB-CD2 4.09Å; E127-L293 HydrophobicContact CG-CB 4.34Å; E127-L293 HydrophobicContact CG-CD2 4.14Å; E127-R296 VanDerWaalsContact CD-NH2 3.26Å; E127-R296 IonicContact OE1-CZ 2.81Å; E127-R296 IonicContact OE1-NE 3.22Å; E127-R296 IonicContact OE1-NH2 3.28Å; E127-R296 PolarHBondContact OE1-NH2 3.42Å; E127-R296 IonicContact OE2-NH2 3.09Å; E127-R296 PolarHBondContact OE2-NH2 2.84Å |
| 128 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -50.4 | 174 | -58.6 | 177.2 | 0 | 0 | 0 | 110.2 | L123 Q124 E125 A130 I131 T132 L218 A219 W250 F254 F280 | L123-I128 HydrophobicContact CB-CD1 4.5Å; L123-I128 HydrophobicContact CB-CG1 3.89Å; Q124-I128 WeakPolarHBondContact O-CG1 3.43Å; Q124-I128 PolarHBondContact O-N 3.41Å; E125-I128 PolarHBondContact O-N 2.9Å; I128-A130 PolarHBondContact O-N 3.16Å; I128-I131 PolarHBondContact O-N 3.23Å; I128-T132 VanDerWaalsContact O-CB 3.28Å; I128-T132 WeakPolarHBondContact O-CB 3.48Å; I128-T132 PolarHBondContact O-N 3.33Å; I128-T132 PolarHBondContact O-OG1 3.2Å; I128-T132 VanDerWaalsContact O-OG1 3.09Å; I128-L218 HydrophobicContact CD1-CB 3.97Å; I128-L218 HydrophobicContact CG1-CB 3.86Å; I128-L218 HydrophobicContact CG2-CB 4.35Å; I128-L218 HydrophobicContact CG2-CD1 4.15Å; I128-A219 HydrophobicContact CD1-CB 4.15Å; I128-W250 HydrophobicContact CD1-CH2 3.97Å; I128-W250 HydrophobicContact CD1-CZ3 4.02Å; I128-F254 HydrophobicContact CB-CZ 4.5Å; I128-F254 HydrophobicContact CD1-CE1 4.07Å; I128-F254 HydrophobicContact CD1-CZ 3.97Å; I128-F254 HydrophobicContact CG2-CE2 3.86Å; I128-F254 HydrophobicContact CG2-CZ 3.73Å; I128-F280 HydrophobicContact CG2-CZ 4.28Å |
| 129 | A | 98.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.033 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.3 | -34 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E125 H133 F280 R285 | E125-A129 WeakPolarHBondContact O-CB 3.49Å; E125-A129 PolarHBondContact O-N 2.94Å; A129-H133 VanDerWaalsContact O-CB 3.23Å; A129-H133 WeakPolarHBondContact O-CB 3.27Å; A129-H133 PolarHBondContact O-N 3.27Å; A129-F280 HydrophobicContact CB-CD2 4.45Å; A129-F280 HydrophobicContact CB-CE1 4.12Å; A129-F280 HydrophobicContact CB-CE2 3.8Å; A129-F280 HydrophobicContact CB-CZ 3.6Å; A129-R285 VanDerWaalsContact C-NH1 3.27Å; A129-R285 PolarHBondContact O-NH1 2.93Å |
| 130 | A | 98.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 5% | 0.05 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.8 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V126 E127 I128 G134 V289 L290 | V126-A130 WeakPolarHBondContact O-CB 3.46Å; V126-A130 PolarHBondContact O-N 3.18Å; E127-A130 PolarHBondContact O-N 3.48Å; I128-A130 PolarHBondContact O-N 3.16Å; A130-G134 PolarHBondContact O-N 3.37Å; A130-V289 HydrophobicContact CB-CG1 4.03Å; A130-L290 HydrophobicContact CB-CD1 3.99Å; A130-L290 HydrophobicContact CB-CD2 3.68Å; A130-L290 HydrophobicContact CB-CG 3.75Å |
| 131 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -48.9 | 175.4 | -66.2 | 171.3 | 0 | 0 | 0 | 110.8 | A112 L115 L123 E127 I128 H133 G134 A135 I157 L218 L290 L293 | A112-I131 HydrophobicContact CB-CD1 4.28Å; A112-I131 HydrophobicContact CB-CG2 4.44Å; L115-I131 HydrophobicContact CD1-CD1 4.38Å; L123-I131 HydrophobicContact CD1-CD1 3.53Å; E127-I131 WeakPolarHBondContact O-CG1 3.48Å; E127-I131 PolarHBondContact O-N 2.9Å; I128-I131 PolarHBondContact O-N 3.23Å; I131-H133 PolarHBondContact O-N 3.41Å; I131-G134 PolarHBondContact O-N 3.48Å; I131-A135 WeakPolarHBondContact O-CB 3.48Å; I131-A135 PolarHBondContact O-N 3.33Å; I131-I157 HydrophobicContact CG2-CG2 3.81Å; I131-L218 HydrophobicContact CB-CD1 4.42Å; I131-L218 HydrophobicContact CG2-CD1 4.07Å; I131-L290 HydrophobicContact CG1-CD2 3.86Å; I131-L293 HydrophobicContact CD1-CD2 4.22Å |
| 132 | T | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | -179 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | I128 L136 L211 C215 F257 F280 L281 | I128-T132 VanDerWaalsContact O-CB 3.28Å; I128-T132 WeakPolarHBondContact O-CB 3.48Å; I128-T132 PolarHBondContact O-N 3.33Å; I128-T132 PolarHBondContact O-OG1 3.2Å; I128-T132 VanDerWaalsContact O-OG1 3.09Å; T132-L136 WeakPolarHBondContact O-CB 3.36Å; T132-L136 PolarHBondContact O-N 3.35Å; T132-L211 HydrophobicContact CG2-CD1 4.25Å; T132-L211 HydrophobicContact CG2-CD2 4.1Å; T132-L211 HydrophobicContact CG2-CG 4.26Å; T132-C215 PolarHBondContact OG1-SG 3.14Å; T132-F257 HydrophobicContact CG2-CE1 3.49Å; T132-F257 VanDerWaalsContact CG2-CE1 3.49Å; T132-F257 HydrophobicContact CG2-CE2 4.47Å; T132-F257 HydrophobicContact CG2-CZ 3.46Å; T132-F257 VanDerWaalsContact CG2-CZ 3.46Å; T132-F280 HydrophobicContact CG2-CE1 4.39Å; T132-L281 HydrophobicContact CG2-CD2 4.01Å |
| 133 | H | 98.3 | Very high | 98.1 | Very high | 35 Ų | 35 | 18.6 Ų | 18.6 | 16% | 0.162 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.8 | -49.4 | 175 | -170.3 | 172.6 | 0 | 0 | 0 | 110.9 | A129 I131 A135 L136 Q137 L281 R285 | A129-H133 VanDerWaalsContact O-CB 3.23Å; A129-H133 WeakPolarHBondContact O-CB 3.27Å; A129-H133 PolarHBondContact O-N 3.27Å; I131-H133 PolarHBondContact O-N 3.41Å; H133-A135 PolarHBondContact O-N 2.96Å; H133-L136 PolarHBondContact O-N 2.71Å; H133-Q137 PolarHBondContact NE2-NE2 3.34Å; H133-Q137 VanDerWaalsContact NE2-NE2 3.11Å; H133-Q137 WeakPolarHBondContact O-CG 3.5Å; H133-Q137 PolarHBondContact O-N 2.87Å; H133-L281 HydrophobicContact CB-CD1 4.45Å; H133-L281 HydrophobicContact CB-CD2 4.16Å; H133-R285 PolarHBondContact ND1-NH2 2.91Å |
| 134 | G | 97.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 22 Ų | 22 | 5% | 0.052 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N87 A130 I131 G138 | N87-G134 WeakPolarHBondContact CB-O 3.39Å; N87-G134 VanDerWaalsContact CG-O 3.29Å; N87-G134 PolarHBondContact ND2-O 3.39Å; A130-G134 PolarHBondContact O-N 3.37Å; I131-G134 PolarHBondContact O-N 3.48Å; G134-G138 PolarHBondContact O-N 2.92Å |
| 135 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | I131 H133 G138 L139 I157 L167 L211 | I131-A135 WeakPolarHBondContact O-CB 3.48Å; I131-A135 PolarHBondContact O-N 3.33Å; H133-A135 PolarHBondContact O-N 2.96Å; A135-G138 WeakPolarHBondContact O-CA 3.47Å; A135-G138 PolarHBondContact O-N 3.46Å; A135-G138 VanDerWaalsContact O-N 3.15Å; A135-L139 PolarHBondContact O-N 3.46Å; A135-I157 HydrophobicContact CB-CD1 3.86Å; A135-I157 HydrophobicContact CB-CG1 4.38Å; A135-I157 HydrophobicContact CB-CG2 4.44Å; A135-L167 HydrophobicContact CB-CD2 4.09Å; A135-L211 HydrophobicContact CB-CD1 4.08Å |
| 136 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.5 | -35.7 | -179.8 | -173.6 | 62.7 | 0 | 0 | 0 | 113 | T132 H133 G138 L139 A140 I208 L211 F257 M275 L276 L281 | T132-L136 WeakPolarHBondContact O-CB 3.36Å; T132-L136 PolarHBondContact O-N 3.35Å; H133-L136 PolarHBondContact O-N 2.71Å; L136-G138 VanDerWaalsContact C-N 3.26Å; L136-G138 PolarHBondContact O-N 2.94Å; L136-L139 PolarHBondContact O-N 3.42Å; L136-L139 VanDerWaalsContact O-N 3.14Å; L136-A140 PolarHBondContact O-N 3.09Å; L136-I208 HydrophobicContact CD1-CD1 3.7Å; L136-L211 HydrophobicContact CB-CD2 4.03Å; L136-L211 HydrophobicContact CD1-CD2 3.84Å; L136-L211 HydrophobicContact CG-CD2 4.41Å; L136-F257 HydrophobicContact CD2-CE2 4.45Å; L136-F257 HydrophobicContact CD2-CZ 4.43Å; L136-M275 HydrophobicContact CD1-CB 4.32Å; L136-M275 HydrophobicContact CD2-CB 3.61Å; L136-L276 HydrophobicContact CB-CD2 4.14Å; L136-L276 HydrophobicContact CD2-CD2 3.87Å; L136-L276 HydrophobicContact CD2-CG 3.98Å; L136-L276 HydrophobicContact CG-CD2 3.83Å; L136-L276 HydrophobicContact CG-CG 4Å; L136-L281 HydrophobicContact CD2-CD1 3.52Å |
| 137 | Q | 98.6 | Very high | 98 | Very high | 70 Ų | 70 | 23.3 Ų | 23.3 | 33% | 0.327 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -58.6 | -40.7 | 169.9 | -73.4 | 170.7 | -28.5 | 0 | 0 | 111.1 | H85 N87 H133 Y141 L276 | H85-Q137 PolarHBondContact CE1-O 2.92Å; N87-Q137 PolarHBondContact OD1-OE1 2.9Å; H133-Q137 PolarHBondContact NE2-NE2 3.34Å; H133-Q137 VanDerWaalsContact NE2-NE2 3.11Å; H133-Q137 WeakPolarHBondContact O-CG 3.5Å; H133-Q137 PolarHBondContact O-N 2.87Å; Q137-Y141 PolarHBondContact O-N 3.46Å; Q137-L276 HydrophobicContact CG-CD2 3.79Å |
| 138 | G | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | G134 A135 L136 Y141 L142 | G134-G138 PolarHBondContact O-N 2.92Å; A135-G138 WeakPolarHBondContact O-CA 3.47Å; A135-G138 PolarHBondContact O-N 3.46Å; A135-G138 VanDerWaalsContact O-N 3.15Å; L136-G138 VanDerWaalsContact C-N 3.26Å; L136-G138 PolarHBondContact O-N 2.94Å; G138-Y141 PolarHBondContact O-N 3.33Å; G138-L142 WeakPolarHBondContact O-CG 3.36Å; G138-L142 PolarHBondContact O-N 3.39Å; G138-L142 VanDerWaalsContact O-N 3.13Å |
| 139 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.2 | -42.1 | 178.4 | -67.4 | 179 | 0 | 0 | 0 | 112.7 | A135 L136 Y141 L142 H143 H149 V152 L167 D207 I208 L211 | A135-L139 PolarHBondContact O-N 3.46Å; L136-L139 PolarHBondContact O-N 3.42Å; L136-L139 VanDerWaalsContact O-N 3.14Å; L139-Y141 VanDerWaalsContact C-N 3.28Å; L139-Y141 PolarHBondContact O-N 3.24Å; L139-L142 HydrophobicContact CD2-CD1 4.45Å; L139-L142 PolarHBondContact O-N 3.24Å; L139-H143 WeakPolarHBondContact O-CB 3.47Å; L139-H143 PolarHBondContact O-CD2 3.39Å; L139-H143 PolarHBondContact O-N 2.88Å; L139-H143 PolarHBondContact O-ND1 2.85Å; L139-H149 HydrophobicContact CD2-CB 4.21Å; L139-V152 HydrophobicContact CD1-CG2 4.38Å; L139-V152 HydrophobicContact CD2-CG2 3.96Å; L139-L167 HydrophobicContact CD2-CD1 3.86Å; L139-L167 HydrophobicContact CG-CD1 4.07Å; L139-D207 HydrophobicContact CD1-CB 3.95Å; L139-D207 HydrophobicContact CD2-CB 3.78Å; L139-D207 HydrophobicContact CG-CB 4.47Å; L139-I208 HydrophobicContact CD1-CD1 4.38Å; L139-L211 HydrophobicContact CD1-CB 4.39Å; L139-L211 HydrophobicContact CD1-CD2 4.29Å |
| 140 | A | 98.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 24 Ų | 24 | 7% | 0.066 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.9 | -43.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L136 L142 S144 L276 | L136-A140 PolarHBondContact O-N 3.09Å; A140-L142 PolarHBondContact O-N 2.93Å; A140-S144 WeakPolarHBondContact O-CB 3.46Å; A140-S144 PolarHBondContact O-N 3.43Å; A140-S144 PolarHBondContact O-OG 2.92Å; A140-L276 HydrophobicContact CB-CD1 3.81Å |
| 141 | Y | 98.4 | Very high | 97.7 | Very high | 39 Ų | 39 | 23.9 Ų | 23.9 | 15% | 0.153 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 173.5 | 172.9 | -94.1 | 0 | 0 | 0 | 112.8 | I83 R84 H85 Q137 G138 L139 S144 H145 | I83-Y141 HydrophobicContact CB-CE1 3.99Å; I83-Y141 HydrophobicContact CG2-CE1 4.27Å; R84-Y141 PolarHBondContact N-OH 2.97Å; H85-Y141 HydrophobicContact CB-CD1 3.52Å; H85-Y141 HydrophobicContact CB-CD2 3.92Å; H85-Y141 HydrophobicContact CB-CE1 3.84Å; H85-Y141 HydrophobicContact CB-CE2 4.2Å; H85-Y141 HydrophobicContact CB-CG 3.57Å; H85-Y141 AromaticContact CD2-CD2 3.58Å; H85-Y141 AromaticContact CD2-CG 3.59Å; H85-Y141 AromaticContact CG-CD1 3.99Å; H85-Y141 AromaticContact CG-CD2 3.93Å; H85-Y141 AromaticContact CG-CG 3.56Å; Q137-Y141 PolarHBondContact O-N 3.46Å; G138-Y141 PolarHBondContact O-N 3.33Å; L139-Y141 VanDerWaalsContact C-N 3.28Å; L139-Y141 PolarHBondContact O-N 3.24Å; Y141-S144 PolarHBondContact O-OG 3.49Å; Y141-H145 AromaticContact CD2-CE1 3.76Å; Y141-H145 AromaticContact CE2-CE1 3.36Å; Y141-H145 WeakPolarHBondContact CE2-CE1 3.38Å; Y141-H145 AromaticContact CE2-ND1 3.91Å; Y141-H145 AromaticContact CZ-CE1 3.9Å; Y141-H145 PolarHBondContact O-ND1 3.01Å |
| 142 | L | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.9 | -46.9 | 177.9 | -64.9 | 176.8 | 0 | 0 | 0 | 112.1 | F79 I83 G138 L139 A140 S144 H145 N146 M147 H149 L167 F170 | F79-L142 HydrophobicContact CE1-CD2 4.1Å; F79-L142 HydrophobicContact CZ-CD2 3.91Å; I83-L142 HydrophobicContact CG2-CD2 3.69Å; G138-L142 WeakPolarHBondContact O-CG 3.36Å; G138-L142 PolarHBondContact O-N 3.39Å; G138-L142 VanDerWaalsContact O-N 3.13Å; L139-L142 HydrophobicContact CD2-CD1 4.45Å; L139-L142 PolarHBondContact O-N 3.24Å; A140-L142 PolarHBondContact O-N 2.93Å; L142-S144 PolarHBondContact O-N 2.84Å; L142-H145 CarbonylContact O-C 3.56Å; L142-H145 PolarHBondContact O-N 3.25Å; L142-N146 PolarHBondContact O-N 3.45Å; L142-M147 CarbonylContact C-O 3.59Å; L142-M147 HydrophobicContact CB-CB 4.27Å; L142-M147 HydrophobicContact CD2-CB 4.42Å; L142-M147 WeakPolarHBondContact O-CB 3.45Å; L142-M147 PolarHBondContact O-N 3.1Å; L142-H149 HydrophobicContact CD1-CB 4.15Å; L142-L167 HydrophobicContact CD1-CD1 4.25Å; L142-F170 HydrophobicContact CD1-CE1 3.92Å |
| 143 | H | 97.9 | Very high | 97.6 | Very high | 30 Ų | 30 | 24.8 Ų | 24.8 | 14% | 0.139 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | -176.1 | -61.3 | 166.7 | 0 | 0 | 0 | 112.2 | L139 H145 N146 M147 G204 D207 S272 | L139-H143 WeakPolarHBondContact O-CB 3.47Å; L139-H143 PolarHBondContact O-CD2 3.39Å; L139-H143 PolarHBondContact O-N 2.88Å; L139-H143 PolarHBondContact O-ND1 2.85Å; H143-H145 PolarHBondContact O-N 3.03Å; H143-H145 VanDerWaalsContact O-N 3.15Å; H143-N146 WeakPolarHBondContact O-CA 3.39Å; H143-N146 PolarHBondContact O-N 3.33Å; H143-M147 PolarHBondContact CD2-O 3.13Å; H143-G204 PolarHBondContact CE1-O 3.23Å; H143-G204 PolarHBondContact NE2-O 3.31Å; H143-D207 IonicContact NE2-OD2 2.76Å; H143-S272 WeakPolarHBondContact ND1-CB 3.44Å; H143-S272 PolarHBondContact ND1-OG 3.36Å |
| 144 | S | 97.3 | Very high | 97.6 | Very high | 75 Ų | 75 | 23.1 Ų | 23.1 | 52% | 0.524 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -62.3 | -18.1 | 174.2 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | A140 Y141 L142 | A140-S144 WeakPolarHBondContact O-CB 3.46Å; A140-S144 PolarHBondContact O-N 3.43Å; A140-S144 PolarHBondContact O-OG 2.92Å; Y141-S144 PolarHBondContact O-OG 3.49Å; L142-S144 PolarHBondContact O-N 2.84Å |
| 145 | H | 96.6 | Very high | 97.4 | Very high | 95 Ų | 95 | 24.2 Ų | 24.2 | 44% | 0.44 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 13.9 | 172.4 | -65.2 | 76.2 | 0 | 0 | 0 | 113.2 | Y141 L142 H143 M147 | Y141-H145 AromaticContact CD2-CE1 3.76Å; Y141-H145 AromaticContact CE2-CE1 3.36Å; Y141-H145 WeakPolarHBondContact CE2-CE1 3.38Å; Y141-H145 AromaticContact CE2-ND1 3.91Å; Y141-H145 AromaticContact CZ-CE1 3.9Å; Y141-H145 PolarHBondContact O-ND1 3.01Å; L142-H145 CarbonylContact O-C 3.56Å; L142-H145 PolarHBondContact O-N 3.25Å; H143-H145 PolarHBondContact O-N 3.03Å; H143-H145 VanDerWaalsContact O-N 3.15Å; H145-M147 HydrophobicContact CB-CE 3.59Å; H145-M147 HydrophobicContact CB-CG 4.35Å; H145-M147 PolarHBondContact O-N 3.23Å |
| 146 | N | 95.9 | Very high | 97.3 | Very high | 100 Ų | 100 | 24.9 Ų | 24.9 | 54% | 0.535 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 27 | -173.7 | -60.2 | -75.5 | 0 | 0 | 0 | 114.3 | L142 H143 A176 S177 | L142-N146 PolarHBondContact O-N 3.45Å; H143-N146 WeakPolarHBondContact O-CA 3.39Å; H143-N146 PolarHBondContact O-N 3.33Å; N146-A176 CarbonylContact O-C 3.6Å; N146-A176 VanDerWaalsContact O-CA 3.31Å; N146-A176 WeakPolarHBondContact O-CA 3.44Å; N146-A176 PolarHBondContact O-N 2.9Å; N146-S177 PolarHBondContact O-N 3.41Å; N146-S177 VanDerWaalsContact O-N 3.12Å |
| 147 | M | 96.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.059 | 14% | 0.135 | C | C | . | . | trans | -100.3 | 150.3 | 175.5 | -60.8 | -164.6 | -104.6 | 0 | 0 | 110.9 | F79 R82 I83 L142 H143 H145 S174 | F79-M147 HydrophobicContact CD2-SD 4.28Å; F79-M147 HydrophobicContact CE2-CB 3.94Å; F79-M147 HydrophobicContact CE2-CG 4.23Å; F79-M147 HydrophobicContact CE2-SD 3.76Å; F79-M147 HydrophobicContact CZ-CB 4.04Å; F79-M147 HydrophobicContact CZ-SD 3.98Å; R82-M147 HydrophobicContact CB-CE 4.42Å; I83-M147 HydrophobicContact CG2-CE 3.89Å; I83-M147 HydrophobicContact CG2-SD 4.14Å; L142-M147 CarbonylContact C-O 3.59Å; L142-M147 HydrophobicContact CB-CB 4.27Å; L142-M147 HydrophobicContact CD2-CB 4.42Å; L142-M147 WeakPolarHBondContact O-CB 3.45Å; L142-M147 PolarHBondContact O-N 3.1Å; H143-M147 PolarHBondContact CD2-O 3.13Å; H145-M147 HydrophobicContact CB-CE 3.59Å; H145-M147 HydrophobicContact CB-CG 4.35Å; H145-M147 PolarHBondContact O-N 3.23Å; M147-S174 VanDerWaalsContact CA-O 3.27Å; M147-S174 WeakPolarHBondContact CA-O 3.29Å | ||
| 148 | I | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -132.3 | 133.5 | -178.9 | -42.8 | 171 | 0 | 0 | 0 | 108.8 | R150 A173 S174 A179 Y202 V206 D207 | I148-R150 HydrophobicContact CB-CG 3.89Å; I148-R150 HydrophobicContact CG2-CG 3.41Å; I148-R150 VanDerWaalsContact CG2-CG 3.41Å; I148-A173 CarbonylContact O-C 3.14Å; I148-A173 VanDerWaalsContact O-CA 3.23Å; I148-A173 WeakPolarHBondContact O-CA 3.39Å; I148-A173 WeakPolarHBondContact O-CB 3.47Å; I148-S174 PolarHBondContact N-O 3.43Å; I148-S174 PolarHBondContact O-N 3.46Å; I148-A179 HydrophobicContact CD1-CB 4Å; I148-Y202 HydrophobicContact CD1-CD2 4.45Å; I148-Y202 HydrophobicContact CD1-CE2 4.36Å; I148-V206 HydrophobicContact CG2-CG2 3.63Å; I148-D207 WeakPolarHBondContact CG2-OD2 3.21Å |
| 149 | H | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -79.2 | -43.2 | -178.5 | -171.3 | -24.4 | 0 | 0 | 0 | 112.6 | L139 L142 D151 V152 A168 F170 A173 D207 | L139-H149 HydrophobicContact CD2-CB 4.21Å; L142-H149 HydrophobicContact CD1-CB 4.15Å; H149-D151 PolarHBondContact O-N 3.21Å; H149-D151 VanDerWaalsContact O-N 3.17Å; H149-V152 HydrophobicContact CB-CG2 4.16Å; H149-A168 PolarHBondContact CE1-O 3.48Å; H149-A168 VanDerWaalsContact CE1-O 3.23Å; H149-A168 PolarHBondContact NE2-O 3.02Å; H149-F170 AromaticContact CD2-CE1 3.81Å; H149-F170 AromaticContact NE2-CE1 3.97Å; H149-A173 WeakPolarHBondContact O-CA 3.47Å; H149-D207 WeakPolarHBondContact CA-OD2 3.25Å; H149-D207 WeakPolarHBondContact CB-OD2 3.22Å; H149-D207 PolarHBondContact N-OD2 3.24Å | ||
| 150 | R | 95.7 | Very high | 97.1 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 10% | 0.098 | 13% | 0.131 | C | C | . | . | trans | 60.6 | 14.4 | 175.5 | -49.3 | -172.5 | -66.1 | -179.3 | -4.5 | 116.8 | I148 S172 A173 S181 V183 G184 Y202 V206 D207 | I148-R150 HydrophobicContact CB-CG 3.89Å; I148-R150 HydrophobicContact CG2-CG 3.41Å; I148-R150 VanDerWaalsContact CG2-CG 3.41Å; R150-S172 VanDerWaalsContact CZ-O 3.25Å; R150-S172 PolarHBondContact NE-O 2.95Å; R150-S172 PolarHBondContact NH2-O 3.01Å; R150-A173 PolarHBondContact NH2-O 3.23Å; R150-S181 PolarHBondContact NH1-OG 3.47Å; R150-V183 HydrophobicContact CB-CG2 3.9Å; R150-V183 HydrophobicContact CG-CG2 4.49Å; R150-V183 VanDerWaalsContact CZ-CG2 3.46Å; R150-G184 WeakPolarHBondContact O-CA 3.38Å; R150-Y202 VanDerWaalsContact CD-OH 3.26Å; R150-Y202 WeakPolarHBondContact CD-OH 3.46Å; R150-Y202 HydrophobicContact CG-CE2 4.4Å; R150-Y202 PolarHBondContact NH1-OH 2.81Å; R150-V206 HydrophobicContact CG-CG2 4.42Å; R150-D207 VanDerWaalsContact CA-OD1 3.27Å; R150-D207 WeakPolarHBondContact CA-OD1 3.3Å; R150-D207 PolarHBondContact N-OD1 3.33Å; R150-D207 PolarHBondContact N-OD2 3.16Å | ||
| 151 | D | 95.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | trans | -155.4 | 43.8 | 177.2 | -153.8 | 19.1 | 0 | 0 | 0 | 112.9 | H149 K153 N156 T185 S363 | H149-D151 PolarHBondContact O-N 3.21Å; H149-D151 VanDerWaalsContact O-N 3.17Å; D151-K153 VanDerWaalsContact CG-NZ 3.26Å; D151-K153 PolarHBondContact O-N 3.29Å; D151-K153 IonicContact OD1-NZ 3.04Å; D151-K153 PolarHBondContact OD1-NZ 3.41Å; D151-K153 IonicContact OD2-NZ 2.74Å; D151-K153 PolarHBondContact OD2-NZ 3.09Å; D151-N156 PolarHBondContact O-ND2 3.48Å; D151-T185 VanDerWaalsContact OD1-CB 3.31Å; D151-T185 WeakPolarHBondContact OD1-CB 3.39Å; D151-T185 PolarHBondContact OD1-N 2.99Å; D151-T185 PolarHBondContact OD1-OG1 2.86Å; D151-S363 PolarHBondContact OD1-OG 2.72Å; D151-S363 WeakPolarHBondContact OD2-CB 3.31Å; D151-S363 PolarHBondContact OD2-OG 3.44Å | ||
| 152 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -74.1 | 121.5 | 176.6 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | L139 H149 I157 D207 L211 T214 | L139-V152 HydrophobicContact CD1-CG2 4.38Å; L139-V152 HydrophobicContact CD2-CG2 3.96Å; H149-V152 HydrophobicContact CB-CG2 4.16Å; V152-I157 HydrophobicContact CG1-CD1 4.29Å; V152-D207 HydrophobicContact CG2-CB 4.01Å; V152-L211 HydrophobicContact CG1-CD1 4.45Å; V152-T214 PolarHBondContact O-OG1 3.37Å | ||
| 153 | K | 97.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 9% | 0.087 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -158.4 | 160.5 | 179.3 | 62.8 | -149.6 | -174.1 | -158 | 0 | 108.9 | D151 G155 N156 I157 T185 W188 T214 | D151-K153 VanDerWaalsContact CG-NZ 3.26Å; D151-K153 PolarHBondContact O-N 3.29Å; D151-K153 IonicContact OD1-NZ 3.04Å; D151-K153 PolarHBondContact OD1-NZ 3.41Å; D151-K153 IonicContact OD2-NZ 2.74Å; D151-K153 PolarHBondContact OD2-NZ 3.09Å; K153-G155 PolarHBondContact O-N 2.9Å; K153-N156 WeakPolarHBondContact CE-ND2 3.2Å; K153-N156 WeakPolarHBondContact CE-OD1 3.48Å; K153-N156 HydrophobicContact CG-CB 4.1Å; K153-N156 PolarHBondContact O-N 2.92Å; K153-I157 PolarHBondContact O-N 3.48Å; K153-T185 WeakPolarHBondContact CD-OG1 3.28Å; K153-T185 PolarHBondContact NZ-OG1 3.35Å; K153-W188 HydrophobicContact CB-CD2 3.91Å; K153-W188 HydrophobicContact CB-CG 4.07Å; K153-W188 HydrophobicContact CB-CZ2 3.97Å; K153-T214 WeakPolarHBondContact CA-OG1 3.34Å |
| 154 | A | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A112 S113 T214 E217 L218 | A112-A154 HydrophobicContact CB-CB 4.11Å; A112-A154 PolarHBondContact N-O 3.44Å; A112-A154 VanDerWaalsContact N-O 3.14Å; S113-A154 PolarHBondContact N-O 3.31Å; A154-T214 HydrophobicContact CB-CG2 4.13Å; A154-E217 HydrophobicContact CB-CG 4.15Å; A154-E217 WeakPolarHBondContact CB-OE1 3.29Å; A154-E217 VanDerWaalsContact CB-OE2 3.3Å; A154-E217 WeakPolarHBondContact CB-OE2 3.33Å; A154-E217 PolarHBondContact N-OE2 3.3Å; A154-L218 HydrophobicContact CB-CD2 3.83Å |
| 155 | G | 94.4 | Very high | 96.3 | Very high | 27 Ų | 27 | 28.1 Ų | 28.1 | 28% | 0.278 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -24.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S111 K153 | S111-G155 WeakPolarHBondContact CB-O 3.3Å; K153-G155 PolarHBondContact O-N 2.9Å |
| 156 | N | 96.8 | Very high | 96.4 | Very high | 15 Ų | 15 | 24.1 Ų | 24.1 | 8% | 0.08 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -0.1 | -178.2 | -72.7 | 9.3 | 0 | 0 | 0 | 112.9 | D151 K153 A168 | D151-N156 PolarHBondContact O-ND2 3.48Å; K153-N156 WeakPolarHBondContact CE-ND2 3.2Å; K153-N156 WeakPolarHBondContact CE-OD1 3.48Å; K153-N156 HydrophobicContact CG-CB 4.1Å; K153-N156 PolarHBondContact O-N 2.92Å; N156-A168 PolarHBondContact O-N 2.96Å |
| 157 | I | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 114 | 169.8 | -56.2 | 173.2 | 0 | 0 | 0 | 107.7 | S111 A112 I131 A135 V152 K153 V165 K166 L167 T214 | S111-I157 CarbonylContact C-O 3.59Å; S111-I157 WeakPolarHBondContact CA-O 3.41Å; A112-I157 PolarHBondContact N-O 2.71Å; I131-I157 HydrophobicContact CG2-CG2 3.81Å; A135-I157 HydrophobicContact CB-CD1 3.86Å; A135-I157 HydrophobicContact CB-CG1 4.38Å; A135-I157 HydrophobicContact CB-CG2 4.44Å; V152-I157 HydrophobicContact CG1-CD1 4.29Å; K153-I157 PolarHBondContact O-N 3.48Å; I157-V165 HydrophobicContact CG2-CG1 3.48Å; I157-V165 VanDerWaalsContact CG2-CG1 3.48Å; I157-K166 WeakPolarHBondContact CA-O 3.44Å; I157-L167 HydrophobicContact CG1-CD2 4.25Å; I157-T214 HydrophobicContact CD1-CG2 3.79Å |
| 158 | L | 97.9 | Very high | 96.4 | Very high | 36 Ų | 36 | 19.3 Ų | 19.3 | 19% | 0.188 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 154.3 | -176.4 | -49.4 | -175.4 | 0 | 0 | 0 | 111.6 | I89 C108 G110 V165 K166 A168 | I89-L158 HydrophobicContact CD1-CD1 4.22Å; C108-L158 HydrophobicContact CB-CB 3.73Å; C108-L158 HydrophobicContact CB-CD1 4.04Å; C108-L158 HydrophobicContact CB-CG 4.5Å; G110-L158 WeakPolarHBondContact O-CA 3.31Å; L158-V165 CarbonylContact O-C 3.55Å; L158-V165 WeakPolarHBondContact O-CA 3.48Å; L158-K166 HydrophobicContact CB-CB 4.36Å; L158-K166 PolarHBondContact N-O 3.45Å; L158-K166 PolarHBondContact O-N 2.86Å; L158-A168 HydrophobicContact CD1-CB 3.64Å; L158-A168 HydrophobicContact CG-CB 3.88Å |
| 159 | L | 97.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129 | 171.7 | -71.2 | 79.7 | 0 | 0 | 0 | 109.8 | C108 L109 G110 A112 L115 L290 L293 I294 | C108-L159 CarbonylContact C-O 3.58Å; C108-L159 WeakPolarHBondContact CB-O 3.38Å; L109-L159 WeakPolarHBondContact CB-O 3.28Å; L109-L159 PolarHBondContact N-O 2.73Å; G110-L159 PolarHBondContact O-N 2.76Å; A112-L159 HydrophobicContact CB-CD1 4.31Å; L115-L159 HydrophobicContact CD1-CD1 4.02Å; L115-L159 HydrophobicContact CD1-CD2 4.1Å; L159-L290 HydrophobicContact CD2-CD2 4.25Å; L159-L293 HydrophobicContact CD2-CD2 4.42Å; L159-I294 HydrophobicContact CB-CD1 4.41Å; L159-I294 HydrophobicContact CD2-CD1 4.35Å; L159-I294 HydrophobicContact CD2-CG1 4.34Å |
| 160 | T | 95.6 | Very high | 95.9 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 6% | 0.061 | 12% | 0.124 | C | C | . | . | trans | -75.2 | 161.5 | 167.2 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | P162 G163 Q164 K166 I294 | T160-P162 VanDerWaalsContact C-N 3.35Å; T160-G163 PolarHBondContact O-N 2.76Å; T160-Q164 PolarHBondContact N-O 2.75Å; T160-Q164 WeakPolarHBondContact OG1-CA 3.32Å; T160-Q164 WeakPolarHBondContact OG1-CB 3.45Å; T160-Q164 PolarHBondContact OG1-N 2.87Å; T160-Q164 PolarHBondContact OG1-O 3.26Å; T160-K166 HydrophobicContact CG2-CG 3.99Å; T160-I294 WeakPolarHBondContact O-CD1 3.36Å | ||
| 161 | E | 91.2 | Very high | 95.4 | Very high | 53 Ų | 53 | 21 Ų | 21 | 25% | 0.248 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -37.4 | 176.4 | 178.5 | 168 | -107.6 | 0 | 0 | 113.7 | G163 K298 Q318 | E161-G163 PolarHBondContact O-N 2.91Å; E161-G163 VanDerWaalsContact O-N 3.14Å; E161-K298 IonicContact OE1-NZ 2.87Å; E161-K298 PolarHBondContact OE1-NZ 3.39Å; E161-Q318 PolarHBondContact OE2-NE2 2.88Å |
| 162 | P | 93.3 | Very high | 95.1 | Very high | 99 Ų | 99 | 21.1 Ų | 21.1 | 64% | 0.643 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 18.8 | 171.4 | -18.3 | 34.6 | 0 | 0 | 0 | 115.6 | T160 Q164 | T160-P162 VanDerWaalsContact C-N 3.35Å; P162-Q164 VanDerWaalsContact C-N 3.28Å; P162-Q164 PolarHBondContact O-N 3.12Å |
| 163 | G | 94.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 22 Ų | 22 | 9% | 0.093 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 76.7 | 1.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116 | T160 E161 V165 L290 | T160-G163 PolarHBondContact O-N 2.76Å; E161-G163 PolarHBondContact O-N 2.91Å; E161-G163 VanDerWaalsContact O-N 3.14Å; G163-V165 PolarHBondContact O-N 3.18Å; G163-L290 WeakPolarHBondContact O-CD1 3.34Å |
| 164 | Q | 97.5 | Very high | 94.6 | Very high | 80 Ų | 80 | 21.9 Ų | 21.9 | 37% | 0.374 | 13% | 0.134 | S | C | . | . | trans | -74.7 | 127.9 | 176.7 | -173.8 | 174 | 71.2 | 0 | 0 | 111.1 | P86 T160 P162 | P86-Q164 PolarHBondContact O-OE1 3.37Å; T160-Q164 PolarHBondContact N-O 2.75Å; T160-Q164 WeakPolarHBondContact OG1-CA 3.32Å; T160-Q164 WeakPolarHBondContact OG1-CB 3.45Å; T160-Q164 PolarHBondContact OG1-N 2.87Å; T160-Q164 PolarHBondContact OG1-O 3.26Å; P162-Q164 VanDerWaalsContact C-N 3.28Å; P162-Q164 PolarHBondContact O-N 3.12Å | ||
| 165 | V | 98.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135 | 179 | -176 | 0 | 0 | 0 | 0 | 110.8 | N87 I157 L158 G163 L290 | N87-V165 WeakPolarHBondContact CA-O 3.26Å; N87-V165 PolarHBondContact ND2-O 3.3Å; I157-V165 HydrophobicContact CG2-CG1 3.48Å; I157-V165 VanDerWaalsContact CG2-CG1 3.48Å; L158-V165 CarbonylContact O-C 3.55Å; L158-V165 WeakPolarHBondContact O-CA 3.48Å; G163-V165 PolarHBondContact O-N 3.18Å; V165-L290 HydrophobicContact CG2-CD1 3.59Å |
| 166 | K | 98.3 | Very high | 94 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.9 | -176.8 | -55.6 | -71.6 | -178.8 | 158.1 | 0 | 111.8 | P86 I89 E106 I157 L158 T160 | P86-K166 VanDerWaalsContact O-CD 3.27Å; P86-K166 WeakPolarHBondContact O-CD 3.19Å; P86-K166 VanDerWaalsContact O-CE 3.29Å; P86-K166 WeakPolarHBondContact O-CE 3.17Å; P86-K166 PolarHBondContact O-NZ 2.86Å; I89-K166 HydrophobicContact CD1-CB 4.06Å; I89-K166 HydrophobicContact CD1-CG 4.17Å; E106-K166 VanDerWaalsContact CD-CE 3.46Å; E106-K166 VanDerWaalsContact CD-NZ 3.27Å; E106-K166 WeakPolarHBondContact OE1-CD 3.38Å; E106-K166 WeakPolarHBondContact OE1-CE 3.48Å; E106-K166 IonicContact OE1-NZ 2.65Å; E106-K166 PolarHBondContact OE1-NZ 3.08Å; E106-K166 WeakPolarHBondContact OE2-CE 3.34Å; E106-K166 IonicContact OE2-NZ 2.71Å; E106-K166 PolarHBondContact OE2-NZ 3.26Å; I157-K166 WeakPolarHBondContact CA-O 3.44Å; L158-K166 HydrophobicContact CB-CB 4.36Å; L158-K166 PolarHBondContact N-O 3.45Å; L158-K166 PolarHBondContact O-N 2.86Å; T160-K166 HydrophobicContact CG2-CG 3.99Å |
| 167 | L | 98.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 137.5 | 161.5 | -63.3 | 176.9 | 0 | 0 | 0 | 110.1 | N87 I89 A135 L139 L142 I157 F170 | N87-L167 PolarHBondContact O-N 3.03Å; I89-L167 PolarHBondContact N-O 3.01Å; A135-L167 HydrophobicContact CB-CD2 4.09Å; L139-L167 HydrophobicContact CD2-CD1 3.86Å; L139-L167 HydrophobicContact CG-CD1 4.07Å; L142-L167 HydrophobicContact CD1-CD1 4.25Å; I157-L167 HydrophobicContact CG1-CD2 4.25Å; L167-F170 HydrophobicContact CB-CE1 4.46Å; L167-F170 HydrophobicContact CB-CZ 3.9Å; L167-F170 WeakPolarHBondContact O-CE2 3.5Å |
| 168 | A | 94.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 32 Ų | 32 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | trans | -145.1 | 173.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I89 H149 N156 L158 | I89-A168 HydrophobicContact CB-CB 4.28Å; I89-A168 HydrophobicContact CG2-CB 4.41Å; H149-A168 PolarHBondContact CE1-O 3.48Å; H149-A168 VanDerWaalsContact CE1-O 3.23Å; H149-A168 PolarHBondContact NE2-O 3.02Å; N156-A168 PolarHBondContact O-N 2.96Å; L158-A168 HydrophobicContact CD1-CB 3.64Å; L158-A168 HydrophobicContact CG-CB 3.88Å | ||
| 169 | D | 90.2 | Very high | 92.7 | Very high | 49 Ų | 49 | 30.6 Ų | 30.6 | 26% | 0.262 | 19% | 0.188 | S | C | . | . | trans | 61.5 | 63.4 | -178.3 | -163.2 | 40.3 | 0 | 0 | 0 | 114.4 | K57 G171 | K57-D169 IonicContact NZ-OD1 2.8Å; K57-D169 PolarHBondContact NZ-OD1 3.34Å; D169-G171 PolarHBondContact O-N 2.95Å; D169-G171 VanDerWaalsContact O-N 3.14Å | ||
| 170 | F | 92.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -77.6 | 13.6 | -179.5 | -62.4 | -76 | 0 | 0 | 0 | 114.6 | F79 L80 I83 I89 L142 H149 L167 S172 A173 | F79-F170 HydrophobicContact CD1-CB 3.64Å; F79-F170 AromaticContact CD1-CD1 3.84Å; F79-F170 HydrophobicContact CD1-CD1 3.84Å; F79-F170 HydrophobicContact CD1-CD2 4.42Å; F79-F170 AromaticContact CD1-CG 3.7Å; F79-F170 HydrophobicContact CD1-CG 3.7Å; F79-F170 HydrophobicContact CE1-CB 4Å; F79-F170 AromaticContact CE1-CD1 3.27Å; F79-F170 HydrophobicContact CE1-CD1 3.27Å; F79-F170 HydrophobicContact CE1-CD2 4.45Å; F79-F170 AromaticContact CE1-CE1 3.82Å; F79-F170 HydrophobicContact CE1-CE1 3.82Å; F79-F170 AromaticContact CE1-CG 3.64Å; F79-F170 HydrophobicContact CE1-CG 3.64Å; F79-F170 HydrophobicContact CG-CB 4.27Å; F79-F170 AromaticContact CZ-CD1 3.98Å; F79-F170 HydrophobicContact CZ-CD1 3.98Å; F79-F170 HydrophobicContact CZ-CE1 4.5Å; L80-F170 HydrophobicContact CD2-CD2 3.61Å; L80-F170 HydrophobicContact CD2-CE2 4.07Å; L80-F170 HydrophobicContact CG-CD2 4.3Å; I83-F170 HydrophobicContact CD1-CD2 4.03Å; I83-F170 HydrophobicContact CD1-CE1 4.34Å; I83-F170 HydrophobicContact CD1-CE2 3.6Å; I83-F170 HydrophobicContact CD1-CZ 3.78Å; I89-F170 HydrophobicContact CG2-CE2 4.07Å; L142-F170 HydrophobicContact CD1-CE1 3.92Å; H149-F170 AromaticContact CD2-CE1 3.81Å; H149-F170 AromaticContact NE2-CE1 3.97Å; L167-F170 HydrophobicContact CB-CE1 4.46Å; L167-F170 HydrophobicContact CB-CZ 3.9Å; L167-F170 WeakPolarHBondContact O-CE2 3.5Å; F170-S172 PolarHBondContact O-N 3.5Å; F170-A173 HydrophobicContact CB-CB 4.04Å; F170-A173 HydrophobicContact CD1-CB 4.23Å; F170-A173 WeakPolarHBondContact O-CB 3.39Å; F170-A173 PolarHBondContact O-N 3.31Å |
| 171 | G | 86.6 | Confident | 91.4 | Very high | 9 Ų | 9 | 37 Ų | 37 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -61.2 | -23.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D169 | D169-G171 PolarHBondContact O-N 2.95Å; D169-G171 VanDerWaalsContact O-N 3.14Å |
| 172 | S | 88.8 | Confident | 91 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -92.8 | -4.8 | 173.9 | -62.5 | 0 | 0 | 0 | 0 | 114.1 | R150 F170 | R150-S172 VanDerWaalsContact CZ-O 3.25Å; R150-S172 PolarHBondContact NE-O 2.95Å; R150-S172 PolarHBondContact NH2-O 3.01Å; F170-S172 PolarHBondContact O-N 3.5Å |
| 173 | A | 92.1 | Very high | 90.6 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | trans | -70.3 | 168.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F79 I148 H149 R150 F170 | F79-A173 HydrophobicContact CD1-CB 4.34Å; F79-A173 HydrophobicContact CD2-CB 3.64Å; F79-A173 HydrophobicContact CE1-CB 4.15Å; F79-A173 HydrophobicContact CE2-CB 3.44Å; F79-A173 VanDerWaalsContact CE2-CB 3.44Å; F79-A173 HydrophobicContact CG-CB 4.11Å; F79-A173 HydrophobicContact CZ-CB 3.7Å; I148-A173 CarbonylContact O-C 3.14Å; I148-A173 VanDerWaalsContact O-CA 3.23Å; I148-A173 WeakPolarHBondContact O-CA 3.39Å; I148-A173 WeakPolarHBondContact O-CB 3.47Å; H149-A173 WeakPolarHBondContact O-CA 3.47Å; R150-A173 PolarHBondContact NH2-O 3.23Å; F170-A173 HydrophobicContact CB-CB 4.04Å; F170-A173 HydrophobicContact CD1-CB 4.23Å; F170-A173 WeakPolarHBondContact O-CB 3.39Å; F170-A173 PolarHBondContact O-N 3.31Å | ||
| 174 | S | 92.4 | Very high | 90.2 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -126.9 | 130.1 | 175.8 | -169.7 | 0 | 0 | 0 | 0 | 110.3 | M147 I148 A176 | M147-S174 VanDerWaalsContact CA-O 3.27Å; M147-S174 WeakPolarHBondContact CA-O 3.29Å; I148-S174 PolarHBondContact N-O 3.43Å; I148-S174 PolarHBondContact O-N 3.46Å; S174-A176 WeakPolarHBondContact CB-O 3.44Å; S174-A176 PolarHBondContact O-N 3.32Å; S174-A176 PolarHBondContact OG-N 2.9Å; S174-A176 PolarHBondContact OG-O 2.96Å |
| 175 | I | 90.6 | Very high | 89.7 | Confident | 93 Ų | 93 | 28.6 Ų | 28.6 | 48% | 0.477 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -82.5 | 11.7 | 171 | 61.2 | 169.4 | 0 | 0 | 0 | 113.1 | F79 | F79-I175 HydrophobicContact CD2-CG2 3.65Å; F79-I175 HydrophobicContact CE2-CG2 4.35Å |
| 176 | A | 87.8 | Confident | 89.2 | Confident | 50 Ų | 50 | 29.8 Ų | 29.8 | 41% | 0.413 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -149.6 | 147.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N146 S174 | N146-A176 CarbonylContact O-C 3.6Å; N146-A176 VanDerWaalsContact O-CA 3.31Å; N146-A176 WeakPolarHBondContact O-CA 3.44Å; N146-A176 PolarHBondContact O-N 2.9Å; S174-A176 WeakPolarHBondContact CB-O 3.44Å; S174-A176 PolarHBondContact O-N 3.32Å; S174-A176 PolarHBondContact OG-N 2.9Å; S174-A176 PolarHBondContact OG-O 2.96Å |
| 177 | S | 88.9 | Confident | 89 | Confident | 35 Ų | 35 | 31 Ų | 31 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -135.9 | 135.4 | 173.6 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | N146 | N146-S177 PolarHBondContact O-N 3.41Å; N146-S177 VanDerWaalsContact O-N 3.12Å |
| 178 | P | 89.6 | Confident | 89 | Confident | 77 Ų | 77 | 31.6 Ų | 31.6 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | S | Bend | cis | -67.6 | 159.1 | -3.8 | -19.3 | 33.3 | 0 | 0 | 0 | 113.8 | Q201 Y202 | P178-Q201 HydrophobicContact CB-CB 3.88Å; P178-Q201 HydrophobicContact CB-CG 4.36Å; P178-Y202 CarbonylContact C-O 3.52Å; P178-Y202 VanDerWaalsContact CA-O 3.25Å; P178-Y202 WeakPolarHBondContact CA-O 3.47Å; P178-Y202 WeakPolarHBondContact CB-O 3.22Å |
| 179 | A | 87.9 | Confident | 89 | Confident | 8 Ų | 8 | 31.5 Ų | 31.5 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -121.9 | 162 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I148 Q201 Y202 | I148-A179 HydrophobicContact CD1-CB 4Å; A179-Q201 CarbonylContact O-C 3.6Å; A179-Q201 WeakPolarHBondContact O-CA 3.26Å; A179-Y202 HydrophobicContact CB-CD2 4.38Å; A179-Y202 HydrophobicContact CB-CE2 3.72Å; A179-Y202 PolarHBondContact N-O 3.13Å; A179-Y202 WeakPolarHBondContact O-CD1 3.44Å; A179-Y202 PolarHBondContact O-N 3.38Å |
| 180 | N | 84.1 | Confident | 89.2 | Confident | 104 Ų | 104 | 29.2 Ų | 29.2 | 56% | 0.556 | 18% | 0.179 | S | C | * | . | trans | -134.7 | 3 | -174.8 | 66 | -8.8 | 0 | 0 | 0 | 114 | G200 | N180-G200 VanDerWaalsContact CB-O 3.3Å; N180-G200 WeakPolarHBondContact CB-O 3.34Å | ||
| 181 | S | 81.6 | Confident | 89.1 | Confident | 42 Ų | 42 | 29.2 Ų | 29.2 | 29% | 0.294 | 18% | 0.179 | S | C | . | . | trans | -87.5 | 126.1 | -173.4 | 14.2 | 0 | 0 | 0 | 0 | 111.1 | R150 V183 Y202 | R150-S181 PolarHBondContact NH1-OG 3.47Å; S181-V183 PolarHBondContact O-N 3.44Å; S181-Y202 PolarHBondContact O-OH 3.25Å | ||
| 182 | F | 83.6 | Confident | 89.3 | Confident | 46 Ų | 46 | 29.8 Ų | 29.8 | 20% | 0.202 | 18% | 0.179 | C | C | . | . | trans | -70.4 | 99.8 | 175.9 | -177.3 | -94.3 | 0 | 0 | 0 | 111.1 | M189 M197 L234 | F182-M189 HydrophobicContact CD2-CE 3.74Å; F182-M189 HydrophobicContact CE1-CE 4.34Å; F182-M189 HydrophobicContact CE2-CE 3.37Å; F182-M189 HydrophobicContact CE2-SD 4.41Å; F182-M189 HydrophobicContact CG-CE 4.38Å; F182-M189 HydrophobicContact CZ-CE 3.71Å; F182-M189 HydrophobicContact CZ-SD 4.22Å; F182-M197 HydrophobicContact CB-CG 4.25Å; F182-M197 HydrophobicContact CD2-CG 3.28Å; F182-M197 HydrophobicContact CD2-SD 3.69Å; F182-M197 HydrophobicContact CE2-CG 3.75Å; F182-M197 HydrophobicContact CE2-SD 3.51Å; F182-M197 VanDerWaalsContact CE2-SD 3.51Å; F182-M197 HydrophobicContact CG-CG 3.88Å; F182-M197 HydrophobicContact CG-SD 4.35Å; F182-M197 HydrophobicContact CZ-SD 4.05Å; F182-L234 HydrophobicContact CE2-CD2 4.33Å; F182-L234 HydrophobicContact CZ-CD1 3.87Å; F182-L234 HydrophobicContact CZ-CD2 4.02Å | ||
| 183 | V | 85.3 | Confident | 89.3 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | trans | -144.9 | 168.3 | -178.5 | -53 | 0 | 0 | 0 | 0 | 111 | R150 S181 M189 | R150-V183 HydrophobicContact CB-CG2 3.9Å; R150-V183 HydrophobicContact CG-CG2 4.49Å; R150-V183 VanDerWaalsContact CZ-CG2 3.46Å; S181-V183 PolarHBondContact O-N 3.44Å; V183-M189 VanDerWaalsContact O-CE 3.27Å; V183-M189 WeakPolarHBondContact O-CE 3.2Å | ||
| 184 | G | 85.9 | Confident | 88.9 | Confident | 10 Ų | 10 | 30 Ų | 30 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 108.3 | 172.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R150 | R150-G184 WeakPolarHBondContact O-CA 3.38Š|
| 185 | T | 87 | Confident | 88.1 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | trans | -86.1 | 119.9 | 178.9 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | D151 K153 Y187 W188 M189 A361 S363 | D151-T185 VanDerWaalsContact OD1-CB 3.31Å; D151-T185 WeakPolarHBondContact OD1-CB 3.39Å; D151-T185 PolarHBondContact OD1-N 2.99Å; D151-T185 PolarHBondContact OD1-OG1 2.86Å; K153-T185 WeakPolarHBondContact CD-OG1 3.28Å; K153-T185 PolarHBondContact NZ-OG1 3.35Å; T185-Y187 PolarHBondContact O-N 3.35Å; T185-W188 HydrophobicContact CG2-CE3 3.46Å; T185-W188 VanDerWaalsContact CG2-CE3 3.46Å; T185-W188 HydrophobicContact CG2-CH2 4.5Å; T185-W188 HydrophobicContact CG2-CZ3 3.35Å; T185-W188 PolarHBondContact O-N 3.12Å; T185-M189 WeakPolarHBondContact O-CG 3.42Å; T185-M189 PolarHBondContact O-N 3.49Å; T185-A361 HydrophobicContact CG2-CB 3.54Å; T185-S363 PolarHBondContact OG1-OG 3.21Å; T185-S363 VanDerWaalsContact OG1-OG 3.13Å | ||
| 186 | P | 87.9 | Confident | 87 | Confident | 29 Ų | 29 | 30.4 Ų | 30.4 | 19% | 0.188 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -43.2 | -45.6 | -166.1 | -37.1 | 37.4 | 0 | 0 | 0 | 118.3 | W188 M189 A230 L234 I237 | P186-W188 VanDerWaalsContact C-N 3.28Å; P186-W188 PolarHBondContact O-N 3.1Å; P186-M189 PolarHBondContact O-N 2.82Å; P186-A230 HydrophobicContact CB-CB 4.1Å; P186-A230 HydrophobicContact CG-CB 3.98Å; P186-L234 HydrophobicContact CB-CD1 4.49Å; P186-L234 HydrophobicContact CB-CD2 4.13Å; P186-L234 HydrophobicContact CB-CG 4.11Å; P186-I237 VanDerWaalsContact O-CD1 3.24Å; P186-I237 WeakPolarHBondContact O-CD1 3.39Å |
| 187 | Y | 92.9 | Very high | 85.5 | Confident | 35 Ų | 35 | 31.6 Ų | 31.6 | 14% | 0.137 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -72.2 | -19.2 | -175.4 | -45.6 | -85.5 | 0 | 0 | 0 | 114 | T185 P223 L225 M228 A233 | T185-Y187 PolarHBondContact O-N 3.35Å; Y187-P223 HydrophobicContact CG-CG 4.35Å; Y187-L225 HydrophobicContact CD1-CB 4.47Å; Y187-L225 WeakPolarHBondContact CE1-O 3.36Å; Y187-M228 PolarHBondContact OH-O 3.33Å; Y187-A233 HydrophobicContact CD1-CB 3.57Å; Y187-A233 HydrophobicContact CE1-CB 3.56Å |
| 188 | W | 97.7 | Very high | 83.5 | Confident | 14 Ų | 14 | 33.4 Ų | 33.4 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -100.9 | -10 | 178.1 | -63.7 | -107.6 | 0 | 0 | 0 | 112.8 | K153 T185 P186 W209 S210 I213 E217 P223 | K153-W188 HydrophobicContact CB-CD2 3.91Å; K153-W188 HydrophobicContact CB-CG 4.07Å; K153-W188 HydrophobicContact CB-CZ2 3.97Å; T185-W188 HydrophobicContact CG2-CE3 3.46Å; T185-W188 VanDerWaalsContact CG2-CE3 3.46Å; T185-W188 HydrophobicContact CG2-CH2 4.5Å; T185-W188 HydrophobicContact CG2-CZ3 3.35Å; T185-W188 PolarHBondContact O-N 3.12Å; P186-W188 VanDerWaalsContact C-N 3.28Å; P186-W188 PolarHBondContact O-N 3.1Å; W188-W209 VanDerWaalsContact O-CD1 3.29Å; W188-S210 PolarHBondContact O-OG 3.06Å; W188-S210 VanDerWaalsContact O-OG 3.13Å; W188-I213 HydrophobicContact CB-CB 4.49Å; W188-I213 HydrophobicContact CB-CG2 4.3Å; W188-I213 HydrophobicContact CD2-CG2 4.46Å; W188-I213 HydrophobicContact CG-CB 4.35Å; W188-I213 HydrophobicContact CG-CG2 3.82Å; W188-E217 HydrophobicContact CZ2-CG 4.46Å; W188-E217 WeakPolarHBondContact CZ2-OE2 3.43Å; W188-E217 PolarHBondContact NE1-OE2 2.96Å; W188-P223 HydrophobicContact CD2-CB 4.34Å; W188-P223 HydrophobicContact CD2-CG 4.43Å; W188-P223 HydrophobicContact CE3-CG 4.42Å; W188-P223 HydrophobicContact CH2-CB 4.5Å; W188-P223 HydrophobicContact CH2-CG 3.65Å; W188-P223 HydrophobicContact CZ2-CB 4.07Å; W188-P223 HydrophobicContact CZ2-CG 3.62Å; W188-P223 HydrophobicContact CZ3-CG 4.06Å |
| 189 | M | 94.8 | Very high | 81.7 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.039 | 20% | 0.201 | C | C | . | . | trans | -64.2 | 139.8 | -175.8 | -69.1 | 177.5 | 66.6 | 0 | 0 | 112.1 | F182 V183 T185 P186 V193 I194 W209 L234 I237 | F182-M189 HydrophobicContact CD2-CE 3.74Å; F182-M189 HydrophobicContact CE1-CE 4.34Å; F182-M189 HydrophobicContact CE2-CE 3.37Å; F182-M189 HydrophobicContact CE2-SD 4.41Å; F182-M189 HydrophobicContact CG-CE 4.38Å; F182-M189 HydrophobicContact CZ-CE 3.71Å; F182-M189 HydrophobicContact CZ-SD 4.22Å; V183-M189 VanDerWaalsContact O-CE 3.27Å; V183-M189 WeakPolarHBondContact O-CE 3.2Å; T185-M189 WeakPolarHBondContact O-CG 3.42Å; T185-M189 PolarHBondContact O-N 3.49Å; P186-M189 PolarHBondContact O-N 2.82Å; M189-V193 HydrophobicContact CE-CB 4.17Å; M189-V193 HydrophobicContact CE-CG1 3.52Å; M189-I194 HydrophobicContact CB-CD1 4.39Å; M189-I194 HydrophobicContact CB-CG1 4.29Å; M189-I194 HydrophobicContact CE-CG1 4.43Å; M189-W209 PolarHBondContact O-NE1 2.94Å; M189-W209 VanDerWaalsContact O-NE1 3.08Å; M189-L234 HydrophobicContact CE-CD2 4.38Å; M189-L234 HydrophobicContact SD-CD2 3.8Å; M189-I237 WeakPolarHBondContact O-CG2 3.3Å | ||
| 190 | A | 95.1 | Very high | 80.6 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | trans | -75.1 | 147.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E192 V193 I194 V206 W209 | A190-E192 WeakPolarHBondContact CB-OE1 3.19Å; A190-E192 WeakPolarHBondContact CB-OE2 3.45Å; A190-E192 PolarHBondContact O-N 3.05Å; A190-E192 VanDerWaalsContact O-N 3.16Å; A190-V193 HydrophobicContact CB-CG2 4.23Å; A190-V193 WeakPolarHBondContact O-CB 3.49Å; A190-V193 PolarHBondContact O-N 3.31Å; A190-I194 PolarHBondContact O-N 2.9Å; A190-V206 HydrophobicContact CB-CB 4Å; A190-V206 HydrophobicContact CB-CG1 4.16Å; A190-W209 VanDerWaalsContact CA-CD1 3.42Å; A190-W209 HydrophobicContact CB-CB 3.75Å; A190-W209 HydrophobicContact CB-CD2 4.31Å; A190-W209 HydrophobicContact CB-CG 3.67Å | ||
| 191 | P | 90.4 | Very high | 80.6 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.7 | -39.6 | -176.4 | -25.7 | 33.2 | 0 | 0 | 0 | 113.2 | V193 I194 L195 W209 I237 K264 | P191-V193 VanDerWaalsContact C-N 3.33Å; P191-V193 PolarHBondContact O-N 2.95Å; P191-I194 WeakPolarHBondContact O-CB 3.34Å; P191-I194 PolarHBondContact O-N 3.43Å; P191-I194 VanDerWaalsContact O-N 3.14Å; P191-L195 VanDerWaalsContact O-CG 3.31Å; P191-L195 WeakPolarHBondContact O-CG 3.25Å; P191-L195 PolarHBondContact O-N 2.99Å; P191-W209 HydrophobicContact CG-CD2 4.5Å; P191-W209 HydrophobicContact CG-CE3 4.24Å; P191-W209 HydrophobicContact CG-CH2 3.65Å; P191-W209 HydrophobicContact CG-CZ2 3.92Å; P191-W209 HydrophobicContact CG-CZ3 3.82Å; P191-I237 HydrophobicContact CB-CG2 4.49Å; P191-I237 HydrophobicContact CG-CG2 3.97Å; P191-K264 HydrophobicContact CG-CG 4.19Å |
| 192 | E | 90.9 | Very high | 81.1 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -28.6 | 178.8 | 66.6 | -82.4 | -167 | 0 | 0 | 113.6 | A190 I194 A196 V206 P266 R269 | A190-E192 WeakPolarHBondContact CB-OE1 3.19Å; A190-E192 WeakPolarHBondContact CB-OE2 3.45Å; A190-E192 PolarHBondContact O-N 3.05Å; A190-E192 VanDerWaalsContact O-N 3.16Å; E192-I194 VanDerWaalsContact C-N 3.28Å; E192-I194 PolarHBondContact O-N 2.67Å; E192-A196 WeakPolarHBondContact O-CB 3.5Å; E192-A196 PolarHBondContact O-N 2.85Å; E192-V206 HydrophobicContact CG-CG1 4.07Å; E192-V206 WeakPolarHBondContact OE1-CG1 3.25Å; E192-P266 HydrophobicContact CB-CG 3.88Å; E192-P266 HydrophobicContact CG-CG 3.76Å; E192-R269 IonicContact OE1-CZ 2.82Å; E192-R269 IonicContact OE1-NH1 2.78Å; E192-R269 PolarHBondContact OE1-NH1 3.39Å; E192-R269 IonicContact OE1-NH2 3.44Å; E192-R269 PolarHBondContact OE1-NH2 3.41Å; E192-R269 IonicContact OE2-CZ 3.58Å; E192-R269 IonicContact OE2-NH1 2.65Å; E192-R269 IonicContact OE2-NH2 2.71Å; E192-R269 PolarHBondContact OE2-NH2 3.17Å |
| 193 | V | 88.7 | Confident | 81.6 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.1 | -32.8 | 173.2 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | M189 A190 P191 Y202 V206 | M189-V193 HydrophobicContact CE-CB 4.17Å; M189-V193 HydrophobicContact CE-CG1 3.52Å; A190-V193 HydrophobicContact CB-CG2 4.23Å; A190-V193 WeakPolarHBondContact O-CB 3.49Å; A190-V193 PolarHBondContact O-N 3.31Å; P191-V193 VanDerWaalsContact C-N 3.33Å; P191-V193 PolarHBondContact O-N 2.95Å; V193-Y202 HydrophobicContact CB-CD1 4.35Å; V193-Y202 HydrophobicContact CB-CE1 4.35Å; V193-Y202 HydrophobicContact CG1-CD1 4.38Å; V193-Y202 HydrophobicContact CG1-CE1 3.89Å; V193-Y202 HydrophobicContact CG2-CD1 3.98Å; V193-Y202 HydrophobicContact CG2-CD2 4.25Å; V193-Y202 HydrophobicContact CG2-CE1 4.15Å; V193-Y202 HydrophobicContact CG2-CE2 4.41Å; V193-Y202 HydrophobicContact CG2-CG 4.04Å; V193-V206 HydrophobicContact CG2-CB 3.85Å; V193-V206 HydrophobicContact CG2-CG1 3.42Å; V193-V206 VanDerWaalsContact CG2-CG1 3.42Å |
| 194 | I | 84.2 | Confident | 82.1 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.7 | -39.8 | 178.4 | -49.1 | 174.5 | 0 | 0 | 0 | 110.5 | M189 A190 P191 E192 M197 L234 I237 A238 | M189-I194 HydrophobicContact CB-CD1 4.39Å; M189-I194 HydrophobicContact CB-CG1 4.29Å; M189-I194 HydrophobicContact CE-CG1 4.43Å; A190-I194 PolarHBondContact O-N 2.9Å; P191-I194 WeakPolarHBondContact O-CB 3.34Å; P191-I194 PolarHBondContact O-N 3.43Å; P191-I194 VanDerWaalsContact O-N 3.14Å; E192-I194 VanDerWaalsContact C-N 3.28Å; E192-I194 PolarHBondContact O-N 2.67Å; I194-M197 WeakPolarHBondContact O-CB 3.43Å; I194-M197 WeakPolarHBondContact O-CG 3.44Å; I194-L234 HydrophobicContact CD1-CB 4.3Å; I194-L234 HydrophobicContact CD1-CD2 3.63Å; I194-L234 HydrophobicContact CG1-CD2 3.79Å; I194-L234 HydrophobicContact CG2-CB 4.25Å; I194-L234 HydrophobicContact CG2-CD2 4.4Å; I194-I237 HydrophobicContact CD1-CB 3.76Å; I194-I237 HydrophobicContact CD1-CD1 4.43Å; I194-I237 HydrophobicContact CD1-CG2 3.57Å; I194-A238 HydrophobicContact CG2-CB 4.2Å |
| 195 | L | 75.5 | Confident | 82.7 | Confident | 114 Ų | 114 | 39.6 Ų | 39.6 | 60% | 0.597 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -74.5 | -24.9 | 176.5 | -65.1 | 169.2 | 0 | 0 | 0 | 112.6 | P191 M197 A238 | P191-L195 VanDerWaalsContact O-CG 3.31Å; P191-L195 WeakPolarHBondContact O-CG 3.25Å; P191-L195 PolarHBondContact O-N 2.99Å; L195-M197 PolarHBondContact O-N 3.3Å; L195-A238 HydrophobicContact CD2-CB 4.43Å |
| 196 | A | 67.4 | Low | 83.2 | Confident | 7 Ų | 7 | 39.7 Ų | 39.7 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 2.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E192 D198 Y202 | E192-A196 WeakPolarHBondContact O-CB 3.5Å; E192-A196 PolarHBondContact O-N 2.85Å; A196-D198 PolarHBondContact O-N 3.42Å; A196-Y202 HydrophobicContact CB-CD1 4.1Å |
| 197 | M | 57 | Low | 83.8 | Confident | 74 Ų | 74 | 38.3 Ų | 38.3 | 37% | 0.365 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23.2 | -176.5 | -83.2 | -176.6 | 62.5 | 0 | 0 | 115.5 | F182 I194 L195 | F182-M197 HydrophobicContact CB-CG 4.25Å; F182-M197 HydrophobicContact CD2-CG 3.28Å; F182-M197 HydrophobicContact CD2-SD 3.69Å; F182-M197 HydrophobicContact CE2-CG 3.75Å; F182-M197 HydrophobicContact CE2-SD 3.51Å; F182-M197 VanDerWaalsContact CE2-SD 3.51Å; F182-M197 HydrophobicContact CG-CG 3.88Å; F182-M197 HydrophobicContact CG-SD 4.35Å; F182-M197 HydrophobicContact CZ-SD 4.05Å; I194-M197 WeakPolarHBondContact O-CB 3.43Å; I194-M197 WeakPolarHBondContact O-CG 3.44Å; L195-M197 PolarHBondContact O-N 3.3Å |
| 198 | D | 46.3 | Very low | 84 | Confident | 74 Ų | 74 | 36.7 Ų | 36.7 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -108.3 | -57.1 | 178.4 | -58.9 | -59.3 | 0 | 0 | 0 | 112.3 | A196 R472 Q476 | A196-D198 PolarHBondContact O-N 3.42Å; D198-R472 IonicContact OD1-CZ 3.69Å; D198-R472 IonicContact OD1-NH2 3.13Å; D198-R472 PolarHBondContact OD1-NH2 2.96Å; D198-R472 IonicContact OD2-NH2 2.67Å; D198-R472 PolarHBondContact OD2-NH2 3Å; D198-Q476 PolarHBondContact O-NE2 3.43Å |
| 199 | E | 50.9 | Low | 84.1 | Confident | 182 Ų | 182 | 36.1 Ų | 36.1 | 85% | 0.85 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -136.5 | 3.9 | -175.9 | -62.1 | -167.6 | 154.9 | 0 | 0 | 116.4 | ||
| 200 | G | 65.1 | Low | 84.3 | Confident | 25 Ų | 25 | 36 Ų | 36 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | trans | -80.6 | 162 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | N180 | N180-G200 VanDerWaalsContact CB-O 3.3Å; N180-G200 WeakPolarHBondContact CB-O 3.34Å | ||
| 201 | Q | 84.9 | Confident | 84.4 | Confident | 140 Ų | 140 | 36 Ų | 36 | 65% | 0.654 | 19% | 0.188 | S | C | * | . | trans | -122.4 | 149.4 | 166.5 | -72.2 | -174.1 | -8.6 | 0 | 0 | 110.1 | P178 A179 | P178-Q201 HydrophobicContact CB-CB 3.88Å; P178-Q201 HydrophobicContact CB-CG 4.36Å; A179-Q201 CarbonylContact O-C 3.6Å; A179-Q201 WeakPolarHBondContact O-CA 3.26Å | ||
| 202 | Y | 91.4 | Very high | 84.8 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -139.6 | 157.6 | 176.5 | 60.9 | -103.4 | 0 | 0 | 0 | 110.7 | I148 R150 P178 A179 S181 V193 A196 V206 | I148-Y202 HydrophobicContact CD1-CD2 4.45Å; I148-Y202 HydrophobicContact CD1-CE2 4.36Å; R150-Y202 VanDerWaalsContact CD-OH 3.26Å; R150-Y202 WeakPolarHBondContact CD-OH 3.46Å; R150-Y202 HydrophobicContact CG-CE2 4.4Å; R150-Y202 PolarHBondContact NH1-OH 2.81Å; P178-Y202 CarbonylContact C-O 3.52Å; P178-Y202 VanDerWaalsContact CA-O 3.25Å; P178-Y202 WeakPolarHBondContact CA-O 3.47Å; P178-Y202 WeakPolarHBondContact CB-O 3.22Å; A179-Y202 HydrophobicContact CB-CD2 4.38Å; A179-Y202 HydrophobicContact CB-CE2 3.72Å; A179-Y202 PolarHBondContact N-O 3.13Å; A179-Y202 WeakPolarHBondContact O-CD1 3.44Å; A179-Y202 PolarHBondContact O-N 3.38Å; S181-Y202 PolarHBondContact O-OH 3.25Å; V193-Y202 HydrophobicContact CB-CD1 4.35Å; V193-Y202 HydrophobicContact CB-CE1 4.35Å; V193-Y202 HydrophobicContact CG1-CD1 4.38Å; V193-Y202 HydrophobicContact CG1-CE1 3.89Å; V193-Y202 HydrophobicContact CG2-CD1 3.98Å; V193-Y202 HydrophobicContact CG2-CD2 4.25Å; V193-Y202 HydrophobicContact CG2-CE1 4.15Å; V193-Y202 HydrophobicContact CG2-CE2 4.41Å; V193-Y202 HydrophobicContact CG2-CG 4.04Å; A196-Y202 HydrophobicContact CB-CD1 4.1Å; Y202-V206 HydrophobicContact CD2-CB 4.47Å; Y202-V206 HydrophobicContact CD2-CG1 3.52Å; Y202-V206 HydrophobicContact CD2-CG2 4.15Å; Y202-V206 HydrophobicContact CE2-CG1 4.37Å; Y202-V206 HydrophobicContact CE2-CG2 4.37Å; Y202-V206 HydrophobicContact CG-CG1 3.81Å |
| 203 | D | 94.5 | Very high | 85.2 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | trans | -114.3 | -160.5 | -175.9 | 66.4 | 7.7 | 0 | 0 | 0 | 112 | K205 V206 | D203-K205 PolarHBondContact O-N 3.32Å; D203-K205 WeakPolarHBondContact OD1-CB 3.28Å; D203-K205 WeakPolarHBondContact OD1-CG 3.47Å; D203-K205 PolarHBondContact OD1-N 3.18Å; D203-V206 WeakPolarHBondContact O-CG2 3.44Å | ||
| 204 | G | 96.3 | Very high | 85.7 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H143 V206 D207 | H143-G204 PolarHBondContact CE1-O 3.23Å; H143-G204 PolarHBondContact NE2-O 3.31Å; G204-V206 PolarHBondContact O-N 3.35Å; G204-D207 PolarHBondContact O-N 3.11Å |
| 205 | K | 98.2 | Very high | 86.3 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -15.6 | -177.3 | -61.4 | -176.8 | 179.9 | -162.9 | 0 | 113.1 | D203 D207 I208 W209 P266 R269 H271 | D203-K205 PolarHBondContact O-N 3.32Å; D203-K205 WeakPolarHBondContact OD1-CB 3.28Å; D203-K205 WeakPolarHBondContact OD1-CG 3.47Å; D203-K205 PolarHBondContact OD1-N 3.18Å; K205-D207 PolarHBondContact O-N 3.42Å; K205-I208 WeakPolarHBondContact O-CB 3.35Å; K205-I208 PolarHBondContact O-N 3.44Å; K205-I208 VanDerWaalsContact O-N 3.17Å; K205-W209 PolarHBondContact O-N 2.91Å; K205-P266 WeakPolarHBondContact CD-O 3.17Å; K205-P266 WeakPolarHBondContact CE-O 3.36Å; K205-P266 PolarHBondContact NZ-O 2.92Å; K205-R269 VanDerWaalsContact C-NH1 3.34Å; K205-R269 HydrophobicContact CD-CB 4.47Å; K205-R269 WeakPolarHBondContact CD-O 3.41Å; K205-R269 WeakPolarHBondContact CE-O 3.5Å; K205-R269 PolarHBondContact NZ-O 3.01Å; K205-R269 WeakPolarHBondContact O-CD 3.34Å; K205-R269 PolarHBondContact O-NH1 2.97Å; K205-H271 WeakPolarHBondContact CE-CD2 3.32Å; K205-H271 WeakPolarHBondContact CE-NE2 3.35Å |
| 206 | V | 97.9 | Very high | 87.4 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -33.3 | 171.9 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | I148 R150 A190 E192 V193 Y202 D203 G204 S210 | I148-V206 HydrophobicContact CG2-CG2 3.63Å; R150-V206 HydrophobicContact CG-CG2 4.42Å; A190-V206 HydrophobicContact CB-CB 4Å; A190-V206 HydrophobicContact CB-CG1 4.16Å; E192-V206 HydrophobicContact CG-CG1 4.07Å; E192-V206 WeakPolarHBondContact OE1-CG1 3.25Å; V193-V206 HydrophobicContact CG2-CB 3.85Å; V193-V206 HydrophobicContact CG2-CG1 3.42Å; V193-V206 VanDerWaalsContact CG2-CG1 3.42Å; Y202-V206 HydrophobicContact CD2-CB 4.47Å; Y202-V206 HydrophobicContact CD2-CG1 3.52Å; Y202-V206 HydrophobicContact CD2-CG2 4.15Å; Y202-V206 HydrophobicContact CE2-CG1 4.37Å; Y202-V206 HydrophobicContact CE2-CG2 4.37Å; Y202-V206 HydrophobicContact CG-CG1 3.81Å; D203-V206 WeakPolarHBondContact O-CG2 3.44Å; G204-V206 PolarHBondContact O-N 3.35Å; V206-S210 WeakPolarHBondContact O-CB 3.38Å; V206-S210 PolarHBondContact O-N 3.26Å; V206-S210 PolarHBondContact O-OG 3.35Å |
| 207 | D | 98.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -77.2 | -26 | 177.4 | -70 | -34.1 | 0 | 0 | 0 | 111.7 | L139 H143 I148 H149 R150 V152 G204 K205 S210 L211 | L139-D207 HydrophobicContact CD1-CB 3.95Å; L139-D207 HydrophobicContact CD2-CB 3.78Å; L139-D207 HydrophobicContact CG-CB 4.47Å; H143-D207 IonicContact NE2-OD2 2.76Å; I148-D207 WeakPolarHBondContact CG2-OD2 3.21Å; H149-D207 WeakPolarHBondContact CA-OD2 3.25Å; H149-D207 WeakPolarHBondContact CB-OD2 3.22Å; H149-D207 PolarHBondContact N-OD2 3.24Å; R150-D207 VanDerWaalsContact CA-OD1 3.27Å; R150-D207 WeakPolarHBondContact CA-OD1 3.3Å; R150-D207 PolarHBondContact N-OD1 3.33Å; R150-D207 PolarHBondContact N-OD2 3.16Å; V152-D207 HydrophobicContact CG2-CB 4.01Å; G204-D207 PolarHBondContact O-N 3.11Å; K205-D207 PolarHBondContact O-N 3.42Å; D207-S210 PolarHBondContact O-N 3.43Å; D207-L211 VanDerWaalsContact O-CB 3.28Å; D207-L211 WeakPolarHBondContact O-CB 3.34Å; D207-L211 PolarHBondContact O-N 2.89Å |
| 208 | I | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.2 | -39.5 | 172.9 | -53.7 | -56.6 | 0 | 0 | 0 | 111.1 | L136 L139 K205 G212 C261 R269 M275 | L136-I208 HydrophobicContact CD1-CD1 3.7Å; L139-I208 HydrophobicContact CD1-CD1 4.38Å; K205-I208 WeakPolarHBondContact O-CB 3.35Å; K205-I208 PolarHBondContact O-N 3.44Å; K205-I208 VanDerWaalsContact O-N 3.17Å; I208-G212 PolarHBondContact O-N 3.36Å; I208-C261 HydrophobicContact CG2-CB 4.44Å; I208-C261 WeakPolarHBondContact O-CB 3.45Å; I208-C261 PolarHBondContact O-SG 3.32Å; I208-R269 HydrophobicContact CG2-CG 4.32Å; I208-M275 HydrophobicContact CG2-CG 4.22Å |
| 209 | W | 98.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -47.4 | 169.2 | 172.8 | -76.4 | 0 | 0 | 0 | 111.4 | W188 M189 A190 P191 K205 L211 G212 I213 I237 C261 L262 K264 | W188-W209 VanDerWaalsContact O-CD1 3.29Å; M189-W209 PolarHBondContact O-NE1 2.94Å; M189-W209 VanDerWaalsContact O-NE1 3.08Å; A190-W209 VanDerWaalsContact CA-CD1 3.42Å; A190-W209 HydrophobicContact CB-CB 3.75Å; A190-W209 HydrophobicContact CB-CD2 4.31Å; A190-W209 HydrophobicContact CB-CG 3.67Å; P191-W209 HydrophobicContact CG-CD2 4.5Å; P191-W209 HydrophobicContact CG-CE3 4.24Å; P191-W209 HydrophobicContact CG-CH2 3.65Å; P191-W209 HydrophobicContact CG-CZ2 3.92Å; P191-W209 HydrophobicContact CG-CZ3 3.82Å; K205-W209 PolarHBondContact O-N 2.91Å; W209-L211 VanDerWaalsContact C-N 3.25Å; W209-L211 PolarHBondContact O-N 2.98Å; W209-G212 WeakPolarHBondContact O-CA 3.36Å; W209-G212 PolarHBondContact O-N 3.33Å; W209-I213 HydrophobicContact CZ2-CD1 4.47Å; W209-I213 PolarHBondContact O-N 2.74Å; W209-I237 HydrophobicContact CZ2-CG2 3.98Å; W209-C261 WeakPolarHBondContact CA-O 3.3Å; W209-L262 HydrophobicContact CD2-CD2 3.56Å; W209-L262 HydrophobicContact CE3-CB 4.26Å; W209-L262 HydrophobicContact CE3-CD2 3.79Å; W209-L262 HydrophobicContact CG-CD2 3.93Å; W209-L262 HydrophobicContact CH2-CD2 4.4Å; W209-L262 HydrophobicContact CZ2-CD2 4.21Å; W209-L262 HydrophobicContact CZ3-CB 4.11Å; W209-L262 HydrophobicContact CZ3-CD2 4.2Å; W209-L262 VanDerWaalsContact CZ3-O 3.28Å; W209-L262 WeakPolarHBondContact CZ3-O 3.38Å; W209-L262 WeakPolarHBondContact O-CD2 3.46Å; W209-K264 HydrophobicContact CH2-CG 3.91Å; W209-K264 HydrophobicContact CZ3-CG 3.76Å |
| 210 | S | 98.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 15.3 Ų | 15.3 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.2 | -36.1 | 179.4 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | W188 V206 D207 I213 T214 | W188-S210 PolarHBondContact O-OG 3.06Å; W188-S210 VanDerWaalsContact O-OG 3.13Å; V206-S210 WeakPolarHBondContact O-CB 3.38Å; V206-S210 PolarHBondContact O-N 3.26Å; V206-S210 PolarHBondContact O-OG 3.35Å; D207-S210 PolarHBondContact O-N 3.43Å; S210-I213 PolarHBondContact O-N 3.5Å; S210-T214 WeakPolarHBondContact O-CB 3.43Å; S210-T214 PolarHBondContact O-N 2.92Å; S210-T214 PolarHBondContact O-OG1 3.06Å |
| 211 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 171.3 | -176.2 | 66.8 | 0 | 0 | 0 | 112.3 | T132 A135 L136 L139 V152 D207 W209 T214 C215 F257 | T132-L211 HydrophobicContact CG2-CD1 4.25Å; T132-L211 HydrophobicContact CG2-CD2 4.1Å; T132-L211 HydrophobicContact CG2-CG 4.26Å; A135-L211 HydrophobicContact CB-CD1 4.08Å; L136-L211 HydrophobicContact CB-CD2 4.03Å; L136-L211 HydrophobicContact CD1-CD2 3.84Å; L136-L211 HydrophobicContact CG-CD2 4.41Å; L139-L211 HydrophobicContact CD1-CB 4.39Å; L139-L211 HydrophobicContact CD1-CD2 4.29Å; V152-L211 HydrophobicContact CG1-CD1 4.45Å; D207-L211 VanDerWaalsContact O-CB 3.28Å; D207-L211 WeakPolarHBondContact O-CB 3.34Å; D207-L211 PolarHBondContact O-N 2.89Å; W209-L211 VanDerWaalsContact C-N 3.25Å; W209-L211 PolarHBondContact O-N 2.98Å; L211-T214 CarbonylContact O-C 3.49Å; L211-T214 WeakPolarHBondContact O-CB 3.37Å; L211-T214 PolarHBondContact O-N 3.09Å; L211-C215 PolarHBondContact O-N 3.48Å; L211-C215 PolarHBondContact O-SG 3.36Å; L211-F257 HydrophobicContact CD2-CZ 4.35Å |
| 212 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I208 W209 T214 C215 I216 | I208-G212 PolarHBondContact O-N 3.36Å; W209-G212 WeakPolarHBondContact O-CA 3.36Å; W209-G212 PolarHBondContact O-N 3.33Å; G212-T214 VanDerWaalsContact C-N 3.28Å; G212-T214 PolarHBondContact O-N 3.39Å; G212-C215 WeakPolarHBondContact O-CB 3.45Å; G212-C215 PolarHBondContact O-N 2.7Å; G212-C215 VanDerWaalsContact O-N 3.15Å; G212-I216 PolarHBondContact O-N 2.9Å; G212-I216 VanDerWaalsContact O-N 3.15Å |
| 213 | I | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.015 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.4 | -37.1 | 172.7 | -58.9 | -59.5 | 0 | 0 | 0 | 111.2 | W188 W209 S210 C215 I216 E217 P223 P224 P243 L262 | W188-I213 HydrophobicContact CB-CB 4.49Å; W188-I213 HydrophobicContact CB-CG2 4.3Å; W188-I213 HydrophobicContact CD2-CG2 4.46Å; W188-I213 HydrophobicContact CG-CB 4.35Å; W188-I213 HydrophobicContact CG-CG2 3.82Å; W209-I213 HydrophobicContact CZ2-CD1 4.47Å; W209-I213 PolarHBondContact O-N 2.74Å; S210-I213 PolarHBondContact O-N 3.5Å; I213-C215 VanDerWaalsContact C-N 3.33Å; I213-C215 PolarHBondContact O-N 3.13Å; I213-I216 PolarHBondContact O-N 3.46Å; I213-E217 PolarHBondContact O-N 2.87Å; I213-P223 HydrophobicContact CG2-CB 3.62Å; I213-P224 HydrophobicContact CD1-CG 4.41Å; I213-P243 HydrophobicContact CD1-CG 3.74Å; I213-L262 HydrophobicContact CD1-CD1 4.07Å; I213-L262 HydrophobicContact CD1-CD2 3.72Å; I213-L262 HydrophobicContact CG1-CD2 3.94Å |
| 214 | T | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.6 | -34.7 | 174.7 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | V152 K153 A154 I157 S210 L211 G212 E217 L218 | V152-T214 PolarHBondContact O-OG1 3.37Å; K153-T214 WeakPolarHBondContact CA-OG1 3.34Å; A154-T214 HydrophobicContact CB-CG2 4.13Å; I157-T214 HydrophobicContact CD1-CG2 3.79Å; S210-T214 WeakPolarHBondContact O-CB 3.43Å; S210-T214 PolarHBondContact O-N 2.92Å; S210-T214 PolarHBondContact O-OG1 3.06Å; L211-T214 CarbonylContact O-C 3.49Å; L211-T214 WeakPolarHBondContact O-CB 3.37Å; L211-T214 PolarHBondContact O-N 3.09Å; G212-T214 VanDerWaalsContact C-N 3.28Å; G212-T214 PolarHBondContact O-N 3.39Å; T214-E217 WeakPolarHBondContact O-CB 3.46Å; T214-E217 PolarHBondContact O-N 2.75Å; T214-L218 WeakPolarHBondContact O-CG 3.24Å; T214-L218 PolarHBondContact O-N 3.35Å |
| 215 | C | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 173.5 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | T132 L211 G212 I213 L218 A219 F254 I258 | T132-C215 PolarHBondContact OG1-SG 3.14Å; L211-C215 PolarHBondContact O-N 3.48Å; L211-C215 PolarHBondContact O-SG 3.36Å; G212-C215 WeakPolarHBondContact O-CB 3.45Å; G212-C215 PolarHBondContact O-N 2.7Å; G212-C215 VanDerWaalsContact O-N 3.15Å; I213-C215 VanDerWaalsContact C-N 3.33Å; I213-C215 PolarHBondContact O-N 3.13Å; C215-L218 PolarHBondContact O-N 3.11Å; C215-A219 WeakPolarHBondContact O-CB 3.49Å; C215-A219 PolarHBondContact O-N 2.88Å; C215-A219 VanDerWaalsContact O-N 3.11Å; C215-F254 HydrophobicContact CB-CE2 3.88Å; C215-F254 HydrophobicContact CB-CZ 4.19Å; C215-I258 HydrophobicContact CB-CD1 3.8Å; C215-I258 HydrophobicContact CB-CG1 3.75Å |
| 216 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 170.4 | -59.4 | 174.6 | 0 | 0 | 0 | 110.4 | G212 I213 L218 A219 E220 P224 P243 L245 I258 L262 | G212-I216 PolarHBondContact O-N 2.9Å; G212-I216 VanDerWaalsContact O-N 3.15Å; I213-I216 PolarHBondContact O-N 3.46Å; I216-L218 VanDerWaalsContact C-N 3.32Å; I216-L218 PolarHBondContact O-N 2.92Å; I216-A219 CarbonylContact O-C 3.58Å; I216-A219 PolarHBondContact O-N 2.97Å; I216-A219 VanDerWaalsContact O-N 3.13Å; I216-E220 HydrophobicContact CG2-CB 4.33Å; I216-E220 HydrophobicContact CG2-CG 4.07Å; I216-E220 WeakPolarHBondContact O-CB 3.45Å; I216-E220 PolarHBondContact O-N 3.11Å; I216-P224 HydrophobicContact CD1-CG 4.05Å; I216-P224 HydrophobicContact CG2-CG 4.03Å; I216-P243 HydrophobicContact CD1-CB 4.34Å; I216-P243 HydrophobicContact CD1-CG 4.3Å; I216-L245 HydrophobicContact CG1-CD2 4.19Å; I216-I258 HydrophobicContact CD1-CG2 4.06Å; I216-I258 HydrophobicContact CG1-CD1 4.09Å; I216-I258 HydrophobicContact CG1-CG2 4.08Å; I216-L262 HydrophobicContact CD1-CD1 3.73Å |
| 217 | E | 97.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.047 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.5 | -40.4 | 175.7 | -174.7 | -172.5 | -177 | 0 | 0 | 112.5 | L116 A154 W188 I213 T214 R221 K222 | L116-E217 HydrophobicContact CD1-CG 4.3Å; L116-E217 WeakPolarHBondContact CD1-O 3.24Å; A154-E217 HydrophobicContact CB-CG 4.15Å; A154-E217 WeakPolarHBondContact CB-OE1 3.29Å; A154-E217 VanDerWaalsContact CB-OE2 3.3Å; A154-E217 WeakPolarHBondContact CB-OE2 3.33Å; A154-E217 PolarHBondContact N-OE2 3.3Å; W188-E217 HydrophobicContact CZ2-CG 4.46Å; W188-E217 WeakPolarHBondContact CZ2-OE2 3.43Å; W188-E217 PolarHBondContact NE1-OE2 2.96Å; I213-E217 PolarHBondContact O-N 2.87Å; T214-E217 WeakPolarHBondContact O-CB 3.46Å; T214-E217 PolarHBondContact O-N 2.75Å; E217-R221 CarbonylContact O-C 3.57Å; E217-R221 WeakPolarHBondContact O-CA 3.25Å; E217-R221 PolarHBondContact O-N 3.42Å; E217-K222 PolarHBondContact O-N 3.3Å |
| 218 | L | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73 | -28 | 176.8 | -61.2 | 174.8 | 0 | 0 | 0 | 113.1 | A112 L116 P122 L123 I128 I131 A154 T214 C215 I216 | A112-L218 HydrophobicContact CB-CD2 3.9Å; L116-L218 HydrophobicContact CD1-CD2 4.05Å; L116-L218 HydrophobicContact CG-CD2 4.35Å; P122-L218 WeakPolarHBondContact CA-O 3.3Å; L123-L218 HydrophobicContact CD1-CD2 4.04Å; L123-L218 PolarHBondContact N-O 3.19Å; L123-L218 VanDerWaalsContact N-O 3.1Å; I128-L218 HydrophobicContact CD1-CB 3.97Å; I128-L218 HydrophobicContact CG1-CB 3.86Å; I128-L218 HydrophobicContact CG2-CB 4.35Å; I128-L218 HydrophobicContact CG2-CD1 4.15Å; I131-L218 HydrophobicContact CB-CD1 4.42Å; I131-L218 HydrophobicContact CG2-CD1 4.07Å; A154-L218 HydrophobicContact CB-CD2 3.83Å; T214-L218 WeakPolarHBondContact O-CG 3.24Å; T214-L218 PolarHBondContact O-N 3.35Å; C215-L218 PolarHBondContact O-N 3.11Å; I216-L218 VanDerWaalsContact C-N 3.32Å; I216-L218 PolarHBondContact O-N 2.92Å |
| 219 | A | 97.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -86.5 | -30.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P122 I128 C215 I216 L245 W250 F254 | P122-A219 VanDerWaalsContact CB-O 3.24Å; P122-A219 WeakPolarHBondContact CB-O 3.41Å; P122-A219 WeakPolarHBondContact CG-O 3.45Å; I128-A219 HydrophobicContact CD1-CB 4.15Å; C215-A219 WeakPolarHBondContact O-CB 3.49Å; C215-A219 PolarHBondContact O-N 2.88Å; C215-A219 VanDerWaalsContact O-N 3.11Å; I216-A219 CarbonylContact O-C 3.58Å; I216-A219 PolarHBondContact O-N 2.97Å; I216-A219 VanDerWaalsContact O-N 3.13Å; A219-L245 HydrophobicContact CB-CD2 3.57Å; A219-W250 HydrophobicContact CB-CH2 4.04Å; A219-W250 HydrophobicContact CB-CZ2 3.52Å; A219-F254 HydrophobicContact CB-CE1 4.13Å; A219-F254 HydrophobicContact CB-CZ 4.3Å |
| 220 | E | 95.1 | Very high | 92 | Very high | 50 Ų | 50 | 33.1 Ų | 33.1 | 23% | 0.234 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -120.8 | 3.3 | -174 | -57.2 | -167.3 | 176.1 | 0 | 0 | 112.8 | I216 K222 Q246 | I216-E220 HydrophobicContact CG2-CB 4.33Å; I216-E220 HydrophobicContact CG2-CG 4.07Å; I216-E220 WeakPolarHBondContact O-CB 3.45Å; I216-E220 PolarHBondContact O-N 3.11Å; E220-K222 PolarHBondContact O-N 2.68Å; E220-Q246 WeakPolarHBondContact OE1-CB 3.36Å; E220-Q246 PolarHBondContact OE1-N 3Å; E220-Q246 PolarHBondContact OE2-NE2 3.35Å |
| 221 | R | 94.6 | Very high | 90.8 | Very high | 110 Ų | 110 | 36.5 Ų | 36.5 | 42% | 0.415 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 66.9 | -0.4 | -178.9 | -51.4 | 167.8 | 57.9 | -152.3 | -9.2 | 115.8 | L116 K120 P122 E217 | L116-R221 HydrophobicContact CD2-CG 4.25Å; K120-R221 VanDerWaalsContact C-CZ 3.41Å; K120-R221 VanDerWaalsContact C-NE 3.33Å; K120-R221 PolarHBondContact O-NE 2.92Å; K120-R221 PolarHBondContact O-NH1 3.04Å; P122-R221 HydrophobicContact CG-CG 4.29Å; E217-R221 CarbonylContact O-C 3.57Å; E217-R221 WeakPolarHBondContact O-CA 3.25Å; E217-R221 PolarHBondContact O-N 3.42Å |
| 222 | K | 92.9 | Very high | 89.6 | Confident | 114 Ų | 114 | 37.6 Ų | 37.6 | 50% | 0.496 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -152.9 | 152 | -179.7 | -72.2 | -175.6 | 171.7 | -175.3 | 0 | 109.5 | E217 E220 F226 | E217-K222 PolarHBondContact O-N 3.3Å; E220-K222 PolarHBondContact O-N 2.68Å; K222-F226 HydrophobicContact CB-CB 4.36Å; K222-F226 HydrophobicContact CB-CG 4.43Å; K222-F226 HydrophobicContact CD-CB 4.37Å; K222-F226 HydrophobicContact CD-CD1 3.61Å; K222-F226 HydrophobicContact CD-CE1 4.09Å; K222-F226 HydrophobicContact CD-CG 4.05Å; K222-F226 HydrophobicContact CG-CD1 4.36Å; K222-F226 HydrophobicContact CG-CG 4.44Å |
| 223 | P | 94.9 | Very high | 88.5 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | trans | -68.7 | 161 | 167.7 | 33.9 | -38.3 | 0 | 0 | 0 | 110.6 | Y187 W188 I213 F226 | Y187-P223 HydrophobicContact CG-CG 4.35Å; W188-P223 HydrophobicContact CD2-CB 4.34Å; W188-P223 HydrophobicContact CD2-CG 4.43Å; W188-P223 HydrophobicContact CE3-CG 4.42Å; W188-P223 HydrophobicContact CH2-CB 4.5Å; W188-P223 HydrophobicContact CH2-CG 3.65Å; W188-P223 HydrophobicContact CZ2-CB 4.07Å; W188-P223 HydrophobicContact CZ2-CG 3.62Å; W188-P223 HydrophobicContact CZ3-CG 4.06Å; I213-P223 HydrophobicContact CG2-CB 3.62Å; P223-F226 HydrophobicContact CG-CB 4.22Å; P223-F226 HydrophobicContact CG-CD2 3.83Å; P223-F226 HydrophobicContact CG-CG 4.48Å; P223-F226 WeakPolarHBondContact O-CB 3.49Å | ||
| 224 | P | 91.1 | Very high | 87.6 | Confident | 24 Ų | 24 | 38 Ų | 38 | 16% | 0.156 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 154.5 | 166.4 | -25.9 | 36.9 | 0 | 0 | 0 | 112.3 | I213 I216 F226 P243 | I213-P224 HydrophobicContact CD1-CG 4.41Å; I216-P224 HydrophobicContact CD1-CG 4.05Å; I216-P224 HydrophobicContact CG2-CG 4.03Å; P224-F226 PolarHBondContact O-N 3.27Å; P224-P243 HydrophobicContact CB-CB 3.82Å; P224-P243 HydrophobicContact CB-CG 4.09Å; P224-P243 HydrophobicContact CG-CB 3.55Å; P224-P243 HydrophobicContact CG-CG 3.69Å |
| 225 | L | 88.6 | Confident | 86.3 | Confident | 49 Ų | 49 | 40.2 Ų | 40.2 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 6.6 | 175.2 | -47.2 | 167 | 0 | 0 | 0 | 115.8 | Y187 N227 M228 A233 H236 I237 | Y187-L225 HydrophobicContact CD1-CB 4.47Å; Y187-L225 WeakPolarHBondContact CE1-O 3.36Å; L225-N227 PolarHBondContact O-N 3.44Å; L225-M228 HydrophobicContact CB-CG 4.42Å; L225-M228 HydrophobicContact CB-SD 4.4Å; L225-M228 HydrophobicContact CD2-SD 3.95Å; L225-M228 WeakPolarHBondContact O-CB 3.26Å; L225-M228 PolarHBondContact O-N 2.94Å; L225-A233 HydrophobicContact CB-CB 4.15Å; L225-H236 HydrophobicContact CD1-CB 3.62Å; L225-H236 HydrophobicContact CD2-CB 4.04Å; L225-H236 HydrophobicContact CG-CB 4.48Å; L225-I237 HydrophobicContact CD1-CD1 4.49Å; L225-I237 HydrophobicContact CD1-CG1 3.82Å |
| 226 | F | 85.3 | Confident | 85.2 | Confident | 54 Ų | 54 | 41.7 Ų | 41.7 | 24% | 0.237 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -16.1 | -179.5 | -170.3 | -87.6 | 0 | 0 | 0 | 114.7 | K222 P223 P224 M228 I359 | K222-F226 HydrophobicContact CB-CB 4.36Å; K222-F226 HydrophobicContact CB-CG 4.43Å; K222-F226 HydrophobicContact CD-CB 4.37Å; K222-F226 HydrophobicContact CD-CD1 3.61Å; K222-F226 HydrophobicContact CD-CE1 4.09Å; K222-F226 HydrophobicContact CD-CG 4.05Å; K222-F226 HydrophobicContact CG-CD1 4.36Å; K222-F226 HydrophobicContact CG-CG 4.44Å; P223-F226 HydrophobicContact CG-CB 4.22Å; P223-F226 HydrophobicContact CG-CD2 3.83Å; P223-F226 HydrophobicContact CG-CG 4.48Å; P223-F226 WeakPolarHBondContact O-CB 3.49Å; P224-F226 PolarHBondContact O-N 3.27Å; F226-M228 VanDerWaalsContact C-N 3.34Å; F226-I359 HydrophobicContact CE1-CD1 4.24Å; F226-I359 HydrophobicContact CZ-CD1 3.86Å; F226-I359 HydrophobicContact CZ-CG1 4.14Å |
| 227 | N | 79.7 | Confident | 84.6 | Confident | 147 Ų | 147 | 42.4 Ų | 42.4 | 79% | 0.786 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -8.7 | 173.7 | 65.3 | -60.5 | 0 | 0 | 0 | 113.8 | L225 | L225-N227 PolarHBondContact O-N 3.44Š|
| 228 | M | 77.1 | Confident | 83.7 | Confident | 44 Ų | 44 | 42.7 Ų | 42.7 | 22% | 0.217 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -95.2 | 162.4 | 178 | -51.3 | -164.7 | 84 | 0 | 0 | 111.2 | Y187 L225 F226 L812 | Y187-M228 PolarHBondContact OH-O 3.33Å; L225-M228 HydrophobicContact CB-CG 4.42Å; L225-M228 HydrophobicContact CB-SD 4.4Å; L225-M228 HydrophobicContact CD2-SD 3.95Å; L225-M228 WeakPolarHBondContact O-CB 3.26Å; L225-M228 PolarHBondContact O-N 2.94Å; F226-M228 VanDerWaalsContact C-N 3.34Å; M228-L812 HydrophobicContact CE-CD2 4.29Å |
| 229 | N | 76.2 | Confident | 82.5 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 19% | 0.193 | 23% | 0.232 | C | C | . | . | trans | -69.8 | 158.6 | 165.4 | 77.2 | 67.6 | 0 | 0 | 0 | 110.8 | M231 S232 A233 | N229-M231 VanDerWaalsContact C-N 3.31Å; N229-M231 PolarHBondContact O-N 2.91Å; N229-M231 WeakPolarHBondContact OD1-CB 3.48Å; N229-M231 PolarHBondContact OD1-N 3.02Å; N229-S232 PolarHBondContact ND2-OG 3.05Å; N229-S232 PolarHBondContact O-N 3.46Å; N229-S232 PolarHBondContact OD1-N 3.18Å; N229-S232 PolarHBondContact OD1-OG 3.4Å; N229-A233 PolarHBondContact O-N 3.13Å | ||
| 230 | A | 73.6 | Confident | 81.7 | Confident | 36 Ų | 36 | 50 Ų | 50 | 30% | 0.298 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.5 | -35.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P186 L234 | P186-A230 HydrophobicContact CB-CB 4.1Å; P186-A230 HydrophobicContact CG-CB 3.98Å; A230-L234 WeakPolarHBondContact O-CD1 3.41Å; A230-L234 VanDerWaalsContact O-CG 3.22Å; A230-L234 WeakPolarHBondContact O-CG 3.41Å; A230-L234 PolarHBondContact O-N 2.98Å; A230-L234 VanDerWaalsContact O-N 3.1Å |
| 231 | M | 73.2 | Confident | 81 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72 | -42.2 | 179.9 | -169 | 66.5 | 80.3 | 0 | 0 | 111.1 | N229 A233 L234 Y235 M465 Y468 | N229-M231 VanDerWaalsContact C-N 3.31Å; N229-M231 PolarHBondContact O-N 2.91Å; N229-M231 WeakPolarHBondContact OD1-CB 3.48Å; N229-M231 PolarHBondContact OD1-N 3.02Å; M231-A233 VanDerWaalsContact C-N 3.35Å; M231-L234 PolarHBondContact O-N 3.43Å; M231-Y235 PolarHBondContact O-N 3.44Å; M231-Y235 VanDerWaalsContact O-N 3.09Å; M231-M465 HydrophobicContact CE-CE 3.76Å; M231-M465 HydrophobicContact CE-SD 3.83Å; M231-Y468 HydrophobicContact CE-CD1 3.85Å; M231-Y468 HydrophobicContact CE-CE1 3.79Å |
| 232 | S | 73.4 | Confident | 80.7 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 173.8 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | N229 Y235 H236 | N229-S232 PolarHBondContact ND2-OG 3.05Å; N229-S232 PolarHBondContact O-N 3.46Å; N229-S232 PolarHBondContact OD1-N 3.18Å; N229-S232 PolarHBondContact OD1-OG 3.4Å; S232-Y235 PolarHBondContact O-N 2.98Å; S232-H236 PolarHBondContact O-CD2 3.02Å; S232-H236 VanDerWaalsContact O-CD2 3.3Å; S232-H236 PolarHBondContact O-N 2.97Å |
| 233 | A | 75.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y187 L225 N229 M231 Y235 H236 I237 | Y187-A233 HydrophobicContact CD1-CB 3.57Å; Y187-A233 HydrophobicContact CE1-CB 3.56Å; L225-A233 HydrophobicContact CB-CB 4.15Å; N229-A233 PolarHBondContact O-N 3.13Å; M231-A233 VanDerWaalsContact C-N 3.35Å; A233-Y235 VanDerWaalsContact C-N 3.33Å; A233-Y235 PolarHBondContact O-N 2.76Å; A233-H236 PolarHBondContact O-N 2.82Å; A233-I237 WeakPolarHBondContact O-CG1 3.43Å; A233-I237 PolarHBondContact O-N 3.43Å |
| 234 | L | 80.9 | Confident | 80.5 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 175.6 | -69.8 | 163.4 | 0 | 0 | 0 | 112.1 | F182 P186 M189 I194 A230 M231 I237 A238 | F182-L234 HydrophobicContact CE2-CD2 4.33Å; F182-L234 HydrophobicContact CZ-CD1 3.87Å; F182-L234 HydrophobicContact CZ-CD2 4.02Å; P186-L234 HydrophobicContact CB-CD1 4.49Å; P186-L234 HydrophobicContact CB-CD2 4.13Å; P186-L234 HydrophobicContact CB-CG 4.11Å; M189-L234 HydrophobicContact CE-CD2 4.38Å; M189-L234 HydrophobicContact SD-CD2 3.8Å; I194-L234 HydrophobicContact CD1-CB 4.3Å; I194-L234 HydrophobicContact CD1-CD2 3.63Å; I194-L234 HydrophobicContact CG1-CD2 3.79Å; I194-L234 HydrophobicContact CG2-CB 4.25Å; I194-L234 HydrophobicContact CG2-CD2 4.4Å; A230-L234 WeakPolarHBondContact O-CD1 3.41Å; A230-L234 VanDerWaalsContact O-CG 3.22Å; A230-L234 WeakPolarHBondContact O-CG 3.41Å; A230-L234 PolarHBondContact O-N 2.98Å; A230-L234 VanDerWaalsContact O-N 3.1Å; M231-L234 PolarHBondContact O-N 3.43Å; L234-I237 PolarHBondContact O-N 3.48Å; L234-A238 WeakPolarHBondContact O-CB 3.44Å; L234-A238 PolarHBondContact O-N 2.96Å |
| 235 | Y | 70.5 | Confident | 80.5 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 175.3 | 170.1 | -101.9 | 0 | 0 | 0 | 112.2 | M231 S232 A233 A238 Q239 Y816 | M231-Y235 PolarHBondContact O-N 3.44Å; M231-Y235 VanDerWaalsContact O-N 3.09Å; S232-Y235 PolarHBondContact O-N 2.98Å; A233-Y235 VanDerWaalsContact C-N 3.33Å; A233-Y235 PolarHBondContact O-N 2.76Å; Y235-A238 PolarHBondContact O-N 3.5Å; Y235-Q239 HydrophobicContact CD2-CG 3.86Å; Y235-Q239 HydrophobicContact CE2-CB 4.25Å; Y235-Q239 HydrophobicContact CE2-CG 3.46Å; Y235-Q239 VanDerWaalsContact CE2-CG 3.46Å; Y235-Q239 WeakPolarHBondContact O-CB 3.18Å; Y235-Q239 WeakPolarHBondContact O-CG 3.39Å; Y235-Q239 PolarHBondContact O-N 2.99Å; Y235-Y816 AromaticContact CD2-CD2 3.54Å; Y235-Y816 HydrophobicContact CD2-CD2 3.54Å; Y235-Y816 AromaticContact CD2-CE2 3.39Å; Y235-Y816 HydrophobicContact CD2-CE2 3.39Å; Y235-Y816 HydrophobicContact CD2-CG 4.35Å; Y235-Y816 AromaticContact CE2-CD2 3.1Å; Y235-Y816 HydrophobicContact CE2-CD2 3.1Å; Y235-Y816 AromaticContact CE2-CE2 3.35Å; Y235-Y816 HydrophobicContact CE2-CE2 3.35Å; Y235-Y816 HydrophobicContact CE2-CG 4.07Å; Y235-Y816 AromaticContact CZ-CD2 3.83Å |
| 236 | H | 74.7 | Confident | 80.4 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 15% | 0.148 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 179.3 | -88.9 | -88.8 | 0 | 0 | 0 | 112.2 | L225 S232 A233 A238 Q239 N240 | L225-H236 HydrophobicContact CD1-CB 3.62Å; L225-H236 HydrophobicContact CD2-CB 4.04Å; L225-H236 HydrophobicContact CG-CB 4.48Å; S232-H236 PolarHBondContact O-CD2 3.02Å; S232-H236 VanDerWaalsContact O-CD2 3.3Å; S232-H236 PolarHBondContact O-N 2.97Å; A233-H236 PolarHBondContact O-N 2.82Å; H236-A238 VanDerWaalsContact C-N 3.34Å; H236-A238 PolarHBondContact O-N 3.07Å; H236-Q239 PolarHBondContact O-N 3.16Å; H236-N240 PolarHBondContact ND1-ND2 2.88Å; H236-N240 WeakPolarHBondContact O-CB 3.37Å; H236-N240 PolarHBondContact O-N 3.37Å |
| 237 | I | 86.4 | Confident | 80.4 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.077 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 175.6 | -67.1 | 164.4 | 0 | 0 | 0 | 110.9 | P186 M189 P191 I194 W209 L225 A233 L234 K264 | P186-I237 VanDerWaalsContact O-CD1 3.24Å; P186-I237 WeakPolarHBondContact O-CD1 3.39Å; M189-I237 WeakPolarHBondContact O-CG2 3.3Å; P191-I237 HydrophobicContact CB-CG2 4.49Å; P191-I237 HydrophobicContact CG-CG2 3.97Å; I194-I237 HydrophobicContact CD1-CB 3.76Å; I194-I237 HydrophobicContact CD1-CD1 4.43Å; I194-I237 HydrophobicContact CD1-CG2 3.57Å; W209-I237 HydrophobicContact CZ2-CG2 3.98Å; L225-I237 HydrophobicContact CD1-CD1 4.49Å; L225-I237 HydrophobicContact CD1-CG1 3.82Å; A233-I237 WeakPolarHBondContact O-CG1 3.43Å; A233-I237 PolarHBondContact O-N 3.43Å; L234-I237 PolarHBondContact O-N 3.48Å; I237-K264 PolarHBondContact O-NZ 3.35Å |
| 238 | A | 79.1 | Confident | 80.6 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I194 L195 L234 Y235 H236 K264 | I194-A238 HydrophobicContact CG2-CB 4.2Å; L195-A238 HydrophobicContact CD2-CB 4.43Å; L234-A238 WeakPolarHBondContact O-CB 3.44Å; L234-A238 PolarHBondContact O-N 2.96Å; Y235-A238 PolarHBondContact O-N 3.5Å; H236-A238 VanDerWaalsContact C-N 3.34Å; H236-A238 PolarHBondContact O-N 3.07Å; A238-K264 VanDerWaalsContact C-NZ 3.3Å; A238-K264 PolarHBondContact O-NZ 2.84Å |
| 239 | Q | 73.1 | Confident | 81.1 | Confident | 80 Ų | 80 | 60.9 Ų | 60.9 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -103.2 | -33.6 | -167.3 | -65.4 | -66 | -73.6 | 0 | 0 | 116.6 | Y235 H236 | Y235-Q239 HydrophobicContact CD2-CG 3.86Å; Y235-Q239 HydrophobicContact CE2-CB 4.25Å; Y235-Q239 HydrophobicContact CE2-CG 3.46Å; Y235-Q239 VanDerWaalsContact CE2-CG 3.46Å; Y235-Q239 WeakPolarHBondContact O-CB 3.18Å; Y235-Q239 WeakPolarHBondContact O-CG 3.39Å; Y235-Q239 PolarHBondContact O-N 2.99Å; H236-Q239 PolarHBondContact O-N 3.16Å |
| 240 | N | 80.7 | Confident | 82.1 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -86 | 175.3 | -174.8 | -71 | 24.4 | 0 | 0 | 0 | 111.9 | H236 K264 | H236-N240 PolarHBondContact ND1-ND2 2.88Å; H236-N240 WeakPolarHBondContact O-CB 3.37Å; H236-N240 PolarHBondContact O-N 3.37Å; N240-K264 VanDerWaalsContact O-CD 3.29Å; N240-K264 WeakPolarHBondContact O-CD 3.21Å; N240-K264 PolarHBondContact O-NZ 3.45Å |
| 241 | E | 78.9 | Confident | 83.1 | Confident | 182 Ų | 182 | 61 Ų | 61 | 85% | 0.85 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 158.8 | 166.9 | -65.7 | 174.1 | 168.8 | 0 | 0 | 111 | ||
| 242 | S | 88.8 | Confident | 84.2 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 143.9 | 176.1 | 23.5 | 0 | 0 | 0 | 0 | 111.1 | L262 | S242-L262 WeakPolarHBondContact CB-O 3.27Å; S242-L262 PolarHBondContact OG-O 3.02Å; S242-L262 VanDerWaalsContact OG-O 3.1Å |
| 243 | P | 93.1 | Very high | 85.3 | Confident | 38 Ų | 38 | 67.9 Ų | 67.9 | 25% | 0.247 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 147.3 | 177 | 30.3 | -32.5 | 0 | 0 | 0 | 110.8 | I213 I216 P224 L262 | I213-P243 HydrophobicContact CD1-CG 3.74Å; I216-P243 HydrophobicContact CD1-CB 4.34Å; I216-P243 HydrophobicContact CD1-CG 4.3Å; P224-P243 HydrophobicContact CB-CB 3.82Å; P224-P243 HydrophobicContact CB-CG 4.09Å; P224-P243 HydrophobicContact CG-CB 3.55Å; P224-P243 HydrophobicContact CG-CG 3.69Å; P243-L262 HydrophobicContact CG-CD1 4.1Å; P243-L262 WeakPolarHBondContact O-CD1 3.5Å |
| 244 | T | 91.6 | Very high | 86.3 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | trans | -124.2 | 166.9 | 177.2 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | Q246 | T244-Q246 PolarHBondContact O-N 2.96Š| ||
| 245 | L | 90.6 | Very high | 87.1 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 10% | 0.099 | 36% | 0.361 | C | S | . | . | trans | -65 | 128.7 | 173.8 | -72 | 170.7 | 0 | 0 | 0 | 110.8 | I216 A219 W250 F254 R255 I258 | I216-L245 HydrophobicContact CG1-CD2 4.19Å; A219-L245 HydrophobicContact CB-CD2 3.57Å; L245-W250 HydrophobicContact CD1-CB 4.01Å; L245-W250 HydrophobicContact CD1-CG 3.8Å; L245-F254 HydrophobicContact CD1-CD1 3.9Å; L245-F254 HydrophobicContact CD1-CE1 3.88Å; L245-F254 HydrophobicContact CD1-CG 4.48Å; L245-F254 HydrophobicContact CD1-CZ 4.46Å; L245-R255 HydrophobicContact CD1-CG 4.34Å; L245-I258 HydrophobicContact CD1-CD1 3.6Å; L245-I258 HydrophobicContact CD2-CD1 3.93Å; L245-I258 HydrophobicContact CG-CD1 3.66Å | ||
| 246 | Q | 86.1 | Confident | 88.3 | Confident | 168 Ų | 168 | 72 Ų | 72 | 79% | 0.785 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -74.1 | -28.5 | -178 | -63.3 | 179 | 49.2 | 0 | 0 | 113.1 | E220 T244 | E220-Q246 WeakPolarHBondContact OE1-CB 3.36Å; E220-Q246 PolarHBondContact OE1-N 3Å; E220-Q246 PolarHBondContact OE2-NE2 3.35Å; T244-Q246 PolarHBondContact O-N 2.96Å |
| 247 | S | 85.1 | Confident | 89.4 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | trans | -91.8 | 136.5 | -177.7 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | E249 R255 | S247-E249 VanDerWaalsContact C-N 3.26Å; S247-E249 VanDerWaalsContact CB-OE1 3.26Å; S247-E249 WeakPolarHBondContact CB-OE1 3.38Å; S247-E249 PolarHBondContact O-N 3.21Å; S247-E249 VanDerWaalsContact OG-CD 3.29Å; S247-E249 VanDerWaalsContact OG-CG 3.31Å; S247-E249 WeakPolarHBondContact OG-CG 3.14Å; S247-E249 PolarHBondContact OG-N 2.91Å; S247-E249 PolarHBondContact OG-OE1 3.31Å; S247-R255 PolarHBondContact O-NH1 2.97Å; S247-R255 VanDerWaalsContact O-NH1 3.15Å | ||
| 248 | S | 83.1 | Confident | 90 | Very high | 105 Ų | 105 | 69.8 Ų | 69.8 | 73% | 0.734 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.8 | 173.6 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | W250 R255 | S248-W250 PolarHBondContact O-N 2.77Å; S248-R255 PolarHBondContact O-NH1 3.43Å; S248-R255 PolarHBondContact O-NH2 3.01Å |
| 249 | E | 89.3 | Confident | 90.9 | Very high | 153 Ų | 153 | 72 Ų | 72 | 72% | 0.715 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -25 | -174 | 77.5 | -159.8 | 105.6 | 0 | 0 | 115.2 | S247 | S247-E249 VanDerWaalsContact C-N 3.26Å; S247-E249 VanDerWaalsContact CB-OE1 3.26Å; S247-E249 WeakPolarHBondContact CB-OE1 3.38Å; S247-E249 PolarHBondContact O-N 3.21Å; S247-E249 VanDerWaalsContact OG-CD 3.29Å; S247-E249 VanDerWaalsContact OG-CG 3.31Å; S247-E249 WeakPolarHBondContact OG-CG 3.14Å; S247-E249 PolarHBondContact OG-N 2.91Å; S247-E249 PolarHBondContact OG-OE1 3.31Å |
| 250 | W | 96 | Very high | 92 | Very high | 25 Ų | 25 | 69.3 Ų | 69.3 | 10% | 0.095 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -66.5 | 154 | 178.3 | -58 | 107.9 | 0 | 0 | 0 | 112.4 | P122 E125 I128 A219 L245 S248 F254 R255 | P122-W250 HydrophobicContact CB-CH2 4.42Å; P122-W250 HydrophobicContact CB-CZ2 4.49Å; E125-W250 HydrophobicContact CB-CE3 4.01Å; E125-W250 HydrophobicContact CB-CZ3 3.89Å; E125-W250 HydrophobicContact CG-CE3 4.17Å; E125-W250 HydrophobicContact CG-CZ3 4.43Å; I128-W250 HydrophobicContact CD1-CH2 3.97Å; I128-W250 HydrophobicContact CD1-CZ3 4.02Å; A219-W250 HydrophobicContact CB-CH2 4.04Å; A219-W250 HydrophobicContact CB-CZ2 3.52Å; L245-W250 HydrophobicContact CD1-CB 4.01Å; L245-W250 HydrophobicContact CD1-CG 3.8Å; S248-W250 PolarHBondContact O-N 2.77Å; W250-F254 HydrophobicContact CB-CD1 3.99Å; W250-F254 AromaticContact CD2-CD1 3.85Å; W250-F254 HydrophobicContact CD2-CD1 3.85Å; W250-F254 AromaticContact CD2-CE1 3.81Å; W250-F254 HydrophobicContact CD2-CE1 3.81Å; W250-F254 AromaticContact CE3-CD1 3.56Å; W250-F254 HydrophobicContact CE3-CD1 3.56Å; W250-F254 AromaticContact CE3-CE1 3.59Å; W250-F254 HydrophobicContact CE3-CE1 3.59Å; W250-F254 HydrophobicContact CG-CD1 4.04Å; W250-F254 HydrophobicContact CG-CE1 4.29Å; W250-F254 HydrophobicContact CZ3-CD1 4.33Å; W250-F254 HydrophobicContact CZ3-CE1 4.01Å; W250-R255 PolarHBondContact O-NH1 2.92Å; W250-R255 PolarHBondContact O-NH2 2.9Å |
| 251 | T | 95.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 65.6 Ų | 65.6 | 31% | 0.307 | 34% | 0.342 | S | S | . | . | trans | -75.1 | 151.2 | 175.8 | 66.5 | 0 | 0 | 0 | 0 | 111.6 | E125 Y253 F254 R255 R283 | E125-T251 WeakPolarHBondContact OE1-CG2 3.43Å; E125-T251 PolarHBondContact OE1-OG1 2.93Å; E125-T251 WeakPolarHBondContact OE2-CB 3.3Å; E125-T251 WeakPolarHBondContact OE2-CG2 3.09Å; E125-T251 PolarHBondContact OE2-N 3.41Å; E125-T251 PolarHBondContact OE2-OG1 2.76Å; T251-Y253 PolarHBondContact O-N 3.03Å; T251-F254 WeakPolarHBondContact O-CB 3.17Å; T251-F254 PolarHBondContact O-N 3.49Å; T251-R255 PolarHBondContact O-N 3.4Å; T251-R255 VanDerWaalsContact O-N 3.08Å; T251-R283 PolarHBondContact OG1-NH1 2.91Å | ||
| 252 | D | 95.4 | Very high | 93.8 | Very high | 112 Ų | 112 | 57 Ų | 57 | 60% | 0.599 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.5 | -22.1 | -179.2 | -55.1 | -40.7 | 0 | 0 | 0 | 112.4 | R255 N256 | D252-R255 IonicContact OD1-CZ 2.65Å; D252-R255 VanDerWaalsContact OD1-CZ 3.31Å; D252-R255 IonicContact OD1-NE 3.45Å; D252-R255 PolarHBondContact OD1-NE 2.65Å; D252-R255 IonicContact OD1-NH2 2.75Å; D252-R255 PolarHBondContact OD1-NH2 2.78Å; D252-N256 WeakPolarHBondContact O-CB 3.4Å; D252-N256 PolarHBondContact O-N 3.37Å |
| 253 | Y | 95.9 | Very high | 94.2 | Very high | 131 Ų | 131 | 58.2 Ų | 58.2 | 51% | 0.514 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 167.4 | -61.7 | -70.8 | 0 | 0 | 0 | 112.3 | T251 F257 H278 A279 | T251-Y253 PolarHBondContact O-N 3.03Å; Y253-F257 PolarHBondContact O-N 2.99Å; Y253-F257 VanDerWaalsContact O-N 3.07Å; Y253-H278 PolarHBondContact O-CE1 2.93Å; Y253-A279 HydrophobicContact CD1-CB 3.71Å; Y253-A279 HydrophobicContact CE1-CB 4.01Å |
| 254 | F | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.2 | -39.8 | 179.9 | -177.5 | -147.5 | 0 | 0 | 0 | 111.6 | E125 I128 C215 A219 L245 W250 T251 F257 I258 F280 | E125-F254 HydrophobicContact CG-CB 4.21Å; E125-F254 HydrophobicContact CG-CD1 3.96Å; E125-F254 HydrophobicContact CG-CG 4.19Å; I128-F254 HydrophobicContact CB-CZ 4.5Å; I128-F254 HydrophobicContact CD1-CE1 4.07Å; I128-F254 HydrophobicContact CD1-CZ 3.97Å; I128-F254 HydrophobicContact CG2-CE2 3.86Å; I128-F254 HydrophobicContact CG2-CZ 3.73Å; C215-F254 HydrophobicContact CB-CE2 3.88Å; C215-F254 HydrophobicContact CB-CZ 4.19Å; A219-F254 HydrophobicContact CB-CE1 4.13Å; A219-F254 HydrophobicContact CB-CZ 4.3Å; L245-F254 HydrophobicContact CD1-CD1 3.9Å; L245-F254 HydrophobicContact CD1-CE1 3.88Å; L245-F254 HydrophobicContact CD1-CG 4.48Å; L245-F254 HydrophobicContact CD1-CZ 4.46Å; W250-F254 HydrophobicContact CB-CD1 3.99Å; W250-F254 AromaticContact CD2-CD1 3.85Å; W250-F254 HydrophobicContact CD2-CD1 3.85Å; W250-F254 AromaticContact CD2-CE1 3.81Å; W250-F254 HydrophobicContact CD2-CE1 3.81Å; W250-F254 AromaticContact CE3-CD1 3.56Å; W250-F254 HydrophobicContact CE3-CD1 3.56Å; W250-F254 AromaticContact CE3-CE1 3.59Å; W250-F254 HydrophobicContact CE3-CE1 3.59Å; W250-F254 HydrophobicContact CG-CD1 4.04Å; W250-F254 HydrophobicContact CG-CE1 4.29Å; W250-F254 HydrophobicContact CZ3-CD1 4.33Å; W250-F254 HydrophobicContact CZ3-CE1 4.01Å; T251-F254 WeakPolarHBondContact O-CB 3.17Å; T251-F254 PolarHBondContact O-N 3.49Å; F254-F257 PolarHBondContact O-N 3.21Å; F254-I258 HydrophobicContact CD2-CD1 4.1Å; F254-I258 HydrophobicContact CD2-CG1 4.39Å; F254-I258 HydrophobicContact CE1-CD1 4.36Å; F254-I258 HydrophobicContact CE2-CD1 3.6Å; F254-I258 HydrophobicContact CE2-CG1 4.07Å; F254-I258 HydrophobicContact CZ-CD1 3.73Å; F254-I258 PolarHBondContact O-N 2.84Å; F254-I258 VanDerWaalsContact O-N 3.16Å; F254-F280 HydrophobicContact CB-CD2 3.7Å; F254-F280 HydrophobicContact CB-CE2 3.57Å; F254-F280 HydrophobicContact CB-CZ 4.31Å; F254-F280 HydrophobicContact CD2-CD1 4.2Å; F254-F280 AromaticContact CD2-CD2 3.98Å; F254-F280 HydrophobicContact CD2-CD2 3.98Å; F254-F280 AromaticContact CD2-CE1 3.63Å; F254-F280 HydrophobicContact CD2-CE1 3.63Å; F254-F280 AromaticContact CD2-CE2 3.37Å; F254-F280 HydrophobicContact CD2-CE2 3.37Å; F254-F280 HydrophobicContact CD2-CG 4.37Å; F254-F280 AromaticContact CD2-CZ 3.18Å; F254-F280 HydrophobicContact CD2-CZ 3.18Å; F254-F280 AromaticContact CE2-CE1 3.96Å; F254-F280 HydrophobicContact CE2-CE1 3.96Å; F254-F280 HydrophobicContact CE2-CE2 4.2Å; F254-F280 AromaticContact CE2-CZ 3.58Å; F254-F280 HydrophobicContact CE2-CZ 3.58Å; F254-F280 HydrophobicContact CG-CD2 4.16Å; F254-F280 AromaticContact CG-CE2 3.58Å; F254-F280 HydrophobicContact CG-CE2 3.58Å; F254-F280 AromaticContact CG-CZ 3.85Å; F254-F280 HydrophobicContact CG-CZ 3.85Å |
| 255 | R | 96.8 | Very high | 93.8 | Very high | 63 Ų | 63 | 58.6 Ų | 58.6 | 24% | 0.238 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.8 | -54.6 | 169.7 | -67.3 | -170 | -115.4 | -81.5 | 3.8 | 111.1 | L245 S247 S248 W250 T251 D252 F257 I258 D259 | L245-R255 HydrophobicContact CD1-CG 4.34Å; S247-R255 PolarHBondContact O-NH1 2.97Å; S247-R255 VanDerWaalsContact O-NH1 3.15Å; S248-R255 PolarHBondContact O-NH1 3.43Å; S248-R255 PolarHBondContact O-NH2 3.01Å; W250-R255 PolarHBondContact O-NH1 2.92Å; W250-R255 PolarHBondContact O-NH2 2.9Å; T251-R255 PolarHBondContact O-N 3.4Å; T251-R255 VanDerWaalsContact O-N 3.08Å; D252-R255 IonicContact OD1-CZ 2.65Å; D252-R255 VanDerWaalsContact OD1-CZ 3.31Å; D252-R255 IonicContact OD1-NE 3.45Å; D252-R255 PolarHBondContact OD1-NE 2.65Å; D252-R255 IonicContact OD1-NH2 2.75Å; D252-R255 PolarHBondContact OD1-NH2 2.78Å; R255-F257 VanDerWaalsContact C-N 3.27Å; R255-F257 PolarHBondContact O-N 2.95Å; R255-I258 CarbonylContact O-C 3.6Å; R255-I258 WeakPolarHBondContact O-CA 3.48Å; R255-I258 WeakPolarHBondContact O-CB 3.42Å; R255-I258 PolarHBondContact O-N 3.37Å; R255-D259 VanDerWaalsContact O-CG 3.23Å; R255-D259 PolarHBondContact O-N 2.62Å |
| 256 | N | 96.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 59.2 Ų | 59.2 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.3 | -34.7 | -177.8 | -179.3 | -139.1 | 0 | 0 | 0 | 112.7 | D252 D259 S260 H278 | D252-N256 WeakPolarHBondContact O-CB 3.4Å; D252-N256 PolarHBondContact O-N 3.37Å; N256-D259 PolarHBondContact O-N 2.95Å; N256-S260 WeakPolarHBondContact O-CB 3.48Å; N256-S260 PolarHBondContact O-N 3.16Å; N256-S260 PolarHBondContact O-OG 2.99Å; N256-H278 PolarHBondContact OD1-NE2 3.34Å |
| 257 | F | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 171.8 | -177.2 | -89.4 | 0 | 0 | 0 | 112.1 | T132 L136 L211 Y253 F254 R255 S260 C261 M275 H278 F280 L281 | T132-F257 HydrophobicContact CG2-CE1 3.49Å; T132-F257 VanDerWaalsContact CG2-CE1 3.49Å; T132-F257 HydrophobicContact CG2-CE2 4.47Å; T132-F257 HydrophobicContact CG2-CZ 3.46Å; T132-F257 VanDerWaalsContact CG2-CZ 3.46Å; L136-F257 HydrophobicContact CD2-CE2 4.45Å; L136-F257 HydrophobicContact CD2-CZ 4.43Å; L211-F257 HydrophobicContact CD2-CZ 4.35Å; Y253-F257 PolarHBondContact O-N 2.99Å; Y253-F257 VanDerWaalsContact O-N 3.07Å; F254-F257 PolarHBondContact O-N 3.21Å; R255-F257 VanDerWaalsContact C-N 3.27Å; R255-F257 PolarHBondContact O-N 2.95Å; F257-S260 PolarHBondContact O-N 2.82Å; F257-C261 WeakPolarHBondContact O-CB 3.39Å; F257-C261 PolarHBondContact O-N 3.46Å; F257-M275 HydrophobicContact CD1-CE 4.43Å; F257-M275 HydrophobicContact CD2-CE 3.6Å; F257-M275 HydrophobicContact CE1-CE 4.39Å; F257-M275 HydrophobicContact CE2-CB 4.39Å; F257-M275 HydrophobicContact CE2-CE 3.57Å; F257-M275 HydrophobicContact CG-CE 4.05Å; F257-M275 HydrophobicContact CZ-CE 3.98Å; F257-M275 WeakPolarHBondContact O-CE 3.39Å; F257-H278 VanDerWaalsContact CA-CE1 3.46Å; F257-H278 WeakPolarHBondContact CA-CE1 3.48Å; F257-H278 HydrophobicContact CD2-CB 3.89Å; F257-H278 AromaticContact CD2-CG 3.72Å; F257-H278 AromaticContact CD2-ND1 3.59Å; F257-H278 HydrophobicContact CE2-CB 4.3Å; F257-H278 PolarHBondContact N-CE1 2.67Å; F257-H278 VanDerWaalsContact N-CE1 3.32Å; F257-F280 HydrophobicContact CB-CB 3.87Å; F257-F280 HydrophobicContact CB-CD1 3.82Å; F257-F280 HydrophobicContact CB-CG 4.01Å; F257-F280 AromaticContact CD1-CD1 3.88Å; F257-F280 HydrophobicContact CD1-CD1 3.88Å; F257-F280 HydrophobicContact CD1-CE1 4.2Å; F257-F280 HydrophobicContact CD2-CB 4.17Å; F257-F280 AromaticContact CD2-CD1 3.77Å; F257-F280 HydrophobicContact CD2-CD1 3.77Å; F257-F280 HydrophobicContact CD2-CG 4.43Å; F257-F280 HydrophobicContact CE1-CD1 4.43Å; F257-F280 HydrophobicContact CE2-CD1 4.3Å; F257-F280 HydrophobicContact CG-CB 4.23Å; F257-F280 AromaticContact CG-CD1 3.53Å; F257-F280 HydrophobicContact CG-CD1 3.53Å; F257-F280 HydrophobicContact CG-CE1 4.3Å; F257-F280 HydrophobicContact CG-CG 4.2Å; F257-L281 HydrophobicContact CD2-CG 4.37Å; F257-L281 HydrophobicContact CE2-CD1 3.7Å; F257-L281 HydrophobicContact CE2-CD2 4.3Å; F257-L281 HydrophobicContact CE2-CG 3.89Å; F257-L281 HydrophobicContact CZ-CD1 4.19Å |
| 258 | I | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66 | -43.5 | 176.9 | -72.6 | 171.5 | 0 | 0 | 0 | 110.7 | C215 I216 L245 F254 R255 S260 C261 L262 | C215-I258 HydrophobicContact CB-CD1 3.8Å; C215-I258 HydrophobicContact CB-CG1 3.75Å; I216-I258 HydrophobicContact CD1-CG2 4.06Å; I216-I258 HydrophobicContact CG1-CD1 4.09Å; I216-I258 HydrophobicContact CG1-CG2 4.08Å; L245-I258 HydrophobicContact CD1-CD1 3.6Å; L245-I258 HydrophobicContact CD2-CD1 3.93Å; L245-I258 HydrophobicContact CG-CD1 3.66Å; F254-I258 HydrophobicContact CD2-CD1 4.1Å; F254-I258 HydrophobicContact CD2-CG1 4.39Å; F254-I258 HydrophobicContact CE1-CD1 4.36Å; F254-I258 HydrophobicContact CE2-CD1 3.6Å; F254-I258 HydrophobicContact CE2-CG1 4.07Å; F254-I258 HydrophobicContact CZ-CD1 3.73Å; F254-I258 PolarHBondContact O-N 2.84Å; F254-I258 VanDerWaalsContact O-N 3.16Å; R255-I258 CarbonylContact O-C 3.6Å; R255-I258 WeakPolarHBondContact O-CA 3.48Å; R255-I258 WeakPolarHBondContact O-CB 3.42Å; R255-I258 PolarHBondContact O-N 3.37Å; I258-S260 VanDerWaalsContact C-N 3.31Å; I258-S260 PolarHBondContact O-N 3.49Å; I258-C261 CarbonylContact O-C 3.53Å; I258-C261 WeakPolarHBondContact O-CB 3.09Å; I258-C261 PolarHBondContact O-N 3.04Å; I258-C261 VanDerWaalsContact O-N 3.15Å; I258-L262 HydrophobicContact CG2-CD1 3.62Å; I258-L262 HydrophobicContact CG2-CG 4.24Å; I258-L262 WeakPolarHBondContact O-CB 3.43Å; I258-L262 WeakPolarHBondContact O-CG 3.35Å; I258-L262 PolarHBondContact O-N 3.09Å |
| 259 | D | 96.9 | Very high | 95.3 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 177.6 | -60 | -35.9 | 0 | 0 | 0 | 111.4 | R255 N256 L262 Q263 | R255-D259 VanDerWaalsContact O-CG 3.23Å; R255-D259 PolarHBondContact O-N 2.62Å; N256-D259 PolarHBondContact O-N 2.95Å; D259-L262 PolarHBondContact O-N 2.71Å; D259-Q263 PolarHBondContact O-N 2.71Å; D259-Q263 PolarHBondContact O-NE2 2.65Å |
| 260 | S | 97.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 51.1 Ų | 51.1 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 172.4 | -73.3 | 0 | 0 | 0 | 0 | 112.7 | N256 F257 I258 L262 P270 | N256-S260 WeakPolarHBondContact O-CB 3.48Å; N256-S260 PolarHBondContact O-N 3.16Å; N256-S260 PolarHBondContact O-OG 2.99Å; F257-S260 PolarHBondContact O-N 2.82Å; I258-S260 VanDerWaalsContact C-N 3.31Å; I258-S260 PolarHBondContact O-N 3.49Å; S260-L262 VanDerWaalsContact C-N 3.32Å; S260-L262 PolarHBondContact O-N 2.88Å; S260-P270 WeakPolarHBondContact O-CD 3.31Å |
| 261 | C | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 172.7 | -89.1 | 0 | 0 | 0 | 0 | 112.8 | I208 W209 F257 I258 R269 M275 | I208-C261 HydrophobicContact CG2-CB 4.44Å; I208-C261 WeakPolarHBondContact O-CB 3.45Å; I208-C261 PolarHBondContact O-SG 3.32Å; W209-C261 WeakPolarHBondContact CA-O 3.3Å; F257-C261 WeakPolarHBondContact O-CB 3.39Å; F257-C261 PolarHBondContact O-N 3.46Å; I258-C261 CarbonylContact O-C 3.53Å; I258-C261 WeakPolarHBondContact O-CB 3.09Å; I258-C261 PolarHBondContact O-N 3.04Å; I258-C261 VanDerWaalsContact O-N 3.15Å; C261-R269 WeakPolarHBondContact O-CD 3.13Å; C261-R269 PolarHBondContact O-NE 3.14Å; C261-M275 HydrophobicContact CB-CE 4.49Å; C261-M275 VanDerWaalsContact SG-CE 3.57Å |
| 262 | L | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 26.3 | -171.1 | -59.5 | -179.1 | 0 | 0 | 0 | 113.5 | W209 I213 I216 S242 P243 I258 D259 S260 K264 | W209-L262 HydrophobicContact CD2-CD2 3.56Å; W209-L262 HydrophobicContact CE3-CB 4.26Å; W209-L262 HydrophobicContact CE3-CD2 3.79Å; W209-L262 HydrophobicContact CG-CD2 3.93Å; W209-L262 HydrophobicContact CH2-CD2 4.4Å; W209-L262 HydrophobicContact CZ2-CD2 4.21Å; W209-L262 HydrophobicContact CZ3-CB 4.11Å; W209-L262 HydrophobicContact CZ3-CD2 4.2Å; W209-L262 VanDerWaalsContact CZ3-O 3.28Å; W209-L262 WeakPolarHBondContact CZ3-O 3.38Å; W209-L262 WeakPolarHBondContact O-CD2 3.46Å; I213-L262 HydrophobicContact CD1-CD1 4.07Å; I213-L262 HydrophobicContact CD1-CD2 3.72Å; I213-L262 HydrophobicContact CG1-CD2 3.94Å; I216-L262 HydrophobicContact CD1-CD1 3.73Å; S242-L262 WeakPolarHBondContact CB-O 3.27Å; S242-L262 PolarHBondContact OG-O 3.02Å; S242-L262 VanDerWaalsContact OG-O 3.1Å; P243-L262 HydrophobicContact CG-CD1 4.1Å; P243-L262 WeakPolarHBondContact O-CD1 3.5Å; I258-L262 HydrophobicContact CG2-CD1 3.62Å; I258-L262 HydrophobicContact CG2-CG 4.24Å; I258-L262 WeakPolarHBondContact O-CB 3.43Å; I258-L262 WeakPolarHBondContact O-CG 3.35Å; I258-L262 PolarHBondContact O-N 3.09Å; D259-L262 PolarHBondContact O-N 2.71Å; S260-L262 VanDerWaalsContact C-N 3.32Å; S260-L262 PolarHBondContact O-N 2.88Å; L262-K264 PolarHBondContact O-N 3.39Å |
| 263 | Q | 97.2 | Very high | 95.8 | Very high | 72 Ų | 72 | 50.8 Ų | 50.8 | 34% | 0.336 | 25% | 0.25 | S | S | . | . | trans | -63 | 119.1 | 164.2 | -66.7 | -55.5 | -46.3 | 0 | 0 | 110 | D259 N265 D268 R269 | D259-Q263 PolarHBondContact O-N 2.71Å; D259-Q263 PolarHBondContact O-NE2 2.65Å; Q263-N265 VanDerWaalsContact C-N 3.34Å; Q263-N265 PolarHBondContact O-N 3.26Å; Q263-D268 HydrophobicContact CB-CB 4.32Å; Q263-D268 HydrophobicContact CG-CB 4.48Å; Q263-R269 HydrophobicContact CB-CB 3.94Å; Q263-R269 HydrophobicContact CB-CG 4.27Å; Q263-R269 VanDerWaalsContact O-CZ 3.32Å; Q263-R269 PolarHBondContact O-NE 3.19Å; Q263-R269 PolarHBondContact O-NH2 2.97Å | ||
| 264 | K | 90.3 | Very high | 95.9 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -69.6 | -29.2 | -176.8 | -75.5 | -161.6 | 57.8 | 159.6 | 0 | 113.6 | P191 W209 I237 A238 N240 L262 P266 | P191-K264 HydrophobicContact CG-CG 4.19Å; W209-K264 HydrophobicContact CH2-CG 3.91Å; W209-K264 HydrophobicContact CZ3-CG 3.76Å; I237-K264 PolarHBondContact O-NZ 3.35Å; A238-K264 VanDerWaalsContact C-NZ 3.3Å; A238-K264 PolarHBondContact O-NZ 2.84Å; N240-K264 VanDerWaalsContact O-CD 3.29Å; N240-K264 WeakPolarHBondContact O-CD 3.21Å; N240-K264 PolarHBondContact O-NZ 3.45Å; L262-K264 PolarHBondContact O-N 3.39Å; K264-P266 WeakPolarHBondContact O-CD 3.33Å |
| 265 | N | 86.4 | Confident | 95.9 | Very high | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -82.3 | 121.2 | 170.9 | 176.9 | 11.8 | 0 | 0 | 0 | 109.3 | Q263 Q267 D268 R269 | Q263-N265 VanDerWaalsContact C-N 3.34Å; Q263-N265 PolarHBondContact O-N 3.26Å; N265-Q267 PolarHBondContact O-N 3.05Å; N265-Q267 VanDerWaalsContact O-N 3.17Å; N265-Q267 PolarHBondContact OD1-N 3.46Å; N265-Q267 VanDerWaalsContact OD1-N 3.08Å; N265-D268 HydrophobicContact CB-CB 4.29Å; N265-D268 VanDerWaalsContact CB-OD2 3.24Å; N265-D268 WeakPolarHBondContact CB-OD2 3.36Å; N265-D268 PolarHBondContact ND2-OD1 3.4Å; N265-D268 PolarHBondContact ND2-OD2 3.36Å; N265-D268 PolarHBondContact O-N 2.87Å; N265-D268 VanDerWaalsContact O-N 3.14Å; N265-R269 PolarHBondContact O-N 3.33Å |
| 266 | P | 92.1 | Very high | 95.9 | Very high | 33 Ų | 33 | 47.7 Ų | 47.7 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.4 | 178 | -23.7 | 35.3 | 0 | 0 | 0 | 114.1 | E192 K205 K264 | E192-P266 HydrophobicContact CB-CG 3.88Å; E192-P266 HydrophobicContact CG-CG 3.76Å; K205-P266 WeakPolarHBondContact CD-O 3.17Å; K205-P266 WeakPolarHBondContact CE-O 3.36Å; K205-P266 PolarHBondContact NZ-O 2.92Å; K264-P266 WeakPolarHBondContact O-CD 3.33Å |
| 267 | Q | 91.8 | Very high | 95.8 | Very high | 154 Ų | 154 | 46.3 Ų | 46.3 | 72% | 0.72 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -38 | 175.1 | -60.4 | -58 | -30.7 | 0 | 0 | 112.1 | N265 | N265-Q267 PolarHBondContact O-N 3.05Å; N265-Q267 VanDerWaalsContact O-N 3.17Å; N265-Q267 PolarHBondContact OD1-N 3.46Å; N265-Q267 VanDerWaalsContact OD1-N 3.08Å |
| 268 | D | 94.6 | Very high | 95.8 | Very high | 103 Ų | 103 | 47.6 Ų | 47.6 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -17.3 | -179.6 | -54.2 | -33.2 | 0 | 0 | 0 | 112.6 | Q263 N265 | Q263-D268 HydrophobicContact CB-CB 4.32Å; Q263-D268 HydrophobicContact CG-CB 4.48Å; N265-D268 HydrophobicContact CB-CB 4.29Å; N265-D268 VanDerWaalsContact CB-OD2 3.24Å; N265-D268 WeakPolarHBondContact CB-OD2 3.36Å; N265-D268 PolarHBondContact ND2-OD1 3.4Å; N265-D268 PolarHBondContact ND2-OD2 3.36Å; N265-D268 PolarHBondContact O-N 2.87Å; N265-D268 VanDerWaalsContact O-N 3.14Å |
| 269 | R | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -75.7 | 126.7 | 174.4 | -157.3 | -176.1 | -54.9 | 145 | 11.4 | 110.3 | E192 K205 I208 C261 Q263 N265 | E192-R269 IonicContact OE1-CZ 2.82Å; E192-R269 IonicContact OE1-NH1 2.78Å; E192-R269 PolarHBondContact OE1-NH1 3.39Å; E192-R269 IonicContact OE1-NH2 3.44Å; E192-R269 PolarHBondContact OE1-NH2 3.41Å; E192-R269 IonicContact OE2-CZ 3.58Å; E192-R269 IonicContact OE2-NH1 2.65Å; E192-R269 IonicContact OE2-NH2 2.71Å; E192-R269 PolarHBondContact OE2-NH2 3.17Å; K205-R269 VanDerWaalsContact C-NH1 3.34Å; K205-R269 HydrophobicContact CD-CB 4.47Å; K205-R269 WeakPolarHBondContact CD-O 3.41Å; K205-R269 WeakPolarHBondContact CE-O 3.5Å; K205-R269 PolarHBondContact NZ-O 3.01Å; K205-R269 WeakPolarHBondContact O-CD 3.34Å; K205-R269 PolarHBondContact O-NH1 2.97Å; I208-R269 HydrophobicContact CG2-CG 4.32Å; C261-R269 WeakPolarHBondContact O-CD 3.13Å; C261-R269 PolarHBondContact O-NE 3.14Å; Q263-R269 HydrophobicContact CB-CB 3.94Å; Q263-R269 HydrophobicContact CB-CG 4.27Å; Q263-R269 VanDerWaalsContact O-CZ 3.32Å; Q263-R269 PolarHBondContact O-NE 3.19Å; Q263-R269 PolarHBondContact O-NH2 2.97Å; N265-R269 PolarHBondContact O-N 3.33Å |
| 270 | P | 97.4 | Very high | 95.7 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 163.5 | 177.7 | -17.9 | 31.9 | 0 | 0 | 0 | 112.7 | S260 D274 M275 | S260-P270 WeakPolarHBondContact O-CD 3.31Å; P270-D274 HydrophobicContact CB-CB 3.72Å; P270-M275 HydrophobicContact CB-CG 4Å; P270-M275 HydrophobicContact CB-SD 3.92Å; P270-M275 HydrophobicContact CG-SD 3.84Å |
| 271 | H | 97 | Very high | 95.6 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 42% | 0.417 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 171.7 | 173.2 | -51.5 | 87.7 | 0 | 0 | 0 | 111.3 | K205 D273 D274 M275 | K205-H271 WeakPolarHBondContact CE-CD2 3.32Å; K205-H271 WeakPolarHBondContact CE-NE2 3.35Å; H271-D273 PolarHBondContact O-N 2.8Å; H271-D274 WeakPolarHBondContact CB-OD2 3.36Å; H271-D274 IonicContact CG-OD2 3.82Å; H271-D274 PolarHBondContact N-OD2 3.11Å; H271-D274 IonicContact ND1-OD2 2.69Å; H271-D274 PolarHBondContact ND1-OD2 3.24Å; H271-D274 PolarHBondContact O-N 2.78Å; H271-M275 WeakPolarHBondContact O-CG 3.46Å; H271-M275 PolarHBondContact O-N 3.49Å |
| 272 | S | 97.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -49.7 | -45.6 | 172.8 | 29.5 | 0 | 0 | 0 | 0 | 113.4 | H143 M275 L276 | H143-S272 WeakPolarHBondContact ND1-CB 3.44Å; H143-S272 PolarHBondContact ND1-OG 3.36Å; S272-M275 PolarHBondContact O-N 2.74Å; S272-L276 PolarHBondContact O-N 3.39Å; S272-L276 VanDerWaalsContact O-N 3.09Å |
| 273 | D | 95.3 | Very high | 95 | Very high | 88 Ų | 88 | 55.9 Ų | 55.9 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -77.4 | -35.9 | -170.4 | -53.2 | -100.2 | 0 | 0 | 0 | 111 | H271 L276 | H271-D273 PolarHBondContact O-N 2.8Å; D273-L276 PolarHBondContact O-N 2.77Å |
| 274 | D | 96.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 61.4 Ų | 61.4 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 168.4 | -55.7 | -45.3 | 0 | 0 | 0 | 110.6 | P270 H271 L276 G277 | P270-D274 HydrophobicContact CB-CB 3.72Å; H271-D274 WeakPolarHBondContact CB-OD2 3.36Å; H271-D274 IonicContact CG-OD2 3.82Å; H271-D274 PolarHBondContact N-OD2 3.11Å; H271-D274 IonicContact ND1-OD2 2.69Å; H271-D274 PolarHBondContact ND1-OD2 3.24Å; H271-D274 PolarHBondContact O-N 2.78Å; D274-L276 VanDerWaalsContact C-N 3.31Å; D274-L276 PolarHBondContact O-N 3.45Å; D274-G277 PolarHBondContact O-N 3.23Å; D274-G277 VanDerWaalsContact O-N 3.13Å |
| 275 | M | 97.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.7 | -23.5 | -177.8 | -68.8 | -60.3 | -82.5 | 0 | 0 | 113.5 | L136 I208 F257 C261 P270 H271 S272 G277 H278 | L136-M275 HydrophobicContact CD1-CB 4.32Å; L136-M275 HydrophobicContact CD2-CB 3.61Å; I208-M275 HydrophobicContact CG2-CG 4.22Å; F257-M275 HydrophobicContact CD1-CE 4.43Å; F257-M275 HydrophobicContact CD2-CE 3.6Å; F257-M275 HydrophobicContact CE1-CE 4.39Å; F257-M275 HydrophobicContact CE2-CB 4.39Å; F257-M275 HydrophobicContact CE2-CE 3.57Å; F257-M275 HydrophobicContact CG-CE 4.05Å; F257-M275 HydrophobicContact CZ-CE 3.98Å; F257-M275 WeakPolarHBondContact O-CE 3.39Å; C261-M275 HydrophobicContact CB-CE 4.49Å; C261-M275 VanDerWaalsContact SG-CE 3.57Å; P270-M275 HydrophobicContact CB-CG 4Å; P270-M275 HydrophobicContact CB-SD 3.92Å; P270-M275 HydrophobicContact CG-SD 3.84Å; H271-M275 WeakPolarHBondContact O-CG 3.46Å; H271-M275 PolarHBondContact O-N 3.49Å; S272-M275 PolarHBondContact O-N 2.74Å; M275-G277 PolarHBondContact O-N 3.06Å; M275-H278 WeakPolarHBondContact O-CB 3.29Å; M275-H278 PolarHBondContact O-N 2.81Å; M275-H278 VanDerWaalsContact O-N 3.11Å |
| 276 | L | 96.6 | Very high | 95.2 | Very high | 36 Ų | 36 | 62.5 Ų | 62.5 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.9 | -30.8 | 171.7 | -76.2 | 171.3 | 0 | 0 | 0 | 111.7 | L136 Q137 A140 S272 D273 D274 H278 Q282 | L136-L276 HydrophobicContact CB-CD2 4.14Å; L136-L276 HydrophobicContact CD2-CD2 3.87Å; L136-L276 HydrophobicContact CD2-CG 3.98Å; L136-L276 HydrophobicContact CG-CD2 3.83Å; L136-L276 HydrophobicContact CG-CG 4Å; Q137-L276 HydrophobicContact CG-CD2 3.79Å; A140-L276 HydrophobicContact CB-CD1 3.81Å; S272-L276 PolarHBondContact O-N 3.39Å; S272-L276 VanDerWaalsContact O-N 3.09Å; D273-L276 PolarHBondContact O-N 2.77Å; D274-L276 VanDerWaalsContact C-N 3.31Å; D274-L276 PolarHBondContact O-N 3.45Å; L276-H278 PolarHBondContact O-N 2.91Å; L276-Q282 PolarHBondContact O-NE2 3.25Å |
| 277 | G | 95.6 | Very high | 95 | Very high | 53 Ų | 53 | 69.1 Ų | 69.1 | 55% | 0.546 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -5.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D274 M275 | D274-G277 PolarHBondContact O-N 3.23Å; D274-G277 VanDerWaalsContact O-N 3.13Å; M275-G277 PolarHBondContact O-N 3.06Å |
| 278 | H | 97.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 12% | 0.12 | 35% | 0.347 | C | S | . | . | trans | -68 | 137 | -172.4 | -164.4 | -87.2 | 0 | 0 | 0 | 112.6 | Y253 N256 F257 M275 L276 F280 L281 Q282 | Y253-H278 PolarHBondContact O-CE1 2.93Å; N256-H278 PolarHBondContact OD1-NE2 3.34Å; F257-H278 VanDerWaalsContact CA-CE1 3.46Å; F257-H278 WeakPolarHBondContact CA-CE1 3.48Å; F257-H278 HydrophobicContact CD2-CB 3.89Å; F257-H278 AromaticContact CD2-CG 3.72Å; F257-H278 AromaticContact CD2-ND1 3.59Å; F257-H278 HydrophobicContact CE2-CB 4.3Å; F257-H278 PolarHBondContact N-CE1 2.67Å; F257-H278 VanDerWaalsContact N-CE1 3.32Å; M275-H278 WeakPolarHBondContact O-CB 3.29Å; M275-H278 PolarHBondContact O-N 2.81Å; M275-H278 VanDerWaalsContact O-N 3.11Å; L276-H278 PolarHBondContact O-N 2.91Å; H278-F280 WeakPolarHBondContact ND1-CB 3.41Å; H278-F280 PolarHBondContact ND1-N 3.03Å; H278-F280 PolarHBondContact O-N 3.47Å; H278-L281 PolarHBondContact O-N 3.42Å; H278-Q282 PolarHBondContact O-N 3.02Å | ||
| 279 | A | 96.1 | Very high | 95.3 | Very high | 50 Ų | 50 | 59.8 Ų | 59.8 | 41% | 0.413 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.6 | -28.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y253 L281 R283 | Y253-A279 HydrophobicContact CD1-CB 3.71Å; Y253-A279 HydrophobicContact CE1-CB 4.01Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.23Å; A279-R283 PolarHBondContact O-N 3.31Å |
| 280 | F | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.7 | -39.9 | 171.8 | 176.4 | -121.9 | 0 | 0 | 0 | 113.8 | E125 I128 A129 T132 F254 F257 H278 | E125-F280 HydrophobicContact CG-CE2 3.9Å; I128-F280 HydrophobicContact CG2-CZ 4.28Å; A129-F280 HydrophobicContact CB-CD2 4.45Å; A129-F280 HydrophobicContact CB-CE1 4.12Å; A129-F280 HydrophobicContact CB-CE2 3.8Å; A129-F280 HydrophobicContact CB-CZ 3.6Å; T132-F280 HydrophobicContact CG2-CE1 4.39Å; F254-F280 HydrophobicContact CB-CD2 3.7Å; F254-F280 HydrophobicContact CB-CE2 3.57Å; F254-F280 HydrophobicContact CB-CZ 4.31Å; F254-F280 HydrophobicContact CD2-CD1 4.2Å; F254-F280 AromaticContact CD2-CD2 3.98Å; F254-F280 HydrophobicContact CD2-CD2 3.98Å; F254-F280 AromaticContact CD2-CE1 3.63Å; F254-F280 HydrophobicContact CD2-CE1 3.63Å; F254-F280 AromaticContact CD2-CE2 3.37Å; F254-F280 HydrophobicContact CD2-CE2 3.37Å; F254-F280 HydrophobicContact CD2-CG 4.37Å; F254-F280 AromaticContact CD2-CZ 3.18Å; F254-F280 HydrophobicContact CD2-CZ 3.18Å; F254-F280 AromaticContact CE2-CE1 3.96Å; F254-F280 HydrophobicContact CE2-CE1 3.96Å; F254-F280 HydrophobicContact CE2-CE2 4.2Å; F254-F280 AromaticContact CE2-CZ 3.58Å; F254-F280 HydrophobicContact CE2-CZ 3.58Å; F254-F280 HydrophobicContact CG-CD2 4.16Å; F254-F280 AromaticContact CG-CE2 3.58Å; F254-F280 HydrophobicContact CG-CE2 3.58Å; F254-F280 AromaticContact CG-CZ 3.85Å; F254-F280 HydrophobicContact CG-CZ 3.85Å; F257-F280 HydrophobicContact CB-CB 3.87Å; F257-F280 HydrophobicContact CB-CD1 3.82Å; F257-F280 HydrophobicContact CB-CG 4.01Å; F257-F280 AromaticContact CD1-CD1 3.88Å; F257-F280 HydrophobicContact CD1-CD1 3.88Å; F257-F280 HydrophobicContact CD1-CE1 4.2Å; F257-F280 HydrophobicContact CD2-CB 4.17Å; F257-F280 AromaticContact CD2-CD1 3.77Å; F257-F280 HydrophobicContact CD2-CD1 3.77Å; F257-F280 HydrophobicContact CD2-CG 4.43Å; F257-F280 HydrophobicContact CE1-CD1 4.43Å; F257-F280 HydrophobicContact CE2-CD1 4.3Å; F257-F280 HydrophobicContact CG-CB 4.23Å; F257-F280 AromaticContact CG-CD1 3.53Å; F257-F280 HydrophobicContact CG-CD1 3.53Å; F257-F280 HydrophobicContact CG-CE1 4.3Å; F257-F280 HydrophobicContact CG-CG 4.2Å; H278-F280 WeakPolarHBondContact ND1-CB 3.41Å; H278-F280 PolarHBondContact ND1-N 3.03Å; H278-F280 PolarHBondContact O-N 3.47Å |
| 281 | L | 95.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -91.4 | -26.5 | -177.5 | -55.5 | -174.9 | 0 | 0 | 0 | 112.6 | T132 H133 L136 F257 H278 A279 R283 | T132-L281 HydrophobicContact CG2-CD2 4.01Å; H133-L281 HydrophobicContact CB-CD1 4.45Å; H133-L281 HydrophobicContact CB-CD2 4.16Å; L136-L281 HydrophobicContact CD2-CD1 3.52Å; F257-L281 HydrophobicContact CD2-CG 4.37Å; F257-L281 HydrophobicContact CE2-CD1 3.7Å; F257-L281 HydrophobicContact CE2-CD2 4.3Å; F257-L281 HydrophobicContact CE2-CG 3.89Å; F257-L281 HydrophobicContact CZ-CD1 4.19Å; H278-L281 PolarHBondContact O-N 3.42Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.23Å; L281-R283 VanDerWaalsContact C-N 3.32Å |
| 282 | Q | 93.4 | Very high | 95.2 | Very high | 123 Ų | 123 | 63.5 Ų | 63.5 | 58% | 0.575 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -80.2 | -7.6 | 176.8 | -63.5 | -63.8 | -36.8 | 0 | 0 | 113.6 | L276 H278 | L276-Q282 PolarHBondContact O-NE2 3.25Å; H278-Q282 PolarHBondContact O-N 3.02Å |
| 283 | R | 90.9 | Very high | 95.2 | Very high | 83 Ų | 83 | 63.4 Ų | 63.4 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -71 | 130.9 | 177.8 | -162.9 | 175.3 | 75.1 | -154 | 2.5 | 110.9 | E125 T251 A279 L281 | E125-R283 IonicContact OE1-CZ 2.7Å; E125-R283 IonicContact OE1-NH1 3.13Å; E125-R283 PolarHBondContact OE1-NH1 2.94Å; E125-R283 IonicContact OE1-NH2 2.62Å; E125-R283 PolarHBondContact OE1-NH2 3.14Å; T251-R283 PolarHBondContact OG1-NH1 2.91Å; A279-R283 PolarHBondContact O-N 3.31Å; L281-R283 VanDerWaalsContact C-N 3.32Å |
| 284 | E | 90.6 | Very high | 95.2 | Very high | 188 Ų | 188 | 59.4 Ų | 59.4 | 88% | 0.879 | 32% | 0.321 | S | S | * | . | trans | -55.8 | 140 | 178 | -170 | 175.1 | -164.3 | 0 | 0 | 111.8 | ||||
| 285 | R | 93.6 | Very high | 95.1 | Very high | 69 Ų | 69 | 59.2 Ų | 59.2 | 26% | 0.26 | 32% | 0.317 | S | S | . | . | trans | -155.6 | 150.9 | -176.1 | 66.7 | -163.7 | -174.9 | -162.7 | 9.2 | 109.3 | A129 H133 | A129-R285 VanDerWaalsContact C-NH1 3.27Å; A129-R285 PolarHBondContact O-NH1 2.93Å; H133-R285 PolarHBondContact ND1-NH2 2.91Å | ||
| 286 | P | 92.8 | Very high | 95 | Very high | 80 Ų | 80 | 63.2 Ų | 63.2 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | trans | -62.2 | 137.8 | 175.7 | -20 | 30.7 | 0 | 0 | 0 | 112.2 | S288 V289 | P286-S288 PolarHBondContact O-N 3.23Å; P286-V289 HydrophobicContact CB-CG2 4.13Å; P286-V289 HydrophobicContact CG-CG2 4.21Å; P286-V289 WeakPolarHBondContact O-CB 3.48Å; P286-V289 VanDerWaalsContact O-CG2 3.23Å; P286-V289 WeakPolarHBondContact O-CG2 3.18Å; P286-V289 PolarHBondContact O-N 3.1Å | ||
| 287 | D | 89.4 | Confident | 94.9 | Very high | 172 Ų | 172 | 61.5 Ų | 61.5 | 92% | 0.92 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.9 | 174.1 | -64.9 | -47.7 | 0 | 0 | 0 | 112.4 | V289 | D287-V289 VanDerWaalsContact C-N 3.3Å; D287-V289 PolarHBondContact O-N 3Å |
| 288 | S | 94.9 | Very high | 94.8 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -13.8 | 178.6 | 65.9 | 0 | 0 | 0 | 0 | 114.5 | P286 L290 M291 D292 | P286-S288 PolarHBondContact O-N 3.23Å; S288-L290 VanDerWaalsContact C-N 3.27Å; S288-L290 PolarHBondContact O-N 3.19Å; S288-M291 CarbonylContact O-C 3.36Å; S288-M291 WeakPolarHBondContact O-CA 3.45Å; S288-M291 WeakPolarHBondContact O-CB 3.36Å; S288-M291 PolarHBondContact O-N 2.98Å; S288-D292 WeakPolarHBondContact CB-OD2 3.42Å; S288-D292 VanDerWaalsContact O-CG 3.3Å; S288-D292 PolarHBondContact O-N 3.23Å; S288-D292 PolarHBondContact OG-OD2 3.41Å |
| 289 | V | 97.2 | Very high | 94.6 | Very high | 13 Ų | 13 | 61.4 Ų | 61.4 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -48.1 | -42.8 | -169 | 161.2 | 0 | 0 | 0 | 0 | 114.1 | V126 E127 A130 P286 D287 L293 | V126-V289 HydrophobicContact CB-CG2 4.47Å; V126-V289 HydrophobicContact CG2-CG1 4.41Å; V126-V289 HydrophobicContact CG2-CG2 4.31Å; E127-V289 HydrophobicContact CB-CG1 4.45Å; E127-V289 HydrophobicContact CG-CG1 4.02Å; A130-V289 HydrophobicContact CB-CG1 4.03Å; P286-V289 HydrophobicContact CB-CG2 4.13Å; P286-V289 HydrophobicContact CG-CG2 4.21Å; P286-V289 WeakPolarHBondContact O-CB 3.48Å; P286-V289 VanDerWaalsContact O-CG2 3.23Å; P286-V289 WeakPolarHBondContact O-CG2 3.18Å; P286-V289 PolarHBondContact O-N 3.1Å; D287-V289 VanDerWaalsContact C-N 3.3Å; D287-V289 PolarHBondContact O-N 3Å; V289-L293 VanDerWaalsContact O-CB 3.26Å; V289-L293 WeakPolarHBondContact O-CB 3.43Å; V289-L293 PolarHBondContact O-N 3.42Å; V289-L293 VanDerWaalsContact O-N 3.08Å |
| 290 | L | 97.1 | Very high | 94.3 | Very high | 22 Ų | 22 | 60.3 Ų | 60.3 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -79.5 | -29.5 | 179.6 | -63.8 | -179.2 | 0 | 0 | 0 | 113.1 | A130 I131 L159 G163 V165 S288 L293 I294 | A130-L290 HydrophobicContact CB-CD1 3.99Å; A130-L290 HydrophobicContact CB-CD2 3.68Å; A130-L290 HydrophobicContact CB-CG 3.75Å; I131-L290 HydrophobicContact CG1-CD2 3.86Å; L159-L290 HydrophobicContact CD2-CD2 4.25Å; G163-L290 WeakPolarHBondContact O-CD1 3.34Å; V165-L290 HydrophobicContact CG2-CD1 3.59Å; S288-L290 VanDerWaalsContact C-N 3.27Å; S288-L290 PolarHBondContact O-N 3.19Å; L290-L293 HydrophobicContact CD2-CD2 4Å; L290-I294 WeakPolarHBondContact O-CB 3.36Å; L290-I294 WeakPolarHBondContact O-CD1 3.18Å; L290-I294 WeakPolarHBondContact O-CG1 3.49Å; L290-I294 PolarHBondContact O-N 2.92Å |
| 291 | M | 96.2 | Very high | 94 | Very high | 91 Ų | 91 | 60.2 Ų | 60.2 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.8 | -43.3 | 172.9 | -61.3 | -63.9 | -80.2 | 0 | 0 | 111 | S288 I294 Q295 | S288-M291 CarbonylContact O-C 3.36Å; S288-M291 WeakPolarHBondContact O-CA 3.45Å; S288-M291 WeakPolarHBondContact O-CB 3.36Å; S288-M291 PolarHBondContact O-N 2.98Å; M291-I294 PolarHBondContact O-N 2.97Å; M291-Q295 WeakPolarHBondContact O-CB 3.32Å; M291-Q295 PolarHBondContact O-N 2.81Å |
| 292 | D | 96.6 | Very high | 93.7 | Very high | 88 Ų | 88 | 65.4 Ų | 65.4 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 177 | -60.8 | -31.9 | 0 | 0 | 0 | 110.7 | S288 Q295 R296 | S288-D292 WeakPolarHBondContact CB-OD2 3.42Å; S288-D292 VanDerWaalsContact O-CG 3.3Å; S288-D292 PolarHBondContact O-N 3.23Å; S288-D292 PolarHBondContact OG-OD2 3.41Å; D292-Q295 PolarHBondContact O-N 3.09Å; D292-R296 WeakPolarHBondContact O-CB 3.36Å; D292-R296 PolarHBondContact O-N 2.96Å |
| 293 | L | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 171.2 | 169.9 | 60.9 | 0 | 0 | 0 | 112 | L115 L123 E127 I131 L159 V289 L290 R296 T297 | L115-L293 HydrophobicContact CD1-CD1 4.27Å; L115-L293 HydrophobicContact CD1-CD2 3.79Å; L115-L293 HydrophobicContact CD1-CG 4.1Å; L123-L293 HydrophobicContact CD1-CD2 4.5Å; L123-L293 HydrophobicContact CD2-CD1 4.02Å; E127-L293 HydrophobicContact CB-CD2 4.09Å; E127-L293 HydrophobicContact CG-CB 4.34Å; E127-L293 HydrophobicContact CG-CD2 4.14Å; I131-L293 HydrophobicContact CD1-CD2 4.22Å; L159-L293 HydrophobicContact CD2-CD2 4.42Å; V289-L293 VanDerWaalsContact O-CB 3.26Å; V289-L293 WeakPolarHBondContact O-CB 3.43Å; V289-L293 PolarHBondContact O-N 3.42Å; V289-L293 VanDerWaalsContact O-N 3.08Å; L290-L293 HydrophobicContact CD2-CD2 4Å; L293-R296 VanDerWaalsContact CD1-NH2 3.33Å; L293-T297 WeakPolarHBondContact O-CB 3.49Å; L293-T297 PolarHBondContact O-N 3.34Å; L293-T297 PolarHBondContact O-OG1 3.28Å |
| 294 | I | 95.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -49.3 | 177.2 | -79.7 | 166.3 | 0 | 0 | 0 | 110.9 | L109 L159 T160 L290 M291 T297 K298 | L109-I294 HydrophobicContact CD2-CB 4.26Å; L109-I294 HydrophobicContact CD2-CG1 3.9Å; L109-I294 HydrophobicContact CD2-CG2 3.69Å; L159-I294 HydrophobicContact CB-CD1 4.41Å; L159-I294 HydrophobicContact CD2-CD1 4.35Å; L159-I294 HydrophobicContact CD2-CG1 4.34Å; T160-I294 WeakPolarHBondContact O-CD1 3.36Å; L290-I294 WeakPolarHBondContact O-CB 3.36Å; L290-I294 WeakPolarHBondContact O-CD1 3.18Å; L290-I294 WeakPolarHBondContact O-CG1 3.49Å; L290-I294 PolarHBondContact O-N 2.92Å; M291-I294 PolarHBondContact O-N 2.97Å; I294-T297 WeakPolarHBondContact O-CB 3.39Å; I294-T297 PolarHBondContact O-N 3.13Å; I294-T297 VanDerWaalsContact O-N 3.13Å; I294-K298 HydrophobicContact CG2-CD 4.18Å; I294-K298 WeakPolarHBondContact O-CG 3.32Å; I294-K298 PolarHBondContact O-N 3.41Å |
| 295 | Q | 94.6 | Very high | 92.6 | Very high | 86 Ų | 86 | 60.3 Ų | 60.3 | 40% | 0.402 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -50.7 | 179.9 | -174.5 | 58.1 | 45.5 | 0 | 0 | 110.8 | M291 D292 T297 K298 D299 | M291-Q295 WeakPolarHBondContact O-CB 3.32Å; M291-Q295 PolarHBondContact O-N 2.81Å; D292-Q295 PolarHBondContact O-N 3.09Å; Q295-T297 PolarHBondContact O-N 2.67Å; Q295-T297 VanDerWaalsContact O-N 3.14Å; Q295-K298 WeakPolarHBondContact O-CB 3.18Å; Q295-K298 PolarHBondContact O-N 2.82Å; Q295-D299 PolarHBondContact NE2-OD1 3.01Å; Q295-D299 PolarHBondContact NE2-OD2 3.13Å; Q295-D299 PolarHBondContact O-N 3.4Å |
| 296 | R | 95.3 | Very high | 91.9 | Very high | 87 Ų | 87 | 63.2 Ų | 63.2 | 33% | 0.328 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55.2 | -32.7 | 174 | -175.6 | 174.1 | 66.9 | 76.7 | -8.1 | 112.7 | H119 E127 D292 L293 A300 | H119-R296 PolarHBondContact CE1-NH1 3.05Å; H119-R296 PolarHBondContact ND1-NH1 3.33Å; H119-R296 VanDerWaalsContact ND1-NH1 3.12Å; H119-R296 PolarHBondContact NE2-NH1 3.38Å; E127-R296 VanDerWaalsContact CD-NH2 3.26Å; E127-R296 IonicContact OE1-CZ 2.81Å; E127-R296 IonicContact OE1-NE 3.22Å; E127-R296 IonicContact OE1-NH2 3.28Å; E127-R296 PolarHBondContact OE1-NH2 3.42Å; E127-R296 IonicContact OE2-NH2 3.09Å; E127-R296 PolarHBondContact OE2-NH2 2.84Å; D292-R296 WeakPolarHBondContact O-CB 3.36Å; D292-R296 PolarHBondContact O-N 2.96Å; L293-R296 VanDerWaalsContact CD1-NH2 3.33Å; R296-A300 VanDerWaalsContact O-CB 3.28Å; R296-A300 WeakPolarHBondContact O-CB 3.33Å; R296-A300 PolarHBondContact O-N 3.41Å; R296-A300 VanDerWaalsContact O-N 3.09Å |
| 297 | T | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -74.1 | -46.5 | 175.1 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | L115 V118 H119 L293 I294 Q295 D299 A300 V301 I315 | L115-T297 HydrophobicContact CD2-CG2 3.71Å; V118-T297 HydrophobicContact CB-CG2 4.07Å; V118-T297 HydrophobicContact CG1-CG2 3.89Å; V118-T297 HydrophobicContact CG2-CG2 4.09Å; H119-T297 PolarHBondContact NE2-OG1 2.84Å; L293-T297 WeakPolarHBondContact O-CB 3.49Å; L293-T297 PolarHBondContact O-N 3.34Å; L293-T297 PolarHBondContact O-OG1 3.28Å; I294-T297 WeakPolarHBondContact O-CB 3.39Å; I294-T297 PolarHBondContact O-N 3.13Å; I294-T297 VanDerWaalsContact O-N 3.13Å; Q295-T297 PolarHBondContact O-N 2.67Å; Q295-T297 VanDerWaalsContact O-N 3.14Å; T297-D299 VanDerWaalsContact C-N 3.31Å; T297-D299 PolarHBondContact O-N 3.2Å; T297-A300 PolarHBondContact O-N 2.87Å; T297-V301 WeakPolarHBondContact O-CG2 3.33Å; T297-V301 PolarHBondContact O-N 3.33Å; T297-I315 HydrophobicContact CG2-CG2 4.33Å |
| 298 | K | 93.8 | Very high | 90.1 | Very high | 11 Ų | 11 | 58.1 Ų | 58.1 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 174.8 | -71.6 | 171.7 | 159.5 | -158.2 | 0 | 111.2 | E161 I294 Q295 V301 R302 I315 L316 E319 | E161-K298 IonicContact OE1-NZ 2.87Å; E161-K298 PolarHBondContact OE1-NZ 3.39Å; I294-K298 HydrophobicContact CG2-CD 4.18Å; I294-K298 WeakPolarHBondContact O-CG 3.32Å; I294-K298 PolarHBondContact O-N 3.41Å; Q295-K298 WeakPolarHBondContact O-CB 3.18Å; Q295-K298 PolarHBondContact O-N 2.82Å; K298-V301 PolarHBondContact O-N 3.46Å; K298-R302 WeakPolarHBondContact O-CG 3.36Å; K298-R302 PolarHBondContact O-N 3.04Å; K298-R302 VanDerWaalsContact O-N 3.15Å; K298-I315 HydrophobicContact CG-CG2 4.09Å; K298-L316 HydrophobicContact CB-CD2 3.95Å; K298-L316 HydrophobicContact CG-CD2 4.1Å; K298-E319 VanDerWaalsContact CD-OE1 3.31Å; K298-E319 WeakPolarHBondContact CD-OE1 3.35Å; K298-E319 VanDerWaalsContact CE-OE1 3.29Å; K298-E319 WeakPolarHBondContact CE-OE1 3.44Å; K298-E319 IonicContact NZ-OE1 3.21Å; K298-E319 PolarHBondContact NZ-OE1 3.42Å |
| 299 | D | 92.7 | Very high | 89.3 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.1 | -51.7 | 178.2 | -61 | -24.9 | 0 | 0 | 0 | 110.9 | Q295 T297 V301 R302 E303 | Q295-D299 PolarHBondContact NE2-OD1 3.01Å; Q295-D299 PolarHBondContact NE2-OD2 3.13Å; Q295-D299 PolarHBondContact O-N 3.4Å; T297-D299 VanDerWaalsContact C-N 3.31Å; T297-D299 PolarHBondContact O-N 3.2Å; D299-V301 VanDerWaalsContact C-N 3.28Å; D299-V301 PolarHBondContact O-N 3.34Å; D299-R302 PolarHBondContact O-N 3.07Å; D299-R302 IonicContact OD1-CZ 2.72Å; D299-R302 IonicContact OD1-NH1 2.65Å; D299-R302 PolarHBondContact OD1-NH1 3.17Å; D299-E303 PolarHBondContact O-N 3.45Å |
| 300 | A | 91.3 | Very high | 88.3 | Confident | 26 Ų | 26 | 68 Ų | 68 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.8 | -36.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V118 R296 T297 R302 E303 L304 | V118-A300 HydrophobicContact CG1-CB 3.86Å; R296-A300 VanDerWaalsContact O-CB 3.28Å; R296-A300 WeakPolarHBondContact O-CB 3.33Å; R296-A300 PolarHBondContact O-N 3.41Å; R296-A300 VanDerWaalsContact O-N 3.09Å; T297-A300 PolarHBondContact O-N 2.87Å; A300-R302 VanDerWaalsContact C-N 3.34Å; A300-R302 PolarHBondContact O-N 3.49Å; A300-E303 PolarHBondContact O-N 2.77Å; A300-L304 WeakPolarHBondContact O-CG 3.5Å; A300-L304 PolarHBondContact O-N 2.78Å |
| 301 | V | 90.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.3 | -37 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | V118 T297 K298 D299 E303 L304 Y309 M312 I315 L316 | V118-V301 HydrophobicContact CB-CG2 4.37Å; V118-V301 HydrophobicContact CG1-CG2 3.78Å; V118-V301 HydrophobicContact CG2-CG2 3.57Å; T297-V301 WeakPolarHBondContact O-CG2 3.33Å; T297-V301 PolarHBondContact O-N 3.33Å; K298-V301 PolarHBondContact O-N 3.46Å; D299-V301 VanDerWaalsContact C-N 3.28Å; D299-V301 PolarHBondContact O-N 3.34Å; V301-E303 PolarHBondContact O-N 2.92Å; V301-L304 HydrophobicContact CB-CD1 4.42Å; V301-L304 HydrophobicContact CG1-CD1 4.43Å; V301-L304 HydrophobicContact CG2-CD1 4.24Å; V301-L304 WeakPolarHBondContact O-CB 3.39Å; V301-L304 PolarHBondContact O-N 3.25Å; V301-Y309 HydrophobicContact CG1-CD2 4.25Å; V301-Y309 HydrophobicContact CG1-CE2 4.36Å; V301-Y309 WeakPolarHBondContact O-CD2 3.48Å; V301-M312 HydrophobicContact CG1-CB 4.14Å; V301-M312 HydrophobicContact CG2-CB 4Å; V301-I315 HydrophobicContact CG2-CB 4.18Å; V301-I315 HydrophobicContact CG2-CG1 4.2Å; V301-I315 HydrophobicContact CG2-CG2 4.29Å; V301-L316 HydrophobicContact CB-CD1 4.4Å; V301-L316 HydrophobicContact CG1-CD1 3.73Å; V301-L316 HydrophobicContact CG1-CG 3.96Å |
| 302 | R | 88.4 | Confident | 86.7 | Confident | 113 Ų | 113 | 66.7 Ų | 66.7 | 43% | 0.426 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.3 | -20.4 | 177.1 | -63 | -173.7 | -150.9 | 97.7 | -1.5 | 113 | K298 D299 A300 L316 E319 | K298-R302 WeakPolarHBondContact O-CG 3.36Å; K298-R302 PolarHBondContact O-N 3.04Å; K298-R302 VanDerWaalsContact O-N 3.15Å; D299-R302 PolarHBondContact O-N 3.07Å; D299-R302 IonicContact OD1-CZ 2.72Å; D299-R302 IonicContact OD1-NH1 2.65Å; D299-R302 PolarHBondContact OD1-NH1 3.17Å; A300-R302 VanDerWaalsContact C-N 3.34Å; A300-R302 PolarHBondContact O-N 3.49Å; R302-L316 HydrophobicContact CG-CD1 3.64Å; R302-L316 HydrophobicContact CG-CD2 4.36Å; R302-E319 IonicContact CZ-OE2 3.92Å; R302-E319 IonicContact NE-OE2 3.28Å; R302-E319 IonicContact NH2-OE1 2.77Å; R302-E319 PolarHBondContact NH2-OE1 3.34Å; R302-E319 VanDerWaalsContact NH2-OE1 3.16Å; R302-E319 IonicContact NH2-OE2 2.71Å; R302-E319 PolarHBondContact NH2-OE2 2.92Å |
| 303 | E | 87.8 | Confident | 86.2 | Confident | 175 Ų | 175 | 67.8 Ų | 67.8 | 82% | 0.818 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -3.6 | 176 | -61.6 | -171 | 152.5 | 0 | 0 | 114.4 | D299 A300 V301 | D299-E303 PolarHBondContact O-N 3.45Å; A300-E303 PolarHBondContact O-N 2.77Å; V301-E303 PolarHBondContact O-N 2.92Å |
| 304 | L | 84.8 | Confident | 85.6 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -68.3 | 151.4 | -178.5 | -73.3 | 176 | 0 | 0 | 0 | 113.7 | A300 V301 Q308 M312 | A300-L304 WeakPolarHBondContact O-CG 3.5Å; A300-L304 PolarHBondContact O-N 2.78Å; V301-L304 HydrophobicContact CB-CD1 4.42Å; V301-L304 HydrophobicContact CG1-CD1 4.43Å; V301-L304 HydrophobicContact CG2-CD1 4.24Å; V301-L304 WeakPolarHBondContact O-CB 3.39Å; V301-L304 PolarHBondContact O-N 3.25Å; L304-Q308 HydrophobicContact CB-CB 4.16Å; L304-Q308 HydrophobicContact CD1-CB 4.17Å; L304-Q308 HydrophobicContact CD2-CB 4.12Å; L304-Q308 HydrophobicContact CG-CB 4.38Å; L304-M312 HydrophobicContact CD1-CB 3.75Å; L304-M312 HydrophobicContact CD1-CG 4.02Å |
| 305 | D | 80.8 | Confident | 85.2 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 40% | 0.401 | 32% | 0.318 | S | S | . | . | trans | -62.7 | 161.2 | 172.7 | 75.1 | 55.8 | 0 | 0 | 0 | 113.1 | L307 Q308 Y309 | D305-L307 PolarHBondContact O-N 3.37Å; D305-L307 WeakPolarHBondContact OD1-CA 3.02Å; D305-L307 VanDerWaalsContact OD1-CB 3.3Å; D305-L307 WeakPolarHBondContact OD1-CB 3.45Å; D305-L307 PolarHBondContact OD1-N 3.02Å; D305-Q308 PolarHBondContact O-N 3.11Å; D305-Q308 VanDerWaalsContact O-N 3.17Å; D305-Q308 PolarHBondContact OD1-N 3.28Å; D305-Q308 WeakPolarHBondContact OD2-CG 3.45Å; D305-Q308 PolarHBondContact OD2-NE2 3.33Å; D305-Y309 WeakPolarHBondContact O-CB 3.31Å; D305-Y309 PolarHBondContact O-N 3.41Å | ||
| 306 | N | 77.8 | Confident | 84.9 | Confident | 131 Ų | 131 | 66 Ų | 66 | 70% | 0.701 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -14 | -176.7 | -92.1 | -61.7 | 0 | 0 | 0 | 116 | R310 | N306-R310 VanDerWaalsContact O-CD 3.23Å; N306-R310 WeakPolarHBondContact O-CD 3.44Å; N306-R310 VanDerWaalsContact O-CG 3.25Å; N306-R310 WeakPolarHBondContact O-CG 3.46Å; N306-R310 PolarHBondContact O-NE 2.97Å; N306-R310 VanDerWaalsContact O-NE 3.11Å |
| 307 | L | 71.4 | Confident | 84.4 | Confident | 89 Ų | 89 | 63 Ų | 63 | 47% | 0.466 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -46.2 | 175.4 | -178.8 | 62.8 | 0 | 0 | 0 | 110.7 | D305 R310 | D305-L307 PolarHBondContact O-N 3.37Å; D305-L307 WeakPolarHBondContact OD1-CA 3.02Å; D305-L307 VanDerWaalsContact OD1-CB 3.3Å; D305-L307 WeakPolarHBondContact OD1-CB 3.45Å; D305-L307 PolarHBondContact OD1-N 3.02Å; L307-R310 PolarHBondContact O-N 2.87Å |
| 308 | Q | 73.2 | Confident | 83.4 | Confident | 56 Ų | 56 | 65.4 Ų | 65.4 | 26% | 0.262 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -70 | -39.8 | 178.4 | -64.2 | -170.9 | 72.5 | 0 | 0 | 111.9 | K120 L304 D305 R310 K311 M312 | K120-Q308 VanDerWaalsContact NZ-OE1 3.1Å; L304-Q308 HydrophobicContact CB-CB 4.16Å; L304-Q308 HydrophobicContact CD1-CB 4.17Å; L304-Q308 HydrophobicContact CD2-CB 4.12Å; L304-Q308 HydrophobicContact CG-CB 4.38Å; D305-Q308 PolarHBondContact O-N 3.11Å; D305-Q308 VanDerWaalsContact O-N 3.17Å; D305-Q308 PolarHBondContact OD1-N 3.28Å; D305-Q308 WeakPolarHBondContact OD2-CG 3.45Å; D305-Q308 PolarHBondContact OD2-NE2 3.33Å; Q308-R310 VanDerWaalsContact C-N 3.29Å; Q308-R310 PolarHBondContact O-N 2.98Å; Q308-K311 PolarHBondContact O-N 2.89Å; Q308-K311 VanDerWaalsContact O-N 3.08Å; Q308-M312 PolarHBondContact O-N 2.9Å |
| 309 | Y | 78.1 | Confident | 82.2 | Confident | 94 Ų | 94 | 67.9 Ų | 67.9 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.2 | -40.8 | 173.2 | -177.6 | -103.1 | 0 | 0 | 0 | 112.2 | V301 D305 K311 M312 K313 L316 | V301-Y309 HydrophobicContact CG1-CD2 4.25Å; V301-Y309 HydrophobicContact CG1-CE2 4.36Å; V301-Y309 WeakPolarHBondContact O-CD2 3.48Å; D305-Y309 WeakPolarHBondContact O-CB 3.31Å; D305-Y309 PolarHBondContact O-N 3.41Å; Y309-K311 PolarHBondContact O-N 3.14Å; Y309-M312 PolarHBondContact O-N 2.73Å; Y309-K313 HydrophobicContact CE1-CB 4.28Å; Y309-K313 HydrophobicContact CE2-CB 4.48Å; Y309-K313 VanDerWaalsContact O-CB 3.25Å; Y309-K313 WeakPolarHBondContact O-CB 3.49Å; Y309-K313 WeakPolarHBondContact O-CG 3.43Å; Y309-K313 PolarHBondContact O-N 2.79Å; Y309-L316 HydrophobicContact CE2-CD1 3.96Å |
| 310 | R | 76.4 | Confident | 80.4 | Confident | 174 Ų | 174 | 67.9 Ų | 67.9 | 66% | 0.657 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.7 | -29.6 | 178.2 | -74.4 | 172.9 | -170 | -153.9 | -1 | 113.4 | N306 L307 Q308 K313 | N306-R310 VanDerWaalsContact O-CD 3.23Å; N306-R310 WeakPolarHBondContact O-CD 3.44Å; N306-R310 VanDerWaalsContact O-CG 3.25Å; N306-R310 WeakPolarHBondContact O-CG 3.46Å; N306-R310 PolarHBondContact O-NE 2.97Å; N306-R310 VanDerWaalsContact O-NE 3.11Å; L307-R310 PolarHBondContact O-N 2.87Å; Q308-R310 VanDerWaalsContact C-N 3.29Å; Q308-R310 PolarHBondContact O-N 2.98Å; R310-K313 WeakPolarHBondContact O-CE 3.5Å |
| 311 | K | 75.3 | Confident | 78.2 | Confident | 83 Ų | 83 | 74.1 Ų | 74.1 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -83.6 | -43.4 | 175.6 | -173.6 | 177.4 | 173.2 | -173.1 | 0 | 111.6 | E117 Q308 Y309 S358 | E117-K311 IonicContact OE1-NZ 2.81Å; E117-K311 PolarHBondContact OE1-NZ 3.23Å; E117-K311 WeakPolarHBondContact OE2-CE 3.38Å; E117-K311 IonicContact OE2-NZ 3.86Å; E117-K311 PolarHBondContact OE2-NZ 3.33Å; Q308-K311 PolarHBondContact O-N 2.89Å; Q308-K311 VanDerWaalsContact O-N 3.08Å; Y309-K311 PolarHBondContact O-N 3.14Å; K311-S358 PolarHBondContact NZ-OG 3.19Å |
| 312 | M | 84.8 | Confident | 75.7 | Confident | 3 Ų | 3 | 80.4 Ų | 80.4 | 2% | 0.015 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -93.4 | -7 | -171.6 | -62.7 | -52.6 | -175.7 | 0 | 0 | 116 | E117 V118 V301 L304 Q308 Y309 K314 I315 | E117-M312 HydrophobicContact CB-CE 3.49Å; E117-M312 VanDerWaalsContact CB-CE 3.49Å; E117-M312 HydrophobicContact CG-CE 3.39Å; V118-M312 HydrophobicContact CG2-CB 4.14Å; V118-M312 HydrophobicContact CG2-CG 3.86Å; V118-M312 HydrophobicContact CG2-SD 4.08Å; V301-M312 HydrophobicContact CG1-CB 4.14Å; V301-M312 HydrophobicContact CG2-CB 4Å; L304-M312 HydrophobicContact CD1-CB 3.75Å; L304-M312 HydrophobicContact CD1-CG 4.02Å; Q308-M312 PolarHBondContact O-N 2.9Å; Y309-M312 PolarHBondContact O-N 2.73Å; M312-K314 PolarHBondContact O-N 3.18Å; M312-I315 WeakPolarHBondContact O-CB 3.44Å; M312-I315 WeakPolarHBondContact O-CG1 3.43Å; M312-I315 PolarHBondContact O-N 3.03Å |
| 313 | K | 85.3 | Confident | 73 | Confident | 111 Ų | 111 | 77.6 Ų | 77.6 | 48% | 0.483 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -52.7 | -15.8 | 172.2 | 62.6 | 169.9 | -174.9 | 165.5 | 0 | 114.8 | Y309 R310 I315 L316 | Y309-K313 HydrophobicContact CE1-CB 4.28Å; Y309-K313 HydrophobicContact CE2-CB 4.48Å; Y309-K313 VanDerWaalsContact O-CB 3.25Å; Y309-K313 WeakPolarHBondContact O-CB 3.49Å; Y309-K313 WeakPolarHBondContact O-CG 3.43Å; Y309-K313 PolarHBondContact O-N 2.79Å; R310-K313 WeakPolarHBondContact O-CE 3.5Å; K313-I315 PolarHBondContact O-N 3.41Å; K313-L316 PolarHBondContact O-N 3.01Å |
| 314 | K | 85.1 | Confident | 70.3 | Confident | 38 Ų | 38 | 74.9 Ų | 74.9 | 17% | 0.165 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -57.2 | -30.9 | 172.4 | 63.1 | 170.4 | 178.7 | 166.7 | 0 | 112.9 | I34 Y107 D114 M312 L316 L317 | I34-K314 HydrophobicContact CB-CB 4.32Å; I34-K314 HydrophobicContact CB-CD 4.3Å; I34-K314 HydrophobicContact CG2-CB 3.96Å; I34-K314 WeakPolarHBondContact O-CD 3.24Å; I34-K314 PolarHBondContact O-NZ 3.34Å; Y107-K314 PolarHBondContact OH-O 2.93Å; Y107-K314 VanDerWaalsContact OH-O 3.08Å; D114-K314 VanDerWaalsContact CG-CE 3.44Å; D114-K314 WeakPolarHBondContact OD1-CE 3.15Å; D114-K314 IonicContact OD1-NZ 2.79Å; D114-K314 PolarHBondContact OD1-NZ 3.47Å; D114-K314 IonicContact OD2-NZ 3.2Å; D114-K314 PolarHBondContact OD2-NZ 2.83Å; M312-K314 PolarHBondContact O-N 3.18Å; K314-L316 PolarHBondContact O-N 2.89Å; K314-L317 HydrophobicContact CB-CD1 4.25Å; K314-L317 PolarHBondContact O-N 3.45Å |
| 315 | I | 88.1 | Confident | 67.8 | Low | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -65.9 | -18.7 | 175.5 | -55.8 | -55.2 | 0 | 0 | 0 | 112.2 | L109 D114 T297 K298 V301 M312 K313 | L109-I315 HydrophobicContact CD1-CG2 4.29Å; L109-I315 WeakPolarHBondContact CD1-O 3.39Å; L109-I315 HydrophobicContact CD2-CG2 4.14Å; L109-I315 HydrophobicContact CG-CG2 4.08Å; L109-I315 VanDerWaalsContact O-CD1 3.3Å; L109-I315 WeakPolarHBondContact O-CD1 3.46Å; D114-I315 HydrophobicContact CB-CD1 4.43Å; T297-I315 HydrophobicContact CG2-CG2 4.33Å; K298-I315 HydrophobicContact CG-CG2 4.09Å; V301-I315 HydrophobicContact CG2-CB 4.18Å; V301-I315 HydrophobicContact CG2-CG1 4.2Å; V301-I315 HydrophobicContact CG2-CG2 4.29Å; M312-I315 WeakPolarHBondContact O-CB 3.44Å; M312-I315 WeakPolarHBondContact O-CG1 3.43Å; M312-I315 PolarHBondContact O-N 3.03Å; K313-I315 PolarHBondContact O-N 3.41Å |
| 316 | L | 88.1 | Confident | 65.3 | Low | 15 Ų | 15 | 82.1 Ų | 82.1 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -111.4 | 7.1 | -175.1 | -57.6 | 178.9 | 0 | 0 | 0 | 113.7 | K298 V301 R302 Y309 K313 K314 Q318 E319 | K298-L316 HydrophobicContact CB-CD2 3.95Å; K298-L316 HydrophobicContact CG-CD2 4.1Å; V301-L316 HydrophobicContact CB-CD1 4.4Å; V301-L316 HydrophobicContact CG1-CD1 3.73Å; V301-L316 HydrophobicContact CG1-CG 3.96Å; R302-L316 HydrophobicContact CG-CD1 3.64Å; R302-L316 HydrophobicContact CG-CD2 4.36Å; Y309-L316 HydrophobicContact CE2-CD1 3.96Å; K313-L316 PolarHBondContact O-N 3.01Å; K314-L316 PolarHBondContact O-N 2.89Å; L316-Q318 VanDerWaalsContact C-N 3.3Å; L316-Q318 PolarHBondContact O-N 3.5Å; L316-E319 PolarHBondContact O-N 3.17Å |
| 317 | L | 84.1 | Confident | 63.3 | Low | 23 Ų | 23 | 84.1 Ų | 84.1 | 12% | 0.12 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -32.5 | -172.7 | -75.9 | 172.8 | 0 | 0 | 0 | 114 | R32 I34 F44 K314 | R32-L317 HydrophobicContact CB-CD1 4.49Å; I34-L317 HydrophobicContact CG2-CD1 3.52Å; F44-L317 HydrophobicContact CB-CD1 3.89Å; F44-L317 HydrophobicContact CD2-CB 3.84Å; F44-L317 HydrophobicContact CD2-CD1 4.08Å; F44-L317 HydrophobicContact CE2-CB 3.77Å; F44-L317 HydrophobicContact CG-CB 4.42Å; F44-L317 HydrophobicContact CG-CD1 3.99Å; F44-L317 HydrophobicContact CZ-CB 4.32Å; K314-L317 HydrophobicContact CB-CD1 4.25Å; K314-L317 PolarHBondContact O-N 3.45Å |
| 318 | Q | 74.6 | Confident | 61.3 | Low | 51 Ų | 51 | 84.7 Ų | 84.7 | 24% | 0.238 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -28.8 | -179 | -173.6 | 150.7 | -35.7 | 0 | 0 | 113 | Y107 E161 L316 | Y107-Q318 VanDerWaalsContact CD1-OE1 3.26Å; Y107-Q318 HydrophobicContact CE1-CB 4.37Å; Y107-Q318 VanDerWaalsContact CE1-OE1 3.32Å; E161-Q318 PolarHBondContact OE2-NE2 2.88Å; L316-Q318 VanDerWaalsContact C-N 3.3Å; L316-Q318 PolarHBondContact O-N 3.5Å |
| 319 | E | 67.2 | Low | 59.3 | Low | 63 Ų | 63 | 90.5 Ų | 90.5 | 29% | 0.294 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -77.5 | -25.8 | -177.6 | -59.6 | -173.7 | 160.9 | 0 | 0 | 113 | K298 R302 L316 H321 N322 | K298-E319 VanDerWaalsContact CD-OE1 3.31Å; K298-E319 WeakPolarHBondContact CD-OE1 3.35Å; K298-E319 VanDerWaalsContact CE-OE1 3.29Å; K298-E319 WeakPolarHBondContact CE-OE1 3.44Å; K298-E319 IonicContact NZ-OE1 3.21Å; K298-E319 PolarHBondContact NZ-OE1 3.42Å; R302-E319 IonicContact CZ-OE2 3.92Å; R302-E319 IonicContact NE-OE2 3.28Å; R302-E319 IonicContact NH2-OE1 2.77Å; R302-E319 PolarHBondContact NH2-OE1 3.34Å; R302-E319 VanDerWaalsContact NH2-OE1 3.16Å; R302-E319 IonicContact NH2-OE2 2.71Å; R302-E319 PolarHBondContact NH2-OE2 2.92Å; L316-E319 PolarHBondContact O-N 3.17Å; E319-H321 PolarHBondContact O-N 3.18Å; E319-N322 PolarHBondContact O-N 2.88Å; E319-N322 VanDerWaalsContact O-N 3.16Å |
| 320 | A | 55.6 | Low | 57 | Low | 68 Ų | 68 | 94.3 Ų | 94.3 | 56% | 0.562 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -67.7 | 9.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 321 | H | 46.3 | Very low | 54.7 | Low | 156 Ų | 156 | 89.3 Ų | 89.3 | 72% | 0.722 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -142.6 | 5.9 | 174.8 | -122 | 47.9 | 0 | 0 | 0 | 115.1 | E319 | E319-H321 PolarHBondContact O-N 3.18Š|
| 322 | N | 36.9 | Very low | 52.4 | Low | 132 Ų | 132 | 92.8 Ų | 92.8 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | trans | -96.3 | 6.9 | 176.9 | -73 | -2.3 | 0 | 0 | 0 | 113.2 | E319 | E319-N322 PolarHBondContact O-N 2.88Å; E319-N322 VanDerWaalsContact O-N 3.16Å | ||
| 323 | G | 32.1 | Very low | 49.8 | Very low | 54 Ų | 54 | 101.1 Ų | 101.1 | 56% | 0.557 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -72.1 | 146.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T325 | G323-T325 PolarHBondContact O-N 2.84Š|
| 324 | P | 30.4 | Very low | 47.1 | Very low | 119 Ų | 119 | 102.4 Ų | 102.4 | 77% | 0.773 | 59% | 0.589 | S | S | * | * | trans | -62.6 | 137.3 | -179.8 | 26.9 | -34.6 | 0 | 0 | 0 | 111 | T326 | P324-T326 VanDerWaalsContact C-N 3.3Å; P324-T326 PolarHBondContact O-N 3.28Å | ||
| 325 | T | 32.2 | Very low | 44.4 | Very low | 142 Ų | 142 | 107.2 Ų | 107.2 | 87% | 0.871 | 62% | 0.616 | S | S | * | * | trans | -70.3 | 84.6 | 172.4 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | G323 | G323-T325 PolarHBondContact O-N 2.84Š| ||
| 326 | T | 28.9 | Very low | 41.7 | Very low | 122 Ų | 122 | 114.3 Ų | 114.3 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | -77.2 | 116.7 | 163.9 | -50.1 | 0 | 0 | 0 | 0 | 108.3 | P324 A328 | P324-T326 VanDerWaalsContact C-N 3.3Å; P324-T326 PolarHBondContact O-N 3.28Å; T326-A328 PolarHBondContact O-N 3.49Å | ||
| 327 | E | 35.2 | Very low | 38.8 | Very low | 173 Ų | 173 | 121 Ų | 121 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | trans | -62.9 | 131.8 | 173.8 | -60.2 | -178.6 | 147.9 | 0 | 0 | 110.3 | ||||
| 328 | A | 29.8 | Very low | 36 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 84% | 0.835 | 72% | 0.717 | S | S | * | * | trans | -132.4 | 121.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | T326 | T326-A328 PolarHBondContact O-N 3.49Š| ||
| 329 | Q | 30.2 | Very low | 33.7 | Very low | 178 Ų | 178 | 125.2 Ų | 125.2 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -89 | 158 | -168.8 | -66.3 | 170 | -25.8 | 0 | 0 | 111.9 | ||||
| 330 | D | 31.3 | Very low | 31.7 | Very low | 173 Ų | 173 | 126 Ų | 126 | 93% | 0.925 | 77% | 0.772 | S | S | * | * | trans | -67.4 | 153.9 | 159.1 | -71.6 | -55.3 | 0 | 0 | 0 | 110.6 | ||||
| 331 | G | 27.8 | Very low | 30.3 | Very low | 70 Ų | 70 | 134.5 Ų | 134.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 121.6 | 88.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 332 | D | 27.3 | Very low | 29.3 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | cis | 80.4 | 143.4 | 44.4 | -150.8 | 8 | 0 | 0 | 0 | 113.4 | ||||
| 333 | E | 30.1 | Very low | 28.8 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | 61.1 | 153.7 | -174.4 | -60.3 | -174.8 | -174.2 | 0 | 0 | 118.8 | ||||
| 334 | D | 28.1 | Very low | 28.5 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | cis | -163.4 | -170.2 | -46.3 | -152.1 | -14.4 | 0 | 0 | 0 | 109.6 | ||||
| 335 | L | 29.2 | Very low | 28.3 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | 84.5 | 112.6 | 167 | -52.7 | 174.9 | 0 | 0 | 0 | 116.3 | ||||
| 336 | E | 30.5 | Very low | 28 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | 82.1 | 142.9 | 54 | -77.1 | -141.8 | 129.2 | 0 | 0 | 113.9 | |||||
| 337 | L | 26.8 | Very low | 27.8 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | cis | -127.5 | 170.3 | -6.5 | -72.4 | 98 | 0 | 0 | 0 | 107.8 | ||||
| 338 | G | 25.3 | Very low | 27.4 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | cis | 145.5 | 163.8 | 7.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 339 | G | 26.5 | Very low | 27.1 | Very low | 85 Ų | 85 | 132.4 Ų | 132.4 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | cis | -176.4 | 157.3 | -6.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 340 | G | 25.5 | Very low | 26.8 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -175.8 | 107.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 341 | R | 25.7 | Very low | 26.5 | Very low | 246 Ų | 246 | 129.3 Ų | 129.3 | 93% | 0.928 | 81% | 0.806 | S | S | * | * | trans | -58.2 | 156.4 | 172.1 | -59.3 | 165 | 164.8 | 172.9 | -7.7 | 110.6 | ||||
| 342 | T | 26.2 | Very low | 26.5 | Very low | 141 Ų | 141 | 134 Ų | 134 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | cis | -144.9 | 171.8 | 31.4 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 343 | G | 25 | Very low | 26.5 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -128.8 | 158.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 344 | T | 26.7 | Very low | 26.2 | Very low | 149 Ų | 149 | 130 Ų | 130 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | trans | -157.4 | 168.2 | 156.2 | 11.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 345 | V | 26.5 | Very low | 26.1 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | trans | -70.5 | 162.1 | -165.3 | -68.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 346 | N | 24.9 | Very low | 25.8 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | 66.4 | 125.8 | 155 | -60.8 | -18.1 | 0 | 0 | 0 | 119.5 | ||||
| 347 | S | 25.4 | Very low | 25.6 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | -179.6 | 157.1 | 90.4 | -164.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 348 | V | 26.8 | Very low | 25.4 | Very low | 139 Ų | 139 | 123 Ų | 123 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -72.7 | 137.5 | -178.4 | -163.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 349 | G | 24.5 | Very low | 25.6 | Very low | 70 Ų | 70 | 124.8 Ų | 124.8 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | 100.6 | 119.3 | 118.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 350 | S | 23.6 | Very low | 25.6 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -154.7 | 109.4 | 145.7 | 43.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 351 | N | 24.2 | Very low | 25.6 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | trans | -143.5 | 116.2 | 160.2 | -100.6 | -30.2 | 0 | 0 | 0 | 108.2 | ||||
| 352 | Q | 28.3 | Very low | 25.6 | Very low | 170 Ų | 170 | 113.6 Ų | 113.6 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | trans | -93.4 | 133.5 | 169 | -63.2 | 173.7 | 2.8 | 0 | 0 | 107.8 | ||||
| 353 | S | 26.4 | Very low | 25.6 | Very low | 96 Ų | 96 | 107.3 Ų | 107.3 | 67% | 0.671 | 67% | 0.671 | S | S | * | * | trans | -164.8 | 145.7 | 159.1 | -87.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 354 | I | 24 | Very low | 25.8 | Very low | 153 Ų | 153 | 106.7 Ų | 106.7 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 133.6 | -177.4 | -62.4 | 169.5 | 0 | 0 | 0 | 108.3 | S356 | I354-S356 PolarHBondContact O-N 2.8Š|
| 355 | P | 26.1 | Very low | 25.7 | Very low | 100 Ų | 100 | 100.4 Ų | 100.4 | 65% | 0.649 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 124.7 | 179.6 | 29.4 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 356 | S | 23.8 | Very low | 25.7 | Very low | 96 Ų | 96 | 96 Ų | 96 | 67% | 0.671 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 139.4 | 165.9 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | I354 | I354-S356 PolarHBondContact O-N 2.8Š|
| 357 | M | 26 | Very low | 25.8 | Very low | 171 Ų | 171 | 91.3 Ų | 91.3 | 84% | 0.842 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 131.7 | 177.7 | -62.7 | 178.8 | 73.5 | 0 | 0 | 111.3 | ||
| 358 | S | 22.8 | Very low | 25.8 | Very low | 67 Ų | 67 | 90.8 Ų | 90.8 | 47% | 0.469 | 56% | 0.556 | S | S | . | * | trans | -139.4 | 125 | 160.9 | 59.4 | 0 | 0 | 0 | 0 | 109.1 | K311 | K311-S358 PolarHBondContact NZ-OG 3.19Š| ||
| 359 | I | 29.8 | Very low | 25.8 | Very low | 117 Ų | 117 | 91.2 Ų | 91.2 | 60% | 0.6 | 55% | 0.554 | S | S | * | * | trans | -126.7 | 107.1 | -174 | 36.3 | 168.2 | 0 | 0 | 0 | 109.3 | F226 A361 | F226-I359 HydrophobicContact CE1-CD1 4.24Å; F226-I359 HydrophobicContact CZ-CD1 3.86Å; F226-I359 HydrophobicContact CZ-CG1 4.14Å; I359-A361 PolarHBondContact O-N 2.77Å | ||
| 360 | S | 24.6 | Very low | 25.9 | Very low | 79 Ų | 79 | 93.2 Ų | 93.2 | 55% | 0.552 | 56% | 0.557 | S | S | * | * | trans | -70.8 | 109.2 | 175.3 | -51.4 | 0 | 0 | 0 | 0 | 109.5 | S362 | S360-S362 PolarHBondContact O-N 2.74Š| ||
| 361 | A | 25.9 | Very low | 25.9 | Very low | 45 Ų | 45 | 95.8 Ų | 95.8 | 37% | 0.372 | 56% | 0.56 | S | S | . | * | trans | -69.8 | 115.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T185 I359 S363 | T185-A361 HydrophobicContact CG2-CB 3.54Å; I359-A361 PolarHBondContact O-N 2.77Å; A361-S363 PolarHBondContact O-N 2.99Å | ||
| 362 | S | 26.2 | Very low | 26.1 | Very low | 51 Ų | 51 | 95.6 Ų | 95.6 | 36% | 0.357 | 56% | 0.559 | S | S | . | * | trans | -86.5 | 109.6 | -172.7 | 67.4 | 0 | 0 | 0 | 0 | 113.2 | S360 R462 | S360-S362 PolarHBondContact O-N 2.74Å; S362-R462 PolarHBondContact OG-NH1 2.76Å; S362-R462 VanDerWaalsContact OG-NH1 3.13Å | ||
| 363 | S | 26.7 | Very low | 26 | Very low | 8 Ų | 8 | 96.9 Ų | 96.9 | 6% | 0.056 | 57% | 0.565 | C | S | . | * | trans | -71.9 | 140.2 | 165 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | S38 D151 T185 A361 | S38-S363 PolarHBondContact OG-O 3.36Å; S38-S363 VanDerWaalsContact OG-O 3.11Å; D151-S363 PolarHBondContact OD1-OG 2.72Å; D151-S363 WeakPolarHBondContact OD2-CB 3.31Å; D151-S363 PolarHBondContact OD2-OG 3.44Å; T185-S363 PolarHBondContact OG1-OG 3.21Å; T185-S363 VanDerWaalsContact OG1-OG 3.13Å; A361-S363 PolarHBondContact O-N 2.99Å | ||
| 364 | Q | 29.5 | Very low | 25.9 | Very low | 58 Ų | 58 | 96.6 Ų | 96.6 | 27% | 0.271 | 57% | 0.569 | S | S | . | * | trans | -140 | 120.8 | 159.9 | -81.9 | -155.5 | -45.8 | 0 | 0 | 111.5 | ||||
| 365 | S | 24.7 | Very low | 26.1 | Very low | 16 Ų | 16 | 93.6 Ų | 93.6 | 11% | 0.112 | 57% | 0.567 | C | S | . | * | trans | -55.6 | 163 | 160.4 | 41.8 | 0 | 0 | 0 | 0 | 111.8 | D72 | D72-S365 VanDerWaalsContact CG-OG 3.24Å; D72-S365 PolarHBondContact OD1-OG 3.36Å; D72-S365 PolarHBondContact OD2-OG 2.89Å | ||
| 366 | S | 26.7 | Very low | 26.2 | Very low | 26 Ų | 26 | 97.6 Ų | 97.6 | 18% | 0.182 | 58% | 0.577 | C | S | . | * | trans | -149 | 131.2 | 157.1 | 60.5 | 0 | 0 | 0 | 0 | 108.9 | R473 | S366-R473 PolarHBondContact OG-NH2 3.42Š| ||
| 367 | S | 26.2 | Very low | 26.3 | Very low | 50 Ų | 50 | 100 Ų | 100 | 35% | 0.35 | 58% | 0.582 | S | S | . | * | trans | -97.2 | 131.2 | -167.1 | -61.1 | 0 | 0 | 0 | 0 | 112 | K75 | K75-S367 PolarHBondContact NZ-OG 2.78Š| ||
| 368 | V | 25.2 | Very low | 26.4 | Very low | 109 Ų | 109 | 96.8 Ų | 96.8 | 66% | 0.661 | 58% | 0.577 | S | S | * | * | trans | -124.1 | 128.6 | 163.6 | -69.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 369 | N | 26 | Very low | 26.4 | Very low | 149 Ų | 149 | 105.4 Ų | 105.4 | 80% | 0.797 | 60% | 0.599 | S | S | * | * | trans | -94.8 | 121.6 | 175.9 | -78.2 | 11.6 | 0 | 0 | 0 | 109.3 | ||||
| 370 | S | 27.2 | Very low | 26.3 | Very low | 112 Ų | 112 | 105.6 Ų | 105.6 | 78% | 0.783 | 61% | 0.611 | S | S | * | * | trans | -80.3 | 137.3 | 158.6 | -60.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 371 | L | 24.7 | Very low | 26.2 | Very low | 171 Ų | 171 | 110.1 Ų | 110.1 | 90% | 0.895 | 62% | 0.623 | S | S | * | * | trans | -126.4 | 118.2 | 157.2 | -74.7 | 176.2 | 0 | 0 | 0 | 106.5 | ||||
| 372 | N | 27.1 | Very low | 26.3 | Very low | 163 Ų | 163 | 115.3 Ų | 115.3 | 87% | 0.872 | 64% | 0.644 | S | S | * | * | trans | -151.3 | 106.9 | 165.9 | -154.8 | 55.5 | 0 | 0 | 0 | 107.3 | ||||
| 373 | E | 25.9 | Very low | 26.3 | Very low | 198 Ų | 198 | 119.2 Ų | 119.2 | 93% | 0.925 | 66% | 0.661 | S | S | * | * | trans | -121.7 | 123.5 | -175.6 | -177.6 | 170.4 | -143.9 | 0 | 0 | 107.3 | ||||
| 374 | A | 25.4 | Very low | 26.5 | Very low | 90 Ų | 90 | 125.1 Ų | 125.1 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | trans | -151.9 | 92.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 375 | A | 28.2 | Very low | 26.4 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | trans | 169.8 | 117.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 376 | Q | 26.8 | Very low | 26.6 | Very low | 183 Ų | 183 | 136.1 Ų | 136.1 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | 173.6 | 108 | 118 | -92.5 | 171 | 13.2 | 0 | 0 | 112.9 | |||||
| 377 | D | 27.6 | Very low | 26.6 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | 48.9 | 117.9 | 138.7 | -62 | -10.3 | 0 | 0 | 0 | 125 | ||||
| 378 | S | 26.6 | Very low | 26.6 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 89.7 | 124.4 | 122.7 | -71.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 379 | R | 24.4 | Very low | 26.7 | Very low | 248 Ų | 248 | 146 Ų | 146 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | 73.6 | 143 | 162 | -63.9 | 175.6 | 175.4 | 179.2 | -2.3 | 116.1 | ||||
| 380 | S | 26.3 | Very low | 26.9 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | cis | -150.1 | -173.9 | 1.6 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 381 | E | 24.1 | Very low | 26.8 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -73 | 166.4 | -168.9 | -64.8 | 169.4 | 92.5 | 0 | 0 | 118.2 | ||||
| 382 | L | 27.1 | Very low | 26.8 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | 72.1 | 145.1 | 164.2 | -62.2 | 153.3 | 0 | 0 | 0 | 116 | ||||
| 383 | D | 26.5 | Very low | 26.7 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | cis | -154 | -175.3 | 26 | -149.2 | 8.9 | 0 | 0 | 0 | 116.3 | ||||
| 384 | L | 30.2 | Very low | 26.7 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -34.5 | 137.1 | -172.9 | -99.8 | 70.1 | 0 | 0 | 0 | 125.5 | ||||
| 385 | M | 27.8 | Very low | 26.7 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | 66 | 160.5 | 121.2 | -76.6 | -175.4 | 67.2 | 0 | 0 | 126.8 | |||||
| 386 | D | 27.8 | Very low | 26.7 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 65.8 | 145.5 | 172.1 | -70 | -3 | 0 | 0 | 0 | 119.5 | ||||
| 387 | G | 27.4 | Very low | 26.7 | Very low | 75 Ų | 75 | 139.3 Ų | 139.3 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -164.4 | 170.3 | 1.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 388 | D | 26.2 | Very low | 26.7 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -83.6 | 161.6 | -166.1 | -150.8 | -20.9 | 0 | 0 | 0 | 114.7 | ||||
| 389 | H | 27.8 | Very low | 26.6 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | 170.6 | 130.5 | 124.6 | -85.6 | -40.3 | 0 | 0 | 0 | 113.7 | |||||
| 390 | T | 29.5 | Very low | 26.7 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -130.2 | 130 | 173.8 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 391 | V | 26.1 | Very low | 26.6 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -144.3 | 137.4 | 165.6 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 392 | M | 24.5 | Very low | 27.4 | Very low | 153 Ų | 153 | 135 Ų | 135 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -110.1 | 164.3 | 171.4 | -54.4 | -165.8 | -50.6 | 0 | 0 | 111.6 | ||||
| 393 | S | 25.3 | Very low | 27.4 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -157.1 | 157.4 | 156.7 | -84.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 394 | N | 26 | Very low | 27.5 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | -122.9 | 147.2 | -159.5 | -80.3 | -26.7 | 0 | 0 | 0 | 115.3 | ||||
| 395 | S | 25.3 | Very low | 27.4 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | 25.5 | 127.2 | 138.6 | 171.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 396 | S | 26.6 | Very low | 27.4 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -168 | 174 | 136.3 | 33 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 397 | V | 26.7 | Very low | 27.3 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | -165.5 | 126.4 | -79.9 | 139.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 398 | I | 27.7 | Very low | 27.2 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | trans | 48 | 123.1 | 155.3 | -56.8 | 169.7 | 0 | 0 | 0 | 120.9 | ||||
| 399 | H | 25.7 | Very low | 27.2 | Very low | 188 Ų | 188 | 142 Ų | 142 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | -159.1 | 158.3 | 130.1 | -111.8 | 62.4 | 0 | 0 | 0 | 112.9 | ||||
| 400 | V | 26.4 | Very low | 27.2 | Very low | 119 Ų | 119 | 137 Ų | 137 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -152.9 | 145 | -159.9 | 173.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 401 | K | 23.8 | Very low | 27.2 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | trans | 64.5 | 173 | 165.9 | -92.7 | -163.4 | 166.4 | -158.6 | 0 | 118.4 | E403 | K401-E403 VanDerWaalsContact CE-CD 3.41Å; K401-E403 VanDerWaalsContact CE-OE1 3.25Å; K401-E403 WeakPolarHBondContact CE-OE1 3.24Å; K401-E403 WeakPolarHBondContact CE-OE2 3.32Å; K401-E403 IonicContact NZ-OE1 3.01Å; K401-E403 PolarHBondContact NZ-OE1 2.91Å; K401-E403 IonicContact NZ-OE2 2.9Å; K401-E403 PolarHBondContact NZ-OE2 3.28Å | ||
| 402 | P | 41.2 | Very low | 27.3 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -107.9 | 162.4 | -12.2 | 3.9 | 21.6 | 0 | 0 | 0 | 113.1 | ||||
| 403 | E | 27.5 | Very low | 27.4 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | 67.8 | 121.3 | 72.3 | -60.1 | 174.3 | 145.2 | 0 | 0 | 117.3 | K401 | K401-E403 VanDerWaalsContact CE-CD 3.41Å; K401-E403 VanDerWaalsContact CE-OE1 3.25Å; K401-E403 WeakPolarHBondContact CE-OE1 3.24Å; K401-E403 WeakPolarHBondContact CE-OE2 3.32Å; K401-E403 IonicContact NZ-OE1 3.01Å; K401-E403 PolarHBondContact NZ-OE1 2.91Å; K401-E403 IonicContact NZ-OE2 2.9Å; K401-E403 PolarHBondContact NZ-OE2 3.28Å | |||
| 404 | E | 27.7 | Very low | 27.6 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -173.5 | 176.2 | 137.8 | -107 | 171 | -150.5 | 0 | 0 | 111.6 | ||||
| 405 | E | 29.3 | Very low | 27.7 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -122.2 | 162.5 | -152.2 | -58 | 178.8 | 119.1 | 0 | 0 | 116.6 | ||||
| 406 | E | 27.7 | Very low | 27.8 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | 60.2 | 162.9 | 153 | -80.3 | -166.8 | 171 | 0 | 0 | 120.2 | ||||
| 407 | S | 24.1 | Very low | 27.9 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | cis | -153.6 | 151.8 | 2 | 31.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 408 | L | 26.1 | Very low | 28.4 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 37.9 | 147.5 | 140.3 | -62.6 | 167.9 | 0 | 0 | 0 | 125.5 | ||||
| 409 | S | 27.2 | Very low | 28.5 | Very low | 127 Ų | 127 | 141 Ų | 141 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | 76.4 | 149.2 | 161.6 | 77.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 410 | G | 27.2 | Very low | 28.6 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -158.6 | -178.9 | 1.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 411 | E | 28.5 | Very low | 29.2 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -80.8 | 155.1 | -170.5 | -57.4 | 159.2 | 92 | 0 | 0 | 115.1 | ||||
| 412 | Q | 28 | Very low | 29.4 | Very low | 198 Ų | 198 | 139.2 Ų | 139.2 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | -174.2 | 175.4 | 116.5 | -99.7 | 175.1 | 28.4 | 0 | 0 | 112.4 | |||||
| 413 | A | 27.6 | Very low | 29.3 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -147.9 | 165.8 | -152.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 414 | A | 29.7 | Very low | 29.2 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 82.5 | 138.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 415 | S | 27.2 | Very low | 29.6 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 71.8 | 148.7 | 158.4 | -138.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 416 | S | 28.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | cis | -145.8 | 179 | 13.2 | -49.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 417 | Q | 28.3 | Very low | 29.5 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -60.4 | 168.2 | 175.3 | -59.5 | 173.9 | -35 | 0 | 0 | 114.9 | ||||
| 418 | P | 38.2 | Very low | 29.6 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | -141 | -172.3 | 103.1 | 40.1 | -27.3 | 0 | 0 | 0 | 115.7 | |||||
| 419 | T | 28.4 | Very low | 29.8 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -101.5 | 166 | -163.9 | 49.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 420 | E | 28.2 | Very low | 29.9 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 69% | 0.687 | 80% | 0.801 | S | S | * | * | trans | -61.9 | 165.3 | 161.2 | -120.5 | -170.6 | 150.7 | 0 | 0 | 112.3 | ||||
| 421 | P | 40 | Very low | 30 | Very low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | -143.6 | 179.8 | 57.7 | 40 | -19.3 | 0 | 0 | 0 | 118.5 | |||||
| 422 | Q | 27.6 | Very low | 30 | Very low | 148 Ų | 148 | 141 Ų | 141 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -73.9 | 169.8 | -175.8 | -112.5 | -179.5 | 69.8 | 0 | 0 | 115.5 | ||||
| 423 | P | 38.1 | Very low | 30 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | -146.7 | 172.2 | 57.4 | 40.7 | -20 | 0 | 0 | 0 | 119.4 | |||||
| 424 | A | 26.3 | Very low | 30.1 | Very low | 78 Ų | 78 | 148.3 Ų | 148.3 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | trans | -95.5 | -177.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 425 | P | 36.7 | Very low | 29.9 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -147.7 | -164.5 | 62.3 | 43.1 | -21.1 | 0 | 0 | 0 | 112.6 | |||||
| 426 | T | 26.9 | Very low | 30 | Very low | 123 Ų | 123 | 156.7 Ų | 156.7 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | cis | -156.4 | 141.6 | -2.8 | -17.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 427 | Q | 26.5 | Very low | 30.3 | Very low | 199 Ų | 199 | 159 Ų | 159 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -177.1 | 161.2 | 133.9 | -103.6 | -177.4 | 47.1 | 0 | 0 | 110.8 | ||||
| 428 | A | 26.5 | Very low | 30.5 | Very low | 97 Ų | 97 | 158.3 Ų | 158.3 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -116.8 | 139.3 | -159.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 429 | P | 31.6 | Very low | 29.9 | Very low | 126 Ų | 126 | 162.4 Ų | 162.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 155.3 | 171.9 | 35.9 | -33.5 | 0 | 0 | 0 | 113.4 | ||
| 430 | R | 27.5 | Very low | 30.1 | Very low | 249 Ų | 249 | 159.6 Ų | 159.6 | 94% | 0.94 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 152.9 | 171.7 | -76.2 | 179.2 | 170 | 168.1 | -3.6 | 111.8 | ||
| 431 | K | 29.9 | Very low | 30.5 | Very low | 194 Ų | 194 | 158.8 Ų | 158.8 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 130.4 | -177 | -61.3 | 178 | -179.9 | 179.4 | 0 | 112.2 | ||
| 432 | H | 29.4 | Very low | 30.4 | Very low | 186 Ų | 186 | 160.9 Ų | 160.9 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -111.1 | 128.6 | 152.4 | -97 | -79.1 | 0 | 0 | 0 | 108.8 | ||||
| 433 | Y | 26.8 | Very low | 31.1 | Very low | 205 Ų | 205 | 161 Ų | 161 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -70.6 | 129.9 | 167.9 | -92.3 | -100.9 | 0 | 0 | 0 | 109.3 | ||||
| 434 | R | 29.5 | Very low | 31.4 | Very low | 243 Ų | 243 | 160 Ų | 160 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -123.3 | 89.6 | 173.8 | -158.2 | 176.3 | -168.6 | -178 | 3.2 | 108 | R436 | R434-R436 PolarHBondContact O-N 3.07Š| ||
| 435 | N | 26.9 | Very low | 32.1 | Very low | 142 Ų | 142 | 159.7 Ų | 159.7 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -70.7 | 124.6 | -177 | -94.8 | 6.7 | 0 | 0 | 0 | 111 | E437 | N435-E437 PolarHBondContact O-N 3.15Š| ||
| 436 | R | 28.6 | Very low | 32.3 | Very low | 246 Ų | 246 | 158.3 Ų | 158.3 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | trans | -55 | 116.7 | 177.5 | 175.9 | 179.3 | 178.7 | 172.7 | -2.3 | 112 | R434 | R434-R436 PolarHBondContact O-N 3.07Š| ||
| 437 | E | 34 | Very low | 33 | Very low | 157 Ų | 157 | 156 Ų | 156 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -77.6 | -176.4 | 171.8 | -63.1 | -179.6 | 150.9 | 0 | 0 | 112.5 | N435 | N435-E437 PolarHBondContact O-N 3.15Š| ||
| 438 | H | 32.5 | Very low | 33.7 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | 74.7 | 65.8 | 168.2 | -63.5 | 76.8 | 0 | 0 | 0 | 116.9 | A440 | H438-A440 VanDerWaalsContact C-N 3.33Å; H438-A440 PolarHBondContact O-N 3.47Å | ||
| 439 | F | 27 | Very low | 34.7 | Very low | 217 Ų | 217 | 148.7 Ų | 148.7 | 95% | 0.952 | 72% | 0.724 | S | S | * | * | trans | -88.9 | 73.5 | 146.9 | -128.4 | -83 | 0 | 0 | 0 | 109.7 | ||||
| 440 | A | 31.8 | Very low | 35.6 | Very low | 72 Ų | 72 | 148.6 Ų | 148.6 | 60% | 0.595 | 71% | 0.707 | S | S | * | * | trans | -82 | 117.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | H438 I442 | H438-A440 VanDerWaalsContact C-N 3.33Å; H438-A440 PolarHBondContact O-N 3.47Å; A440-I442 PolarHBondContact O-N 3.03Å; A440-I442 VanDerWaalsContact O-N 3.1Å | ||
| 441 | T | 37 | Very low | 36.4 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | trans | -59.4 | 114.9 | 172.6 | -48.7 | 0 | 0 | 0 | 0 | 109.3 | R443 | T441-R443 PolarHBondContact O-N 3.11Š| ||
| 442 | I | 36.8 | Very low | 37.3 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 87% | 0.872 | 67% | 0.667 | S | S | * | * | trans | -66.9 | 96 | -168.5 | -57.1 | 175.8 | 0 | 0 | 0 | 110.6 | A440 | A440-I442 PolarHBondContact O-N 3.03Å; A440-I442 VanDerWaalsContact O-N 3.1Å | ||
| 443 | R | 42.7 | Very low | 38.1 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 56% | 0.562 | 64% | 0.644 | S | S | * | * | trans | -84.4 | 141.2 | 165.1 | -60.2 | -174.2 | -173.4 | -168.2 | 2 | 109 | T441 A445 V448 E451 | T441-R443 PolarHBondContact O-N 3.11Å; R443-A445 PolarHBondContact O-N 2.9Å; R443-V448 HydrophobicContact CB-CG2 4.26Å; R443-E451 IonicContact NH1-OE2 3.57Å | ||
| 444 | T | 45.2 | Very low | 39.1 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | trans | -61.4 | 130.7 | 175.4 | -46.4 | 0 | 0 | 0 | 0 | 110.2 | S446 L447 | T444-S446 PolarHBondContact O-N 3.49Å; T444-S446 VanDerWaalsContact O-N 3.09Å; T444-L447 VanDerWaalsContact O-CB 3.31Å; T444-L447 WeakPolarHBondContact O-CB 3.29Å; T444-L447 PolarHBondContact O-N 2.86Å | ||
| 445 | A | 39.7 | Very low | 39.9 | Very low | 73 Ų | 73 | 120.7 Ų | 120.7 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -52.4 | -37.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R443 L447 V448 T449 | R443-A445 PolarHBondContact O-N 2.9Å; A445-L447 PolarHBondContact O-N 3.11Å; A445-V448 PolarHBondContact O-N 3.14Å; A445-T449 PolarHBondContact O-N 2.87Å; A445-T449 PolarHBondContact O-OG1 3.23Å |
| 446 | S | 41.7 | Very low | 40.7 | Very low | 86 Ų | 86 | 119 Ų | 119 | 60% | 0.601 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.7 | -21.4 | 177.6 | 62.8 | 0 | 0 | 0 | 0 | 114.7 | T444 R450 | T444-S446 PolarHBondContact O-N 3.49Å; T444-S446 VanDerWaalsContact O-N 3.09Å; S446-R450 WeakPolarHBondContact O-CB 3.26Å; S446-R450 PolarHBondContact O-N 3.09Å |
| 447 | L | 40.7 | Very low | 41.7 | Very low | 75 Ų | 75 | 109.6 Ų | 109.6 | 39% | 0.393 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -73 | -51 | 172.3 | -158.9 | 79.5 | 0 | 0 | 0 | 109.1 | T444 A445 T449 R450 E451 | T444-L447 VanDerWaalsContact O-CB 3.31Å; T444-L447 WeakPolarHBondContact O-CB 3.29Å; T444-L447 PolarHBondContact O-N 2.86Å; A445-L447 PolarHBondContact O-N 3.11Å; L447-T449 VanDerWaalsContact C-N 3.33Å; L447-T449 PolarHBondContact O-N 3.29Å; L447-R450 WeakPolarHBondContact O-CB 3.46Å; L447-R450 PolarHBondContact O-N 2.86Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.18Å; L447-E451 WeakPolarHBondContact O-CG 3.49Å; L447-E451 PolarHBondContact O-N 3.23Å |
| 448 | V | 42.2 | Very low | 42.3 | Very low | 70 Ų | 70 | 105.2 Ų | 105.2 | 42% | 0.424 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.8 | -41 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | R443 A445 R450 M452 | R443-V448 HydrophobicContact CB-CG2 4.26Å; A445-V448 PolarHBondContact O-N 3.14Å; V448-R450 VanDerWaalsContact C-N 3.3Å; V448-R450 PolarHBondContact O-N 3.38Å; V448-M452 WeakPolarHBondContact O-CB 3.42Å; V448-M452 PolarHBondContact O-N 2.91Å |
| 449 | T | 47.4 | Very low | 43 | Very low | 72 Ų | 72 | 100.2 Ų | 100.2 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -33.3 | 175.4 | -38.8 | 0 | 0 | 0 | 0 | 112.5 | A445 L447 Q453 | A445-T449 PolarHBondContact O-N 2.87Å; A445-T449 PolarHBondContact O-OG1 3.23Å; L447-T449 VanDerWaalsContact C-N 3.33Å; L447-T449 PolarHBondContact O-N 3.29Å; T449-Q453 WeakPolarHBondContact O-CG 3.36Å; T449-Q453 PolarHBondContact O-N 3.15Å; T449-Q453 VanDerWaalsContact O-N 3.09Å |
| 450 | R | 49.3 | Very low | 44.3 | Very low | 123 Ų | 123 | 93.4 Ų | 93.4 | 46% | 0.464 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.3 | -46.2 | 178.8 | -146.1 | -166 | 86.3 | -151.6 | -4 | 111.3 | S446 L447 V448 M452 Q453 E454 | S446-R450 WeakPolarHBondContact O-CB 3.26Å; S446-R450 PolarHBondContact O-N 3.09Å; L447-R450 WeakPolarHBondContact O-CB 3.46Å; L447-R450 PolarHBondContact O-N 2.86Å; V448-R450 VanDerWaalsContact C-N 3.3Å; V448-R450 PolarHBondContact O-N 3.38Å; R450-M452 VanDerWaalsContact C-N 3.27Å; R450-M452 PolarHBondContact O-N 3.11Å; R450-Q453 PolarHBondContact O-N 3.47Å; R450-E454 IonicContact CZ-OE1 2.89Å; R450-E454 IonicContact NE-OE1 3.7Å; R450-E454 PolarHBondContact NE-OE1 3.4Å; R450-E454 IonicContact NE-OE2 2.77Å; R450-E454 IonicContact NH2-OE1 3.55Å; R450-E454 PolarHBondContact NH2-OE1 3.11Å; R450-E454 IonicContact NH2-OE2 3.17Å; R450-E454 PolarHBondContact NH2-OE2 3.04Å; R450-E454 WeakPolarHBondContact O-CB 3.46Å; R450-E454 WeakPolarHBondContact O-CG 3.4Å; R450-E454 PolarHBondContact O-N 3.07Å |
| 451 | E | 46.2 | Very low | 45.3 | Very low | 75 Ų | 75 | 93.8 Ų | 93.8 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.4 | -42 | 173.1 | -70.1 | 168.6 | 168.2 | 0 | 0 | 110.8 | R443 L447 E454 H455 | R443-E451 IonicContact NH1-OE2 3.57Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.18Å; L447-E451 WeakPolarHBondContact O-CG 3.49Å; L447-E451 PolarHBondContact O-N 3.23Å; E451-E454 PolarHBondContact O-N 3.48Å; E451-H455 WeakPolarHBondContact O-CB 3.27Å; E451-H455 PolarHBondContact O-N 3.06Å |
| 452 | M | 47.2 | Very low | 46.1 | Very low | 118 Ų | 118 | 91.1 Ų | 91.1 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.8 | -43.3 | 176.3 | -166.2 | 172.9 | 80.2 | 0 | 0 | 112.3 | V448 R450 H455 E456 | V448-M452 WeakPolarHBondContact O-CB 3.42Å; V448-M452 PolarHBondContact O-N 2.91Å; R450-M452 VanDerWaalsContact C-N 3.27Å; R450-M452 PolarHBondContact O-N 3.11Å; M452-H455 PolarHBondContact O-N 2.79Å; M452-E456 WeakPolarHBondContact O-CB 3.47Å; M452-E456 PolarHBondContact O-N 2.84Å |
| 453 | Q | 47.1 | Very low | 47.2 | Very low | 81 Ų | 81 | 90 Ų | 90 | 38% | 0.379 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 175.2 | -77.9 | -176.7 | -7.7 | 0 | 0 | 113 | T449 R450 Q457 | T449-Q453 WeakPolarHBondContact O-CG 3.36Å; T449-Q453 PolarHBondContact O-N 3.15Å; T449-Q453 VanDerWaalsContact O-N 3.09Å; R450-Q453 PolarHBondContact O-N 3.47Å; Q453-Q457 WeakPolarHBondContact O-CG 3.46Å; Q453-Q457 PolarHBondContact O-N 3.32Å; Q453-Q457 VanDerWaalsContact O-N 3.08Å; Q453-Q457 PolarHBondContact O-NE2 3.07Å |
| 454 | E | 48.5 | Very low | 48.1 | Very low | 90 Ų | 90 | 84.6 Ų | 84.6 | 42% | 0.421 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 174.3 | -75.7 | 167.3 | -169.3 | 0 | 0 | 110.4 | R450 E451 E456 Q457 D458 | R450-E454 IonicContact CZ-OE1 2.89Å; R450-E454 IonicContact NE-OE1 3.7Å; R450-E454 PolarHBondContact NE-OE1 3.4Å; R450-E454 IonicContact NE-OE2 2.77Å; R450-E454 IonicContact NH2-OE1 3.55Å; R450-E454 PolarHBondContact NH2-OE1 3.11Å; R450-E454 IonicContact NH2-OE2 3.17Å; R450-E454 PolarHBondContact NH2-OE2 3.04Å; R450-E454 WeakPolarHBondContact O-CB 3.46Å; R450-E454 WeakPolarHBondContact O-CG 3.4Å; R450-E454 PolarHBondContact O-N 3.07Å; E451-E454 PolarHBondContact O-N 3.48Å; E454-E456 VanDerWaalsContact C-N 3.34Å; E454-E456 PolarHBondContact O-N 2.84Å; E454-Q457 PolarHBondContact O-N 3.48Å; E454-D458 WeakPolarHBondContact O-CB 3.2Å; E454-D458 PolarHBondContact O-N 3.39Å; E454-D458 VanDerWaalsContact O-N 3.07Å |
| 455 | H | 45.6 | Very low | 48.7 | Very low | 127 Ų | 127 | 82.4 Ų | 82.4 | 59% | 0.588 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.9 | -35.5 | 174.9 | -176.4 | -77.2 | 0 | 0 | 0 | 113.1 | E451 M452 S459 | E451-H455 WeakPolarHBondContact O-CB 3.27Å; E451-H455 PolarHBondContact O-N 3.06Å; M452-H455 PolarHBondContact O-N 2.79Å; H455-S459 VanDerWaalsContact O-CB 3.27Å; H455-S459 WeakPolarHBondContact O-CB 3.31Å; H455-S459 PolarHBondContact O-N 3.27Å |
| 456 | E | 44.2 | Very low | 49.7 | Very low | 107 Ų | 107 | 81.8 Ų | 81.8 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 177.2 | -173.6 | 169.8 | -119.6 | 0 | 0 | 111.5 | M452 E454 D458 S459 E460 | M452-E456 WeakPolarHBondContact O-CB 3.47Å; M452-E456 PolarHBondContact O-N 2.84Å; E454-E456 VanDerWaalsContact C-N 3.34Å; E454-E456 PolarHBondContact O-N 2.84Å; E456-D458 PolarHBondContact O-N 3.23Å; E456-S459 WeakPolarHBondContact O-CB 3.43Å; E456-S459 PolarHBondContact O-N 3.22Å; E456-S459 VanDerWaalsContact O-N 3.14Å; E456-E460 PolarHBondContact O-N 3.43Å |
| 457 | Q | 49.3 | Very low | 50.8 | Low | 48 Ų | 48 | 79.4 Ų | 79.4 | 22% | 0.224 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 175 | -74.9 | 163.6 | 96.6 | 0 | 0 | 112.6 | Q453 E454 S459 E460 L461 | Q453-Q457 WeakPolarHBondContact O-CG 3.46Å; Q453-Q457 PolarHBondContact O-N 3.32Å; Q453-Q457 VanDerWaalsContact O-N 3.08Å; Q453-Q457 PolarHBondContact O-NE2 3.07Å; E454-Q457 PolarHBondContact O-N 3.48Å; Q457-S459 VanDerWaalsContact C-N 3.27Å; Q457-S459 PolarHBondContact O-N 3.45Å; Q457-E460 PolarHBondContact O-N 3.15Å; Q457-L461 PolarHBondContact O-N 3.44Å; Q457-L461 VanDerWaalsContact O-N 3.1Å |
| 458 | D | 46.9 | Very low | 52.1 | Low | 66 Ų | 66 | 76.7 Ų | 76.7 | 35% | 0.353 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72.3 | -23.1 | 177.3 | -162.8 | 35.1 | 0 | 0 | 0 | 111.7 | E454 E456 R462 | E454-D458 WeakPolarHBondContact O-CB 3.2Å; E454-D458 PolarHBondContact O-N 3.39Å; E454-D458 VanDerWaalsContact O-N 3.07Å; E456-D458 PolarHBondContact O-N 3.23Å; D458-R462 VanDerWaalsContact CG-CZ 3.49Å; D458-R462 WeakPolarHBondContact O-CG 3.23Å; D458-R462 PolarHBondContact O-N 2.94Å; D458-R462 PolarHBondContact O-NE 3.08Å; D458-R462 PolarHBondContact O-NH2 3.21Å; D458-R462 IonicContact OD1-CZ 3.31Å; D458-R462 IonicContact OD1-NH1 3.67Å; D458-R462 PolarHBondContact OD1-NH1 3.48Å; D458-R462 IonicContact OD1-NH2 2.82Å; D458-R462 IonicContact OD2-CZ 2.7Å; D458-R462 IonicContact OD2-NH1 3.83Å; D458-R462 PolarHBondContact OD2-NH1 2.81Å; D458-R462 IonicContact OD2-NH2 2.94Å; D458-R462 PolarHBondContact OD2-NH2 2.89Å |
| 459 | S | 47.3 | Very low | 53.1 | Low | 54 Ų | 54 | 76.5 Ų | 76.5 | 38% | 0.378 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -76.1 | -44.8 | 168.8 | -167.9 | 0 | 0 | 0 | 0 | 112.6 | H455 E456 Q457 L461 R462 E463 | H455-S459 VanDerWaalsContact O-CB 3.27Å; H455-S459 WeakPolarHBondContact O-CB 3.31Å; H455-S459 PolarHBondContact O-N 3.27Å; E456-S459 WeakPolarHBondContact O-CB 3.43Å; E456-S459 PolarHBondContact O-N 3.22Å; E456-S459 VanDerWaalsContact O-N 3.14Å; Q457-S459 VanDerWaalsContact C-N 3.27Å; Q457-S459 PolarHBondContact O-N 3.45Å; S459-L461 VanDerWaalsContact C-N 3.3Å; S459-L461 PolarHBondContact O-N 2.9Å; S459-R462 PolarHBondContact O-N 3.4Å; S459-E463 PolarHBondContact O-N 2.93Å |
| 460 | E | 52.5 | Low | 54.2 | Low | 74 Ų | 74 | 81.3 Ų | 81.3 | 35% | 0.346 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56 | -45.8 | 174.6 | -70.2 | 179.9 | 165.9 | 0 | 0 | 110.7 | E456 Q457 R462 E463 Q464 R696 | E456-E460 PolarHBondContact O-N 3.43Å; Q457-E460 PolarHBondContact O-N 3.15Å; E460-R462 PolarHBondContact O-N 3.21Å; E460-E463 PolarHBondContact O-N 2.7Å; E460-Q464 WeakPolarHBondContact O-CG 3.25Å; E460-Q464 PolarHBondContact O-N 2.85Å; E460-R696 VanDerWaalsContact CB-NH2 3.27Å; E460-R696 IonicContact OE2-CZ 3.84Å; E460-R696 IonicContact OE2-NE 2.68Å; E460-R696 PolarHBondContact OE2-NE 3.49Å; E460-R696 VanDerWaalsContact OE2-NE 3.17Å; E460-R696 IonicContact OE2-NH2 2.69Å; E460-R696 PolarHBondContact OE2-NH2 3.38Å |
| 461 | L | 52.8 | Low | 55.8 | Low | 81 Ų | 81 | 76.8 Ų | 76.8 | 42% | 0.424 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 179 | -178.4 | 67.1 | 0 | 0 | 0 | 112.1 | Q457 S459 E463 M465 | Q457-L461 PolarHBondContact O-N 3.44Å; Q457-L461 VanDerWaalsContact O-N 3.1Å; S459-L461 VanDerWaalsContact C-N 3.3Å; S459-L461 PolarHBondContact O-N 2.9Å; L461-E463 VanDerWaalsContact C-N 3.34Å; L461-M465 WeakPolarHBondContact O-CB 3.48Å; L461-M465 WeakPolarHBondContact O-CG 3.23Å; L461-M465 PolarHBondContact O-N 2.81Å |
| 462 | R | 55.4 | Low | 57.3 | Low | 72 Ų | 72 | 75.7 Ų | 75.7 | 27% | 0.272 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 172.9 | -83.3 | -174.2 | -77.4 | -89.2 | -2.6 | 112.4 | S362 D458 S459 E460 S466 | S362-R462 PolarHBondContact OG-NH1 2.76Å; S362-R462 VanDerWaalsContact OG-NH1 3.13Å; D458-R462 VanDerWaalsContact CG-CZ 3.49Å; D458-R462 WeakPolarHBondContact O-CG 3.23Å; D458-R462 PolarHBondContact O-N 2.94Å; D458-R462 PolarHBondContact O-NE 3.08Å; D458-R462 PolarHBondContact O-NH2 3.21Å; D458-R462 IonicContact OD1-CZ 3.31Å; D458-R462 IonicContact OD1-NH1 3.67Å; D458-R462 PolarHBondContact OD1-NH1 3.48Å; D458-R462 IonicContact OD1-NH2 2.82Å; D458-R462 IonicContact OD2-CZ 2.7Å; D458-R462 IonicContact OD2-NH1 3.83Å; D458-R462 PolarHBondContact OD2-NH1 2.81Å; D458-R462 IonicContact OD2-NH2 2.94Å; D458-R462 PolarHBondContact OD2-NH2 2.89Å; S459-R462 PolarHBondContact O-N 3.4Å; E460-R462 PolarHBondContact O-N 3.21Å; R462-S466 VanDerWaalsContact O-CB 3.24Å; R462-S466 WeakPolarHBondContact O-CB 3.19Å; R462-S466 PolarHBondContact O-N 3.17Å |
| 463 | E | 60.2 | Low | 58.4 | Low | 148 Ų | 148 | 75.9 Ų | 75.9 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.8 | -44.3 | 176.8 | -171.9 | 154.7 | -147 | 0 | 0 | 112.1 | S459 E460 L461 M465 S466 G467 | S459-E463 PolarHBondContact O-N 2.93Å; E460-E463 PolarHBondContact O-N 2.7Å; L461-E463 VanDerWaalsContact C-N 3.34Å; E463-M465 PolarHBondContact O-N 3.34Å; E463-S466 PolarHBondContact O-N 2.9Å; E463-G467 PolarHBondContact O-N 3.3Å |
| 464 | Q | 60.3 | Low | 59.8 | Low | 34 Ų | 34 | 78.4 Ų | 78.4 | 16% | 0.159 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54.8 | -48.8 | 171.4 | -70.6 | 175.7 | -57.8 | 0 | 0 | 111.4 | E460 S466 G467 Y468 E692 R696 | E460-Q464 WeakPolarHBondContact O-CG 3.25Å; E460-Q464 PolarHBondContact O-N 2.85Å; Q464-S466 PolarHBondContact O-N 2.92Å; Q464-G467 PolarHBondContact O-N 3.49Å; Q464-Y468 PolarHBondContact O-N 2.94Å; Q464-E692 VanDerWaalsContact NE2-CD 3.27Å; Q464-E692 PolarHBondContact NE2-OE2 3.43Å; Q464-R696 VanDerWaalsContact OE1-NH1 3.17Å |
| 465 | M | 57.5 | Low | 61.6 | Low | 56 Ų | 56 | 75.3 Ų | 75.3 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 178.3 | -73.9 | -66.3 | -70.8 | 0 | 0 | 113.1 | M231 L461 E463 K469 | M231-M465 HydrophobicContact CE-CE 3.76Å; M231-M465 HydrophobicContact CE-SD 3.83Å; L461-M465 WeakPolarHBondContact O-CB 3.48Å; L461-M465 WeakPolarHBondContact O-CG 3.23Å; L461-M465 PolarHBondContact O-N 2.81Å; E463-M465 PolarHBondContact O-N 3.34Å; M465-K469 WeakPolarHBondContact O-CB 3.38Å; M465-K469 VanDerWaalsContact O-CG 3.3Å; M465-K469 WeakPolarHBondContact O-CG 3.4Å; M465-K469 PolarHBondContact O-N 3.01Å |
| 466 | S | 60.6 | Low | 62.9 | Low | 61 Ų | 61 | 72.7 Ų | 72.7 | 43% | 0.427 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 174.1 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | R462 E463 Q464 K469 R470 | R462-S466 VanDerWaalsContact O-CB 3.24Å; R462-S466 WeakPolarHBondContact O-CB 3.19Å; R462-S466 PolarHBondContact O-N 3.17Å; E463-S466 PolarHBondContact O-N 2.9Å; Q464-S466 PolarHBondContact O-N 2.92Å; S466-K469 PolarHBondContact O-N 2.84Å; S466-R470 WeakPolarHBondContact O-CB 3.44Å; S466-R470 PolarHBondContact O-N 3.23Å |
| 467 | G | 65 | Low | 64.6 | Low | 36 Ų | 36 | 75.2 Ų | 75.2 | 37% | 0.371 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E463 Q464 R470 M471 | E463-G467 PolarHBondContact O-N 3.3Å; Q464-G467 PolarHBondContact O-N 3.49Å; G467-R470 WeakPolarHBondContact O-CB 3.38Å; G467-R470 PolarHBondContact O-N 2.99Å; G467-M471 PolarHBondContact O-N 3.43Å |
| 468 | Y | 68.9 | Low | 66.2 | Low | 17 Ų | 17 | 77.8 Ų | 77.8 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 176.7 | -173.6 | -98.4 | 0 | 0 | 0 | 112.5 | M231 Q464 R470 M471 R472 Q682 T685 E686 | M231-Y468 HydrophobicContact CE-CD1 3.85Å; M231-Y468 HydrophobicContact CE-CE1 3.79Å; Q464-Y468 PolarHBondContact O-N 2.94Å; Y468-R470 VanDerWaalsContact C-N 3.29Å; Y468-R470 PolarHBondContact O-N 3.38Å; Y468-M471 HydrophobicContact CD2-CE 3.45Å; Y468-M471 VanDerWaalsContact CD2-CE 3.45Å; Y468-M471 HydrophobicContact CE2-CE 3.45Å; Y468-M471 VanDerWaalsContact CE2-CE 3.45Å; Y468-M471 HydrophobicContact CG-CE 4.41Å; Y468-M471 PolarHBondContact O-N 2.82Å; Y468-R472 HydrophobicContact CD1-CG 4.4Å; Y468-R472 HydrophobicContact CE1-CG 3.91Å; Y468-R472 PolarHBondContact O-N 3.27Å; Y468-Q682 HydrophobicContact CE2-CG 4.09Å; Y468-Q682 WeakPolarHBondContact OH-CG 3.28Å; Y468-Q682 PolarHBondContact OH-NE2 3.19Å; Y468-T685 HydrophobicContact CD2-CG2 4.11Å; Y468-E686 HydrophobicContact CE2-CG 3.88Å; Y468-E686 PolarHBondContact OH-OE1 3.06Å |
| 469 | K | 61.8 | Low | 67.9 | Low | 67 Ų | 67 | 76.4 Ų | 76.4 | 29% | 0.291 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.7 | -39.4 | 173.8 | -77.6 | 176.7 | 175 | -175.8 | 0 | 112.2 | M465 S466 R473 | M465-K469 WeakPolarHBondContact O-CB 3.38Å; M465-K469 VanDerWaalsContact O-CG 3.3Å; M465-K469 WeakPolarHBondContact O-CG 3.4Å; M465-K469 PolarHBondContact O-N 3.01Å; S466-K469 PolarHBondContact O-N 2.84Å; K469-R473 WeakPolarHBondContact O-CG 3.42Å; K469-R473 PolarHBondContact O-N 3.46Å; K469-R473 VanDerWaalsContact O-N 3.15Å |
| 470 | R | 71 | Confident | 69.5 | Low | 172 Ų | 172 | 79.7 Ų | 79.7 | 65% | 0.649 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.3 | -45.3 | 176.7 | -170.7 | -172.2 | -55.8 | -171.8 | 4.9 | 111.8 | S466 G467 Y468 R473 Q474 | S466-R470 WeakPolarHBondContact O-CB 3.44Å; S466-R470 PolarHBondContact O-N 3.23Å; G467-R470 WeakPolarHBondContact O-CB 3.38Å; G467-R470 PolarHBondContact O-N 2.99Å; Y468-R470 VanDerWaalsContact C-N 3.29Å; Y468-R470 PolarHBondContact O-N 3.38Å; R470-R473 PolarHBondContact O-N 3.09Å; R470-Q474 WeakPolarHBondContact O-CB 3.35Å; R470-Q474 PolarHBondContact O-N 2.98Å |
| 471 | M | 83.3 | Confident | 71.2 | Confident | 28 Ų | 28 | 79 Ų | 79 | 14% | 0.138 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 177.1 | 170.8 | -88.4 | -80.4 | 0 | 0 | 111.4 | G467 Y468 R473 Q474 H475 Q682 T685 | G467-M471 PolarHBondContact O-N 3.43Å; Y468-M471 HydrophobicContact CD2-CE 3.45Å; Y468-M471 VanDerWaalsContact CD2-CE 3.45Å; Y468-M471 HydrophobicContact CE2-CE 3.45Å; Y468-M471 VanDerWaalsContact CE2-CE 3.45Å; Y468-M471 HydrophobicContact CG-CE 4.41Å; Y468-M471 PolarHBondContact O-N 2.82Å; M471-R473 PolarHBondContact O-N 3.15Å; M471-Q474 CarbonylContact O-C 3.46Å; M471-Q474 WeakPolarHBondContact O-CA 3.3Å; M471-Q474 WeakPolarHBondContact O-CB 3.44Å; M471-Q474 PolarHBondContact O-N 3.38Å; M471-H475 WeakPolarHBondContact CG-NE2 3.38Å; M471-H475 PolarHBondContact O-CD2 2.79Å; M471-H475 PolarHBondContact O-N 2.84Å; M471-H475 PolarHBondContact SD-CE1 3.25Å; M471-Q682 HydrophobicContact CE-CB 4.36Å; M471-Q682 HydrophobicContact CE-CG 4.27Å; M471-Q682 HydrophobicContact SD-CB 4.49Å; M471-T685 HydrophobicContact CE-CG2 3.83Å |
| 472 | R | 78.6 | Confident | 73.1 | Confident | 52 Ų | 52 | 76.5 Ų | 76.5 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 175.5 | -79.5 | -68.3 | -56 | -131.6 | -7.4 | 112.9 | D198 Y468 Q474 H475 Q476 | D198-R472 IonicContact OD1-CZ 3.69Å; D198-R472 IonicContact OD1-NH2 3.13Å; D198-R472 PolarHBondContact OD1-NH2 2.96Å; D198-R472 IonicContact OD2-NH2 2.67Å; D198-R472 PolarHBondContact OD2-NH2 3Å; Y468-R472 HydrophobicContact CD1-CG 4.4Å; Y468-R472 HydrophobicContact CE1-CG 3.91Å; Y468-R472 PolarHBondContact O-N 3.27Å; R472-Q474 VanDerWaalsContact C-N 3.31Å; R472-Q474 PolarHBondContact O-N 3.25Å; R472-H475 WeakPolarHBondContact O-CB 3.28Å; R472-H475 PolarHBondContact O-N 2.86Å; R472-Q476 PolarHBondContact O-N 3.49Å |
| 473 | R | 70.3 | Confident | 74.7 | Confident | 123 Ų | 123 | 76.5 Ų | 76.5 | 46% | 0.464 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 174.1 | -74.5 | 177.1 | 175.6 | 165.8 | 2.8 | 112.8 | S366 K469 R470 M471 K477 | S366-R473 PolarHBondContact OG-NH2 3.42Å; K469-R473 WeakPolarHBondContact O-CG 3.42Å; K469-R473 PolarHBondContact O-N 3.46Å; K469-R473 VanDerWaalsContact O-N 3.15Å; R470-R473 PolarHBondContact O-N 3.09Å; M471-R473 PolarHBondContact O-N 3.15Å; R473-K477 WeakPolarHBondContact O-CB 3.48Å; R473-K477 PolarHBondContact O-N 3.49Å |
| 474 | Q | 75.8 | Confident | 76.1 | Confident | 134 Ų | 134 | 74.1 Ų | 74.1 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.6 | -38.3 | 175.6 | -177.7 | 173.1 | -16.8 | 0 | 0 | 111.9 | R470 M471 R472 K477 H478 | R470-Q474 WeakPolarHBondContact O-CB 3.35Å; R470-Q474 PolarHBondContact O-N 2.98Å; M471-Q474 CarbonylContact O-C 3.46Å; M471-Q474 WeakPolarHBondContact O-CA 3.3Å; M471-Q474 WeakPolarHBondContact O-CB 3.44Å; M471-Q474 PolarHBondContact O-N 3.38Å; R472-Q474 VanDerWaalsContact C-N 3.31Å; R472-Q474 PolarHBondContact O-N 3.25Å; Q474-K477 PolarHBondContact O-N 3.37Å; Q474-H478 WeakPolarHBondContact O-CB 3.41Å; Q474-H478 PolarHBondContact O-N 3.19Å |
| 475 | H | 85.4 | Confident | 77.8 | Confident | 25 Ų | 25 | 78.7 Ų | 78.7 | 12% | 0.116 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 174.7 | -70.2 | -163.4 | 0 | 0 | 0 | 111.2 | M471 R472 K477 H478 L479 L678 T681 | M471-H475 WeakPolarHBondContact CG-NE2 3.38Å; M471-H475 PolarHBondContact O-CD2 2.79Å; M471-H475 PolarHBondContact O-N 2.84Å; M471-H475 PolarHBondContact SD-CE1 3.25Å; R472-H475 WeakPolarHBondContact O-CB 3.28Å; R472-H475 PolarHBondContact O-N 2.86Å; H475-K477 PolarHBondContact O-N 3.32Å; H475-H478 WeakPolarHBondContact O-CB 3.43Å; H475-H478 PolarHBondContact O-N 3.01Å; H475-L479 PolarHBondContact O-N 3.39Å; H475-L678 HydrophobicContact CB-CB 4.32Å; H475-L678 HydrophobicContact CB-CD1 4.14Å; H475-L678 HydrophobicContact CB-CD2 4.04Å; H475-L678 HydrophobicContact CB-CG 4.39Å; H475-L678 PolarHBondContact CE1-O 3.36Å; H475-L678 PolarHBondContact ND1-O 3.48Å; H475-T681 PolarHBondContact CE1-OG1 3.06Å; H475-T681 PolarHBondContact NE2-OG1 3.13Å |
| 476 | Q | 73.9 | Confident | 79.5 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 34% | 0.336 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 175.6 | -172.1 | -175.9 | 22.9 | 0 | 0 | 111.7 | D198 R472 H478 L479 M480 | D198-Q476 PolarHBondContact O-NE2 3.43Å; R472-Q476 PolarHBondContact O-N 3.49Å; Q476-H478 VanDerWaalsContact C-N 3.26Å; Q476-H478 PolarHBondContact O-N 2.92Å; Q476-L479 PolarHBondContact O-N 3.46Å; Q476-M480 WeakPolarHBondContact O-CB 3.4Å; Q476-M480 PolarHBondContact O-N 2.93Å |
| 477 | K | 79.4 | Confident | 81.1 | Confident | 159 Ų | 159 | 79.5 Ų | 79.5 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.9 | -35.2 | 176.7 | -175.8 | 175.7 | 179.4 | 179.4 | 0 | 112.4 | R473 Q474 H475 A481 | R473-K477 WeakPolarHBondContact O-CB 3.48Å; R473-K477 PolarHBondContact O-N 3.49Å; Q474-K477 PolarHBondContact O-N 3.37Å; H475-K477 PolarHBondContact O-N 3.32Å; K477-A481 WeakPolarHBondContact O-CB 3.34Å; K477-A481 PolarHBondContact O-N 3.12Å |
| 478 | H | 84 | Confident | 82.4 | Confident | 102 Ų | 102 | 79.6 Ų | 79.6 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68 | -45.6 | 177.3 | -173.7 | 73.1 | 0 | 0 | 0 | 111.9 | Q474 H475 Q476 A481 L482 | Q474-H478 WeakPolarHBondContact O-CB 3.41Å; Q474-H478 PolarHBondContact O-N 3.19Å; H475-H478 WeakPolarHBondContact O-CB 3.43Å; H475-H478 PolarHBondContact O-N 3.01Å; Q476-H478 VanDerWaalsContact C-N 3.26Å; Q476-H478 PolarHBondContact O-N 2.92Å; H478-A481 PolarHBondContact O-N 3.24Å; H478-L482 WeakPolarHBondContact O-CB 3.4Å; H478-L482 PolarHBondContact O-N 3.25Å |
| 479 | L | 82.6 | Confident | 83.8 | Confident | 37 Ų | 37 | 81.9 Ų | 81.9 | 19% | 0.194 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.3 | -49 | 175.2 | -69.8 | 174.5 | 0 | 0 | 0 | 111.7 | H475 Q476 A481 L482 E483 A674 R675 L678 | H475-L479 PolarHBondContact O-N 3.39Å; Q476-L479 PolarHBondContact O-N 3.46Å; L479-A481 VanDerWaalsContact C-N 3.31Å; L479-A481 PolarHBondContact O-N 3.3Å; L479-L482 WeakPolarHBondContact O-CB 3.46Å; L479-L482 PolarHBondContact O-N 3.26Å; L479-L482 VanDerWaalsContact O-N 3.1Å; L479-E483 WeakPolarHBondContact O-CG 3.18Å; L479-E483 PolarHBondContact O-N 2.95Å; L479-A674 HydrophobicContact CD2-CB 4.05Å; L479-R675 HydrophobicContact CD1-CG 4.04Å; L479-R675 HydrophobicContact CD2-CG 3.69Å; L479-L678 HydrophobicContact CD1-CD1 3.97Å; L479-L678 HydrophobicContact CD2-CD1 3.76Å; L479-L678 HydrophobicContact CG-CD1 3.54Å |
| 480 | M | 79.4 | Confident | 85.4 | Confident | 124 Ų | 124 | 82 Ų | 82 | 61% | 0.611 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.1 | -37.7 | 179.7 | -164.3 | -166.7 | -165.8 | 0 | 0 | 112.2 | Q476 N484 | Q476-M480 WeakPolarHBondContact O-CB 3.4Å; Q476-M480 PolarHBondContact O-N 2.93Å; M480-N484 WeakPolarHBondContact O-CB 3.5Å; M480-N484 PolarHBondContact O-N 3.14Å; M480-N484 VanDerWaalsContact O-N 3.12Å; M480-N484 PolarHBondContact O-ND2 3.18Å |
| 481 | A | 88.9 | Confident | 86.5 | Confident | 59 Ų | 59 | 77.4 Ų | 77.4 | 49% | 0.488 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.9 | -37.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K477 H478 L479 K485 | K477-A481 WeakPolarHBondContact O-CB 3.34Å; K477-A481 PolarHBondContact O-N 3.12Å; H478-A481 PolarHBondContact O-N 3.24Å; L479-A481 VanDerWaalsContact C-N 3.31Å; L479-A481 PolarHBondContact O-N 3.3Å; A481-K485 WeakPolarHBondContact O-CB 3.41Å; A481-K485 PolarHBondContact O-N 3.41Å; A481-K485 VanDerWaalsContact O-N 3.08Å |
| 482 | L | 92.6 | Very high | 87.1 | Confident | 28 Ų | 28 | 81.6 Ų | 81.6 | 15% | 0.147 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.4 | -51.4 | 175.3 | 177.5 | 62.4 | 0 | 0 | 0 | 111.2 | H478 L479 N484 K485 L486 T670 I671 A674 | H478-L482 WeakPolarHBondContact O-CB 3.4Å; H478-L482 PolarHBondContact O-N 3.25Å; L479-L482 WeakPolarHBondContact O-CB 3.46Å; L479-L482 PolarHBondContact O-N 3.26Å; L479-L482 VanDerWaalsContact O-N 3.1Å; L482-N484 VanDerWaalsContact C-N 3.33Å; L482-N484 PolarHBondContact O-N 3.01Å; L482-K485 WeakPolarHBondContact O-CB 3.48Å; L482-K485 PolarHBondContact O-N 3.47Å; L482-L486 HydrophobicContact CD1-CD1 3.86Å; L482-L486 HydrophobicContact CD1-CD2 4.28Å; L482-L486 HydrophobicContact CD1-CG 3.99Å; L482-L486 HydrophobicContact CG-CD1 3.82Å; L482-L486 HydrophobicContact CG-CG 4.34Å; L482-L486 VanDerWaalsContact O-CG 3.27Å; L482-L486 WeakPolarHBondContact O-CG 3.21Å; L482-L486 PolarHBondContact O-N 2.69Å; L482-T670 HydrophobicContact CD1-CG2 4.11Å; L482-T670 HydrophobicContact CD2-CG2 4.34Å; L482-I671 HydrophobicContact CD2-CG1 4.5Å; L482-A674 HydrophobicContact CD2-CB 3.56Å |
| 483 | E | 88.8 | Confident | 88 | Confident | 72 Ų | 72 | 80.3 Ų | 80.3 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | -178.5 | -70.9 | 173 | 167.7 | 0 | 0 | 111.5 | L479 K487 I671 R675 | L479-E483 WeakPolarHBondContact O-CG 3.18Å; L479-E483 PolarHBondContact O-N 2.95Å; E483-K487 WeakPolarHBondContact O-CB 3.37Å; E483-K487 PolarHBondContact O-N 3.18Å; E483-I671 HydrophobicContact CG-CD1 3.96Å; E483-I671 HydrophobicContact CG-CG1 4.14Å; E483-R675 IonicContact OE1-CZ 2.8Å; E483-R675 IonicContact OE1-NE 3.29Å; E483-R675 IonicContact OE1-NH2 3.84Å; E483-R675 PolarHBondContact OE1-NH2 3.49Å |
| 484 | N | 89.4 | Confident | 89.2 | Confident | 99 Ų | 99 | 81.7 Ų | 81.7 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 171 | -80 | -61.6 | 0 | 0 | 0 | 113.3 | M480 L482 K487 G488 | M480-N484 WeakPolarHBondContact O-CB 3.5Å; M480-N484 PolarHBondContact O-N 3.14Å; M480-N484 VanDerWaalsContact O-N 3.12Å; M480-N484 PolarHBondContact O-ND2 3.18Å; L482-N484 VanDerWaalsContact C-N 3.33Å; L482-N484 PolarHBondContact O-N 3.01Å; N484-K487 PolarHBondContact O-N 3.42Å; N484-G488 PolarHBondContact O-N 3.15Å |
| 485 | K | 95.9 | Very high | 90.2 | Very high | 130 Ų | 130 | 81.1 Ų | 81.1 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64.6 | -46.4 | 176.4 | -178.7 | 176.8 | -176.2 | -74.1 | 0 | 111.6 | A481 L482 K487 G488 E489 | A481-K485 WeakPolarHBondContact O-CB 3.41Å; A481-K485 PolarHBondContact O-N 3.41Å; A481-K485 VanDerWaalsContact O-N 3.08Å; L482-K485 WeakPolarHBondContact O-CB 3.48Å; L482-K485 PolarHBondContact O-N 3.47Å; K485-K487 VanDerWaalsContact C-N 3.33Å; K485-K487 PolarHBondContact O-N 2.88Å; K485-G488 PolarHBondContact O-N 3.22Å; K485-E489 IonicContact NZ-OE1 3.18Å; K485-E489 PolarHBondContact NZ-OE1 3.17Å; K485-E489 PolarHBondContact O-N 3.46Å |
| 486 | L | 94.6 | Very high | 90.7 | Very high | 11 Ų | 11 | 84.8 Ų | 84.8 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.3 | -38 | 179.3 | -60.4 | 170.9 | 0 | 0 | 0 | 110.9 | L482 G488 E489 M490 H667 I671 | L482-L486 HydrophobicContact CD1-CD1 3.86Å; L482-L486 HydrophobicContact CD1-CD2 4.28Å; L482-L486 HydrophobicContact CD1-CG 3.99Å; L482-L486 HydrophobicContact CG-CD1 3.82Å; L482-L486 HydrophobicContact CG-CG 4.34Å; L482-L486 VanDerWaalsContact O-CG 3.27Å; L482-L486 WeakPolarHBondContact O-CG 3.21Å; L482-L486 PolarHBondContact O-N 2.69Å; L486-G488 PolarHBondContact O-N 3.05Å; L486-E489 PolarHBondContact O-N 2.81Å; L486-M490 WeakPolarHBondContact O-CB 3.35Å; L486-M490 PolarHBondContact O-N 2.81Å; L486-H667 HydrophobicContact CB-CB 4.44Å; L486-H667 HydrophobicContact CD1-CB 4.36Å; L486-H667 VanDerWaalsContact CD2-CD2 3.4Å; L486-H667 WeakPolarHBondContact CD2-CD2 3.47Å; L486-H667 PolarHBondContact O-CE1 2.6Å; L486-I671 HydrophobicContact CD1-CD1 3.77Å; L486-I671 HydrophobicContact CD1-CG1 3.48Å; L486-I671 VanDerWaalsContact CD1-CG1 3.48Å |
| 487 | K | 92.6 | Very high | 91.8 | Very high | 122 Ų | 122 | 82 Ų | 82 | 53% | 0.53 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 170.4 | -175.9 | 179.6 | 176.5 | -176 | 0 | 112.1 | E483 N484 K485 E489 M490 D491 | E483-K487 WeakPolarHBondContact O-CB 3.37Å; E483-K487 PolarHBondContact O-N 3.18Å; N484-K487 PolarHBondContact O-N 3.42Å; K485-K487 VanDerWaalsContact C-N 3.33Å; K485-K487 PolarHBondContact O-N 2.88Å; K487-E489 PolarHBondContact O-N 3.32Å; K487-M490 HydrophobicContact CG-CE 4.4Å; K487-M490 WeakPolarHBondContact O-CB 3.43Å; K487-M490 PolarHBondContact O-N 3.39Å; K487-D491 PolarHBondContact O-N 3.39Å |
| 488 | G | 94.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 78.1 Ų | 78.1 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N484 K485 L486 M490 D491 E492 | N484-G488 PolarHBondContact O-N 3.15Å; K485-G488 PolarHBondContact O-N 3.22Å; L486-G488 PolarHBondContact O-N 3.05Å; G488-M490 VanDerWaalsContact C-N 3.33Å; G488-M490 PolarHBondContact O-N 3.13Å; G488-D491 PolarHBondContact O-N 3.06Å; G488-E492 WeakPolarHBondContact O-CB 3.48Å; G488-E492 PolarHBondContact O-N 3.06Å |
| 489 | E | 97.1 | Very high | 93.1 | Very high | 65 Ų | 65 | 81 Ų | 81 | 30% | 0.304 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 173.6 | -72.2 | 172.8 | -163.6 | 0 | 0 | 112.5 | K485 L486 K487 H493 H667 | K485-E489 IonicContact NZ-OE1 3.18Å; K485-E489 PolarHBondContact NZ-OE1 3.17Å; K485-E489 PolarHBondContact O-N 3.46Å; L486-E489 PolarHBondContact O-N 2.81Å; K487-E489 PolarHBondContact O-N 3.32Å; E489-H493 WeakPolarHBondContact O-CB 3.35Å; E489-H493 PolarHBondContact O-N 2.9Å; E489-H667 IonicContact OE2-CD2 3.22Å; E489-H667 IonicContact OE2-CE1 3.72Å; E489-H667 IonicContact OE2-NE2 2.82Å; E489-H667 PolarHBondContact OE2-NE2 3.29Å |
| 490 | M | 95.3 | Very high | 93.7 | Very high | 68 Ų | 68 | 83.3 Ų | 83.3 | 34% | 0.335 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 177.9 | -179.5 | -171.8 | 67.5 | 0 | 0 | 111.8 | L486 K487 G488 H493 R494 M660 | L486-M490 WeakPolarHBondContact O-CB 3.35Å; L486-M490 PolarHBondContact O-N 2.81Å; K487-M490 HydrophobicContact CG-CE 4.4Å; K487-M490 WeakPolarHBondContact O-CB 3.43Å; K487-M490 PolarHBondContact O-N 3.39Å; G488-M490 VanDerWaalsContact C-N 3.33Å; G488-M490 PolarHBondContact O-N 3.13Å; M490-H493 PolarHBondContact O-N 3.03Å; M490-R494 WeakPolarHBondContact O-CB 3.44Å; M490-R494 PolarHBondContact O-N 3.2Å; M490-M660 HydrophobicContact CG-SD 4.46Å |
| 491 | D | 94.9 | Very high | 94.4 | Very high | 77 Ų | 77 | 78.2 Ų | 78.2 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 178.3 | -70.7 | -31.6 | 0 | 0 | 0 | 111.2 | K487 G488 R494 L495 | K487-D491 PolarHBondContact O-N 3.39Å; G488-D491 PolarHBondContact O-N 3.06Å; D491-R494 PolarHBondContact O-N 3.17Å; D491-L495 PolarHBondContact O-N 2.65Å |
| 492 | E | 96.5 | Very high | 94.7 | Very high | 115 Ų | 115 | 80 Ų | 80 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 173 | -161.6 | -145.6 | 140.6 | 0 | 0 | 111.8 | G488 L495 R496 | G488-E492 WeakPolarHBondContact O-CB 3.48Å; G488-E492 PolarHBondContact O-N 3.06Å; E492-L495 PolarHBondContact O-N 3.29Å; E492-R496 PolarHBondContact O-N 2.97Å; E492-R496 IonicContact OE1-CZ 2.95Å; E492-R496 IonicContact OE1-NH2 2.87Å; E492-R496 PolarHBondContact OE1-NH2 3.25Å; E492-R496 IonicContact OE2-NH2 3.61Å |
| 493 | H | 96.7 | Very high | 94.9 | Very high | 26 Ų | 26 | 81.9 Ų | 81.9 | 12% | 0.12 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.9 | -168 | -89.8 | 0 | 0 | 0 | 111.2 | E489 M490 L495 R496 L497 S659 L663 | E489-H493 WeakPolarHBondContact O-CB 3.35Å; E489-H493 PolarHBondContact O-N 2.9Å; M490-H493 PolarHBondContact O-N 3.03Å; H493-L495 PolarHBondContact O-N 3.2Å; H493-R496 PolarHBondContact CD2-NH1 3.43Å; H493-R496 VanDerWaalsContact CD2-NH1 3.34Å; H493-R496 VanDerWaalsContact O-CB 3.31Å; H493-R496 WeakPolarHBondContact O-CB 3.46Å; H493-R496 PolarHBondContact O-N 2.87Å; H493-R496 VanDerWaalsContact O-N 3.15Å; H493-L497 WeakPolarHBondContact O-CG 3.28Å; H493-L497 PolarHBondContact O-N 3.1Å; H493-L497 VanDerWaalsContact O-N 3.11Å; H493-S659 PolarHBondContact CE1-OG 2.87Å; H493-S659 PolarHBondContact NE2-OG 3.44Å; H493-L663 HydrophobicContact CB-CD2 3.51Å |
| 494 | R | 95.1 | Very high | 95.2 | Very high | 151 Ų | 151 | 80.3 Ų | 80.3 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.5 | -49.9 | 175.8 | 179.9 | 179.4 | 174.8 | 174 | 2.2 | 111.9 | M490 D491 R496 L497 D498 M660 | M490-R494 WeakPolarHBondContact O-CB 3.44Å; M490-R494 PolarHBondContact O-N 3.2Å; D491-R494 PolarHBondContact O-N 3.17Å; R494-R496 PolarHBondContact O-N 3.05Å; R494-L497 PolarHBondContact O-N 2.79Å; R494-L497 VanDerWaalsContact O-N 3.11Å; R494-D498 IonicContact NE-OD2 2.76Å; R494-D498 PolarHBondContact O-N 3.17Å; R494-M660 HydrophobicContact CB-CE 3.99Å |
| 495 | L | 96.3 | Very high | 95.4 | Very high | 122 Ų | 122 | 81 Ų | 81 | 64% | 0.639 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.8 | -32.9 | 178.7 | -177.5 | 62.7 | 0 | 0 | 0 | 112.4 | D491 E492 H493 K499 | D491-L495 PolarHBondContact O-N 2.65Å; E492-L495 PolarHBondContact O-N 3.29Å; H493-L495 PolarHBondContact O-N 3.2Å; L495-K499 WeakPolarHBondContact O-CB 3.35Å; L495-K499 PolarHBondContact O-N 3.48Å; L495-K499 VanDerWaalsContact O-N 3.14Å |
| 496 | R | 97.1 | Very high | 95.3 | Very high | 103 Ų | 103 | 78.4 Ų | 78.4 | 39% | 0.389 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 174.7 | -158.8 | -178.2 | -55.1 | 115.4 | 0.3 | 111.9 | E492 H493 R494 K499 E500 | E492-R496 PolarHBondContact O-N 2.97Å; E492-R496 IonicContact OE1-CZ 2.95Å; E492-R496 IonicContact OE1-NH2 2.87Å; E492-R496 PolarHBondContact OE1-NH2 3.25Å; E492-R496 IonicContact OE2-NH2 3.61Å; H493-R496 PolarHBondContact CD2-NH1 3.43Å; H493-R496 VanDerWaalsContact CD2-NH1 3.34Å; H493-R496 VanDerWaalsContact O-CB 3.31Å; H493-R496 WeakPolarHBondContact O-CB 3.46Å; H493-R496 PolarHBondContact O-N 2.87Å; H493-R496 VanDerWaalsContact O-N 3.15Å; R494-R496 PolarHBondContact O-N 3.05Å; R496-K499 PolarHBondContact O-N 2.96Å; R496-E500 WeakPolarHBondContact O-CG 3.13Å; R496-E500 PolarHBondContact O-N 3.5Å |
| 497 | L | 95.7 | Very high | 95.4 | Very high | 14 Ų | 14 | 81.8 Ų | 81.8 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 177.6 | -55.7 | -174.6 | 0 | 0 | 0 | 111.9 | H493 R494 K499 E500 L501 H656 M660 | H493-L497 WeakPolarHBondContact O-CG 3.28Å; H493-L497 PolarHBondContact O-N 3.1Å; H493-L497 VanDerWaalsContact O-N 3.11Å; R494-L497 PolarHBondContact O-N 2.79Å; R494-L497 VanDerWaalsContact O-N 3.11Å; L497-K499 VanDerWaalsContact C-N 3.26Å; L497-K499 PolarHBondContact O-N 3.46Å; L497-E500 WeakPolarHBondContact O-CB 3.29Å; L497-E500 PolarHBondContact O-N 2.93Å; L497-E500 VanDerWaalsContact O-N 3.11Å; L497-L501 PolarHBondContact O-N 3.35Å; L497-H656 HydrophobicContact CD1-CB 3.99Å; L497-H656 PolarHBondContact O-CE1 3.46Å; L497-H656 VanDerWaalsContact O-CE1 3.25Å; L497-M660 HydrophobicContact CD1-CE 3.93Å |
| 498 | D | 94.6 | Very high | 95.5 | Very high | 77 Ų | 77 | 77.1 Ų | 77.1 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 177.2 | -72.3 | -29.5 | 0 | 0 | 0 | 111 | R494 L501 E502 | R494-D498 IonicContact NE-OD2 2.76Å; R494-D498 PolarHBondContact O-N 3.17Å; D498-L501 PolarHBondContact O-N 2.94Å; D498-E502 PolarHBondContact O-N 2.93Å |
| 499 | K | 96.6 | Very high | 95.5 | Very high | 162 Ų | 162 | 79.8 Ų | 79.8 | 70% | 0.704 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -69.5 | -33.8 | 175 | -173.2 | 175.9 | -178.9 | 178.2 | 0 | 113.5 | L495 R496 L497 S503 | L495-K499 WeakPolarHBondContact O-CB 3.35Å; L495-K499 PolarHBondContact O-N 3.48Å; L495-K499 VanDerWaalsContact O-N 3.14Å; R496-K499 PolarHBondContact O-N 2.96Å; L497-K499 VanDerWaalsContact C-N 3.26Å; L497-K499 PolarHBondContact O-N 3.46Å; K499-S503 VanDerWaalsContact O-CB 3.32Å; K499-S503 WeakPolarHBondContact O-CB 3.44Å; K499-S503 PolarHBondContact O-N 3.16Å |
| 500 | E | 96.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 81.2 Ų | 81.2 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 173.1 | -75.6 | 172.1 | -163 | 0 | 0 | 111.8 | R496 L497 S503 L504 M652 H656 | R496-E500 WeakPolarHBondContact O-CG 3.13Å; R496-E500 PolarHBondContact O-N 3.5Å; L497-E500 WeakPolarHBondContact O-CB 3.29Å; L497-E500 PolarHBondContact O-N 2.93Å; L497-E500 VanDerWaalsContact O-N 3.11Å; E500-S503 PolarHBondContact O-N 2.82Å; E500-L504 PolarHBondContact O-N 3.29Å; E500-M652 HydrophobicContact CB-CE 4.4Å; E500-H656 IonicContact OE2-CD2 2.68Å; E500-H656 IonicContact OE2-CE1 3.63Å; E500-H656 IonicContact OE2-NE2 3.7Å; E500-H656 PolarHBondContact OE2-NE2 3.09Å |
| 501 | L | 94.1 | Very high | 95.4 | Very high | 17 Ų | 17 | 82 Ų | 82 | 9% | 0.089 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 174.5 | -80 | 161.7 | 0 | 0 | 0 | 111.9 | L497 D498 L504 R505 M652 L653 | L497-L501 PolarHBondContact O-N 3.35Å; D498-L501 PolarHBondContact O-N 2.94Å; L501-L504 PolarHBondContact O-N 3.02Å; L501-R505 WeakPolarHBondContact O-CG 3.3Å; L501-R505 PolarHBondContact O-N 2.82Å; L501-M652 VanDerWaalsContact CA-CE 3.48Å; L501-M652 HydrophobicContact CB-CE 4.31Å; L501-M652 HydrophobicContact CD2-CE 3.7Å; L501-M652 HydrophobicContact CG-CE 3.93Å; L501-L653 HydrophobicContact CD1-CD2 3.85Å; L501-L653 HydrophobicContact CD2-CD2 3.69Å; L501-L653 HydrophobicContact CD2-CG 4.06Å; L501-L653 HydrophobicContact CG-CD2 4.44Å |
| 502 | E | 95.2 | Very high | 95.4 | Very high | 97 Ų | 97 | 79.4 Ų | 79.4 | 45% | 0.453 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | -179.9 | -168.5 | 52.7 | -146.6 | 0 | 0 | 111.8 | D498 L504 R505 N506 | D498-E502 PolarHBondContact O-N 2.93Å; E502-L504 PolarHBondContact O-N 3.34Å; E502-R505 PolarHBondContact O-N 2.69Å; E502-N506 PolarHBondContact O-N 2.79Å; E502-N506 PolarHBondContact O-ND2 3.27Å; E502-N506 PolarHBondContact OE1-ND2 3.21Å |
| 503 | S | 95.9 | Very high | 95.4 | Very high | 66 Ų | 66 | 78.8 Ų | 78.8 | 46% | 0.462 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 172.1 | -176.5 | 0 | 0 | 0 | 0 | 112 | K499 E500 N506 N507 | K499-S503 VanDerWaalsContact O-CB 3.32Å; K499-S503 WeakPolarHBondContact O-CB 3.44Å; K499-S503 PolarHBondContact O-N 3.16Å; E500-S503 PolarHBondContact O-N 2.82Å; S503-N506 PolarHBondContact O-N 2.94Å; S503-N507 PolarHBondContact O-N 3.08Å; S503-N507 PolarHBondContact O-ND2 3.21Å |
| 504 | L | 94.8 | Very high | 95.3 | Very high | 40 Ų | 40 | 83.2 Ų | 83.2 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 179.1 | -172.2 | 69.3 | 0 | 0 | 0 | 112.1 | E500 L501 E502 N506 N507 F508 M652 | E500-L504 PolarHBondContact O-N 3.29Å; L501-L504 PolarHBondContact O-N 3.02Å; E502-L504 PolarHBondContact O-N 3.34Å; L504-N506 PolarHBondContact O-N 2.89Å; L504-N507 PolarHBondContact O-N 2.79Å; L504-F508 HydrophobicContact CD1-CD1 4.37Å; L504-F508 HydrophobicContact CD1-CE1 3.64Å; L504-F508 HydrophobicContact CD1-CE2 4.18Å; L504-F508 HydrophobicContact CD1-CZ 3.52Å; L504-F508 HydrophobicContact CD2-CE2 3.74Å; L504-F508 HydrophobicContact CD2-CZ 3.69Å; L504-F508 HydrophobicContact CG-CD2 4.2Å; L504-F508 HydrophobicContact CG-CE1 3.99Å; L504-F508 HydrophobicContact CG-CE2 3.61Å; L504-F508 HydrophobicContact CG-CZ 3.49Å; L504-F508 VanDerWaalsContact CG-CZ 3.49Å; L504-F508 WeakPolarHBondContact O-CG 3.1Å; L504-F508 PolarHBondContact O-N 3.4Å; L504-M652 HydrophobicContact CB-CE 3.74Å; L504-M652 HydrophobicContact CD2-CB 4.36Å; L504-M652 HydrophobicContact CD2-CE 3.53Å; L504-M652 HydrophobicContact CD2-SD 3.93Å; L504-M652 HydrophobicContact CG-CE 4.25Å |
| 505 | R | 93.6 | Very high | 95.3 | Very high | 113 Ų | 113 | 77 Ų | 77 | 43% | 0.426 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 177.9 | -74.5 | 173.5 | 172.4 | 167 | -0.1 | 113 | L501 E502 F508 T509 E649 | L501-R505 WeakPolarHBondContact O-CG 3.3Å; L501-R505 PolarHBondContact O-N 2.82Å; E502-R505 PolarHBondContact O-N 2.69Å; R505-F508 PolarHBondContact O-N 3.1Å; R505-T509 WeakPolarHBondContact O-CB 3.4Å; R505-T509 PolarHBondContact O-N 2.76Å; R505-T509 PolarHBondContact O-OG1 3.47Å; R505-E649 IonicContact CZ-OE1 2.76Å; R505-E649 IonicContact NE-OE1 3.78Å; R505-E649 PolarHBondContact NE-OE1 2.96Å; R505-E649 IonicContact NH2-OE1 3.65Å; R505-E649 PolarHBondContact NH2-OE1 3.43Å |
| 506 | N | 95.1 | Very high | 95.2 | Very high | 76 Ų | 76 | 74.9 Ų | 74.9 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 175.9 | -80.2 | -78.2 | 0 | 0 | 0 | 111.6 | E502 S503 L504 T509 Q510 | E502-N506 PolarHBondContact O-N 2.79Å; E502-N506 PolarHBondContact O-ND2 3.27Å; E502-N506 PolarHBondContact OE1-ND2 3.21Å; S503-N506 PolarHBondContact O-N 2.94Å; L504-N506 PolarHBondContact O-N 2.89Å; N506-T509 PolarHBondContact O-N 2.87Å; N506-Q510 WeakPolarHBondContact O-CG 3.44Å; N506-Q510 PolarHBondContact O-N 3.24Å; N506-Q510 VanDerWaalsContact O-N 3.11Å |
| 507 | N | 95.5 | Very high | 95.1 | Very high | 81 Ų | 81 | 75.5 Ų | 75.5 | 43% | 0.433 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 173.8 | -72.2 | -48.7 | 0 | 0 | 0 | 112 | S503 L504 T509 Q510 E511 | S503-N507 PolarHBondContact O-N 3.08Å; S503-N507 PolarHBondContact O-ND2 3.21Å; L504-N507 PolarHBondContact O-N 2.79Å; N507-T509 VanDerWaalsContact C-N 3.34Å; N507-T509 PolarHBondContact O-N 2.95Å; N507-Q510 PolarHBondContact O-N 3.45Å; N507-E511 WeakPolarHBondContact O-CG 3.49Å; N507-E511 PolarHBondContact O-N 3.29Å |
| 508 | F | 95.9 | Very high | 95.1 | Very high | 25 Ų | 25 | 80 Ų | 80 | 11% | 0.11 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.7 | -70.3 | -14.1 | 0 | 0 | 0 | 113.1 | L504 R505 Q510 E511 M512 Q645 L648 E649 | L504-F508 HydrophobicContact CD1-CD1 4.37Å; L504-F508 HydrophobicContact CD1-CE1 3.64Å; L504-F508 HydrophobicContact CD1-CE2 4.18Å; L504-F508 HydrophobicContact CD1-CZ 3.52Å; L504-F508 HydrophobicContact CD2-CE2 3.74Å; L504-F508 HydrophobicContact CD2-CZ 3.69Å; L504-F508 HydrophobicContact CG-CD2 4.2Å; L504-F508 HydrophobicContact CG-CE1 3.99Å; L504-F508 HydrophobicContact CG-CE2 3.61Å; L504-F508 HydrophobicContact CG-CZ 3.49Å; L504-F508 VanDerWaalsContact CG-CZ 3.49Å; L504-F508 WeakPolarHBondContact O-CG 3.1Å; L504-F508 PolarHBondContact O-N 3.4Å; R505-F508 PolarHBondContact O-N 3.1Å; F508-Q510 PolarHBondContact O-N 3.01Å; F508-E511 PolarHBondContact O-N 2.95Å; F508-M512 WeakPolarHBondContact O-CB 3.44Å; F508-M512 PolarHBondContact O-N 2.92Å; F508-Q645 HydrophobicContact CB-CG 4.16Å; F508-Q645 HydrophobicContact CD1-CB 4.4Å; F508-Q645 HydrophobicContact CD1-CG 3.81Å; F508-Q645 HydrophobicContact CD2-CB 3.84Å; F508-Q645 HydrophobicContact CD2-CG 4.12Å; F508-Q645 HydrophobicContact CE1-CG 4.18Å; F508-Q645 HydrophobicContact CE2-CB 4.04Å; F508-Q645 HydrophobicContact CE2-CG 4.47Å; F508-Q645 WeakPolarHBondContact CE2-O 3.43Å; F508-Q645 HydrophobicContact CG-CB 4.03Å; F508-Q645 HydrophobicContact CG-CG 3.77Å; F508-Q645 HydrophobicContact CZ-CB 4.4Å; F508-Q645 HydrophobicContact CZ-CG 4.5Å; F508-Q645 PolarHBondContact O-NE2 2.88Å; F508-L648 HydrophobicContact CE1-CD1 4.21Å; F508-L648 HydrophobicContact CE2-CB 4.38Å; F508-L648 HydrophobicContact CZ-CB 3.66Å; F508-L648 HydrophobicContact CZ-CD1 4.08Å; F508-E649 HydrophobicContact CE2-CB 4.41Å |
| 509 | T | 94.4 | Very high | 95.1 | Very high | 95 Ų | 95 | 77 Ų | 77 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.5 | -46.7 | 175.8 | -57.4 | 0 | 0 | 0 | 0 | 111 | R505 N506 N507 M512 E513 | R505-T509 WeakPolarHBondContact O-CB 3.4Å; R505-T509 PolarHBondContact O-N 2.76Å; R505-T509 PolarHBondContact O-OG1 3.47Å; N506-T509 PolarHBondContact O-N 2.87Å; N507-T509 VanDerWaalsContact C-N 3.34Å; N507-T509 PolarHBondContact O-N 2.95Å; T509-M512 PolarHBondContact O-N 2.82Å; T509-E513 PolarHBondContact O-N 3.22Å |
| 510 | Q | 95.3 | Very high | 95 | Very high | 95 Ų | 95 | 75.1 Ų | 75.1 | 44% | 0.444 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 177.2 | -69.9 | 178.8 | 39 | 0 | 0 | 113.4 | N506 N507 F508 M512 K514 | N506-Q510 WeakPolarHBondContact O-CG 3.44Å; N506-Q510 PolarHBondContact O-N 3.24Å; N506-Q510 VanDerWaalsContact O-N 3.11Å; N507-Q510 PolarHBondContact O-N 3.45Å; F508-Q510 PolarHBondContact O-N 3.01Å; Q510-M512 VanDerWaalsContact C-N 3.33Å; Q510-K514 WeakPolarHBondContact O-CB 3.36Å; Q510-K514 VanDerWaalsContact O-CD 3.26Å; Q510-K514 WeakPolarHBondContact O-CD 3.38Å; Q510-K514 WeakPolarHBondContact O-CG 3.35Å; Q510-K514 PolarHBondContact O-N 3.24Å; Q510-K514 VanDerWaalsContact O-N 3.09Å |
| 511 | E | 94.9 | Very high | 94.8 | Very high | 83 Ų | 83 | 73.9 Ų | 73.9 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.5 | -74.7 | -169.6 | 151.2 | 0 | 0 | 111.9 | N507 F508 K514 L515 K641 | N507-E511 WeakPolarHBondContact O-CG 3.49Å; N507-E511 PolarHBondContact O-N 3.29Å; F508-E511 PolarHBondContact O-N 2.95Å; E511-K514 PolarHBondContact O-N 2.96Å; E511-L515 PolarHBondContact O-N 2.9Å; E511-K641 IonicContact OE1-NZ 3.12Å; E511-K641 WeakPolarHBondContact OE2-CE 3.49Å; E511-K641 IonicContact OE2-NZ 2.73Å; E511-K641 PolarHBondContact OE2-NZ 3.01Å |
| 512 | M | 94.7 | Very high | 94.6 | Very high | 23 Ų | 23 | 74.5 Ų | 74.5 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.8 | -41.9 | -179.8 | -165.4 | 62.5 | 169.3 | 0 | 0 | 111.5 | F508 T509 Q510 K514 L515 L516 E638 K641 R642 | F508-M512 WeakPolarHBondContact O-CB 3.44Å; F508-M512 PolarHBondContact O-N 2.92Å; T509-M512 PolarHBondContact O-N 2.82Å; Q510-M512 VanDerWaalsContact C-N 3.33Å; M512-K514 VanDerWaalsContact C-N 3.34Å; M512-K514 PolarHBondContact O-N 3.43Å; M512-L515 PolarHBondContact O-N 3.03Å; M512-L515 HydrophobicContact SD-CD2 4.35Å; M512-L516 HydrophobicContact CG-CD1 4.42Å; M512-L516 WeakPolarHBondContact O-CG 3.29Å; M512-L516 PolarHBondContact O-N 3.15Å; M512-E638 HydrophobicContact CE-CG 3.39Å; M512-K641 HydrophobicContact SD-CG 4.26Å; M512-R642 HydrophobicContact CE-CG 3.52Å |
| 513 | E | 95.3 | Very high | 94.3 | Very high | 102 Ų | 102 | 72.4 Ų | 72.4 | 48% | 0.477 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 174.9 | -158.2 | -148.8 | -168.2 | 0 | 0 | 111.9 | T509 L516 K517 | T509-E513 PolarHBondContact O-N 3.22Å; E513-L516 PolarHBondContact O-N 3.34Å; E513-K517 VanDerWaalsContact CD-CE 3.46Å; E513-K517 HydrophobicContact CG-CD 4.46Å; E513-K517 WeakPolarHBondContact O-CB 3.27Å; E513-K517 VanDerWaalsContact O-CG 3.3Å; E513-K517 WeakPolarHBondContact O-CG 3.33Å; E513-K517 PolarHBondContact O-N 3.08Å; E513-K517 VanDerWaalsContact OE1-CE 3.24Å; E513-K517 WeakPolarHBondContact OE1-CE 3.48Å; E513-K517 IonicContact OE1-NZ 3.39Å; E513-K517 PolarHBondContact OE1-NZ 3.42Å; E513-K517 IonicContact OE2-NZ 3.66Å; E513-K517 PolarHBondContact OE2-NZ 3.05Å |
| 514 | K | 95.6 | Very high | 94.1 | Very high | 120 Ų | 120 | 73.2 Ų | 73.2 | 52% | 0.522 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 173.6 | -69.8 | 160.6 | -165.5 | 164.8 | 0 | 111.7 | Q510 E511 M512 K518 | Q510-K514 WeakPolarHBondContact O-CB 3.36Å; Q510-K514 VanDerWaalsContact O-CD 3.26Å; Q510-K514 WeakPolarHBondContact O-CD 3.38Å; Q510-K514 WeakPolarHBondContact O-CG 3.35Å; Q510-K514 PolarHBondContact O-N 3.24Å; Q510-K514 VanDerWaalsContact O-N 3.09Å; E511-K514 PolarHBondContact O-N 2.96Å; M512-K514 VanDerWaalsContact C-N 3.34Å; M512-K514 PolarHBondContact O-N 3.43Å; K514-K518 WeakPolarHBondContact O-CB 3.19Å; K514-K518 PolarHBondContact O-N 2.93Å |
| 515 | L | 95.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 77.9 Ų | 77.9 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 177 | -177 | 60.2 | 0 | 0 | 0 | 111.9 | E511 M512 K517 K518 H519 E637 K641 | E511-L515 PolarHBondContact O-N 2.9Å; M512-L515 PolarHBondContact O-N 3.03Å; M512-L515 HydrophobicContact SD-CD2 4.35Å; L515-K517 VanDerWaalsContact C-N 3.35Å; L515-K517 PolarHBondContact O-N 2.86Å; L515-K518 HydrophobicContact CD1-CD 4.03Å; L515-K518 WeakPolarHBondContact O-CB 3.44Å; L515-K518 PolarHBondContact O-N 3.39Å; L515-H519 WeakPolarHBondContact CD1-NE2 3.38Å; L515-H519 PolarHBondContact O-CD2 3.26Å; L515-H519 PolarHBondContact O-N 3.3Å; L515-E637 HydrophobicContact CD1-CG 4.14Å; L515-K641 HydrophobicContact CD2-CB 3.68Å; L515-K641 HydrophobicContact CD2-CG 3.82Å |
| 516 | L | 94.4 | Very high | 93.7 | Very high | 77 Ų | 77 | 74.5 Ų | 74.5 | 40% | 0.403 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 177.9 | -68.3 | 170.4 | 0 | 0 | 0 | 111.9 | M512 E513 H519 Q520 E638 | M512-L516 HydrophobicContact CG-CD1 4.42Å; M512-L516 WeakPolarHBondContact O-CG 3.29Å; M512-L516 PolarHBondContact O-N 3.15Å; E513-L516 PolarHBondContact O-N 3.34Å; L516-H519 PolarHBondContact O-N 2.96Å; L516-Q520 PolarHBondContact O-N 2.97Å; L516-E638 HydrophobicContact CD2-CG 4.43Å |
| 517 | K | 95.2 | Very high | 93.4 | Very high | 116 Ų | 116 | 75.3 Ų | 75.3 | 50% | 0.504 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 173 | -73.2 | 169.5 | -178.1 | 171 | 0 | 112.3 | E513 L515 A521 | E513-K517 VanDerWaalsContact CD-CE 3.46Å; E513-K517 HydrophobicContact CG-CD 4.46Å; E513-K517 WeakPolarHBondContact O-CB 3.27Å; E513-K517 VanDerWaalsContact O-CG 3.3Å; E513-K517 WeakPolarHBondContact O-CG 3.33Å; E513-K517 PolarHBondContact O-N 3.08Å; E513-K517 VanDerWaalsContact OE1-CE 3.24Å; E513-K517 WeakPolarHBondContact OE1-CE 3.48Å; E513-K517 IonicContact OE1-NZ 3.39Å; E513-K517 PolarHBondContact OE1-NZ 3.42Å; E513-K517 IonicContact OE2-NZ 3.66Å; E513-K517 PolarHBondContact OE2-NZ 3.05Å; L515-K517 VanDerWaalsContact C-N 3.35Å; L515-K517 PolarHBondContact O-N 2.86Å; K517-A521 WeakPolarHBondContact O-CB 3.39Å; K517-A521 PolarHBondContact O-N 3.1Å |
| 518 | K | 95.2 | Very high | 93.1 | Very high | 110 Ų | 110 | 77.2 Ų | 77.2 | 48% | 0.478 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 172.4 | 174.7 | -150.9 | 174.7 | -155.3 | 0 | 111.3 | K514 L515 A521 A522 E637 | K514-K518 WeakPolarHBondContact O-CB 3.19Å; K514-K518 PolarHBondContact O-N 2.93Å; L515-K518 HydrophobicContact CD1-CD 4.03Å; L515-K518 WeakPolarHBondContact O-CB 3.44Å; L515-K518 PolarHBondContact O-N 3.39Å; K518-A521 PolarHBondContact O-N 3.04Å; K518-A522 PolarHBondContact O-N 2.96Å; K518-E637 IonicContact NZ-OE1 3.45Å; K518-E637 PolarHBondContact NZ-OE1 2.95Å; K518-E637 IonicContact NZ-OE2 3.98Å; K518-E637 PolarHBondContact NZ-OE2 2.8Å |
| 519 | H | 94.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 78.6 Ų | 78.6 | 6% | 0.06 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 179 | -70.1 | -174.2 | 0 | 0 | 0 | 112.4 | L515 L516 A521 A522 L523 L634 E637 | L515-H519 WeakPolarHBondContact CD1-NE2 3.38Å; L515-H519 PolarHBondContact O-CD2 3.26Å; L515-H519 PolarHBondContact O-N 3.3Å; L516-H519 PolarHBondContact O-N 2.96Å; H519-A521 PolarHBondContact O-N 3.3Å; H519-A522 WeakPolarHBondContact O-CB 3.37Å; H519-A522 PolarHBondContact O-N 3.28Å; H519-L523 PolarHBondContact O-N 3.01Å; H519-L634 HydrophobicContact CB-CD1 4.44Å; H519-L634 HydrophobicContact CB-CD2 4.31Å; H519-L634 VanDerWaalsContact CD2-CD2 3.43Å; H519-L634 WeakPolarHBondContact CD2-CD2 3.37Å; H519-L634 PolarHBondContact CE1-O 2.73Å; H519-E637 IonicContact CD2-OE2 3.9Å; H519-E637 IonicContact CE1-OE2 3.16Å; H519-E637 IonicContact NE2-OE2 3.26Å; H519-E637 PolarHBondContact NE2-OE2 3.1Å |
| 520 | Q | 93.1 | Very high | 92.6 | Very high | 123 Ų | 123 | 76 Ų | 76 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 176.9 | -176.5 | 172.5 | -15 | 0 | 0 | 111.8 | L516 A522 L523 E524 | L516-Q520 PolarHBondContact O-N 2.97Å; Q520-A522 VanDerWaalsContact C-N 3.3Å; Q520-A522 PolarHBondContact O-N 3.35Å; Q520-L523 PolarHBondContact O-N 3.03Å; Q520-E524 PolarHBondContact O-N 2.99Å |
| 521 | A | 92.9 | Very high | 92.2 | Very high | 59 Ų | 59 | 73.6 Ų | 73.6 | 49% | 0.488 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.1 | -34 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | K517 K518 H519 K525 | K517-A521 WeakPolarHBondContact O-CB 3.39Å; K517-A521 PolarHBondContact O-N 3.1Å; K518-A521 PolarHBondContact O-N 3.04Å; H519-A521 PolarHBondContact O-N 3.3Å; A521-K525 WeakPolarHBondContact O-CB 3.42Å; A521-K525 PolarHBondContact O-N 2.82Å |
| 522 | A | 90.4 | Very high | 92 | Very high | 31 Ų | 31 | 73.7 Ų | 73.7 | 26% | 0.256 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.2 | -50.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K518 H519 Q520 E524 K525 D526 | K518-A522 PolarHBondContact O-N 2.96Å; H519-A522 WeakPolarHBondContact O-CB 3.37Å; H519-A522 PolarHBondContact O-N 3.28Å; Q520-A522 VanDerWaalsContact C-N 3.3Å; Q520-A522 PolarHBondContact O-N 3.35Å; A522-E524 VanDerWaalsContact C-N 3.32Å; A522-E524 PolarHBondContact O-N 3.04Å; A522-K525 WeakPolarHBondContact O-CB 3.16Å; A522-K525 PolarHBondContact O-N 3.48Å; A522-K525 VanDerWaalsContact O-N 3.09Å; A522-D526 PolarHBondContact O-N 3.14Å |
| 523 | L | 89.2 | Confident | 91.7 | Very high | 52 Ų | 52 | 75 Ų | 75 | 27% | 0.272 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 177.9 | -69.6 | 170.6 | 0 | 0 | 0 | 112.2 | H519 Q520 D526 L527 V630 E631 L634 | H519-L523 PolarHBondContact O-N 3.01Å; Q520-L523 PolarHBondContact O-N 3.03Å; L523-D526 PolarHBondContact O-N 3.24Å; L523-L527 WeakPolarHBondContact O-CB 3.17Å; L523-L527 VanDerWaalsContact O-CG 3.26Å; L523-L527 WeakPolarHBondContact O-CG 3.37Å; L523-L527 PolarHBondContact O-N 2.94Å; L523-V630 HydrophobicContact CD2-CG1 4.19Å; L523-E631 HydrophobicContact CD2-CG 3.99Å; L523-L634 HydrophobicContact CD1-CD1 4.1Å; L523-L634 HydrophobicContact CD2-CD1 3.8Å; L523-L634 HydrophobicContact CG-CD1 3.7Å |
| 524 | E | 90.8 | Very high | 91.3 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 173.7 | -83.9 | -166.2 | -138.1 | 0 | 0 | 113.5 | Q520 A522 K528 | Q520-E524 PolarHBondContact O-N 2.99Å; A522-E524 VanDerWaalsContact C-N 3.32Å; A522-E524 PolarHBondContact O-N 3.04Å; E524-K528 WeakPolarHBondContact O-CB 3.44Å; E524-K528 VanDerWaalsContact O-CD 3.25Å; E524-K528 WeakPolarHBondContact O-CD 3.4Å; E524-K528 WeakPolarHBondContact O-CG 3.27Å; E524-K528 PolarHBondContact O-N 2.83Å; E524-K528 VanDerWaalsContact O-N 3.12Å; E524-K528 IonicContact OE2-NZ 2.74Å; E524-K528 PolarHBondContact OE2-NZ 2.93Å |
| 525 | K | 91.2 | Very high | 91 | Very high | 139 Ų | 139 | 72.8 Ų | 72.8 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.2 | -42.6 | 177.3 | -179.8 | -166 | 171.4 | -162.3 | 0 | 110.9 | A521 A522 K528 T529 | A521-K525 WeakPolarHBondContact O-CB 3.42Å; A521-K525 PolarHBondContact O-N 2.82Å; A522-K525 WeakPolarHBondContact O-CB 3.16Å; A522-K525 PolarHBondContact O-N 3.48Å; A522-K525 VanDerWaalsContact O-N 3.09Å; K525-K528 PolarHBondContact O-N 3.39Å; K525-T529 WeakPolarHBondContact O-CB 3.34Å; K525-T529 PolarHBondContact O-N 2.76Å; K525-T529 PolarHBondContact O-OG1 2.99Å |
| 526 | D | 88.8 | Confident | 90.8 | Very high | 41 Ų | 41 | 77.9 Ų | 77.9 | 22% | 0.219 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.6 | -42.7 | -178.4 | -69.1 | -6.6 | 0 | 0 | 0 | 110.7 | A522 L523 K528 T529 F530 | A522-D526 PolarHBondContact O-N 3.14Å; L523-D526 PolarHBondContact O-N 3.24Å; D526-K528 VanDerWaalsContact C-N 3.33Å; D526-K528 PolarHBondContact O-N 2.71Å; D526-T529 WeakPolarHBondContact O-CB 3.45Å; D526-T529 PolarHBondContact O-N 2.82Å; D526-F530 HydrophobicContact CB-CD2 4.46Å; D526-F530 HydrophobicContact CB-CE2 3.88Å; D526-F530 HydrophobicContact CB-CZ 4.07Å; D526-F530 WeakPolarHBondContact O-CB 3.23Å; D526-F530 WeakPolarHBondContact O-CD2 3.26Å; D526-F530 WeakPolarHBondContact O-CG 3.26Å; D526-F530 PolarHBondContact O-N 3.01Å |
| 527 | L | 88.5 | Confident | 90.5 | Very high | 93 Ų | 93 | 76.5 Ų | 76.5 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.2 | -44.8 | 170.8 | -74.2 | 168.5 | 0 | 0 | 0 | 112.5 | L523 T529 A531 | L523-L527 WeakPolarHBondContact O-CB 3.17Å; L523-L527 VanDerWaalsContact O-CG 3.26Å; L523-L527 WeakPolarHBondContact O-CG 3.37Å; L523-L527 PolarHBondContact O-N 2.94Å; L527-T529 VanDerWaalsContact C-N 3.32Å; L527-T529 PolarHBondContact O-N 2.83Å; L527-A531 WeakPolarHBondContact O-CB 3.42Å; L527-A531 PolarHBondContact O-N 3.48Å; L527-A531 VanDerWaalsContact O-N 3.1Å |
| 528 | K | 90.6 | Very high | 90.2 | Very high | 121 Ų | 121 | 73.5 Ų | 73.5 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66 | -33.9 | 176.2 | -69.7 | 160.6 | -165.1 | 162.1 | 0 | 111.9 | E524 K525 D526 N532 | E524-K528 WeakPolarHBondContact O-CB 3.44Å; E524-K528 VanDerWaalsContact O-CD 3.25Å; E524-K528 WeakPolarHBondContact O-CD 3.4Å; E524-K528 WeakPolarHBondContact O-CG 3.27Å; E524-K528 PolarHBondContact O-N 2.83Å; E524-K528 VanDerWaalsContact O-N 3.12Å; E524-K528 IonicContact OE2-NZ 2.74Å; E524-K528 PolarHBondContact OE2-NZ 2.93Å; K525-K528 PolarHBondContact O-N 3.39Å; D526-K528 VanDerWaalsContact C-N 3.33Å; D526-K528 PolarHBondContact O-N 2.71Å; K528-N532 PolarHBondContact O-N 3Å; K528-N532 PolarHBondContact O-ND2 2.81Å; K528-N532 VanDerWaalsContact O-ND2 3.13Å |
| 529 | T | 89.6 | Confident | 89.9 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 34% | 0.337 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.7 | -52.2 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | K525 D526 L527 A531 N532 D533 | K525-T529 WeakPolarHBondContact O-CB 3.34Å; K525-T529 PolarHBondContact O-N 2.76Å; K525-T529 PolarHBondContact O-OG1 2.99Å; D526-T529 WeakPolarHBondContact O-CB 3.45Å; D526-T529 PolarHBondContact O-N 2.82Å; L527-T529 VanDerWaalsContact C-N 3.32Å; L527-T529 PolarHBondContact O-N 2.83Å; T529-A531 VanDerWaalsContact C-N 3.31Å; T529-A531 PolarHBondContact O-N 3.08Å; T529-N532 WeakPolarHBondContact O-CB 3.32Å; T529-N532 PolarHBondContact O-N 3.21Å; T529-D533 PolarHBondContact O-N 2.78Å |
| 530 | F | 88.4 | Confident | 89.8 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 17% | 0.171 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 178.1 | -58.8 | -33.3 | 0 | 0 | 0 | 112.8 | D526 N532 D533 E534 I623 R627 | D526-F530 HydrophobicContact CB-CD2 4.46Å; D526-F530 HydrophobicContact CB-CE2 3.88Å; D526-F530 HydrophobicContact CB-CZ 4.07Å; D526-F530 WeakPolarHBondContact O-CB 3.23Å; D526-F530 WeakPolarHBondContact O-CD2 3.26Å; D526-F530 WeakPolarHBondContact O-CG 3.26Å; D526-F530 PolarHBondContact O-N 3.01Å; F530-N532 VanDerWaalsContact C-N 3.26Å; F530-N532 PolarHBondContact O-N 2.88Å; F530-D533 PolarHBondContact O-N 2.9Å; F530-E534 PolarHBondContact O-N 2.83Å; F530-I623 HydrophobicContact CB-CD1 4.44Å; F530-I623 HydrophobicContact CB-CG2 3.76Å; F530-I623 HydrophobicContact CD1-CD1 3.71Å; F530-I623 HydrophobicContact CD1-CG2 4.21Å; F530-I623 HydrophobicContact CD2-CG2 3.63Å; F530-I623 HydrophobicContact CE1-CD1 4.19Å; F530-I623 HydrophobicContact CE2-CG2 4.24Å; F530-I623 HydrophobicContact CG-CD1 4.17Å; F530-I623 HydrophobicContact CG-CG2 3.61Å; F530-R627 HydrophobicContact CE2-CB 4.25Å |
| 531 | A | 87.5 | Confident | 89.6 | Confident | 46 Ų | 46 | 74 Ų | 74 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.2 | -24 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L527 T529 K535 | L527-A531 WeakPolarHBondContact O-CB 3.42Å; L527-A531 PolarHBondContact O-N 3.48Å; L527-A531 VanDerWaalsContact O-N 3.1Å; T529-A531 VanDerWaalsContact C-N 3.31Å; T529-A531 PolarHBondContact O-N 3.08Å; A531-K535 WeakPolarHBondContact O-CD 3.41Å; A531-K535 WeakPolarHBondContact O-CG 3.46Å |
| 532 | N | 90.1 | Very high | 89.4 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -83.4 | -37.6 | 172.5 | -74.7 | -30.4 | 0 | 0 | 0 | 111.6 | K528 T529 F530 K535 K536 | K528-N532 PolarHBondContact O-N 3Å; K528-N532 PolarHBondContact O-ND2 2.81Å; K528-N532 VanDerWaalsContact O-ND2 3.13Å; T529-N532 WeakPolarHBondContact O-CB 3.32Å; T529-N532 PolarHBondContact O-N 3.21Å; F530-N532 VanDerWaalsContact C-N 3.26Å; F530-N532 PolarHBondContact O-N 2.88Å; N532-K535 PolarHBondContact O-N 3.5Å; N532-K536 WeakPolarHBondContact O-CG 3.4Å; N532-K536 PolarHBondContact O-N 2.85Å; N532-K536 VanDerWaalsContact O-N 3.09Å |
| 533 | D | 88.5 | Confident | 89.4 | Confident | 51 Ų | 51 | 79.1 Ų | 79.1 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.1 | -31.4 | 178.8 | -66.5 | -27.3 | 0 | 0 | 0 | 112.6 | T529 F530 K535 K536 F537 F619 | T529-D533 PolarHBondContact O-N 2.78Å; F530-D533 PolarHBondContact O-N 2.9Å; D533-K535 VanDerWaalsContact C-N 3.32Å; D533-K535 PolarHBondContact O-N 2.66Å; D533-K536 PolarHBondContact O-N 3.09Å; D533-K536 WeakPolarHBondContact OD1-CD 3.42Å; D533-K536 WeakPolarHBondContact OD1-CE 3.4Å; D533-K536 IonicContact OD1-NZ 4Å; D533-K536 PolarHBondContact OD1-NZ 2.93Å; D533-F537 VanDerWaalsContact O-CB 3.31Å; D533-F537 WeakPolarHBondContact O-CB 3.47Å; D533-F537 PolarHBondContact O-N 3.3Å; D533-F619 HydrophobicContact CB-CZ 4.18Å |
| 534 | E | 87.6 | Confident | 89.4 | Confident | 46 Ų | 46 | 80.4 Ų | 80.4 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.6 | -45.9 | 167.6 | -177.1 | -177.5 | 154.4 | 0 | 0 | 111.3 | F530 F537 Q538 F619 K620 | F530-E534 PolarHBondContact O-N 2.83Å; E534-F537 PolarHBondContact O-N 2.64Å; E534-Q538 WeakPolarHBondContact O-CB 3.45Å; E534-Q538 WeakPolarHBondContact O-CG 3.49Å; E534-Q538 PolarHBondContact O-N 2.79Å; E534-Q538 PolarHBondContact OE1-NE2 3.06Å; E534-F619 HydrophobicContact CB-CD1 4.33Å; E534-F619 HydrophobicContact CB-CE1 3.85Å; E534-F619 HydrophobicContact CG-CD1 4.46Å; E534-F619 HydrophobicContact CG-CE1 4.47Å; E534-K620 WeakPolarHBondContact OE1-CE 3.17Å; E534-K620 IonicContact OE1-NZ 3.19Å; E534-K620 PolarHBondContact OE1-NZ 3.4Å; E534-K620 WeakPolarHBondContact OE2-CE 3.44Å; E534-K620 IonicContact OE2-NZ 3.98Å; E534-K620 PolarHBondContact OE2-NZ 3Å |
| 535 | K | 89.6 | Confident | 89.4 | Confident | 129 Ų | 129 | 77.4 Ų | 77.4 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 179 | -68.2 | 169.7 | -174.2 | 171.4 | 0 | 111.7 | A531 N532 D533 F537 Q538 Q539 | A531-K535 WeakPolarHBondContact O-CD 3.41Å; A531-K535 WeakPolarHBondContact O-CG 3.46Å; N532-K535 PolarHBondContact O-N 3.5Å; D533-K535 VanDerWaalsContact C-N 3.32Å; D533-K535 PolarHBondContact O-N 2.66Å; K535-F537 VanDerWaalsContact C-N 3.33Å; K535-F537 PolarHBondContact O-N 2.87Å; K535-Q538 PolarHBondContact O-N 2.89Å; K535-Q539 VanDerWaalsContact O-CB 3.28Å; K535-Q539 WeakPolarHBondContact O-CB 3.48Å; K535-Q539 PolarHBondContact O-N 3.49Å |
| 536 | K | 89.8 | Confident | 89.3 | Confident | 126 Ų | 126 | 78 Ų | 78 | 55% | 0.548 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 174.9 | -66.6 | 172.2 | -163.4 | 162.5 | 0 | 111.3 | N532 D533 Q539 H540 | N532-K536 WeakPolarHBondContact O-CG 3.4Å; N532-K536 PolarHBondContact O-N 2.85Å; N532-K536 VanDerWaalsContact O-N 3.09Å; D533-K536 PolarHBondContact O-N 3.09Å; D533-K536 WeakPolarHBondContact OD1-CD 3.42Å; D533-K536 WeakPolarHBondContact OD1-CE 3.4Å; D533-K536 IonicContact OD1-NZ 4Å; D533-K536 PolarHBondContact OD1-NZ 2.93Å; K536-Q539 PolarHBondContact O-N 3.15Å; K536-H540 WeakPolarHBondContact O-CB 3.06Å; K536-H540 PolarHBondContact O-N 3.2Å |
| 537 | F | 89.3 | Confident | 89.5 | Confident | 49 Ų | 49 | 84 Ų | 84 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.1 | -46.4 | -179.9 | -175.6 | -107.8 | 0 | 0 | 0 | 111.8 | D533 E534 K535 Q539 H540 I541 E615 F619 | D533-F537 VanDerWaalsContact O-CB 3.31Å; D533-F537 WeakPolarHBondContact O-CB 3.47Å; D533-F537 PolarHBondContact O-N 3.3Å; E534-F537 PolarHBondContact O-N 2.64Å; K535-F537 VanDerWaalsContact C-N 3.33Å; K535-F537 PolarHBondContact O-N 2.87Å; F537-Q539 PolarHBondContact O-N 2.72Å; F537-H540 PolarHBondContact O-N 3.2Å; F537-I541 HydrophobicContact CD1-CD1 4.05Å; F537-I541 HydrophobicContact CE1-CD1 3.58Å; F537-I541 HydrophobicContact CE2-CD1 4.29Å; F537-I541 HydrophobicContact CZ-CD1 3.72Å; F537-I541 WeakPolarHBondContact O-CG1 3.5Å; F537-I541 PolarHBondContact O-N 3.41Å; F537-I541 VanDerWaalsContact O-N 3.09Å; F537-E615 HydrophobicContact CE1-CB 4.02Å; F537-E615 HydrophobicContact CZ-CB 4.08Å; F537-F619 HydrophobicContact CB-CD2 4.31Å; F537-F619 HydrophobicContact CB-CE2 4.2Å; F537-F619 HydrophobicContact CD1-CB 3.91Å; F537-F619 AromaticContact CD1-CD2 3.82Å; F537-F619 HydrophobicContact CD1-CD2 3.82Å; F537-F619 AromaticContact CD1-CG 3.85Å; F537-F619 HydrophobicContact CD1-CG 3.85Å; F537-F619 HydrophobicContact CD2-CD2 4.14Å; F537-F619 HydrophobicContact CD2-CE2 4.45Å; F537-F619 HydrophobicContact CE1-CB 3.73Å; F537-F619 HydrophobicContact CE1-CD2 4.12Å; F537-F619 HydrophobicContact CE1-CG 4.14Å; F537-F619 HydrophobicContact CE2-CD2 4.43Å; F537-F619 AromaticContact CG-CD2 3.83Å; F537-F619 HydrophobicContact CG-CD2 3.83Å; F537-F619 HydrophobicContact CG-CE2 4.15Å; F537-F619 HydrophobicContact CG-CG 4.29Å; F537-F619 HydrophobicContact CZ-CB 4.45Å; F537-F619 HydrophobicContact CZ-CD2 4.41Å |
| 538 | Q | 88.1 | Confident | 89.4 | Confident | 52 Ų | 52 | 83.1 Ų | 83.1 | 24% | 0.243 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 172.1 | -76.6 | 168.6 | 7.5 | 0 | 0 | 112 | E534 K535 H540 I541 Q542 C616 | E534-Q538 WeakPolarHBondContact O-CB 3.45Å; E534-Q538 WeakPolarHBondContact O-CG 3.49Å; E534-Q538 PolarHBondContact O-N 2.79Å; E534-Q538 PolarHBondContact OE1-NE2 3.06Å; K535-Q538 PolarHBondContact O-N 2.89Å; Q538-H540 VanDerWaalsContact C-N 3.35Å; Q538-H540 PolarHBondContact O-N 2.83Å; Q538-I541 PolarHBondContact O-N 2.9Å; Q538-Q542 WeakPolarHBondContact O-CB 3.45Å; Q538-Q542 VanDerWaalsContact O-CG 3.27Å; Q538-Q542 WeakPolarHBondContact O-CG 3.27Å; Q538-Q542 PolarHBondContact O-N 2.97Å; Q538-C616 VanDerWaalsContact CG-SG 3.54Å |
| 539 | Q | 90.1 | Very high | 89.4 | Confident | 127 Ų | 127 | 79 Ų | 79 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.2 | -38.3 | 179.4 | -170.1 | 176.4 | 16.9 | 0 | 0 | 112.1 | K535 K536 F537 Q542 V543 | K535-Q539 VanDerWaalsContact O-CB 3.28Å; K535-Q539 WeakPolarHBondContact O-CB 3.48Å; K535-Q539 PolarHBondContact O-N 3.49Å; K536-Q539 PolarHBondContact O-N 3.15Å; F537-Q539 PolarHBondContact O-N 2.72Å; Q539-Q542 PolarHBondContact O-N 3.31Å; Q539-V543 WeakPolarHBondContact O-CB 3.37Å; Q539-V543 VanDerWaalsContact O-CG2 3.29Å; Q539-V543 WeakPolarHBondContact O-CG2 3.2Å; Q539-V543 PolarHBondContact O-N 3.03Å |
| 540 | H | 91 | Very high | 89.3 | Confident | 125 Ų | 125 | 79.6 Ų | 79.6 | 58% | 0.579 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.3 | -49.3 | 175.8 | -177.5 | 76.6 | 0 | 0 | 0 | 111.7 | K536 F537 Q538 Q542 V543 Q544 | K536-H540 WeakPolarHBondContact O-CB 3.06Å; K536-H540 PolarHBondContact O-N 3.2Å; F537-H540 PolarHBondContact O-N 3.2Å; Q538-H540 VanDerWaalsContact C-N 3.35Å; Q538-H540 PolarHBondContact O-N 2.83Å; H540-Q542 PolarHBondContact O-N 3.49Å; H540-V543 PolarHBondContact O-N 2.95Å; H540-Q544 PolarHBondContact O-N 3.13Å |
| 541 | I | 89.6 | Confident | 89.3 | Confident | 6 Ų | 6 | 80.9 Ų | 80.9 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 176.4 | -65.4 | 171.1 | 0 | 0 | 0 | 110.4 | F537 Q538 V543 Q544 Q545 Y611 L612 E615 | F537-I541 HydrophobicContact CD1-CD1 4.05Å; F537-I541 HydrophobicContact CE1-CD1 3.58Å; F537-I541 HydrophobicContact CE2-CD1 4.29Å; F537-I541 HydrophobicContact CZ-CD1 3.72Å; F537-I541 WeakPolarHBondContact O-CG1 3.5Å; F537-I541 PolarHBondContact O-N 3.41Å; F537-I541 VanDerWaalsContact O-N 3.09Å; Q538-I541 PolarHBondContact O-N 2.9Å; I541-V543 VanDerWaalsContact C-N 3.33Å; I541-V543 PolarHBondContact O-N 2.75Å; I541-Q544 PolarHBondContact O-N 3.44Å; I541-Q545 HydrophobicContact CG2-CG 4.11Å; I541-Q545 WeakPolarHBondContact O-CB 3.47Å; I541-Q545 VanDerWaalsContact O-CG 3.24Å; I541-Q545 WeakPolarHBondContact O-CG 3.31Å; I541-Q545 PolarHBondContact O-N 3.48Å; I541-Y611 HydrophobicContact CG2-CD1 4.23Å; I541-Y611 HydrophobicContact CG2-CE1 4.27Å; I541-L612 HydrophobicContact CB-CD1 3.9Å; I541-L612 HydrophobicContact CD1-CD1 4.13Å; I541-L612 HydrophobicContact CG2-CB 4.22Å; I541-L612 HydrophobicContact CG2-CD1 3.67Å; I541-E615 HydrophobicContact CD1-CB 3.84Å |
| 542 | Q | 88.8 | Confident | 89.4 | Confident | 104 Ų | 104 | 81.4 Ų | 81.4 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 177.5 | -72.7 | 171.9 | 9.4 | 0 | 0 | 113.1 | Q538 Q539 H540 K546 L612 | Q538-Q542 WeakPolarHBondContact O-CB 3.45Å; Q538-Q542 VanDerWaalsContact O-CG 3.27Å; Q538-Q542 WeakPolarHBondContact O-CG 3.27Å; Q538-Q542 PolarHBondContact O-N 2.97Å; Q539-Q542 PolarHBondContact O-N 3.31Å; H540-Q542 PolarHBondContact O-N 3.49Å; Q542-K546 VanDerWaalsContact O-CB 3.3Å; Q542-K546 WeakPolarHBondContact O-CB 3.44Å; Q542-K546 PolarHBondContact O-N 3.42Å; Q542-L612 HydrophobicContact CG-CD2 4.33Å |
| 543 | V | 91.5 | Very high | 89.2 | Confident | 92 Ų | 92 | 79.6 Ų | 79.6 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 174.9 | 167 | 0 | 0 | 0 | 0 | 111.2 | Q539 H540 I541 K547 | Q539-V543 WeakPolarHBondContact O-CB 3.37Å; Q539-V543 VanDerWaalsContact O-CG2 3.29Å; Q539-V543 WeakPolarHBondContact O-CG2 3.2Å; Q539-V543 PolarHBondContact O-N 3.03Å; H540-V543 PolarHBondContact O-N 2.95Å; I541-V543 VanDerWaalsContact C-N 3.33Å; I541-V543 PolarHBondContact O-N 2.75Å; V543-K547 PolarHBondContact O-N 2.76Å; V543-K547 VanDerWaalsContact O-N 3.08Å |
| 544 | Q | 88.9 | Confident | 89.2 | Confident | 80 Ų | 80 | 82.9 Ų | 82.9 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.8 | -50.3 | 172.9 | 176.2 | 178.7 | -22.3 | 0 | 0 | 111.1 | H540 I541 K546 K547 E548 | H540-Q544 PolarHBondContact O-N 3.13Å; I541-Q544 PolarHBondContact O-N 3.44Å; Q544-K546 VanDerWaalsContact C-N 3.31Å; Q544-K546 PolarHBondContact O-N 3.16Å; Q544-K547 WeakPolarHBondContact O-CA 3.4Å; Q544-K547 WeakPolarHBondContact O-CB 3.38Å; Q544-K547 PolarHBondContact O-N 3.07Å; Q544-E548 HydrophobicContact CG-CG 4.4Å; Q544-E548 VanDerWaalsContact CG-OE1 3.3Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.31Å; Q544-E548 PolarHBondContact NE2-OE1 3.38Å; Q544-E548 WeakPolarHBondContact O-CG 3.46Å; Q544-E548 PolarHBondContact O-N 3.14Å |
| 545 | Q | 90.1 | Very high | 89.1 | Confident | 20 Ų | 20 | 83.2 Ų | 83.2 | 9% | 0.093 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.4 | -39.7 | -179.2 | -73.3 | 178.5 | -12.6 | 0 | 0 | 112.4 | I541 K547 E548 L549 Q608 | I541-Q545 HydrophobicContact CG2-CG 4.11Å; I541-Q545 WeakPolarHBondContact O-CB 3.47Å; I541-Q545 VanDerWaalsContact O-CG 3.24Å; I541-Q545 WeakPolarHBondContact O-CG 3.31Å; I541-Q545 PolarHBondContact O-N 3.48Å; Q545-K547 PolarHBondContact O-N 3.12Å; Q545-E548 PolarHBondContact O-N 2.96Å; Q545-L549 VanDerWaalsContact O-CB 3.28Å; Q545-L549 WeakPolarHBondContact O-CB 3.45Å; Q545-L549 PolarHBondContact O-N 2.82Å; Q545-Q608 VanDerWaalsContact CA-NE2 3.34Å; Q545-Q608 HydrophobicContact CB-CG 4.31Å; Q545-Q608 HydrophobicContact CG-CB 4.07Å; Q545-Q608 HydrophobicContact CG-CG 3.88Å; Q545-Q608 PolarHBondContact NE2-O 2.94Å; Q545-Q608 PolarHBondContact O-NE2 3.36Å |
| 546 | K | 89.9 | Confident | 88.8 | Confident | 152 Ų | 152 | 78 Ų | 78 | 66% | 0.661 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64 | -37.3 | 173.2 | -175 | 176.6 | -179.8 | 179 | 0 | 112.5 | Q542 Q544 S550 | Q542-K546 VanDerWaalsContact O-CB 3.3Å; Q542-K546 WeakPolarHBondContact O-CB 3.44Å; Q542-K546 PolarHBondContact O-N 3.42Å; Q544-K546 VanDerWaalsContact C-N 3.31Å; Q544-K546 PolarHBondContact O-N 3.16Å; K546-S550 WeakPolarHBondContact O-CB 3.33Å; K546-S550 PolarHBondContact O-N 3.18Å; K546-S550 PolarHBondContact O-OG 2.84Å |
| 547 | K | 91.2 | Very high | 88.6 | Confident | 165 Ų | 165 | 79.2 Ų | 79.2 | 72% | 0.717 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -68.2 | -45.2 | 175.5 | -175.9 | -174.6 | 176.5 | -173.1 | 0 | 111.5 | V543 Q544 Q545 S550 S551 | V543-K547 PolarHBondContact O-N 2.76Å; V543-K547 VanDerWaalsContact O-N 3.08Å; Q544-K547 WeakPolarHBondContact O-CA 3.4Å; Q544-K547 WeakPolarHBondContact O-CB 3.38Å; Q544-K547 PolarHBondContact O-N 3.07Å; Q545-K547 PolarHBondContact O-N 3.12Å; K547-S550 PolarHBondContact O-N 3.05Å; K547-S551 WeakPolarHBondContact O-CB 3.26Å; K547-S551 PolarHBondContact O-N 2.97Å |
| 548 | E | 87.7 | Confident | 88.4 | Confident | 75 Ų | 75 | 83.9 Ų | 83.9 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.2 | -50.9 | 173.8 | -71.5 | 167.9 | -177.8 | 0 | 0 | 111.5 | Q544 Q545 S550 S551 F552 Q608 | Q544-E548 HydrophobicContact CG-CG 4.4Å; Q544-E548 VanDerWaalsContact CG-OE1 3.3Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.31Å; Q544-E548 PolarHBondContact NE2-OE1 3.38Å; Q544-E548 WeakPolarHBondContact O-CG 3.46Å; Q544-E548 PolarHBondContact O-N 3.14Å; Q545-E548 PolarHBondContact O-N 2.96Å; E548-S550 VanDerWaalsContact C-N 3.32Å; E548-S550 PolarHBondContact O-N 3.08Å; E548-S551 PolarHBondContact O-N 3.11Å; E548-F552 WeakPolarHBondContact O-CB 3.43Å; E548-F552 PolarHBondContact O-N 3.26Å; E548-Q608 PolarHBondContact OE2-NE2 2.96Å |
| 549 | L | 89.2 | Confident | 88 | Confident | 36 Ų | 36 | 86.7 Ų | 86.7 | 19% | 0.188 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 178.1 | -178.8 | 66.3 | 0 | 0 | 0 | 111.8 | Q545 F552 L553 E601 L604 L605 | Q545-L549 VanDerWaalsContact O-CB 3.28Å; Q545-L549 WeakPolarHBondContact O-CB 3.45Å; Q545-L549 PolarHBondContact O-N 2.82Å; L549-F552 PolarHBondContact O-N 2.9Å; L549-L553 HydrophobicContact CD1-CD1 4.28Å; L549-L553 HydrophobicContact CD1-CG 4.4Å; L549-L553 HydrophobicContact CG-CD1 4.07Å; L549-L553 WeakPolarHBondContact O-CB 3.36Å; L549-L553 VanDerWaalsContact O-CG 3.27Å; L549-L553 WeakPolarHBondContact O-CG 3.47Å; L549-L553 PolarHBondContact O-N 2.88Å; L549-E601 HydrophobicContact CD1-CG 4.15Å; L549-L604 HydrophobicContact CD1-CD2 4.08Å; L549-L605 HydrophobicContact CD1-CD2 4.19Å; L549-L605 HydrophobicContact CD1-CG 4.47Å; L549-L605 HydrophobicContact CD2-CD2 3.94Å |
| 550 | S | 89.1 | Confident | 87.7 | Confident | 66 Ų | 66 | 83 Ų | 83 | 46% | 0.462 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | K546 K547 E548 E554 | K546-S550 WeakPolarHBondContact O-CB 3.33Å; K546-S550 PolarHBondContact O-N 3.18Å; K546-S550 PolarHBondContact O-OG 2.84Å; K547-S550 PolarHBondContact O-N 3.05Å; E548-S550 VanDerWaalsContact C-N 3.32Å; E548-S550 PolarHBondContact O-N 3.08Å; S550-E554 WeakPolarHBondContact O-CB 3.31Å; S550-E554 PolarHBondContact O-N 2.81Å |
| 551 | S | 87.9 | Confident | 87.3 | Confident | 67 Ų | 67 | 83.1 Ų | 83.1 | 47% | 0.469 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | K547 E548 E554 S555 | K547-S551 WeakPolarHBondContact O-CB 3.26Å; K547-S551 PolarHBondContact O-N 2.97Å; E548-S551 PolarHBondContact O-N 3.11Å; S551-E554 PolarHBondContact O-N 2.84Å; S551-S555 PolarHBondContact O-N 3.15Å |
| 552 | F | 89.3 | Confident | 86.9 | Confident | 57 Ų | 57 | 87.8 Ų | 87.8 | 25% | 0.25 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 176.2 | 178 | -101.1 | 0 | 0 | 0 | 111.8 | E548 L549 E554 S555 Q556 E600 E601 L604 | E548-F552 WeakPolarHBondContact O-CB 3.43Å; E548-F552 PolarHBondContact O-N 3.26Å; L549-F552 PolarHBondContact O-N 2.9Å; F552-E554 VanDerWaalsContact C-N 3.29Å; F552-E554 PolarHBondContact O-N 2.55Å; F552-S555 CarbonylContact O-C 3.58Å; F552-S555 WeakPolarHBondContact O-CA 3.4Å; F552-S555 WeakPolarHBondContact O-CB 3.27Å; F552-S555 PolarHBondContact O-N 3.08Å; F552-S555 VanDerWaalsContact O-N 3.09Å; F552-Q556 HydrophobicContact CD1-CG 4.47Å; F552-Q556 HydrophobicContact CE1-CG 4.07Å; F552-Q556 HydrophobicContact CZ-CG 4.19Å; F552-Q556 PolarHBondContact O-N 2.8Å; F552-E600 HydrophobicContact CZ-CB 4.1Å; F552-E601 HydrophobicContact CE1-CB 4.27Å; F552-L604 HydrophobicContact CB-CD2 3.75Å; F552-L604 HydrophobicContact CD1-CD2 3.56Å; F552-L604 HydrophobicContact CD2-CD2 4.07Å; F552-L604 HydrophobicContact CE1-CD2 4.13Å; F552-L604 HydrophobicContact CG-CD2 3.52Å |
| 553 | L | 86.9 | Confident | 86.3 | Confident | 46 Ų | 46 | 88.6 Ų | 88.6 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.4 | -33.4 | 175.3 | -71.8 | 170.2 | 0 | 0 | 0 | 112.4 | L549 K557 | L549-L553 HydrophobicContact CD1-CD1 4.28Å; L549-L553 HydrophobicContact CD1-CG 4.4Å; L549-L553 HydrophobicContact CG-CD1 4.07Å; L549-L553 WeakPolarHBondContact O-CB 3.36Å; L549-L553 VanDerWaalsContact O-CG 3.27Å; L549-L553 WeakPolarHBondContact O-CG 3.47Å; L549-L553 PolarHBondContact O-N 2.88Å; L553-K557 WeakPolarHBondContact O-CB 3.44Å; L553-K557 WeakPolarHBondContact O-CD 3.28Å; L553-K557 WeakPolarHBondContact O-CG 3.48Å; L553-K557 PolarHBondContact O-N 2.67Å |
| 554 | E | 87 | Confident | 85.7 | Confident | 121 Ų | 121 | 88.5 Ų | 88.5 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -72.9 | -30.5 | 172.5 | -177 | 167.3 | -131.9 | 0 | 0 | 112.8 | S550 S551 F552 R558 | S550-E554 WeakPolarHBondContact O-CB 3.31Å; S550-E554 PolarHBondContact O-N 2.81Å; S551-E554 PolarHBondContact O-N 2.84Å; F552-E554 VanDerWaalsContact C-N 3.29Å; F552-E554 PolarHBondContact O-N 2.55Å; E554-R558 WeakPolarHBondContact O-CG 3.39Å; E554-R558 PolarHBondContact O-N 3.32Å; E554-R558 PolarHBondContact O-NE 3.06Å |
| 555 | S | 85.3 | Confident | 85.1 | Confident | 52 Ų | 52 | 88.7 Ų | 88.7 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.5 | -50.8 | 170.2 | -158.7 | 0 | 0 | 0 | 0 | 111.1 | S551 F552 K557 R558 E559 | S551-S555 PolarHBondContact O-N 3.15Å; F552-S555 CarbonylContact O-C 3.58Å; F552-S555 WeakPolarHBondContact O-CA 3.4Å; F552-S555 WeakPolarHBondContact O-CB 3.27Å; F552-S555 PolarHBondContact O-N 3.08Å; F552-S555 VanDerWaalsContact O-N 3.09Å; S555-K557 VanDerWaalsContact C-N 3.26Å; S555-K557 PolarHBondContact O-N 2.97Å; S555-R558 PolarHBondContact O-N 3.46Å; S555-E559 WeakPolarHBondContact O-CB 3.47Å; S555-E559 PolarHBondContact O-N 2.85Å |
| 556 | Q | 85.1 | Confident | 84.3 | Confident | 20 Ų | 20 | 91 Ų | 91 | 9% | 0.093 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -54.5 | -39.5 | 175 | -82.1 | -164.3 | -6.6 | 0 | 0 | 112.5 | F552 Y560 Q597 | F552-Q556 HydrophobicContact CD1-CG 4.47Å; F552-Q556 HydrophobicContact CE1-CG 4.07Å; F552-Q556 HydrophobicContact CZ-CG 4.19Å; F552-Q556 PolarHBondContact O-N 2.8Å; Q556-Y560 WeakPolarHBondContact O-CB 3.49Å; Q556-Y560 PolarHBondContact O-N 3.15Å; Q556-Q597 HydrophobicContact CG-CG 4.23Å; Q556-Q597 PolarHBondContact NE2-O 3.28Å; Q556-Q597 PolarHBondContact O-NE2 2.91Å; Q556-Q597 VanDerWaalsContact O-NE2 3.11Å |
| 557 | K | 84.9 | Confident | 83.5 | Confident | 151 Ų | 151 | 84.4 Ų | 84.4 | 66% | 0.657 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.6 | -38.4 | 176.8 | -77 | 165.9 | -174.3 | 170.9 | 0 | 112.8 | L553 S555 K561 | L553-K557 WeakPolarHBondContact O-CB 3.44Å; L553-K557 WeakPolarHBondContact O-CD 3.28Å; L553-K557 WeakPolarHBondContact O-CG 3.48Å; L553-K557 PolarHBondContact O-N 2.67Å; S555-K557 VanDerWaalsContact C-N 3.26Å; S555-K557 PolarHBondContact O-N 2.97Å; K557-K561 PolarHBondContact O-N 3.32Å; K557-K561 VanDerWaalsContact O-N 3.14Å |
| 558 | R | 84.4 | Confident | 82.5 | Confident | 147 Ų | 147 | 82.1 Ų | 82.1 | 56% | 0.555 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -70.2 | -45.7 | 175.7 | -75.2 | 176.7 | -74.5 | 154.8 | -6.6 | 111.5 | E554 S555 K561 L562 | E554-R558 WeakPolarHBondContact O-CG 3.39Å; E554-R558 PolarHBondContact O-N 3.32Å; E554-R558 PolarHBondContact O-NE 3.06Å; S555-R558 PolarHBondContact O-N 3.46Å; R558-K561 WeakPolarHBondContact O-CB 3.23Å; R558-K561 PolarHBondContact O-N 2.99Å; R558-L562 PolarHBondContact O-N 3.21Å |
| 559 | E | 81.1 | Confident | 81.6 | Confident | 112 Ų | 112 | 84.9 Ų | 84.9 | 52% | 0.523 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 177.6 | -172.7 | 174.5 | -166.5 | 0 | 0 | 111.9 | S555 K561 L562 R563 | S555-E559 WeakPolarHBondContact O-CB 3.47Å; S555-E559 PolarHBondContact O-N 2.85Å; E559-K561 VanDerWaalsContact C-N 3.29Å; E559-K561 PolarHBondContact O-N 3.44Å; E559-L562 PolarHBondContact O-N 2.88Å; E559-R563 VanDerWaalsContact O-CB 3.3Å; E559-R563 WeakPolarHBondContact O-CB 3.41Å; E559-R563 PolarHBondContact O-N 3.04Å |
| 560 | Y | 82.5 | Confident | 80.6 | Confident | 50 Ų | 50 | 87.4 Ų | 87.4 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.9 | -41.4 | 172.3 | -179.8 | -115.9 | 0 | 0 | 0 | 111.5 | Q556 K564 I593 | Q556-Y560 WeakPolarHBondContact O-CB 3.49Å; Q556-Y560 PolarHBondContact O-N 3.15Å; Y560-K564 HydrophobicContact CE1-CD 4.04Å; Y560-K564 WeakPolarHBondContact O-CB 3.34Å; Y560-K564 PolarHBondContact O-N 2.73Å; Y560-I593 HydrophobicContact CD2-CG2 3.79Å; Y560-I593 HydrophobicContact CE2-CG2 4.24Å |
| 561 | K | 82 | Confident | 79.4 | Confident | 127 Ų | 127 | 86 Ų | 86 | 55% | 0.552 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.5 | -51.8 | 176.1 | -170.9 | -167.3 | 168.9 | -164.5 | 0 | 111.1 | K557 R558 E559 R563 K564 E565 | K557-K561 PolarHBondContact O-N 3.32Å; K557-K561 VanDerWaalsContact O-N 3.14Å; R558-K561 WeakPolarHBondContact O-CB 3.23Å; R558-K561 PolarHBondContact O-N 2.99Å; E559-K561 VanDerWaalsContact C-N 3.29Å; E559-K561 PolarHBondContact O-N 3.44Å; K561-R563 PolarHBondContact O-N 3.45Å; K561-K564 PolarHBondContact O-N 3.33Å; K561-E565 WeakPolarHBondContact CE-OE1 3.43Å; K561-E565 IonicContact NZ-OE1 2.81Å; K561-E565 WeakPolarHBondContact O-CG 3.38Å; K561-E565 PolarHBondContact O-N 2.96Å |
| 562 | L | 81.1 | Confident | 78.1 | Confident | 104 Ų | 104 | 86.7 Ų | 86.7 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 179.7 | -178.5 | 65.9 | 0 | 0 | 0 | 111.6 | R558 E559 K564 E565 Q566 | R558-L562 PolarHBondContact O-N 3.21Å; E559-L562 PolarHBondContact O-N 2.88Å; L562-K564 PolarHBondContact O-N 3.43Å; L562-E565 WeakPolarHBondContact O-CA 3.33Å; L562-E565 WeakPolarHBondContact O-CB 3.11Å; L562-E565 PolarHBondContact O-N 3.23Å; L562-Q566 WeakPolarHBondContact O-CG 3.3Å; L562-Q566 PolarHBondContact O-N 3.11Å |
| 563 | R | 77.6 | Confident | 76.7 | Confident | 121 Ų | 121 | 91.6 Ų | 91.6 | 46% | 0.457 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.5 | -28.4 | -177.9 | -157.3 | 144.7 | -174.9 | 70.7 | -2.2 | 112.8 | E559 K561 E565 L567 I593 | E559-R563 VanDerWaalsContact O-CB 3.3Å; E559-R563 WeakPolarHBondContact O-CB 3.41Å; E559-R563 PolarHBondContact O-N 3.04Å; K561-R563 PolarHBondContact O-N 3.45Å; R563-E565 VanDerWaalsContact C-N 3.29Å; R563-L567 VanDerWaalsContact O-CB 3.28Å; R563-L567 WeakPolarHBondContact O-CB 3.4Å; R563-L567 VanDerWaalsContact O-CG 3.25Å; R563-L567 WeakPolarHBondContact O-CG 3.34Å; R563-L567 PolarHBondContact O-N 2.92Å; R563-I593 HydrophobicContact CG-CD1 4.19Å |
| 564 | K | 78.8 | Confident | 75.2 | Confident | 90 Ų | 90 | 93.9 Ų | 93.9 | 39% | 0.391 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.2 | -19 | 167.7 | 176.7 | -178.5 | 170.6 | -173.3 | 0 | 113.1 | Y560 K561 L562 K568 | Y560-K564 HydrophobicContact CE1-CD 4.04Å; Y560-K564 WeakPolarHBondContact O-CB 3.34Å; Y560-K564 PolarHBondContact O-N 2.73Å; K561-K564 PolarHBondContact O-N 3.33Å; L562-K564 PolarHBondContact O-N 3.43Å; K564-K568 WeakPolarHBondContact O-CG 3.27Å |
| 565 | E | 77.1 | Confident | 73.6 | Confident | 83 Ų | 83 | 97 Ų | 97 | 39% | 0.388 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -84.5 | -47.5 | 171.6 | -76.7 | 161.2 | -178.3 | 0 | 0 | 109.7 | K561 L562 R563 L567 K568 E569 | K561-E565 WeakPolarHBondContact CE-OE1 3.43Å; K561-E565 IonicContact NZ-OE1 2.81Å; K561-E565 WeakPolarHBondContact O-CG 3.38Å; K561-E565 PolarHBondContact O-N 2.96Å; L562-E565 WeakPolarHBondContact O-CA 3.33Å; L562-E565 WeakPolarHBondContact O-CB 3.11Å; L562-E565 PolarHBondContact O-N 3.23Å; R563-E565 VanDerWaalsContact C-N 3.29Å; E565-L567 PolarHBondContact O-N 3.14Å; E565-K568 WeakPolarHBondContact O-CB 3.14Å; E565-K568 PolarHBondContact O-N 2.82Å; E565-E569 PolarHBondContact O-N 2.88Å; E565-E569 VanDerWaalsContact O-N 3.17Å |
| 566 | Q | 73.2 | Confident | 72.3 | Confident | 68 Ų | 68 | 99.8 Ų | 99.8 | 32% | 0.318 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -52.7 | -48.3 | 169.5 | -68.7 | 172.2 | -24 | 0 | 0 | 112.8 | L562 K568 E569 E570 | L562-Q566 WeakPolarHBondContact O-CG 3.3Å; L562-Q566 PolarHBondContact O-N 3.11Å; Q566-K568 PolarHBondContact O-N 3.29Å; Q566-K568 VanDerWaalsContact O-N 3.09Å; Q566-E569 WeakPolarHBondContact O-CA 3.43Å; Q566-E569 WeakPolarHBondContact O-CB 3.15Å; Q566-E569 PolarHBondContact O-N 2.84Å; Q566-E570 WeakPolarHBondContact O-CG 3.49Å; Q566-E570 PolarHBondContact O-N 3.46Å |
| 567 | L | 72.4 | Confident | 70.7 | Confident | 14 Ų | 14 | 101.9 Ų | 101.9 | 7% | 0.073 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -66 | -9 | 177.5 | -76.7 | 170.7 | 0 | 0 | 0 | 114.8 | R563 E565 L571 W585 L586 Q589 I593 | R563-L567 VanDerWaalsContact O-CB 3.28Å; R563-L567 WeakPolarHBondContact O-CB 3.4Å; R563-L567 VanDerWaalsContact O-CG 3.25Å; R563-L567 WeakPolarHBondContact O-CG 3.34Å; R563-L567 PolarHBondContact O-N 2.92Å; E565-L567 PolarHBondContact O-N 3.14Å; L567-L571 WeakPolarHBondContact O-CB 3.49Å; L567-W585 HydrophobicContact CD2-CH2 3.59Å; L567-W585 HydrophobicContact CD2-CZ3 3.97Å; L567-L586 HydrophobicContact CB-CD1 4.12Å; L567-L586 WeakPolarHBondContact O-CD1 3.13Å; L567-Q589 HydrophobicContact CD1-CB 4.13Å; L567-Q589 HydrophobicContact CD2-CB 4.43Å; L567-Q589 HydrophobicContact CD2-CG 4.48Å; L567-I593 HydrophobicContact CD1-CD1 3.54Å |
| 568 | K | 69.8 | Low | 69.6 | Low | 118 Ų | 118 | 98 Ų | 98 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -90.5 | -34.1 | 166.2 | -67.1 | 165.8 | 178.6 | 177.6 | 0 | 111.5 | K564 E565 Q566 L571 S572 | K564-K568 WeakPolarHBondContact O-CG 3.27Å; E565-K568 WeakPolarHBondContact O-CB 3.14Å; E565-K568 PolarHBondContact O-N 2.82Å; Q566-K568 PolarHBondContact O-N 3.29Å; Q566-K568 VanDerWaalsContact O-N 3.09Å; K568-L571 PolarHBondContact O-N 3Å; K568-S572 PolarHBondContact O-N 2.91Å; K568-S572 VanDerWaalsContact O-N 3.16Å |
| 569 | E | 69.4 | Low | 68.5 | Low | 133 Ų | 133 | 100.3 Ų | 100.3 | 62% | 0.621 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.6 | -51.8 | -178.8 | -151.2 | 155.1 | -137 | 0 | 0 | 109.8 | E565 Q566 L571 S572 E573 | E565-E569 PolarHBondContact O-N 2.88Å; E565-E569 VanDerWaalsContact O-N 3.17Å; Q566-E569 WeakPolarHBondContact O-CA 3.43Å; Q566-E569 WeakPolarHBondContact O-CB 3.15Å; Q566-E569 PolarHBondContact O-N 2.84Å; E569-L571 PolarHBondContact O-N 3.4Å; E569-S572 WeakPolarHBondContact O-CA 3.17Å; E569-S572 WeakPolarHBondContact O-CB 3.38Å; E569-S572 PolarHBondContact O-N 3.37Å; E569-S572 PolarHBondContact O-OG 3.32Å; E569-E573 PolarHBondContact O-N 3.29Å |
| 570 | E | 68.2 | Low | 67.9 | Low | 88 Ų | 88 | 102.1 Ų | 102.1 | 41% | 0.411 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.4 | -34.4 | 170.7 | -66.2 | 171.5 | -170.4 | 0 | 0 | 112.8 | Q566 S572 | Q566-E570 WeakPolarHBondContact O-CG 3.49Å; Q566-E570 PolarHBondContact O-N 3.46Å; E570-S572 VanDerWaalsContact C-N 3.27Å; E570-S572 PolarHBondContact O-N 2.68Å |
| 571 | L | 63.7 | Low | 67.1 | Low | 38 Ų | 38 | 105.3 Ų | 105.3 | 20% | 0.199 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -75.9 | -15.7 | 177.8 | -160.5 | 78.1 | 0 | 0 | 0 | 112.7 | L567 K568 E569 K582 W585 L586 | L567-L571 WeakPolarHBondContact O-CB 3.49Å; K568-L571 PolarHBondContact O-N 3Å; E569-L571 PolarHBondContact O-N 3.4Å; L571-K582 HydrophobicContact CD1-CB 4.21Å; L571-K582 HydrophobicContact CD1-CD 4.1Å; L571-K582 HydrophobicContact CD1-CG 3.99Å; L571-K582 HydrophobicContact CD2-CB 4.48Å; L571-K582 HydrophobicContact CD2-CD 4.46Å; L571-K582 HydrophobicContact CG-CD 4.06Å; L571-K582 HydrophobicContact CG-CG 4.46Å; L571-K582 PolarHBondContact O-NZ 2.7Å; L571-W585 HydrophobicContact CD1-CE3 3.78Å; L571-W585 HydrophobicContact CD1-CZ3 3.88Å; L571-L586 HydrophobicContact CD2-CD1 4.34Å; L571-L586 HydrophobicContact CD2-CD2 4.23Å |
| 572 | S | 61 | Low | 66.2 | Low | 80 Ų | 80 | 101.3 Ų | 101.3 | 56% | 0.559 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -89.4 | -31.7 | -178.9 | 80.3 | 0 | 0 | 0 | 0 | 112.9 | K568 E569 E570 | K568-S572 PolarHBondContact O-N 2.91Å; K568-S572 VanDerWaalsContact O-N 3.16Å; E569-S572 WeakPolarHBondContact O-CA 3.17Å; E569-S572 WeakPolarHBondContact O-CB 3.38Å; E569-S572 PolarHBondContact O-N 3.37Å; E569-S572 PolarHBondContact O-OG 3.32Å; E570-S572 VanDerWaalsContact C-N 3.27Å; E570-S572 PolarHBondContact O-N 2.68Å |
| 573 | E | 59.1 | Low | 65.5 | Low | 161 Ų | 161 | 103.6 Ų | 103.6 | 75% | 0.752 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.3 | -34.1 | 175.6 | -61.8 | -171.6 | 131.2 | 0 | 0 | 112.2 | E569 Q575 | E569-E573 PolarHBondContact O-N 3.29Å; E573-Q575 PolarHBondContact O-N 3.44Å |
| 574 | N | 56.3 | Low | 65.3 | Low | 93 Ų | 93 | 102.8 Ų | 102.8 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | trans | -75.5 | 89 | 179.5 | -96.8 | -70.1 | 0 | 0 | 0 | 112.6 | S576 K582 | N574-S576 VanDerWaalsContact C-N 3.33Å; N574-S576 PolarHBondContact O-N 2.94Å; N574-K582 WeakPolarHBondContact O-CE 3.2Å; N574-K582 PolarHBondContact O-NZ 3.26Å | ||
| 575 | Q | 53.5 | Low | 65.2 | Low | 188 Ų | 188 | 103.4 Ų | 103.4 | 88% | 0.879 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -7.2 | -175.7 | -62.9 | -168.6 | 9.5 | 0 | 0 | 115.8 | E573 | E573-Q575 PolarHBondContact O-N 3.44Š|
| 576 | S | 57.5 | Low | 64.9 | Low | 110 Ų | 110 | 101.1 Ų | 101.1 | 77% | 0.769 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 1.1 | -168.4 | 54 | 0 | 0 | 0 | 0 | 117 | N574 | N574-S576 VanDerWaalsContact C-N 3.33Å; N574-S576 PolarHBondContact O-N 2.94Å |
| 577 | T | 51.9 | Low | 65.1 | Low | 64 Ų | 64 | 101.1 Ų | 101.1 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -98.6 | 135.6 | -174.2 | 16.9 | 0 | 0 | 0 | 0 | 114.6 | K582 | T577-K582 WeakPolarHBondContact O-CE 3.39Å; T577-K582 WeakPolarHBondContact OG1-CE 3.35Å |
| 578 | P | 61.3 | Low | 65.5 | Low | 69 Ų | 69 | 106.9 Ų | 106.9 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | trans | -58.1 | 146.1 | -179.3 | -26.7 | 34.3 | 0 | 0 | 0 | 116 | K580 E581 K582 | P578-K580 VanDerWaalsContact C-N 3.35Å; P578-K580 PolarHBondContact O-N 3.04Å; P578-E581 HydrophobicContact CB-CG 4.48Å; P578-E581 WeakPolarHBondContact CD-OE2 3.41Å; P578-E581 PolarHBondContact O-N 2.65Å; P578-K582 WeakPolarHBondContact O-CG 3.47Å; P578-K582 PolarHBondContact O-N 3.08Å | ||
| 579 | K | 60.6 | Low | 65.9 | Low | 195 Ų | 195 | 104 Ų | 104 | 85% | 0.848 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -55.8 | -40.4 | -179.6 | -85.6 | -172.8 | 175.4 | 179.1 | 0 | 114.4 | Q583 | K579-Q583 PolarHBondContact O-N 2.99Å; K579-Q583 VanDerWaalsContact O-N 3.13Å |
| 580 | K | 68.1 | Low | 66.3 | Low | 151 Ų | 151 | 100.6 Ų | 100.6 | 66% | 0.657 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.9 | -48.9 | -177.8 | -165.7 | -172 | -178 | -126.7 | 0 | 111.2 | P578 K582 Q583 E584 | P578-K580 VanDerWaalsContact C-N 3.35Å; P578-K580 PolarHBondContact O-N 3.04Å; K580-K582 PolarHBondContact O-N 3.19Å; K580-Q583 PolarHBondContact O-N 3.19Å; K580-Q583 VanDerWaalsContact O-N 3.09Å; K580-E584 WeakPolarHBondContact CE-OE1 3.43Å; K580-E584 IonicContact NZ-OE1 2.83Å; K580-E584 PolarHBondContact NZ-OE1 3.46Å; K580-E584 PolarHBondContact O-N 3.31Å |
| 581 | E | 65.6 | Low | 66.9 | Low | 116 Ų | 116 | 102.3 Ų | 102.3 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 177.6 | -65.6 | 175 | 173.7 | 0 | 0 | 111.7 | P578 Q583 E584 W585 | P578-E581 HydrophobicContact CB-CG 4.48Å; P578-E581 WeakPolarHBondContact CD-OE2 3.41Å; P578-E581 PolarHBondContact O-N 2.65Å; E581-Q583 VanDerWaalsContact C-N 3.27Å; E581-Q583 PolarHBondContact O-N 2.9Å; E581-E584 PolarHBondContact O-N 3.32Å; E581-W585 WeakPolarHBondContact O-CB 3.48Å; E581-W585 PolarHBondContact O-N 3.33Å |
| 582 | K | 63.7 | Low | 67.8 | Low | 43 Ų | 43 | 104.3 Ų | 104.3 | 19% | 0.187 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -57.8 | -38.4 | 171.5 | -77.6 | -165.6 | 171.9 | -161.7 | 0 | 112.5 | L571 N574 T577 P578 K580 L586 | L571-K582 HydrophobicContact CD1-CB 4.21Å; L571-K582 HydrophobicContact CD1-CD 4.1Å; L571-K582 HydrophobicContact CD1-CG 3.99Å; L571-K582 HydrophobicContact CD2-CB 4.48Å; L571-K582 HydrophobicContact CD2-CD 4.46Å; L571-K582 HydrophobicContact CG-CD 4.06Å; L571-K582 HydrophobicContact CG-CG 4.46Å; L571-K582 PolarHBondContact O-NZ 2.7Å; N574-K582 WeakPolarHBondContact O-CE 3.2Å; N574-K582 PolarHBondContact O-NZ 3.26Å; T577-K582 WeakPolarHBondContact O-CE 3.39Å; T577-K582 WeakPolarHBondContact OG1-CE 3.35Å; P578-K582 WeakPolarHBondContact O-CG 3.47Å; P578-K582 PolarHBondContact O-N 3.08Å; K580-K582 PolarHBondContact O-N 3.19Å; K582-L586 WeakPolarHBondContact O-CB 3.43Å; K582-L586 PolarHBondContact O-N 2.92Å |
| 583 | Q | 67.1 | Low | 68.8 | Low | 152 Ų | 152 | 101.9 Ų | 101.9 | 71% | 0.71 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75.3 | -39.3 | 178.9 | -173.9 | 165.9 | -23.5 | 0 | 0 | 112.5 | K579 K580 E581 S587 | K579-Q583 PolarHBondContact O-N 2.99Å; K579-Q583 VanDerWaalsContact O-N 3.13Å; K580-Q583 PolarHBondContact O-N 3.19Å; K580-Q583 VanDerWaalsContact O-N 3.09Å; E581-Q583 VanDerWaalsContact C-N 3.27Å; E581-Q583 PolarHBondContact O-N 2.9Å; Q583-S587 WeakPolarHBondContact O-CB 3.31Å; Q583-S587 PolarHBondContact O-N 3.08Å |
| 584 | E | 73.3 | Confident | 69.9 | Low | 104 Ų | 104 | 99.4 Ų | 99.4 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 174 | -73 | 172.8 | -168.3 | 0 | 0 | 111.3 | K580 E581 S587 K588 | K580-E584 WeakPolarHBondContact CE-OE1 3.43Å; K580-E584 IonicContact NZ-OE1 2.83Å; K580-E584 PolarHBondContact NZ-OE1 3.46Å; K580-E584 PolarHBondContact O-N 3.31Å; E581-E584 PolarHBondContact O-N 3.32Å; E584-S587 WeakPolarHBondContact O-CB 3.38Å; E584-S587 PolarHBondContact O-N 2.76Å; E584-S587 VanDerWaalsContact O-N 3.13Å; E584-K588 WeakPolarHBondContact O-CB 3.35Å; E584-K588 PolarHBondContact O-N 3.07Å |
| 585 | W | 75.4 | Confident | 71.2 | Confident | 104 Ų | 104 | 101 Ų | 101 | 39% | 0.394 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 173.1 | -176.6 | 94.9 | 0 | 0 | 0 | 111.7 | L567 L571 E581 S587 K588 Q589 | L567-W585 HydrophobicContact CD2-CH2 3.59Å; L567-W585 HydrophobicContact CD2-CZ3 3.97Å; L571-W585 HydrophobicContact CD1-CE3 3.78Å; L571-W585 HydrophobicContact CD1-CZ3 3.88Å; E581-W585 WeakPolarHBondContact O-CB 3.48Å; E581-W585 PolarHBondContact O-N 3.33Å; W585-S587 PolarHBondContact O-N 3.37Å; W585-K588 PolarHBondContact O-N 3.47Å; W585-Q589 HydrophobicContact CD2-CG 3.9Å; W585-Q589 HydrophobicContact CE3-CG 4.07Å; W585-Q589 HydrophobicContact CH2-CG 4.1Å; W585-Q589 HydrophobicContact CZ2-CG 3.92Å; W585-Q589 HydrophobicContact CZ3-CG 4.17Å; W585-Q589 WeakPolarHBondContact O-CG 3.37Å; W585-Q589 PolarHBondContact O-N 3.33Å |
| 586 | L | 72.7 | Confident | 72.7 | Confident | 34 Ų | 34 | 98.3 Ų | 98.3 | 18% | 0.178 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -69.6 | -16.5 | 177.5 | -163.6 | 75.6 | 0 | 0 | 0 | 112.3 | L567 L571 K582 K590 | L567-L586 HydrophobicContact CB-CD1 4.12Å; L567-L586 WeakPolarHBondContact O-CD1 3.13Å; L571-L586 HydrophobicContact CD2-CD1 4.34Å; L571-L586 HydrophobicContact CD2-CD2 4.23Å; K582-L586 WeakPolarHBondContact O-CB 3.43Å; K582-L586 PolarHBondContact O-N 2.92Å; L586-K590 WeakPolarHBondContact O-CD 3.33Å; L586-K590 WeakPolarHBondContact O-CE 3.37Å; L586-K590 VanDerWaalsContact O-CG 3.25Å; L586-K590 WeakPolarHBondContact O-CG 3.1Å; L586-K590 PolarHBondContact O-NZ 2.93Å |
| 587 | S | 76.5 | Confident | 74 | Confident | 69 Ų | 69 | 94.5 Ų | 94.5 | 48% | 0.483 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -78 | -51.6 | 168.6 | -160 | 0 | 0 | 0 | 0 | 110 | Q583 E584 W585 Q589 K590 E591 | Q583-S587 WeakPolarHBondContact O-CB 3.31Å; Q583-S587 PolarHBondContact O-N 3.08Å; E584-S587 WeakPolarHBondContact O-CB 3.38Å; E584-S587 PolarHBondContact O-N 2.76Å; E584-S587 VanDerWaalsContact O-N 3.13Å; W585-S587 PolarHBondContact O-N 3.37Å; S587-Q589 VanDerWaalsContact C-N 3.32Å; S587-Q589 PolarHBondContact O-N 2.89Å; S587-K590 WeakPolarHBondContact O-CB 3.27Å; S587-K590 PolarHBondContact O-N 3.36Å; S587-E591 PolarHBondContact O-N 2.97Å |
| 588 | K | 79.8 | Confident | 75.5 | Confident | 134 Ų | 134 | 94.1 Ų | 94.1 | 58% | 0.583 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62 | -34.7 | -179.3 | -167.1 | 167.7 | -174 | 171.5 | 0 | 113.1 | E584 W585 E591 N592 | E584-K588 WeakPolarHBondContact O-CB 3.35Å; E584-K588 PolarHBondContact O-N 3.07Å; W585-K588 PolarHBondContact O-N 3.47Å; K588-E591 PolarHBondContact O-N 3.01Å; K588-N592 WeakPolarHBondContact O-CB 3.36Å; K588-N592 PolarHBondContact O-N 3.41Å; K588-N592 PolarHBondContact O-ND2 2.85Å; K588-N592 PolarHBondContact O-OD1 2.98Å |
| 589 | Q | 78.6 | Confident | 76.7 | Confident | 58 Ų | 58 | 95.5 Ų | 95.5 | 27% | 0.271 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -70.8 | -33.1 | 173.2 | -66.6 | -64.1 | 10.8 | 0 | 0 | 113.1 | L567 W585 S587 N592 I593 | L567-Q589 HydrophobicContact CD1-CB 4.13Å; L567-Q589 HydrophobicContact CD2-CB 4.43Å; L567-Q589 HydrophobicContact CD2-CG 4.48Å; W585-Q589 HydrophobicContact CD2-CG 3.9Å; W585-Q589 HydrophobicContact CE3-CG 4.07Å; W585-Q589 HydrophobicContact CH2-CG 4.1Å; W585-Q589 HydrophobicContact CZ2-CG 3.92Å; W585-Q589 HydrophobicContact CZ3-CG 4.17Å; W585-Q589 WeakPolarHBondContact O-CG 3.37Å; W585-Q589 PolarHBondContact O-N 3.33Å; S587-Q589 VanDerWaalsContact C-N 3.32Å; S587-Q589 PolarHBondContact O-N 2.89Å; Q589-N592 PolarHBondContact OE1-ND2 3.14Å; Q589-I593 WeakPolarHBondContact O-CB 3.3Å; Q589-I593 VanDerWaalsContact O-CG1 3.27Å; Q589-I593 WeakPolarHBondContact O-CG1 3.2Å; Q589-I593 PolarHBondContact O-N 3.17Å |
| 590 | K | 78.4 | Confident | 77.8 | Confident | 61 Ų | 61 | 88.8 Ų | 88.8 | 27% | 0.265 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 171.6 | -68.7 | 175.4 | -159.1 | 106.9 | 0 | 111 | L586 S587 I593 Q594 | L586-K590 WeakPolarHBondContact O-CD 3.33Å; L586-K590 WeakPolarHBondContact O-CE 3.37Å; L586-K590 VanDerWaalsContact O-CG 3.25Å; L586-K590 WeakPolarHBondContact O-CG 3.1Å; L586-K590 PolarHBondContact O-NZ 2.93Å; S587-K590 WeakPolarHBondContact O-CB 3.27Å; S587-K590 PolarHBondContact O-N 3.36Å; K590-I593 PolarHBondContact O-N 2.88Å; K590-Q594 WeakPolarHBondContact O-CB 3.34Å; K590-Q594 VanDerWaalsContact O-CG 3.29Å; K590-Q594 WeakPolarHBondContact O-CG 3.38Å; K590-Q594 PolarHBondContact O-N 2.77Å |
| 591 | E | 81.8 | Confident | 78.7 | Confident | 125 Ų | 125 | 84.5 Ų | 84.5 | 58% | 0.584 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.7 | -47.2 | 176.3 | -173.8 | 176 | -164.8 | 0 | 0 | 111.4 | S587 K588 I593 Q594 H595 | S587-E591 PolarHBondContact O-N 2.97Å; K588-E591 PolarHBondContact O-N 3.01Å; E591-I593 PolarHBondContact O-N 3.23Å; E591-Q594 PolarHBondContact O-N 2.98Å; E591-H595 WeakPolarHBondContact O-CB 3.5Å; E591-H595 PolarHBondContact O-N 2.84Å |
| 592 | N | 82.6 | Confident | 79.6 | Confident | 80 Ų | 80 | 81 Ų | 81 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 172.7 | -72.1 | -14.6 | 0 | 0 | 0 | 112.2 | K588 Q589 H595 F596 | K588-N592 WeakPolarHBondContact O-CB 3.36Å; K588-N592 PolarHBondContact O-N 3.41Å; K588-N592 PolarHBondContact O-ND2 2.85Å; K588-N592 PolarHBondContact O-OD1 2.98Å; Q589-N592 PolarHBondContact OE1-ND2 3.14Å; N592-H595 PolarHBondContact O-N 3.48Å; N592-F596 WeakPolarHBondContact O-CB 3.43Å; N592-F596 PolarHBondContact O-N 2.82Å |
| 593 | I | 81.7 | Confident | 80.8 | Confident | 28 Ų | 28 | 80.5 Ų | 80.5 | 14% | 0.144 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 178.1 | -69.9 | 167.9 | 0 | 0 | 0 | 110.9 | Y560 R563 L567 Q589 K590 E591 F596 Q597 | Y560-I593 HydrophobicContact CD2-CG2 3.79Å; Y560-I593 HydrophobicContact CE2-CG2 4.24Å; R563-I593 HydrophobicContact CG-CD1 4.19Å; L567-I593 HydrophobicContact CD1-CD1 3.54Å; Q589-I593 WeakPolarHBondContact O-CB 3.3Å; Q589-I593 VanDerWaalsContact O-CG1 3.27Å; Q589-I593 WeakPolarHBondContact O-CG1 3.2Å; Q589-I593 PolarHBondContact O-N 3.17Å; K590-I593 PolarHBondContact O-N 2.88Å; E591-I593 PolarHBondContact O-N 3.23Å; I593-F596 PolarHBondContact O-N 2.86Å; I593-Q597 HydrophobicContact CG2-CG 4.32Å; I593-Q597 VanDerWaalsContact O-CB 3.3Å; I593-Q597 WeakPolarHBondContact O-CB 3.47Å; I593-Q597 VanDerWaalsContact O-CG 3.26Å; I593-Q597 WeakPolarHBondContact O-CG 3.44Å; I593-Q597 PolarHBondContact O-N 2.95Å |
| 594 | Q | 82.1 | Confident | 81.7 | Confident | 109 Ų | 109 | 74.8 Ų | 74.8 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -37.4 | 176.4 | -75.5 | 178.5 | -36.5 | 0 | 0 | 112.3 | K590 E591 Q597 A598 | K590-Q594 WeakPolarHBondContact O-CB 3.34Å; K590-Q594 VanDerWaalsContact O-CG 3.29Å; K590-Q594 WeakPolarHBondContact O-CG 3.38Å; K590-Q594 PolarHBondContact O-N 2.77Å; E591-Q594 PolarHBondContact O-N 2.98Å; Q594-Q597 PolarHBondContact O-N 3.35Å; Q594-A598 WeakPolarHBondContact O-CB 3.33Å; Q594-A598 PolarHBondContact O-N 3.17Å |
| 595 | H | 83.5 | Confident | 82.4 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 59% | 0.588 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.5 | -50.2 | 171.9 | -174.7 | -70.1 | 0 | 0 | 0 | 111 | E591 N592 Q597 A598 E599 | E591-H595 WeakPolarHBondContact O-CB 3.5Å; E591-H595 PolarHBondContact O-N 2.84Å; N592-H595 PolarHBondContact O-N 3.48Å; H595-Q597 VanDerWaalsContact C-N 3.29Å; H595-Q597 PolarHBondContact O-N 3.23Å; H595-A598 PolarHBondContact O-N 2.95Å; H595-E599 IonicContact CE1-OE2 3.71Å; H595-E599 IonicContact ND1-OE2 2.66Å; H595-E599 WeakPolarHBondContact O-CB 3.19Å; H595-E599 PolarHBondContact O-N 2.94Å |
| 596 | F | 83.9 | Confident | 82.9 | Confident | 132 Ų | 132 | 75.5 Ų | 75.5 | 58% | 0.579 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61 | -38 | 177.5 | -175.1 | -100.9 | 0 | 0 | 0 | 112.2 | N592 I593 E599 E600 | N592-F596 WeakPolarHBondContact O-CB 3.43Å; N592-F596 PolarHBondContact O-N 2.82Å; I593-F596 PolarHBondContact O-N 2.86Å; F596-E599 PolarHBondContact O-N 2.89Å; F596-E600 HydrophobicContact CE1-CG 4.31Å; F596-E600 HydrophobicContact CZ-CG 4.18Å; F596-E600 PolarHBondContact O-N 2.95Å |
| 597 | Q | 85.3 | Confident | 83.5 | Confident | 29 Ų | 29 | 81 Ų | 81 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.2 | -78.1 | -173.5 | -30.5 | 0 | 0 | 112.8 | Q556 I593 Q594 H595 E601 | Q556-Q597 HydrophobicContact CG-CG 4.23Å; Q556-Q597 PolarHBondContact NE2-O 3.28Å; Q556-Q597 PolarHBondContact O-NE2 2.91Å; Q556-Q597 VanDerWaalsContact O-NE2 3.11Å; I593-Q597 HydrophobicContact CG2-CG 4.32Å; I593-Q597 VanDerWaalsContact O-CB 3.3Å; I593-Q597 WeakPolarHBondContact O-CB 3.47Å; I593-Q597 VanDerWaalsContact O-CG 3.26Å; I593-Q597 WeakPolarHBondContact O-CG 3.44Å; I593-Q597 PolarHBondContact O-N 2.95Å; Q594-Q597 PolarHBondContact O-N 3.35Å; H595-Q597 VanDerWaalsContact C-N 3.29Å; H595-Q597 PolarHBondContact O-N 3.23Å; Q597-E601 WeakPolarHBondContact O-CB 3.49Å; Q597-E601 PolarHBondContact O-N 3.23Å |
| 598 | A | 83.2 | Confident | 84.1 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.1 | -35 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q594 H595 A602 | Q594-A598 WeakPolarHBondContact O-CB 3.33Å; Q594-A598 PolarHBondContact O-N 3.17Å; H595-A598 PolarHBondContact O-N 2.95Å; A598-A602 VanDerWaalsContact O-CB 3.26Å; A598-A602 WeakPolarHBondContact O-CB 3.49Å; A598-A602 PolarHBondContact O-N 2.95Å |
| 599 | E | 86.2 | Confident | 84.4 | Confident | 98 Ų | 98 | 79.9 Ų | 79.9 | 46% | 0.458 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | 175.2 | -175.3 | 167.9 | -168.1 | 0 | 0 | 111.6 | H595 F596 A602 N603 | H595-E599 IonicContact CE1-OE2 3.71Å; H595-E599 IonicContact ND1-OE2 2.66Å; H595-E599 WeakPolarHBondContact O-CB 3.19Å; H595-E599 PolarHBondContact O-N 2.94Å; F596-E599 PolarHBondContact O-N 2.89Å; E599-A602 CarbonylContact O-C 3.6Å; E599-A602 PolarHBondContact O-N 2.63Å; E599-N603 WeakPolarHBondContact O-CB 3.46Å; E599-N603 VanDerWaalsContact O-CG 3.22Å; E599-N603 PolarHBondContact O-N 2.93Å; E599-N603 PolarHBondContact O-ND2 3.14Å |
| 600 | E | 84.9 | Confident | 84.7 | Confident | 55 Ų | 55 | 82.5 Ų | 82.5 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72.1 | -31 | 175.3 | -81.7 | -66.6 | 92.9 | 0 | 0 | 113.4 | F552 F596 N603 L604 | F552-E600 HydrophobicContact CZ-CB 4.1Å; F596-E600 HydrophobicContact CE1-CG 4.31Å; F596-E600 HydrophobicContact CZ-CG 4.18Å; F596-E600 PolarHBondContact O-N 2.95Å; E600-N603 PolarHBondContact O-N 2.86Å; E600-N603 PolarHBondContact OE1-ND2 3.47Å; E600-L604 WeakPolarHBondContact O-CB 3.11Å; E600-L604 PolarHBondContact O-N 3.44Å |
| 601 | E | 86.4 | Confident | 85.1 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 28% | 0.28 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 167.6 | -173.9 | 179 | 177.8 | 0 | 0 | 110.9 | L549 F552 Q597 N603 L604 L605 | L549-E601 HydrophobicContact CD1-CG 4.15Å; F552-E601 HydrophobicContact CE1-CB 4.27Å; Q597-E601 WeakPolarHBondContact O-CB 3.49Å; Q597-E601 PolarHBondContact O-N 3.23Å; E601-N603 VanDerWaalsContact C-N 3.32Å; E601-N603 PolarHBondContact O-N 3.03Å; E601-L604 PolarHBondContact O-N 2.88Å; E601-L605 HydrophobicContact CG-CD1 4.1Å; E601-L605 WeakPolarHBondContact O-CB 3.24Å; E601-L605 VanDerWaalsContact O-CG 3.32Å; E601-L605 WeakPolarHBondContact O-CG 3.4Å; E601-L605 PolarHBondContact O-N 2.57Å |
| 602 | A | 85.4 | Confident | 85.4 | Confident | 43 Ų | 43 | 80.3 Ų | 80.3 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64 | -35 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A598 E599 R606 | A598-A602 VanDerWaalsContact O-CB 3.26Å; A598-A602 WeakPolarHBondContact O-CB 3.49Å; A598-A602 PolarHBondContact O-N 2.95Å; E599-A602 CarbonylContact O-C 3.6Å; E599-A602 PolarHBondContact O-N 2.63Å; A602-R606 VanDerWaalsContact O-CB 3.22Å; A602-R606 WeakPolarHBondContact O-CB 3.02Å; A602-R606 PolarHBondContact O-N 3.24Å |
| 603 | N | 87.2 | Confident | 85.5 | Confident | 33 Ų | 33 | 80.8 Ų | 80.8 | 18% | 0.176 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.2 | -41.1 | 173.6 | -73.2 | -26.3 | 0 | 0 | 0 | 111.7 | E599 E600 E601 R606 R607 | E599-N603 WeakPolarHBondContact O-CB 3.46Å; E599-N603 VanDerWaalsContact O-CG 3.22Å; E599-N603 PolarHBondContact O-N 2.93Å; E599-N603 PolarHBondContact O-ND2 3.14Å; E600-N603 PolarHBondContact O-N 2.86Å; E600-N603 PolarHBondContact OE1-ND2 3.47Å; E601-N603 VanDerWaalsContact C-N 3.32Å; E601-N603 PolarHBondContact O-N 3.03Å; N603-R606 PolarHBondContact O-N 3.06Å; N603-R607 WeakPolarHBondContact O-CB 3.24Å; N603-R607 VanDerWaalsContact O-CG 3.29Å; N603-R607 WeakPolarHBondContact O-CG 3.34Å; N603-R607 PolarHBondContact O-N 3.39Å |
| 604 | L | 87.1 | Confident | 85.8 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 173.4 | 177.6 | 60.6 | 0 | 0 | 0 | 111.1 | L549 F552 E600 E601 R606 R607 Q608 | L549-L604 HydrophobicContact CD1-CD2 4.08Å; F552-L604 HydrophobicContact CB-CD2 3.75Å; F552-L604 HydrophobicContact CD1-CD2 3.56Å; F552-L604 HydrophobicContact CD2-CD2 4.07Å; F552-L604 HydrophobicContact CE1-CD2 4.13Å; F552-L604 HydrophobicContact CG-CD2 3.52Å; E600-L604 WeakPolarHBondContact O-CB 3.11Å; E600-L604 PolarHBondContact O-N 3.44Å; E601-L604 PolarHBondContact O-N 2.88Å; L604-R606 VanDerWaalsContact C-N 3.28Å; L604-R606 PolarHBondContact O-N 3.06Å; L604-R607 PolarHBondContact O-N 2.92Å; L604-Q608 HydrophobicContact CD1-CG 4.15Å; L604-Q608 HydrophobicContact CG-CG 4.48Å; L604-Q608 WeakPolarHBondContact O-CB 3.46Å; L604-Q608 WeakPolarHBondContact O-CG 3.42Å; L604-Q608 PolarHBondContact O-N 3.46Å |
| 605 | L | 87.1 | Confident | 86 | Confident | 77 Ų | 77 | 77.1 Ų | 77.1 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.3 | -35.2 | 177.4 | -70.3 | 170.6 | 0 | 0 | 0 | 112.4 | L549 E601 R609 | L549-L605 HydrophobicContact CD1-CD2 4.19Å; L549-L605 HydrophobicContact CD1-CG 4.47Å; L549-L605 HydrophobicContact CD2-CD2 3.94Å; E601-L605 HydrophobicContact CG-CD1 4.1Å; E601-L605 WeakPolarHBondContact O-CB 3.24Å; E601-L605 VanDerWaalsContact O-CG 3.32Å; E601-L605 WeakPolarHBondContact O-CG 3.4Å; E601-L605 PolarHBondContact O-N 2.57Å; L605-R609 WeakPolarHBondContact O-CB 3.48Å; L605-R609 PolarHBondContact O-N 3.39Å |
| 606 | R | 86.5 | Confident | 86.2 | Confident | 145 Ų | 145 | 72 Ų | 72 | 55% | 0.547 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 174.3 | -166.3 | -175.7 | -52.4 | 162.6 | 10.8 | 111.6 | A602 N603 L604 R609 Q610 | A602-R606 VanDerWaalsContact O-CB 3.22Å; A602-R606 WeakPolarHBondContact O-CB 3.02Å; A602-R606 PolarHBondContact O-N 3.24Å; N603-R606 PolarHBondContact O-N 3.06Å; L604-R606 VanDerWaalsContact C-N 3.28Å; L604-R606 PolarHBondContact O-N 3.06Å; R606-R609 PolarHBondContact O-N 2.71Å; R606-Q610 WeakPolarHBondContact O-CG 3.46Å; R606-Q610 PolarHBondContact O-N 3.36Å |
| 607 | R | 86 | Confident | 86.4 | Confident | 149 Ų | 149 | 67 Ų | 67 | 56% | 0.562 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.9 | -44.6 | 174.9 | -71.2 | 171.5 | -173 | 155.9 | 8.4 | 111.5 | N603 L604 Q610 Y611 | N603-R607 WeakPolarHBondContact O-CB 3.24Å; N603-R607 VanDerWaalsContact O-CG 3.29Å; N603-R607 WeakPolarHBondContact O-CG 3.34Å; N603-R607 PolarHBondContact O-N 3.39Å; L604-R607 PolarHBondContact O-N 2.92Å; R607-Q610 PolarHBondContact O-N 2.94Å; R607-Y611 WeakPolarHBondContact O-CB 3.46Å; R607-Y611 PolarHBondContact O-N 3.05Å |
| 608 | Q | 88.1 | Confident | 86.5 | Confident | 15 Ų | 15 | 68.1 Ų | 68.1 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 177.1 | -76.8 | -174.6 | -23.9 | 0 | 0 | 112.1 | Q545 E548 L604 Y611 L612 | Q545-Q608 VanDerWaalsContact CA-NE2 3.34Å; Q545-Q608 HydrophobicContact CB-CG 4.31Å; Q545-Q608 HydrophobicContact CG-CB 4.07Å; Q545-Q608 HydrophobicContact CG-CG 3.88Å; Q545-Q608 PolarHBondContact NE2-O 2.94Å; Q545-Q608 PolarHBondContact O-NE2 3.36Å; E548-Q608 PolarHBondContact OE2-NE2 2.96Å; L604-Q608 HydrophobicContact CD1-CG 4.15Å; L604-Q608 HydrophobicContact CG-CG 4.48Å; L604-Q608 WeakPolarHBondContact O-CB 3.46Å; L604-Q608 WeakPolarHBondContact O-CG 3.42Å; L604-Q608 PolarHBondContact O-N 3.46Å; Q608-Y611 PolarHBondContact O-N 2.92Å; Q608-L612 WeakPolarHBondContact O-CB 3.35Å; Q608-L612 PolarHBondContact O-N 3.19Å |
| 609 | R | 86.3 | Confident | 86.8 | Confident | 165 Ų | 165 | 66.7 Ų | 66.7 | 62% | 0.623 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59.6 | -51.8 | 173.3 | -178.7 | -178.7 | -62.2 | -116.9 | 2.3 | 111.9 | L605 R606 Y611 L612 E613 | L605-R609 WeakPolarHBondContact O-CB 3.48Å; L605-R609 PolarHBondContact O-N 3.39Å; R606-R609 PolarHBondContact O-N 2.71Å; R609-Y611 VanDerWaalsContact C-N 3.29Å; R609-Y611 PolarHBondContact O-N 3.39Å; R609-L612 PolarHBondContact O-N 3.01Å; R609-E613 WeakPolarHBondContact CD-OE1 3.28Å; R609-E613 HydrophobicContact CG-CG 4.43Å; R609-E613 WeakPolarHBondContact CG-OE1 3.45Å; R609-E613 WeakPolarHBondContact O-CG 3.46Å; R609-E613 PolarHBondContact O-N 2.75Å |
| 610 | Q | 85.5 | Confident | 87 | Confident | 113 Ų | 113 | 65.8 Ų | 65.8 | 53% | 0.528 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 179.1 | -72.5 | 172.9 | -32 | 0 | 0 | 112.3 | R606 R607 L614 | R606-Q610 WeakPolarHBondContact O-CG 3.46Å; R606-Q610 PolarHBondContact O-N 3.36Å; R607-Q610 PolarHBondContact O-N 2.94Å; Q610-L614 VanDerWaalsContact O-CB 3.29Å; Q610-L614 WeakPolarHBondContact O-CB 3.37Å; Q610-L614 PolarHBondContact O-N 3.26Å |
| 611 | Y | 86.8 | Confident | 87.2 | Confident | 109 Ų | 109 | 65.1 Ų | 65.1 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65 | -47 | 175.1 | -179.7 | -98.8 | 0 | 0 | 0 | 112.4 | I541 R607 Q608 R609 E613 L614 E615 | I541-Y611 HydrophobicContact CG2-CD1 4.23Å; I541-Y611 HydrophobicContact CG2-CE1 4.27Å; R607-Y611 WeakPolarHBondContact O-CB 3.46Å; R607-Y611 PolarHBondContact O-N 3.05Å; Q608-Y611 PolarHBondContact O-N 2.92Å; R609-Y611 VanDerWaalsContact C-N 3.29Å; R609-Y611 PolarHBondContact O-N 3.39Å; Y611-E613 PolarHBondContact O-N 3.5Å; Y611-L614 PolarHBondContact O-N 3Å; Y611-E615 HydrophobicContact CD1-CG 4.43Å; Y611-E615 HydrophobicContact CD2-CG 4.32Å; Y611-E615 HydrophobicContact CE1-CG 3.97Å; Y611-E615 HydrophobicContact CE2-CG 3.83Å; Y611-E615 WeakPolarHBondContact O-CB 3.46Å; Y611-E615 PolarHBondContact O-N 3.3Å |
| 612 | L | 87 | Confident | 87.4 | Confident | 31 Ų | 31 | 68 Ų | 68 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.6 | 174.6 | 64.2 | 0 | 0 | 0 | 111.4 | I541 Q542 Q608 R609 C616 | I541-L612 HydrophobicContact CB-CD1 3.9Å; I541-L612 HydrophobicContact CD1-CD1 4.13Å; I541-L612 HydrophobicContact CG2-CB 4.22Å; I541-L612 HydrophobicContact CG2-CD1 3.67Å; Q542-L612 HydrophobicContact CG-CD2 4.33Å; Q608-L612 WeakPolarHBondContact O-CB 3.35Å; Q608-L612 PolarHBondContact O-N 3.19Å; R609-L612 PolarHBondContact O-N 3.01Å; L612-C616 VanDerWaalsContact O-CB 3.26Å; L612-C616 WeakPolarHBondContact O-CB 3.41Å; L612-C616 PolarHBondContact O-N 3Å; L612-C616 PolarHBondContact O-SG 3Å |
| 613 | E | 85.8 | Confident | 87.7 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 43% | 0.425 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 179.7 | -68.6 | 167.6 | -178.7 | 0 | 0 | 111.6 | R609 Y611 C616 R617 F888 | R609-E613 WeakPolarHBondContact CD-OE1 3.28Å; R609-E613 HydrophobicContact CG-CG 4.43Å; R609-E613 WeakPolarHBondContact CG-OE1 3.45Å; R609-E613 WeakPolarHBondContact O-CG 3.46Å; R609-E613 PolarHBondContact O-N 2.75Å; Y611-E613 PolarHBondContact O-N 3.5Å; E613-C616 PolarHBondContact O-N 3.48Å; E613-R617 PolarHBondContact O-N 2.95Å; E613-F888 HydrophobicContact CB-CZ 3.85Å |
| 614 | L | 86.6 | Confident | 87.9 | Confident | 30 Ų | 30 | 67.6 Ų | 67.6 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 175 | 174.6 | 63.1 | 0 | 0 | 0 | 112.3 | Q610 Y611 C616 R617 R618 F888 V892 L893 | Q610-L614 VanDerWaalsContact O-CB 3.29Å; Q610-L614 WeakPolarHBondContact O-CB 3.37Å; Q610-L614 PolarHBondContact O-N 3.26Å; Y611-L614 PolarHBondContact O-N 3Å; L614-C616 VanDerWaalsContact C-N 3.34Å; L614-C616 PolarHBondContact O-N 3.18Å; L614-R617 PolarHBondContact O-N 3.34Å; L614-R617 VanDerWaalsContact O-N 3.12Å; L614-R618 HydrophobicContact CD1-CG 4.48Å; L614-R618 PolarHBondContact O-N 3.13Å; L614-F888 HydrophobicContact CB-CD1 4.14Å; L614-F888 HydrophobicContact CB-CE1 3.88Å; L614-F888 HydrophobicContact CD1-CD1 3.75Å; L614-F888 HydrophobicContact CD1-CE1 4.36Å; L614-F888 HydrophobicContact CD1-CG 4.41Å; L614-V892 HydrophobicContact CD1-CG1 3.82Å; L614-V892 HydrophobicContact CD2-CG1 3.76Å; L614-V892 HydrophobicContact CG-CG1 4.41Å; L614-L893 HydrophobicContact CD1-CD2 3.93Å |
| 615 | E | 87.3 | Confident | 88.1 | Confident | 30 Ų | 30 | 69 Ų | 69 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.2 | -35.3 | 179.9 | -76 | -53.5 | 137.7 | 0 | 0 | 112 | F537 I541 Y611 R617 R618 F619 | F537-E615 HydrophobicContact CE1-CB 4.02Å; F537-E615 HydrophobicContact CZ-CB 4.08Å; I541-E615 HydrophobicContact CD1-CB 3.84Å; Y611-E615 HydrophobicContact CD1-CG 4.43Å; Y611-E615 HydrophobicContact CD2-CG 4.32Å; Y611-E615 HydrophobicContact CE1-CG 3.97Å; Y611-E615 HydrophobicContact CE2-CG 3.83Å; Y611-E615 WeakPolarHBondContact O-CB 3.46Å; Y611-E615 PolarHBondContact O-N 3.3Å; E615-R617 VanDerWaalsContact C-N 3.31Å; E615-R617 PolarHBondContact O-N 3.45Å; E615-R618 VanDerWaalsContact CD-CD 3.49Å; E615-R618 PolarHBondContact O-N 3.48Å; E615-R618 WeakPolarHBondContact OE1-CD 3.37Å; E615-R618 IonicContact OE1-CZ 3.63Å; E615-R618 IonicContact OE1-NE 3.64Å; E615-R618 PolarHBondContact OE1-NE 2.85Å; E615-R618 WeakPolarHBondContact OE2-CD 3.31Å; E615-F619 VanDerWaalsContact O-CB 3.29Å; E615-F619 WeakPolarHBondContact O-CB 3.48Å; E615-F619 PolarHBondContact O-N 2.79Å |
| 616 | C | 87.2 | Confident | 88.2 | Confident | 18 Ų | 18 | 67 Ų | 67 | 12% | 0.122 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 169.9 | -73.1 | 0 | 0 | 0 | 0 | 112 | Q538 L612 E613 L614 F619 K620 | Q538-C616 VanDerWaalsContact CG-SG 3.54Å; L612-C616 VanDerWaalsContact O-CB 3.26Å; L612-C616 WeakPolarHBondContact O-CB 3.41Å; L612-C616 PolarHBondContact O-N 3Å; L612-C616 PolarHBondContact O-SG 3Å; E613-C616 PolarHBondContact O-N 3.48Å; L614-C616 VanDerWaalsContact C-N 3.34Å; L614-C616 PolarHBondContact O-N 3.18Å; C616-F619 PolarHBondContact O-N 3.1Å; C616-K620 WeakPolarHBondContact O-CB 3.47Å; C616-K620 WeakPolarHBondContact O-CG 3.29Å; C616-K620 PolarHBondContact O-N 2.96Å |
| 617 | R | 88.8 | Confident | 88.4 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.8 | -42.8 | 176.6 | -159 | 73.4 | -172.2 | 180 | 5.4 | 111.8 | E613 L614 E615 F619 K620 R621 F879 E882 S883 F888 L893 | E613-R617 PolarHBondContact O-N 2.95Å; L614-R617 PolarHBondContact O-N 3.34Å; L614-R617 VanDerWaalsContact O-N 3.12Å; E615-R617 VanDerWaalsContact C-N 3.31Å; E615-R617 PolarHBondContact O-N 3.45Å; R617-F619 VanDerWaalsContact C-N 3.34Å; R617-F619 PolarHBondContact O-N 2.86Å; R617-K620 PolarHBondContact O-N 3.5Å; R617-R621 PolarHBondContact O-N 3.32Å; R617-F879 HydrophobicContact CG-CE1 4.2Å; R617-F879 HydrophobicContact CG-CZ 4.05Å; R617-F879 PolarHBondContact NH2-O 3.1Å; R617-E882 IonicContact CZ-OE2 3.75Å; R617-E882 IonicContact NH1-OE2 2.84Å; R617-E882 PolarHBondContact NH1-OE2 3.4Å; R617-E882 IonicContact NH2-OE2 3.88Å; R617-E882 PolarHBondContact NH2-OE2 3.4Å; R617-S883 PolarHBondContact NE-OG 2.6Å; R617-S883 PolarHBondContact NH2-OG 2.76Å; R617-F888 HydrophobicContact CG-CD2 4.4Å; R617-L893 HydrophobicContact CB-CD2 4.06Å; R617-L893 HydrophobicContact CG-CD2 3.97Å |
| 618 | R | 88 | Confident | 88.8 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 170.9 | -73.4 | 172.9 | 176 | -98.3 | 17.9 | 112.4 | L614 E615 R622 V892 L893 N895 | L614-R618 HydrophobicContact CD1-CG 4.48Å; L614-R618 PolarHBondContact O-N 3.13Å; E615-R618 VanDerWaalsContact CD-CD 3.49Å; E615-R618 PolarHBondContact O-N 3.48Å; E615-R618 WeakPolarHBondContact OE1-CD 3.37Å; E615-R618 IonicContact OE1-CZ 3.63Å; E615-R618 IonicContact OE1-NE 3.64Å; E615-R618 PolarHBondContact OE1-NE 2.85Å; E615-R618 WeakPolarHBondContact OE2-CD 3.31Å; R618-R622 WeakPolarHBondContact O-CG 3.4Å; R618-R622 PolarHBondContact O-N 3.05Å; R618-R622 VanDerWaalsContact O-N 3.13Å; R618-R622 PolarHBondContact O-NE 2.86Å; R618-V892 PolarHBondContact NE-O 3.11Å; R618-V892 PolarHBondContact NH1-O 3.34Å; R618-V892 PolarHBondContact NH2-O 2.99Å; R618-V892 VanDerWaalsContact NH2-O 3.16Å; R618-L893 HydrophobicContact CG-CD2 4.16Å; R618-N895 PolarHBondContact NH1-O 2.74Å |
| 619 | F | 89.4 | Confident | 89 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -50.3 | 175.7 | -174.1 | -92 | 0 | 0 | 0 | 110.7 | D533 E534 F537 E615 C616 R617 R621 R622 I623 | D533-F619 HydrophobicContact CB-CZ 4.18Å; E534-F619 HydrophobicContact CB-CD1 4.33Å; E534-F619 HydrophobicContact CB-CE1 3.85Å; E534-F619 HydrophobicContact CG-CD1 4.46Å; E534-F619 HydrophobicContact CG-CE1 4.47Å; F537-F619 HydrophobicContact CB-CD2 4.31Å; F537-F619 HydrophobicContact CB-CE2 4.2Å; F537-F619 HydrophobicContact CD1-CB 3.91Å; F537-F619 AromaticContact CD1-CD2 3.82Å; F537-F619 HydrophobicContact CD1-CD2 3.82Å; F537-F619 AromaticContact CD1-CG 3.85Å; F537-F619 HydrophobicContact CD1-CG 3.85Å; F537-F619 HydrophobicContact CD2-CD2 4.14Å; F537-F619 HydrophobicContact CD2-CE2 4.45Å; F537-F619 HydrophobicContact CE1-CB 3.73Å; F537-F619 HydrophobicContact CE1-CD2 4.12Å; F537-F619 HydrophobicContact CE1-CG 4.14Å; F537-F619 HydrophobicContact CE2-CD2 4.43Å; F537-F619 AromaticContact CG-CD2 3.83Å; F537-F619 HydrophobicContact CG-CD2 3.83Å; F537-F619 HydrophobicContact CG-CE2 4.15Å; F537-F619 HydrophobicContact CG-CG 4.29Å; F537-F619 HydrophobicContact CZ-CB 4.45Å; F537-F619 HydrophobicContact CZ-CD2 4.41Å; E615-F619 VanDerWaalsContact O-CB 3.29Å; E615-F619 WeakPolarHBondContact O-CB 3.48Å; E615-F619 PolarHBondContact O-N 2.79Å; C616-F619 PolarHBondContact O-N 3.1Å; R617-F619 VanDerWaalsContact C-N 3.34Å; R617-F619 PolarHBondContact O-N 2.86Å; F619-R621 VanDerWaalsContact C-N 3.32Å; F619-R621 PolarHBondContact O-N 3.09Å; F619-R622 WeakPolarHBondContact O-CB 3.38Å; F619-R622 PolarHBondContact O-N 2.98Å; F619-R622 VanDerWaalsContact O-N 3.1Å; F619-I623 HydrophobicContact CD1-CG1 3.89Å; F619-I623 HydrophobicContact CE1-CD1 4.02Å; F619-I623 HydrophobicContact CE1-CG1 3.55Å; F619-I623 HydrophobicContact CZ-CD1 3.93Å; F619-I623 HydrophobicContact CZ-CG1 3.97Å; F619-I623 WeakPolarHBondContact O-CG1 3.25Å; F619-I623 PolarHBondContact O-N 3.41Å |
| 620 | K | 89.6 | Confident | 89.3 | Confident | 79 Ų | 79 | 54.6 Ų | 54.6 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.3 | -40 | 176.9 | -74.9 | 177.6 | 179.3 | -176.1 | 0 | 113 | E534 C616 R617 I623 L624 F879 | E534-K620 WeakPolarHBondContact OE1-CE 3.17Å; E534-K620 IonicContact OE1-NZ 3.19Å; E534-K620 PolarHBondContact OE1-NZ 3.4Å; E534-K620 WeakPolarHBondContact OE2-CE 3.44Å; E534-K620 IonicContact OE2-NZ 3.98Å; E534-K620 PolarHBondContact OE2-NZ 3Å; C616-K620 WeakPolarHBondContact O-CB 3.47Å; C616-K620 WeakPolarHBondContact O-CG 3.29Å; C616-K620 PolarHBondContact O-N 2.96Å; R617-K620 PolarHBondContact O-N 3.5Å; K620-I623 PolarHBondContact O-N 2.88Å; K620-L624 WeakPolarHBondContact O-CB 3.46Å; K620-L624 PolarHBondContact O-N 3.22Å; K620-F879 HydrophobicContact CB-CE2 3.88Å; K620-F879 HydrophobicContact CB-CZ 3.78Å |
| 621 | R | 90 | Very high | 89.6 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 174.8 | -158 | 176.8 | -172.9 | -83.7 | -3.5 | 112.4 | R617 F619 L624 I625 F879 D880 | R617-R621 PolarHBondContact O-N 3.32Å; F619-R621 VanDerWaalsContact C-N 3.32Å; F619-R621 PolarHBondContact O-N 3.09Å; R621-L624 PolarHBondContact O-N 3.42Å; R621-I625 WeakPolarHBondContact O-CG1 3.2Å; R621-I625 PolarHBondContact O-N 3.18Å; R621-F879 HydrophobicContact CB-CD1 4.35Å; R621-F879 HydrophobicContact CB-CE1 3.62Å; R621-F879 HydrophobicContact CB-CZ 4.11Å; R621-F879 HydrophobicContact CG-CD1 4.09Å; R621-F879 HydrophobicContact CG-CE1 3.83Å; R621-D880 IonicContact CZ-OD1 3.75Å; R621-D880 IonicContact CZ-OD2 2.68Å; R621-D880 IonicContact NE-OD1 3.41Å; R621-D880 PolarHBondContact NE-OD1 3Å; R621-D880 IonicContact NE-OD2 3.32Å; R621-D880 PolarHBondContact NE-OD2 3.42Å; R621-D880 IonicContact NH2-OD1 3.78Å; R621-D880 IonicContact NH2-OD2 3.37Å; R621-D880 PolarHBondContact NH2-OD2 3.09Å |
| 622 | R | 90.2 | Very high | 90 | Very high | 119 Ų | 119 | 46.8 Ų | 46.8 | 45% | 0.449 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.9 | -74.3 | -179.3 | -73.2 | 172.4 | -5.2 | 112.2 | R618 F619 I625 A626 | R618-R622 WeakPolarHBondContact O-CG 3.4Å; R618-R622 PolarHBondContact O-N 3.05Å; R618-R622 VanDerWaalsContact O-N 3.13Å; R618-R622 PolarHBondContact O-NE 2.86Å; F619-R622 WeakPolarHBondContact O-CB 3.38Å; F619-R622 PolarHBondContact O-N 2.98Å; F619-R622 VanDerWaalsContact O-N 3.1Å; R622-I625 PolarHBondContact O-N 3.18Å; R622-A626 WeakPolarHBondContact O-CB 3.33Å; R622-A626 PolarHBondContact O-N 3.44Å |
| 623 | I | 90.9 | Very high | 90.3 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | 177.4 | -65.7 | -57.9 | 0 | 0 | 0 | 111.9 | F530 F619 K620 A626 R627 | F530-I623 HydrophobicContact CB-CD1 4.44Å; F530-I623 HydrophobicContact CB-CG2 3.76Å; F530-I623 HydrophobicContact CD1-CD1 3.71Å; F530-I623 HydrophobicContact CD1-CG2 4.21Å; F530-I623 HydrophobicContact CD2-CG2 3.63Å; F530-I623 HydrophobicContact CE1-CD1 4.19Å; F530-I623 HydrophobicContact CE2-CG2 4.24Å; F530-I623 HydrophobicContact CG-CD1 4.17Å; F530-I623 HydrophobicContact CG-CG2 3.61Å; F619-I623 HydrophobicContact CD1-CG1 3.89Å; F619-I623 HydrophobicContact CE1-CD1 4.02Å; F619-I623 HydrophobicContact CE1-CG1 3.55Å; F619-I623 HydrophobicContact CZ-CD1 3.93Å; F619-I623 HydrophobicContact CZ-CG1 3.97Å; F619-I623 WeakPolarHBondContact O-CG1 3.25Å; F619-I623 PolarHBondContact O-N 3.41Å; K620-I623 PolarHBondContact O-N 2.88Å; I623-A626 PolarHBondContact O-N 3.17Å; I623-R627 WeakPolarHBondContact O-CB 3.5Å; I623-R627 PolarHBondContact O-N 3.49Å |
| 624 | L | 90.7 | Very high | 90.7 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 175.4 | -178.8 | 61.2 | 0 | 0 | 0 | 111.3 | K620 R621 A626 R627 H628 I876 F879 | K620-L624 WeakPolarHBondContact O-CB 3.46Å; K620-L624 PolarHBondContact O-N 3.22Å; R621-L624 PolarHBondContact O-N 3.42Å; L624-A626 PolarHBondContact O-N 3.3Å; L624-R627 PolarHBondContact O-N 3.45Å; L624-H628 VanDerWaalsContact O-CG 3.29Å; L624-H628 PolarHBondContact O-N 2.87Å; L624-I876 HydrophobicContact CD2-CG1 4.33Å; L624-F879 HydrophobicContact CD2-CB 3.92Å; L624-F879 HydrophobicContact CD2-CD2 4.22Å; L624-F879 HydrophobicContact CD2-CG 4.05Å |
| 625 | I | 91.3 | Very high | 91 | Very high | 60 Ų | 60 | 45.6 Ų | 45.6 | 31% | 0.308 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.3 | -40.7 | 177.5 | -64.7 | 165.6 | 0 | 0 | 0 | 111.3 | R621 R622 H628 N629 | R621-I625 WeakPolarHBondContact O-CG1 3.2Å; R621-I625 PolarHBondContact O-N 3.18Å; R622-I625 PolarHBondContact O-N 3.18Å; I625-H628 PolarHBondContact O-N 2.99Å; I625-N629 PolarHBondContact O-N 3.35Å |
| 626 | A | 90.8 | Very high | 91.4 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 31% | 0.306 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.8 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R622 I623 L624 N629 V630 | R622-A626 WeakPolarHBondContact O-CB 3.33Å; R622-A626 PolarHBondContact O-N 3.44Å; I623-A626 PolarHBondContact O-N 3.17Å; L624-A626 PolarHBondContact O-N 3.3Å; A626-N629 PolarHBondContact O-N 3.36Å; A626-V630 PolarHBondContact O-N 2.74Å; A626-V630 VanDerWaalsContact O-N 3.16Å |
| 627 | R | 90.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 52.5 Ų | 52.5 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 172.7 | 176.4 | -177.5 | 161.2 | -157.6 | -13 | 111.6 | F530 I623 L624 N629 V630 E631 | F530-R627 HydrophobicContact CE2-CB 4.25Å; I623-R627 WeakPolarHBondContact O-CB 3.5Å; I623-R627 PolarHBondContact O-N 3.49Å; L624-R627 PolarHBondContact O-N 3.45Å; R627-N629 VanDerWaalsContact C-N 3.32Å; R627-N629 PolarHBondContact O-N 3.1Å; R627-V630 PolarHBondContact O-N 3.04Å; R627-E631 HydrophobicContact CG-CG 4.41Å; R627-E631 IonicContact CZ-OE1 2.74Å; R627-E631 IonicContact NE-OE1 3.41Å; R627-E631 PolarHBondContact NE-OE1 3.05Å; R627-E631 IonicContact NH2-OE1 2.72Å; R627-E631 PolarHBondContact NH2-OE1 2.91Å; R627-E631 WeakPolarHBondContact O-CG 3.47Å; R627-E631 PolarHBondContact O-N 3.44Å |
| 628 | H | 93.9 | Very high | 92 | Very high | 5 Ų | 5 | 52 Ų | 52 | 2% | 0.023 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 178.3 | -73.2 | 174.1 | 0 | 0 | 0 | 112.6 | L624 I625 E631 Q632 Q872 E875 | L624-H628 VanDerWaalsContact O-CG 3.29Å; L624-H628 PolarHBondContact O-N 2.87Å; I625-H628 PolarHBondContact O-N 2.99Å; H628-E631 IonicContact CD2-OE2 2.6Å; H628-E631 PolarHBondContact O-N 3.45Å; H628-Q632 WeakPolarHBondContact O-CG 3.48Å; H628-Q632 PolarHBondContact O-N 3.3Å; H628-Q872 VanDerWaalsContact CA-NE2 3.35Å; H628-Q872 HydrophobicContact CB-CG 4.12Å; H628-Q872 PolarHBondContact CE1-O 3.47Å; H628-Q872 PolarHBondContact O-NE2 2.95Å; H628-E875 IonicContact CD2-OE2 3.66Å; H628-E875 IonicContact CE1-OE2 3.24Å; H628-E875 IonicContact NE2-OE2 2.7Å; H628-E875 PolarHBondContact NE2-OE2 3.09Å |
| 629 | N | 92.4 | Very high | 92.3 | Very high | 82 Ų | 82 | 50.1 Ų | 50.1 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 173.1 | -67.2 | -19.2 | 0 | 0 | 0 | 111.7 | I625 A626 R627 E631 Q632 D633 | I625-N629 PolarHBondContact O-N 3.35Å; A626-N629 PolarHBondContact O-N 3.36Å; R627-N629 VanDerWaalsContact C-N 3.32Å; R627-N629 PolarHBondContact O-N 3.1Å; N629-E631 VanDerWaalsContact C-N 3.34Å; N629-E631 PolarHBondContact O-N 3.48Å; N629-Q632 WeakPolarHBondContact O-CB 3.43Å; N629-Q632 PolarHBondContact O-N 2.91Å; N629-Q632 VanDerWaalsContact O-N 3.11Å; N629-D633 PolarHBondContact O-N 3.07Å |
| 630 | V | 92 | Very high | 92.6 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 26% | 0.261 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L523 A626 R627 Q632 D633 L634 | L523-V630 HydrophobicContact CD2-CG1 4.19Å; A626-V630 PolarHBondContact O-N 2.74Å; A626-V630 VanDerWaalsContact O-N 3.16Å; R627-V630 PolarHBondContact O-N 3.04Å; V630-Q632 VanDerWaalsContact C-N 3.29Å; V630-Q632 PolarHBondContact O-N 3Å; V630-D633 PolarHBondContact O-N 3.26Å; V630-L634 HydrophobicContact CG1-CD1 3.8Å; V630-L634 HydrophobicContact CG1-CG 4.16Å; V630-L634 VanDerWaalsContact O-CG 3.26Å; V630-L634 WeakPolarHBondContact O-CG 3.41Å; V630-L634 PolarHBondContact O-N 2.76Å |
| 631 | E | 92.4 | Very high | 92.8 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -34.3 | 175.6 | -73.8 | 178.7 | 177.8 | 0 | 0 | 113 | L523 R627 H628 N629 A635 R871 Q872 | L523-E631 HydrophobicContact CD2-CG 3.99Å; R627-E631 HydrophobicContact CG-CG 4.41Å; R627-E631 IonicContact CZ-OE1 2.74Å; R627-E631 IonicContact NE-OE1 3.41Å; R627-E631 PolarHBondContact NE-OE1 3.05Å; R627-E631 IonicContact NH2-OE1 2.72Å; R627-E631 PolarHBondContact NH2-OE1 2.91Å; R627-E631 WeakPolarHBondContact O-CG 3.47Å; R627-E631 PolarHBondContact O-N 3.44Å; H628-E631 IonicContact CD2-OE2 2.6Å; H628-E631 PolarHBondContact O-N 3.45Å; N629-E631 VanDerWaalsContact C-N 3.34Å; N629-E631 PolarHBondContact O-N 3.48Å; E631-A635 VanDerWaalsContact O-CB 3.3Å; E631-A635 WeakPolarHBondContact O-CB 3.37Å; E631-A635 PolarHBondContact O-N 3.23Å; E631-A635 VanDerWaalsContact O-N 3.11Å; E631-R871 IonicContact OE2-CZ 3.6Å; E631-R871 IonicContact OE2-NH1 3.47Å; E631-R871 PolarHBondContact OE2-NH1 3.43Å; E631-R871 VanDerWaalsContact OE2-NH1 3.12Å; E631-R871 IonicContact OE2-NH2 2.74Å; E631-R871 PolarHBondContact OE2-NH2 3.02Å; E631-Q872 PolarHBondContact OE2-NE2 3.33Å |
| 632 | Q | 94.4 | Very high | 93 | Very high | 38 Ų | 38 | 54 Ų | 54 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69 | -42.6 | 172.7 | -72.5 | 177.7 | 31.2 | 0 | 0 | 112.3 | H628 N629 V630 A635 R636 L868 | H628-Q632 WeakPolarHBondContact O-CG 3.48Å; H628-Q632 PolarHBondContact O-N 3.3Å; N629-Q632 WeakPolarHBondContact O-CB 3.43Å; N629-Q632 PolarHBondContact O-N 2.91Å; N629-Q632 VanDerWaalsContact O-N 3.11Å; V630-Q632 VanDerWaalsContact C-N 3.29Å; V630-Q632 PolarHBondContact O-N 3Å; Q632-A635 PolarHBondContact O-N 3.24Å; Q632-R636 VanDerWaalsContact O-CG 3.25Å; Q632-R636 WeakPolarHBondContact O-CG 3.5Å; Q632-R636 PolarHBondContact O-N 2.91Å; Q632-L868 HydrophobicContact CG-CD2 4.06Å |
| 633 | D | 93.9 | Very high | 93.2 | Very high | 89 Ų | 89 | 49.9 Ų | 49.9 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.9 | -36.6 | -178.9 | -73.6 | -33.5 | 0 | 0 | 0 | 112.7 | N629 V630 R636 E637 | N629-D633 PolarHBondContact O-N 3.07Å; V630-D633 PolarHBondContact O-N 3.26Å; D633-R636 PolarHBondContact O-N 2.75Å; D633-R636 IonicContact OD1-CZ 2.71Å; D633-R636 IonicContact OD1-NH1 2.72Å; D633-R636 PolarHBondContact OD1-NH1 3.38Å; D633-E637 PolarHBondContact O-N 2.92Å |
| 634 | L | 94.1 | Very high | 93.4 | Very high | 23 Ų | 23 | 51 Ų | 51 | 12% | 0.12 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 170.4 | -62.3 | 172.5 | 0 | 0 | 0 | 111 | H519 L523 V630 R636 E637 E638 | H519-L634 HydrophobicContact CB-CD1 4.44Å; H519-L634 HydrophobicContact CB-CD2 4.31Å; H519-L634 VanDerWaalsContact CD2-CD2 3.43Å; H519-L634 WeakPolarHBondContact CD2-CD2 3.37Å; H519-L634 PolarHBondContact CE1-O 2.73Å; L523-L634 HydrophobicContact CD1-CD1 4.1Å; L523-L634 HydrophobicContact CD2-CD1 3.8Å; L523-L634 HydrophobicContact CG-CD1 3.7Å; V630-L634 HydrophobicContact CG1-CD1 3.8Å; V630-L634 HydrophobicContact CG1-CG 4.16Å; V630-L634 VanDerWaalsContact O-CG 3.26Å; V630-L634 WeakPolarHBondContact O-CG 3.41Å; V630-L634 PolarHBondContact O-N 2.76Å; L634-R636 VanDerWaalsContact C-N 3.32Å; L634-R636 PolarHBondContact O-N 3.28Å; L634-E637 PolarHBondContact O-N 2.88Å; L634-E638 PolarHBondContact O-N 3.44Å |
| 635 | A | 93.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -33.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E631 Q632 L639 L868 | E631-A635 VanDerWaalsContact O-CB 3.3Å; E631-A635 WeakPolarHBondContact O-CB 3.37Å; E631-A635 PolarHBondContact O-N 3.23Å; E631-A635 VanDerWaalsContact O-N 3.11Å; Q632-A635 PolarHBondContact O-N 3.24Å; A635-L639 WeakPolarHBondContact O-CB 3.15Å; A635-L639 WeakPolarHBondContact O-CD1 3.41Å; A635-L639 VanDerWaalsContact O-CG 3.25Å; A635-L639 WeakPolarHBondContact O-CG 3.46Å; A635-L639 PolarHBondContact O-N 2.93Å; A635-L868 HydrophobicContact CB-CD2 3.74Å |
| 636 | R | 94.3 | Very high | 93.8 | Very high | 119 Ų | 119 | 50.4 Ų | 50.4 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 171.5 | -72.1 | 164.5 | -174.2 | 145.1 | 8.4 | 111.4 | Q632 D633 L634 N640 | Q632-R636 VanDerWaalsContact O-CG 3.25Å; Q632-R636 WeakPolarHBondContact O-CG 3.5Å; Q632-R636 PolarHBondContact O-N 2.91Å; D633-R636 PolarHBondContact O-N 2.75Å; D633-R636 IonicContact OD1-CZ 2.71Å; D633-R636 IonicContact OD1-NH1 2.72Å; D633-R636 PolarHBondContact OD1-NH1 3.38Å; L634-R636 VanDerWaalsContact C-N 3.32Å; L634-R636 PolarHBondContact O-N 3.28Å; R636-N640 VanDerWaalsContact O-CB 3.25Å; R636-N640 WeakPolarHBondContact O-CB 3.33Å; R636-N640 PolarHBondContact O-N 3Å; R636-N640 PolarHBondContact O-ND2 2.83Å |
| 637 | E | 95.1 | Very high | 93.9 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 35% | 0.346 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 175.1 | -168 | -179.9 | -161.3 | 0 | 0 | 111.1 | L515 K518 H519 D633 L634 K641 | L515-E637 HydrophobicContact CD1-CG 4.14Å; K518-E637 IonicContact NZ-OE1 3.45Å; K518-E637 PolarHBondContact NZ-OE1 2.95Å; K518-E637 IonicContact NZ-OE2 3.98Å; K518-E637 PolarHBondContact NZ-OE2 2.8Å; H519-E637 IonicContact CD2-OE2 3.9Å; H519-E637 IonicContact CE1-OE2 3.16Å; H519-E637 IonicContact NE2-OE2 3.26Å; H519-E637 PolarHBondContact NE2-OE2 3.1Å; D633-E637 PolarHBondContact O-N 2.92Å; L634-E637 PolarHBondContact O-N 2.88Å; E637-K641 WeakPolarHBondContact O-CB 3.45Å; E637-K641 PolarHBondContact O-N 2.85Å |
| 638 | E | 94.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.3 | -53.3 | 176.4 | -168.2 | -163.2 | 164.2 | 0 | 0 | 111.9 | M512 L516 L634 N640 K641 R642 | M512-E638 HydrophobicContact CE-CG 3.39Å; L516-E638 HydrophobicContact CD2-CG 4.43Å; L634-E638 PolarHBondContact O-N 3.44Å; E638-N640 PolarHBondContact O-N 3.42Å; E638-K641 PolarHBondContact O-N 2.7Å; E638-K641 VanDerWaalsContact O-N 3.16Å; E638-R642 PolarHBondContact O-N 2.94Å; E638-R642 IonicContact OE1-CZ 3.23Å; E638-R642 IonicContact OE1-NE 3.07Å; E638-R642 PolarHBondContact OE1-NE 2.83Å; E638-R642 VanDerWaalsContact OE1-NE 3.13Å; E638-R642 IonicContact OE1-NH2 3.41Å; E638-R642 PolarHBondContact OE1-NH2 3.18Å |
| 639 | L | 94.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -37.6 | -176.6 | -71.4 | 167.4 | 0 | 0 | 0 | 112.2 | A635 R642 Q643 R861 R864 I865 | A635-L639 WeakPolarHBondContact O-CB 3.15Å; A635-L639 WeakPolarHBondContact O-CD1 3.41Å; A635-L639 VanDerWaalsContact O-CG 3.25Å; A635-L639 WeakPolarHBondContact O-CG 3.46Å; A635-L639 PolarHBondContact O-N 2.93Å; L639-R642 PolarHBondContact O-N 3.45Å; L639-Q643 PolarHBondContact O-N 3.42Å; L639-Q643 VanDerWaalsContact O-N 3.07Å; L639-R861 HydrophobicContact CB-CG 4.41Å; L639-R861 HydrophobicContact CD1-CG 4.17Å; L639-R861 HydrophobicContact CD2-CB 4.37Å; L639-R861 HydrophobicContact CD2-CG 4.38Å; L639-R864 HydrophobicContact CD1-CB 4.35Å; L639-R864 HydrophobicContact CD1-CG 4.24Å; L639-R864 HydrophobicContact CD2-CB 4.37Å; L639-R864 HydrophobicContact CD2-CG 4.31Å; L639-I865 HydrophobicContact CD1-CD1 4.15Å; L639-I865 HydrophobicContact CD1-CG1 3.84Å |
| 640 | N | 94.9 | Very high | 94.4 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 172.4 | -73.6 | -19 | 0 | 0 | 0 | 111.6 | R636 E638 Q643 T644 R861 | R636-N640 VanDerWaalsContact O-CB 3.25Å; R636-N640 WeakPolarHBondContact O-CB 3.33Å; R636-N640 PolarHBondContact O-N 3Å; R636-N640 PolarHBondContact O-ND2 2.83Å; E638-N640 PolarHBondContact O-N 3.42Å; N640-Q643 WeakPolarHBondContact O-CB 3.35Å; N640-Q643 PolarHBondContact O-N 3.03Å; N640-T644 PolarHBondContact O-N 3.16Å; N640-T644 PolarHBondContact O-OG1 3.37Å; N640-R861 PolarHBondContact OD1-NH2 3.1Å |
| 641 | K | 94.9 | Very high | 94.6 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 25% | 0.248 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 176.2 | -174.1 | 59.9 | 176.1 | 169.4 | 0 | 111.4 | E511 M512 L515 E637 E638 Q643 T644 Q645 | E511-K641 IonicContact OE1-NZ 3.12Å; E511-K641 WeakPolarHBondContact OE2-CE 3.49Å; E511-K641 IonicContact OE2-NZ 2.73Å; E511-K641 PolarHBondContact OE2-NZ 3.01Å; M512-K641 HydrophobicContact SD-CG 4.26Å; L515-K641 HydrophobicContact CD2-CB 3.68Å; L515-K641 HydrophobicContact CD2-CG 3.82Å; E637-K641 WeakPolarHBondContact O-CB 3.45Å; E637-K641 PolarHBondContact O-N 2.85Å; E638-K641 PolarHBondContact O-N 2.7Å; E638-K641 VanDerWaalsContact O-N 3.16Å; K641-Q643 VanDerWaalsContact C-N 3.31Å; K641-Q643 PolarHBondContact O-N 2.74Å; K641-T644 PolarHBondContact O-N 2.69Å; K641-T644 PolarHBondContact O-OG1 2.68Å; K641-Q645 HydrophobicContact CD-CG 4.49Å; K641-Q645 WeakPolarHBondContact O-CG 3.31Å; K641-Q645 PolarHBondContact O-N 2.69Å |
| 642 | R | 94.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 49.1 Ų | 49.1 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -55.5 | -44.9 | 173.7 | -67.5 | -176.3 | -174.6 | -139.3 | 1.2 | 112 | M512 E638 L639 Q645 K646 L857 | M512-R642 HydrophobicContact CE-CG 3.52Å; E638-R642 PolarHBondContact O-N 2.94Å; E638-R642 IonicContact OE1-CZ 3.23Å; E638-R642 IonicContact OE1-NE 3.07Å; E638-R642 PolarHBondContact OE1-NE 2.83Å; E638-R642 VanDerWaalsContact OE1-NE 3.13Å; E638-R642 IonicContact OE1-NH2 3.41Å; E638-R642 PolarHBondContact OE1-NH2 3.18Å; L639-R642 PolarHBondContact O-N 3.45Å; R642-Q645 PolarHBondContact O-N 2.69Å; R642-K646 PolarHBondContact O-N 2.73Å; R642-L857 HydrophobicContact CB-CD1 4.45Å |
| 643 | Q | 94.6 | Very high | 94.8 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.9 | -58.1 | 175 | -170.7 | 67.1 | 67.7 | 0 | 0 | 110.9 | L639 N640 K641 Q645 K646 D647 M854 | L639-Q643 PolarHBondContact O-N 3.42Å; L639-Q643 VanDerWaalsContact O-N 3.07Å; N640-Q643 WeakPolarHBondContact O-CB 3.35Å; N640-Q643 PolarHBondContact O-N 3.03Å; K641-Q643 VanDerWaalsContact C-N 3.31Å; K641-Q643 PolarHBondContact O-N 2.74Å; Q643-Q645 PolarHBondContact O-N 3.39Å; Q643-Q645 VanDerWaalsContact O-N 3.14Å; Q643-K646 PolarHBondContact O-N 3.05Å; Q643-D647 PolarHBondContact NE2-OD1 2.87Å; Q643-D647 PolarHBondContact O-N 3.26Å; Q643-M854 VanDerWaalsContact NE2-CE 3.31Å; Q643-M854 PolarHBondContact NE2-SD 2.84Å; Q643-M854 VanDerWaalsContact NE2-SD 3.36Å |
| 644 | T | 94.8 | Very high | 95 | Very high | 61 Ų | 61 | 47 Ų | 47 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.1 | -30.2 | -178.4 | 59 | 0 | 0 | 0 | 0 | 114 | N640 K641 L648 | N640-T644 PolarHBondContact O-N 3.16Å; N640-T644 PolarHBondContact O-OG1 3.37Å; K641-T644 PolarHBondContact O-N 2.69Å; K641-T644 PolarHBondContact O-OG1 2.68Å; T644-L648 WeakPolarHBondContact O-CB 3.21Å; T644-L648 WeakPolarHBondContact O-CD1 3.45Å; T644-L648 WeakPolarHBondContact O-CG 3.47Å; T644-L648 PolarHBondContact O-N 3.14Å |
| 645 | Q | 94.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 9% | 0.093 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.1 | -40.8 | 175 | -72.4 | 179.4 | -28.3 | 0 | 0 | 111.6 | F508 K641 R642 Q643 E649 | F508-Q645 HydrophobicContact CB-CG 4.16Å; F508-Q645 HydrophobicContact CD1-CB 4.4Å; F508-Q645 HydrophobicContact CD1-CG 3.81Å; F508-Q645 HydrophobicContact CD2-CB 3.84Å; F508-Q645 HydrophobicContact CD2-CG 4.12Å; F508-Q645 HydrophobicContact CE1-CG 4.18Å; F508-Q645 HydrophobicContact CE2-CB 4.04Å; F508-Q645 HydrophobicContact CE2-CG 4.47Å; F508-Q645 WeakPolarHBondContact CE2-O 3.43Å; F508-Q645 HydrophobicContact CG-CB 4.03Å; F508-Q645 HydrophobicContact CG-CG 3.77Å; F508-Q645 HydrophobicContact CZ-CB 4.4Å; F508-Q645 HydrophobicContact CZ-CG 4.5Å; F508-Q645 PolarHBondContact O-NE2 2.88Å; K641-Q645 HydrophobicContact CD-CG 4.49Å; K641-Q645 WeakPolarHBondContact O-CG 3.31Å; K641-Q645 PolarHBondContact O-N 2.69Å; R642-Q645 PolarHBondContact O-N 2.69Å; Q643-Q645 PolarHBondContact O-N 3.39Å; Q643-Q645 VanDerWaalsContact O-N 3.14Å; Q645-E649 PolarHBondContact O-N 3.06Å |
| 646 | K | 94 | Very high | 95.3 | Very high | 59 Ų | 59 | 53 Ų | 53 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.3 | -44.9 | 174.7 | -89.6 | -74.3 | 174.3 | -166.4 | 0 | 112.6 | R642 Q643 L648 E649 H650 E853 L857 | R642-K646 PolarHBondContact O-N 2.73Å; Q643-K646 PolarHBondContact O-N 3.05Å; K646-L648 PolarHBondContact O-N 2.81Å; K646-E649 WeakPolarHBondContact CE-OE2 3.41Å; K646-E649 IonicContact NZ-OE2 3.43Å; K646-E649 PolarHBondContact NZ-OE2 3.09Å; K646-E649 PolarHBondContact O-N 2.88Å; K646-E649 VanDerWaalsContact O-N 3.1Å; K646-H650 VanDerWaalsContact O-CG 3.28Å; K646-H650 PolarHBondContact O-N 2.86Å; K646-H650 PolarHBondContact O-ND1 3.07Å; K646-E853 IonicContact NZ-OE2 3.89Å; K646-E853 PolarHBondContact NZ-OE2 2.65Å; K646-L857 HydrophobicContact CB-CD2 3.94Å; K646-L857 HydrophobicContact CG-CD2 4.09Å |
| 647 | D | 94.8 | Very high | 95.4 | Very high | 63 Ų | 63 | 47.9 Ų | 47.9 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -53.9 | -42.4 | 175.4 | -53.3 | -26.8 | 0 | 0 | 0 | 111.2 | Q643 A651 | Q643-D647 PolarHBondContact NE2-OD1 2.87Å; Q643-D647 PolarHBondContact O-N 3.26Å; D647-A651 WeakPolarHBondContact O-CB 3.29Å; D647-A651 PolarHBondContact O-N 3.02Å |
| 648 | L | 95.5 | Very high | 95.4 | Very high | 92 Ų | 92 | 48.2 Ų | 48.2 | 48% | 0.482 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.5 | -35.5 | 178 | -73.5 | 170.3 | 0 | 0 | 0 | 113.7 | F508 T644 K646 M652 | F508-L648 HydrophobicContact CE1-CD1 4.21Å; F508-L648 HydrophobicContact CE2-CB 4.38Å; F508-L648 HydrophobicContact CZ-CB 3.66Å; F508-L648 HydrophobicContact CZ-CD1 4.08Å; T644-L648 WeakPolarHBondContact O-CB 3.21Å; T644-L648 WeakPolarHBondContact O-CD1 3.45Å; T644-L648 WeakPolarHBondContact O-CG 3.47Å; T644-L648 PolarHBondContact O-N 3.14Å; K646-L648 PolarHBondContact O-N 2.81Å; L648-M652 WeakPolarHBondContact O-CB 3.37Å; L648-M652 PolarHBondContact O-N 3.27Å |
| 649 | E | 95.1 | Very high | 95.5 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 172.7 | -175.5 | 177.2 | -151.6 | 0 | 0 | 110.3 | R505 F508 Q645 K646 M652 L653 | R505-E649 IonicContact CZ-OE1 2.76Å; R505-E649 IonicContact NE-OE1 3.78Å; R505-E649 PolarHBondContact NE-OE1 2.96Å; R505-E649 IonicContact NH2-OE1 3.65Å; R505-E649 PolarHBondContact NH2-OE1 3.43Å; F508-E649 HydrophobicContact CE2-CB 4.41Å; Q645-E649 PolarHBondContact O-N 3.06Å; K646-E649 WeakPolarHBondContact CE-OE2 3.41Å; K646-E649 IonicContact NZ-OE2 3.43Å; K646-E649 PolarHBondContact NZ-OE2 3.09Å; K646-E649 PolarHBondContact O-N 2.88Å; K646-E649 VanDerWaalsContact O-N 3.1Å; E649-M652 PolarHBondContact O-N 3.13Å; E649-M652 VanDerWaalsContact O-N 3.14Å; E649-L653 HydrophobicContact CG-CD1 4.27Å; E649-L653 WeakPolarHBondContact O-CG 3.33Å; E649-L653 PolarHBondContact O-N 2.87Å |
| 650 | H | 95.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 178.1 | -62.7 | 161.9 | 0 | 0 | 0 | 112.1 | K646 M652 L653 L654 I850 E853 | K646-H650 VanDerWaalsContact O-CG 3.28Å; K646-H650 PolarHBondContact O-N 2.86Å; K646-H650 PolarHBondContact O-ND1 3.07Å; H650-M652 PolarHBondContact O-N 3.43Å; H650-L653 PolarHBondContact O-N 3.28Å; H650-L654 WeakPolarHBondContact O-CG 3.3Å; H650-L654 PolarHBondContact O-N 3.28Å; H650-I850 HydrophobicContact CB-CD1 4.05Å; H650-I850 HydrophobicContact CB-CG1 3.98Å; H650-I850 HydrophobicContact CB-CG2 4.1Å; H650-E853 IonicContact CD2-OE2 2.76Å; H650-E853 IonicContact CE1-OE2 2.75Å; H650-E853 IonicContact NE2-OE2 3.54Å; H650-E853 PolarHBondContact NE2-OE2 3.07Å |
| 651 | A | 96.1 | Very high | 95.7 | Very high | 43 Ų | 43 | 49.3 Ų | 49.3 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.9 | -22.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D647 R655 | D647-A651 WeakPolarHBondContact O-CB 3.29Å; D647-A651 PolarHBondContact O-N 3.02Å; A651-R655 WeakPolarHBondContact O-CG 3.46Å; A651-R655 PolarHBondContact O-NE 3.29Å |
| 652 | M | 95.8 | Very high | 95.8 | Very high | 18 Ų | 18 | 52.2 Ų | 52.2 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -81.3 | -41.5 | 170.8 | -162.5 | 161.8 | 78.5 | 0 | 0 | 112 | E500 L501 L504 L648 E649 H650 L654 R655 H656 | E500-M652 HydrophobicContact CB-CE 4.4Å; L501-M652 VanDerWaalsContact CA-CE 3.48Å; L501-M652 HydrophobicContact CB-CE 4.31Å; L501-M652 HydrophobicContact CD2-CE 3.7Å; L501-M652 HydrophobicContact CG-CE 3.93Å; L504-M652 HydrophobicContact CB-CE 3.74Å; L504-M652 HydrophobicContact CD2-CB 4.36Å; L504-M652 HydrophobicContact CD2-CE 3.53Å; L504-M652 HydrophobicContact CD2-SD 3.93Å; L504-M652 HydrophobicContact CG-CE 4.25Å; L648-M652 WeakPolarHBondContact O-CB 3.37Å; L648-M652 PolarHBondContact O-N 3.27Å; E649-M652 PolarHBondContact O-N 3.13Å; E649-M652 VanDerWaalsContact O-N 3.14Å; H650-M652 PolarHBondContact O-N 3.43Å; M652-L654 VanDerWaalsContact C-N 3.28Å; M652-L654 PolarHBondContact O-N 3.13Å; M652-R655 PolarHBondContact O-N 3.35Å; M652-H656 WeakPolarHBondContact O-CB 3.41Å; M652-H656 VanDerWaalsContact O-CG 3.29Å; M652-H656 PolarHBondContact O-N 2.82Å |
| 653 | L | 96.2 | Very high | 95.9 | Very high | 38 Ų | 38 | 48.3 Ų | 48.3 | 20% | 0.199 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.1 | -38.5 | 174.9 | -71.9 | 168.1 | 0 | 0 | 0 | 112.6 | L501 E649 H650 H656 H657 L846 | L501-L653 HydrophobicContact CD1-CD2 3.85Å; L501-L653 HydrophobicContact CD2-CD2 3.69Å; L501-L653 HydrophobicContact CD2-CG 4.06Å; L501-L653 HydrophobicContact CG-CD2 4.44Å; E649-L653 HydrophobicContact CG-CD1 4.27Å; E649-L653 WeakPolarHBondContact O-CG 3.33Å; E649-L653 PolarHBondContact O-N 2.87Å; H650-L653 PolarHBondContact O-N 3.28Å; L653-H656 PolarHBondContact O-N 2.75Å; L653-H657 WeakPolarHBondContact O-CB 3.35Å; L653-H657 PolarHBondContact O-N 3.12Å; L653-L846 HydrophobicContact CB-CD1 4.2Å; L653-L846 HydrophobicContact CB-CD2 4.49Å |
| 654 | L | 96.8 | Very high | 96 | Very high | 44 Ų | 44 | 48.6 Ų | 48.6 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -46.5 | 174.3 | -71.1 | 169.7 | 0 | 0 | 0 | 112.3 | H650 M652 H656 H657 E658 L846 E847 I850 | H650-L654 WeakPolarHBondContact O-CG 3.3Å; H650-L654 PolarHBondContact O-N 3.28Å; M652-L654 VanDerWaalsContact C-N 3.28Å; M652-L654 PolarHBondContact O-N 3.13Å; L654-H656 VanDerWaalsContact C-N 3.31Å; L654-H656 PolarHBondContact O-N 2.61Å; L654-H657 WeakPolarHBondContact O-CB 3.41Å; L654-H657 PolarHBondContact O-N 3.19Å; L654-E658 WeakPolarHBondContact O-CG 3.28Å; L654-E658 PolarHBondContact O-N 2.86Å; L654-L846 HydrophobicContact CD2-CD2 4.04Å; L654-L846 HydrophobicContact CD2-CG 4.37Å; L654-E847 HydrophobicContact CD2-CG 4.18Å; L654-I850 HydrophobicContact CD1-CD1 4.19Å; L654-I850 HydrophobicContact CD2-CD1 4.1Å; L654-I850 HydrophobicContact CG-CD1 3.93Å |
| 655 | R | 96.6 | Very high | 96.1 | Very high | 146 Ų | 146 | 48.4 Ų | 48.4 | 55% | 0.551 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.1 | -35.4 | 175.6 | -71.3 | 179.9 | -66 | 159.9 | 6 | 112.6 | A651 M652 E658 S659 | A651-R655 WeakPolarHBondContact O-CG 3.46Å; A651-R655 PolarHBondContact O-NE 3.29Å; M652-R655 PolarHBondContact O-N 3.35Å; R655-E658 PolarHBondContact O-N 3.09Å; R655-S659 VanDerWaalsContact O-CB 3.24Å; R655-S659 WeakPolarHBondContact O-CB 3.35Å; R655-S659 PolarHBondContact O-N 3.3Å |
| 656 | H | 96.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 173.6 | -76.4 | -170 | 0 | 0 | 0 | 111.7 | L497 E500 M652 L653 L654 M660 | L497-H656 HydrophobicContact CD1-CB 3.99Å; L497-H656 PolarHBondContact O-CE1 3.46Å; L497-H656 VanDerWaalsContact O-CE1 3.25Å; E500-H656 IonicContact OE2-CD2 2.68Å; E500-H656 IonicContact OE2-CE1 3.63Å; E500-H656 IonicContact OE2-NE2 3.7Å; E500-H656 PolarHBondContact OE2-NE2 3.09Å; M652-H656 WeakPolarHBondContact O-CB 3.41Å; M652-H656 VanDerWaalsContact O-CG 3.29Å; M652-H656 PolarHBondContact O-N 2.82Å; L653-H656 PolarHBondContact O-N 2.75Å; L654-H656 VanDerWaalsContact C-N 3.31Å; L654-H656 PolarHBondContact O-N 2.61Å; H656-M660 WeakPolarHBondContact O-CB 3.43Å; H656-M660 PolarHBondContact O-N 3.42Å |
| 657 | H | 96.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 5% | 0.051 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 171 | 178.2 | 114.2 | 0 | 0 | 0 | 111.7 | L653 L654 M660 Q661 V839 R842 R843 L846 | L653-H657 WeakPolarHBondContact O-CB 3.35Å; L653-H657 PolarHBondContact O-N 3.12Å; L654-H657 WeakPolarHBondContact O-CB 3.41Å; L654-H657 PolarHBondContact O-N 3.19Å; H657-M660 PolarHBondContact O-N 3Å; H657-Q661 VanDerWaalsContact O-CB 3.31Å; H657-Q661 WeakPolarHBondContact O-CB 3.46Å; H657-Q661 PolarHBondContact O-N 3.4Å; H657-V839 PolarHBondContact CE1-O 3.15Å; H657-R842 PolarHBondContact CE1-NE 3.02Å; H657-R842 PolarHBondContact ND1-NE 3.46Å; H657-R843 VanDerWaalsContact CE1-CA 3.45Å; H657-R843 WeakPolarHBondContact CE1-CA 3.44Å; H657-R843 PolarHBondContact CE1-N 2.97Å; H657-R843 VanDerWaalsContact CE1-N 3.28Å; H657-L846 HydrophobicContact CB-CD2 3.86Å |
| 658 | E | 96.3 | Very high | 96.4 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 38% | 0.383 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.9 | -43.4 | -178.8 | -72.2 | 170.7 | 166.7 | 0 | 0 | 111.5 | L654 R655 M660 Q661 E662 R843 | L654-E658 WeakPolarHBondContact O-CG 3.28Å; L654-E658 PolarHBondContact O-N 2.86Å; R655-E658 PolarHBondContact O-N 3.09Å; E658-M660 PolarHBondContact O-N 3Å; E658-Q661 WeakPolarHBondContact O-CB 3.41Å; E658-Q661 PolarHBondContact O-N 3.07Å; E658-E662 PolarHBondContact O-N 3.32Å; E658-R843 IonicContact OE1-CZ 2.66Å; E658-R843 IonicContact OE1-NH1 2.67Å; E658-R843 PolarHBondContact OE1-NH1 2.9Å |
| 659 | S | 96.9 | Very high | 96.4 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 29% | 0.287 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.5 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | H493 R655 L663 | H493-S659 PolarHBondContact CE1-OG 2.87Å; H493-S659 PolarHBondContact NE2-OG 3.44Å; R655-S659 VanDerWaalsContact O-CB 3.24Å; R655-S659 WeakPolarHBondContact O-CB 3.35Å; R655-S659 PolarHBondContact O-N 3.3Å; S659-L663 PolarHBondContact O-N 3.37Å |
| 660 | M | 96.4 | Very high | 96.5 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 14% | 0.143 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.3 | -45.3 | 173 | -171.4 | 64.5 | 71.7 | 0 | 0 | 111.7 | M490 R494 L497 H656 H657 E658 E662 L663 E664 | M490-M660 HydrophobicContact CG-SD 4.46Å; R494-M660 HydrophobicContact CB-CE 3.99Å; L497-M660 HydrophobicContact CD1-CE 3.93Å; H656-M660 WeakPolarHBondContact O-CB 3.43Å; H656-M660 PolarHBondContact O-N 3.42Å; H657-M660 PolarHBondContact O-N 3Å; E658-M660 PolarHBondContact O-N 3Å; M660-E662 PolarHBondContact O-N 3.15Å; M660-L663 WeakPolarHBondContact O-CB 3.48Å; M660-L663 PolarHBondContact O-N 3.22Å; M660-L663 VanDerWaalsContact O-N 3.08Å; M660-E664 WeakPolarHBondContact O-CG 3.44Å; M660-E664 PolarHBondContact O-N 2.93Å |
| 661 | Q | 96.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 28% | 0.276 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.3 | -49 | 175.9 | 164.8 | 179.5 | -6.1 | 0 | 0 | 111.4 | H657 E658 L663 E664 F665 V839 | H657-Q661 VanDerWaalsContact O-CB 3.31Å; H657-Q661 WeakPolarHBondContact O-CB 3.46Å; H657-Q661 PolarHBondContact O-N 3.4Å; E658-Q661 WeakPolarHBondContact O-CB 3.41Å; E658-Q661 PolarHBondContact O-N 3.07Å; Q661-L663 VanDerWaalsContact C-N 3.26Å; Q661-L663 PolarHBondContact O-N 2.97Å; Q661-E664 WeakPolarHBondContact CA-OE2 3.49Å; Q661-E664 PolarHBondContact O-N 3.27Å; Q661-F665 HydrophobicContact CG-CD2 3.74Å; Q661-F665 HydrophobicContact CG-CE2 3.8Å; Q661-F665 VanDerWaalsContact O-CD2 3.3Å; Q661-F665 WeakPolarHBondContact O-CD2 3.39Å; Q661-F665 PolarHBondContact O-N 3.1Å; Q661-V839 HydrophobicContact CB-CG1 4.08Å; Q661-V839 VanDerWaalsContact CD-CG1 3.44Å; Q661-V839 HydrophobicContact CG-CG1 3.69Å; Q661-V839 HydrophobicContact CG-CG2 4.5Å |
| 662 | E | 96.2 | Very high | 96.3 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -57.8 | -39.7 | 176.4 | -79.2 | -167.9 | -167.6 | 0 | 0 | 112.4 | E658 M660 R666 | E658-E662 PolarHBondContact O-N 3.32Å; M660-E662 PolarHBondContact O-N 3.15Å; E662-R666 WeakPolarHBondContact O-CB 3.3Å; E662-R666 PolarHBondContact O-N 2.95Å; E662-R666 IonicContact OE2-NH2 2.69Å; E662-R666 PolarHBondContact OE2-NH2 3.41Å |
| 663 | L | 96.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -46.1 | 178.2 | -170.7 | 63.3 | 0 | 0 | 0 | 111.5 | H493 S659 M660 Q661 F665 R666 H667 | H493-L663 HydrophobicContact CB-CD2 3.51Å; S659-L663 PolarHBondContact O-N 3.37Å; M660-L663 WeakPolarHBondContact O-CB 3.48Å; M660-L663 PolarHBondContact O-N 3.22Å; M660-L663 VanDerWaalsContact O-N 3.08Å; Q661-L663 VanDerWaalsContact C-N 3.26Å; Q661-L663 PolarHBondContact O-N 2.97Å; L663-F665 PolarHBondContact O-N 3.39Å; L663-R666 PolarHBondContact O-N 3.19Å; L663-H667 WeakPolarHBondContact CD1-NE2 3.43Å; L663-H667 WeakPolarHBondContact O-CB 3.43Å; L663-H667 VanDerWaalsContact O-CG 3.24Å; L663-H667 PolarHBondContact O-N 2.87Å |
| 664 | E | 96.3 | Very high | 96.1 | Very high | 40 Ų | 40 | 53.7 Ų | 53.7 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 176.9 | -69.4 | 167 | 113.9 | 0 | 0 | 112 | M660 Q661 H667 L668 L835 R842 | M660-E664 WeakPolarHBondContact O-CG 3.44Å; M660-E664 PolarHBondContact O-N 2.93Å; Q661-E664 WeakPolarHBondContact CA-OE2 3.49Å; Q661-E664 PolarHBondContact O-N 3.27Å; E664-H667 PolarHBondContact O-N 3.03Å; E664-L668 WeakPolarHBondContact O-CB 3.22Å; E664-L668 PolarHBondContact O-N 3.18Å; E664-L835 HydrophobicContact CB-CD1 4.06Å; E664-L835 HydrophobicContact CB-CD2 4.24Å; E664-R842 IonicContact OE1-CZ 2.75Å; E664-R842 IonicContact OE1-NH1 3.91Å; E664-R842 PolarHBondContact OE1-NH1 3.26Å; E664-R842 IonicContact OE2-CZ 3.63Å; E664-R842 IonicContact OE2-NH1 3.66Å; E664-R842 PolarHBondContact OE2-NH1 3.18Å; E664-R842 IonicContact OE2-NH2 3.83Å; E664-R842 PolarHBondContact OE2-NH2 3.38Å |
| 665 | F | 97.1 | Very high | 95.8 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 176.3 | -82.9 | -71.2 | 0 | 0 | 0 | 112.6 | Q661 L663 A669 R832 L835 E836 V839 | Q661-F665 HydrophobicContact CG-CD2 3.74Å; Q661-F665 HydrophobicContact CG-CE2 3.8Å; Q661-F665 VanDerWaalsContact O-CD2 3.3Å; Q661-F665 WeakPolarHBondContact O-CD2 3.39Å; Q661-F665 PolarHBondContact O-N 3.1Å; L663-F665 PolarHBondContact O-N 3.39Å; F665-A669 VanDerWaalsContact O-CB 3.27Å; F665-A669 WeakPolarHBondContact O-CB 3.37Å; F665-A669 PolarHBondContact O-N 3.09Å; F665-R832 HydrophobicContact CE1-CG 4.4Å; F665-L835 HydrophobicContact CD1-CD2 3.73Å; F665-L835 HydrophobicContact CD2-CD2 4.42Å; F665-L835 HydrophobicContact CE1-CD2 3.86Å; F665-L835 HydrophobicContact CE1-CG 4.18Å; F665-L835 HydrophobicContact CG-CD2 4.02Å; F665-L835 HydrophobicContact CZ-CD2 4.25Å; F665-L835 HydrophobicContact CZ-CG 4.18Å; F665-E836 HydrophobicContact CE1-CG 3.87Å; F665-E836 HydrophobicContact CZ-CB 4.5Å; F665-E836 HydrophobicContact CZ-CG 3.65Å; F665-V839 HydrophobicContact CE2-CG2 4.26Å |
| 666 | R | 96.9 | Very high | 95.6 | Very high | 122 Ų | 122 | 49.1 Ų | 49.1 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.7 | -41 | 177 | -174.9 | -173.5 | -58.4 | 116.7 | 2.1 | 111.5 | E662 L663 T670 | E662-R666 WeakPolarHBondContact O-CB 3.3Å; E662-R666 PolarHBondContact O-N 2.95Å; E662-R666 IonicContact OE2-NH2 2.69Å; E662-R666 PolarHBondContact OE2-NH2 3.41Å; L663-R666 PolarHBondContact O-N 3.19Å; R666-T670 WeakPolarHBondContact O-CB 3.46Å; R666-T670 PolarHBondContact O-N 3.26Å; R666-T670 PolarHBondContact O-OG1 3.16Å |
| 667 | H | 96.8 | Very high | 95.4 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -49.8 | 175.2 | -74.2 | -175.8 | 0 | 0 | 0 | 111.1 | L486 E489 L663 E664 A669 T670 I671 | L486-H667 HydrophobicContact CB-CB 4.44Å; L486-H667 HydrophobicContact CD1-CB 4.36Å; L486-H667 VanDerWaalsContact CD2-CD2 3.4Å; L486-H667 WeakPolarHBondContact CD2-CD2 3.47Å; L486-H667 PolarHBondContact O-CE1 2.6Å; E489-H667 IonicContact OE2-CD2 3.22Å; E489-H667 IonicContact OE2-CE1 3.72Å; E489-H667 IonicContact OE2-NE2 2.82Å; E489-H667 PolarHBondContact OE2-NE2 3.29Å; L663-H667 WeakPolarHBondContact CD1-NE2 3.43Å; L663-H667 WeakPolarHBondContact O-CB 3.43Å; L663-H667 VanDerWaalsContact O-CG 3.24Å; L663-H667 PolarHBondContact O-N 2.87Å; E664-H667 PolarHBondContact O-N 3.03Å; H667-A669 PolarHBondContact O-N 3.03Å; H667-T670 WeakPolarHBondContact O-CB 3.49Å; H667-T670 PolarHBondContact O-N 3.03Å; H667-T670 VanDerWaalsContact O-N 3.11Å; H667-I671 WeakPolarHBondContact O-CG1 3.2Å; H667-I671 PolarHBondContact O-N 2.89Å |
| 668 | L | 96.1 | Very high | 95.1 | Very high | 28 Ų | 28 | 52.2 Ų | 52.2 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -50.2 | 175.5 | -178.6 | 62.2 | 0 | 0 | 0 | 111.6 | E664 T670 I671 Q672 E831 R832 L835 | E664-L668 WeakPolarHBondContact O-CB 3.22Å; E664-L668 PolarHBondContact O-N 3.18Å; L668-T670 PolarHBondContact O-N 3.26Å; L668-I671 PolarHBondContact O-N 3Å; L668-I671 VanDerWaalsContact O-N 3.15Å; L668-Q672 HydrophobicContact CD1-CG 4.02Å; L668-Q672 HydrophobicContact CG-CG 4.25Å; L668-Q672 VanDerWaalsContact O-CG 3.31Å; L668-Q672 WeakPolarHBondContact O-CG 3.42Å; L668-Q672 PolarHBondContact O-N 2.96Å; L668-E831 HydrophobicContact CD1-CB 4.06Å; L668-E831 HydrophobicContact CD2-CB 4.42Å; L668-R832 HydrophobicContact CD2-CB 4.47Å; L668-L835 HydrophobicContact CB-CD2 4.2Å; L668-L835 HydrophobicContact CD2-CB 4.28Å; L668-L835 HydrophobicContact CD2-CD2 3.74Å |
| 669 | A | 96.2 | Very high | 94.7 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.2 | -28.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F665 H667 R673 | F665-A669 VanDerWaalsContact O-CB 3.27Å; F665-A669 WeakPolarHBondContact O-CB 3.37Å; F665-A669 PolarHBondContact O-N 3.09Å; H667-A669 PolarHBondContact O-N 3.03Å; A669-R673 VanDerWaalsContact O-CB 3.31Å; A669-R673 WeakPolarHBondContact O-CB 3.43Å; A669-R673 PolarHBondContact O-N 3.02Å; A669-R673 VanDerWaalsContact O-N 3.17Å |
| 670 | T | 96.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73.5 | -44.1 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | L482 R666 H667 L668 R673 A674 | L482-T670 HydrophobicContact CD1-CG2 4.11Å; L482-T670 HydrophobicContact CD2-CG2 4.34Å; R666-T670 WeakPolarHBondContact O-CB 3.46Å; R666-T670 PolarHBondContact O-N 3.26Å; R666-T670 PolarHBondContact O-OG1 3.16Å; H667-T670 WeakPolarHBondContact O-CB 3.49Å; H667-T670 PolarHBondContact O-N 3.03Å; H667-T670 VanDerWaalsContact O-N 3.11Å; L668-T670 PolarHBondContact O-N 3.26Å; T670-R673 PolarHBondContact O-N 3.22Å; T670-A674 PolarHBondContact O-N 2.9Å |
| 671 | I | 93.6 | Very high | 94.2 | Very high | 24 Ų | 24 | 57.2 Ų | 57.2 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 175.7 | -66.2 | 164.4 | 0 | 0 | 0 | 110.5 | L482 E483 L486 H667 L668 R673 A674 R675 | L482-I671 HydrophobicContact CD2-CG1 4.5Å; E483-I671 HydrophobicContact CG-CD1 3.96Å; E483-I671 HydrophobicContact CG-CG1 4.14Å; L486-I671 HydrophobicContact CD1-CD1 3.77Å; L486-I671 HydrophobicContact CD1-CG1 3.48Å; L486-I671 VanDerWaalsContact CD1-CG1 3.48Å; H667-I671 WeakPolarHBondContact O-CG1 3.2Å; H667-I671 PolarHBondContact O-N 2.89Å; L668-I671 PolarHBondContact O-N 3Å; L668-I671 VanDerWaalsContact O-N 3.15Å; I671-R673 VanDerWaalsContact C-N 3.3Å; I671-R673 PolarHBondContact O-N 2.75Å; I671-A674 PolarHBondContact O-N 3.33Å; I671-R675 HydrophobicContact CG2-CG 4.34Å; I671-R675 VanDerWaalsContact CG2-CZ 3.44Å; I671-R675 VanDerWaalsContact CG2-NE 3.28Å; I671-R675 WeakPolarHBondContact O-CG 3.43Å; I671-R675 PolarHBondContact O-N 3.49Å |
| 672 | Q | 93.9 | Very high | 93.7 | Very high | 17 Ų | 17 | 55 Ų | 55 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -38 | 179.7 | -66.9 | -171.5 | -15.9 | 0 | 0 | 111.9 | L668 A676 H828 E831 | L668-Q672 HydrophobicContact CD1-CG 4.02Å; L668-Q672 HydrophobicContact CG-CG 4.25Å; L668-Q672 VanDerWaalsContact O-CG 3.31Å; L668-Q672 WeakPolarHBondContact O-CG 3.42Å; L668-Q672 PolarHBondContact O-N 2.96Å; Q672-A676 WeakPolarHBondContact O-CB 3.37Å; Q672-A676 PolarHBondContact O-N 2.98Å; Q672-H828 HydrophobicContact CG-CB 4.29Å; Q672-H828 VanDerWaalsContact CG-CD2 3.44Å; Q672-H828 WeakPolarHBondContact CG-CD2 3.28Å; Q672-H828 PolarHBondContact NE2-O 3.25Å; Q672-H828 PolarHBondContact O-CE1 3.3Å; Q672-H828 VanDerWaalsContact O-CE1 3.3Å; Q672-E831 PolarHBondContact NE2-OE2 2.85Å |
| 673 | R | 95.4 | Very high | 93.4 | Very high | 160 Ų | 160 | 50.5 Ų | 50.5 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.5 | -49.3 | 173.1 | -171.5 | -176.2 | -55 | 163.2 | 6.4 | 111.9 | A669 T670 I671 R675 A676 D677 | A669-R673 VanDerWaalsContact O-CB 3.31Å; A669-R673 WeakPolarHBondContact O-CB 3.43Å; A669-R673 PolarHBondContact O-N 3.02Å; A669-R673 VanDerWaalsContact O-N 3.17Å; T670-R673 PolarHBondContact O-N 3.22Å; I671-R673 VanDerWaalsContact C-N 3.3Å; I671-R673 PolarHBondContact O-N 2.75Å; R673-R675 PolarHBondContact O-N 2.98Å; R673-A676 PolarHBondContact O-N 3.3Å; R673-D677 PolarHBondContact O-N 3.24Å |
| 674 | A | 93.4 | Very high | 93.2 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L479 L482 T670 I671 A676 D677 L678 | L479-A674 HydrophobicContact CD2-CB 4.05Å; L482-A674 HydrophobicContact CD2-CB 3.56Å; T670-A674 PolarHBondContact O-N 2.9Å; I671-A674 PolarHBondContact O-N 3.33Å; A674-A676 VanDerWaalsContact C-N 3.34Å; A674-A676 PolarHBondContact O-N 3.02Å; A674-D677 PolarHBondContact O-N 2.9Å; A674-L678 WeakPolarHBondContact O-CG 3.48Å; A674-L678 PolarHBondContact O-N 2.96Å |
| 675 | R | 90.6 | Very high | 92.6 | Very high | 65 Ų | 65 | 55.6 Ų | 55.6 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 174.2 | -69.6 | 176.1 | -174.9 | 173.4 | 2.5 | 111.4 | L479 E483 I671 R673 D677 L678 I679 E831 | L479-R675 HydrophobicContact CD1-CG 4.04Å; L479-R675 HydrophobicContact CD2-CG 3.69Å; E483-R675 IonicContact OE1-CZ 2.8Å; E483-R675 IonicContact OE1-NE 3.29Å; E483-R675 IonicContact OE1-NH2 3.84Å; E483-R675 PolarHBondContact OE1-NH2 3.49Å; I671-R675 HydrophobicContact CG2-CG 4.34Å; I671-R675 VanDerWaalsContact CG2-CZ 3.44Å; I671-R675 VanDerWaalsContact CG2-NE 3.28Å; I671-R675 WeakPolarHBondContact O-CG 3.43Å; I671-R675 PolarHBondContact O-N 3.49Å; R673-R675 PolarHBondContact O-N 2.98Å; R675-D677 PolarHBondContact O-N 3.12Å; R675-L678 PolarHBondContact O-N 3.24Å; R675-I679 WeakPolarHBondContact O-CB 3.34Å; R675-I679 WeakPolarHBondContact O-CD1 3.4Å; R675-I679 VanDerWaalsContact O-CG1 3.28Å; R675-I679 WeakPolarHBondContact O-CG1 3.46Å; R675-I679 PolarHBondContact O-N 3Å; R675-E831 IonicContact CZ-OE1 3.56Å; R675-E831 IonicContact NH1-OE1 2.82Å; R675-E831 PolarHBondContact NH1-OE1 3.31Å; R675-E831 IonicContact NH1-OE2 3.58Å |
| 676 | A | 92.6 | Very high | 92.1 | Very high | 29 Ų | 29 | 53.9 Ų | 53.9 | 24% | 0.24 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q672 R673 A674 R680 | Q672-A676 WeakPolarHBondContact O-CB 3.37Å; Q672-A676 PolarHBondContact O-N 2.98Å; R673-A676 PolarHBondContact O-N 3.3Å; A674-A676 VanDerWaalsContact C-N 3.34Å; A674-A676 PolarHBondContact O-N 3.02Å; A676-R680 WeakPolarHBondContact O-CG 3.49Å; A676-R680 PolarHBondContact O-N 3.04Å |
| 677 | D | 93.3 | Very high | 91.7 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 175.6 | -77.7 | -42.1 | 0 | 0 | 0 | 112.4 | R673 A674 R675 I679 R680 T681 | R673-D677 PolarHBondContact O-N 3.24Å; A674-D677 PolarHBondContact O-N 2.9Å; R675-D677 PolarHBondContact O-N 3.12Å; D677-I679 VanDerWaalsContact C-N 3.34Å; D677-I679 PolarHBondContact O-N 3.38Å; D677-R680 WeakPolarHBondContact O-CB 3.47Å; D677-R680 PolarHBondContact O-N 2.82Å; D677-R680 IonicContact OD1-CZ 3.13Å; D677-R680 IonicContact OD1-NE 2.7Å; D677-R680 PolarHBondContact OD1-NE 3.21Å; D677-R680 IonicContact OD1-NH2 3.84Å; D677-R680 PolarHBondContact OD1-NH2 3.41Å; D677-T681 PolarHBondContact O-N 2.66Å; D677-T681 PolarHBondContact O-OG1 3.44Å |
| 678 | L | 88.9 | Confident | 91.2 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.5 | -32.3 | 177.9 | -62.8 | 171.4 | 0 | 0 | 0 | 112.5 | H475 L479 A674 R675 T681 Q682 | H475-L678 HydrophobicContact CB-CB 4.32Å; H475-L678 HydrophobicContact CB-CD1 4.14Å; H475-L678 HydrophobicContact CB-CD2 4.04Å; H475-L678 HydrophobicContact CB-CG 4.39Å; H475-L678 PolarHBondContact CE1-O 3.36Å; H475-L678 PolarHBondContact ND1-O 3.48Å; L479-L678 HydrophobicContact CD1-CD1 3.97Å; L479-L678 HydrophobicContact CD2-CD1 3.76Å; L479-L678 HydrophobicContact CG-CD1 3.54Å; A674-L678 WeakPolarHBondContact O-CG 3.48Å; A674-L678 PolarHBondContact O-N 2.96Å; R675-L678 PolarHBondContact O-N 3.24Å; L678-T681 WeakPolarHBondContact CA-OG1 3.42Å; L678-T681 PolarHBondContact O-OG1 3.2Å; L678-T681 VanDerWaalsContact O-OG1 3.12Å; L678-Q682 WeakPolarHBondContact O-CB 3.45Å; L678-Q682 PolarHBondContact O-N 2.96Å |
| 679 | I | 88.1 | Confident | 90.7 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.4 | -40.8 | 171.8 | -72.2 | 164.6 | 0 | 0 | 0 | 110.5 | R675 D677 T681 Q682 H683 I820 T824 | R675-I679 WeakPolarHBondContact O-CB 3.34Å; R675-I679 WeakPolarHBondContact O-CD1 3.4Å; R675-I679 VanDerWaalsContact O-CG1 3.28Å; R675-I679 WeakPolarHBondContact O-CG1 3.46Å; R675-I679 PolarHBondContact O-N 3Å; D677-I679 VanDerWaalsContact C-N 3.34Å; D677-I679 PolarHBondContact O-N 3.38Å; I679-T681 PolarHBondContact O-N 3.41Å; I679-Q682 PolarHBondContact O-N 2.94Å; I679-H683 WeakPolarHBondContact CG2-CE1 3.47Å; I679-H683 WeakPolarHBondContact O-CB 3.39Å; I679-H683 VanDerWaalsContact O-CG 3.25Å; I679-H683 PolarHBondContact O-N 2.75Å; I679-I820 HydrophobicContact CG2-CG2 4.02Å; I679-T824 HydrophobicContact CD1-CG2 3.63Å; I679-T824 WeakPolarHBondContact CD1-OG1 3.39Å |
| 680 | R | 92.1 | Very high | 90.1 | Very high | 156 Ų | 156 | 52.5 Ų | 52.5 | 59% | 0.589 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60 | -45.6 | 174.4 | -78.5 | -170.7 | -77.4 | -136 | 3.5 | 112.4 | A676 D677 Q684 | A676-R680 WeakPolarHBondContact O-CG 3.49Å; A676-R680 PolarHBondContact O-N 3.04Å; D677-R680 WeakPolarHBondContact O-CB 3.47Å; D677-R680 PolarHBondContact O-N 2.82Å; D677-R680 IonicContact OD1-CZ 3.13Å; D677-R680 IonicContact OD1-NE 2.7Å; D677-R680 PolarHBondContact OD1-NE 3.21Å; D677-R680 IonicContact OD1-NH2 3.84Å; D677-R680 PolarHBondContact OD1-NH2 3.41Å; R680-Q684 WeakPolarHBondContact O-CB 3.44Å; R680-Q684 PolarHBondContact O-N 3.43Å |
| 681 | T | 90.3 | Very high | 89.7 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.8 | -33 | 177.9 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | H475 D677 L678 I679 T685 | H475-T681 PolarHBondContact CE1-OG1 3.06Å; H475-T681 PolarHBondContact NE2-OG1 3.13Å; D677-T681 PolarHBondContact O-N 2.66Å; D677-T681 PolarHBondContact O-OG1 3.44Å; L678-T681 WeakPolarHBondContact CA-OG1 3.42Å; L678-T681 PolarHBondContact O-OG1 3.2Å; L678-T681 VanDerWaalsContact O-OG1 3.12Å; I679-T681 PolarHBondContact O-N 3.41Å; T681-T685 PolarHBondContact O-N 3.27Å; T681-T685 VanDerWaalsContact O-N 3.15Å; T681-T685 PolarHBondContact O-OG1 2.94Å |
| 682 | Q | 86.6 | Confident | 89.2 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -55.6 | 170.5 | -176.1 | -173.1 | -51.2 | 0 | 0 | 110.8 | Y468 M471 L678 I679 Q684 T685 E686 | Y468-Q682 HydrophobicContact CE2-CG 4.09Å; Y468-Q682 WeakPolarHBondContact OH-CG 3.28Å; Y468-Q682 PolarHBondContact OH-NE2 3.19Å; M471-Q682 HydrophobicContact CE-CB 4.36Å; M471-Q682 HydrophobicContact CE-CG 4.27Å; M471-Q682 HydrophobicContact SD-CB 4.49Å; L678-Q682 WeakPolarHBondContact O-CB 3.45Å; L678-Q682 PolarHBondContact O-N 2.96Å; I679-Q682 PolarHBondContact O-N 2.94Å; Q682-Q684 VanDerWaalsContact C-N 3.3Å; Q682-Q684 PolarHBondContact O-N 3.43Å; Q682-T685 WeakPolarHBondContact O-CA 3.37Å; Q682-T685 WeakPolarHBondContact O-CB 3.4Å; Q682-T685 PolarHBondContact O-N 2.78Å; Q682-E686 HydrophobicContact CG-CG 4.43Å; Q682-E686 WeakPolarHBondContact CG-OE1 3.26Å; Q682-E686 PolarHBondContact NE2-OE1 3.05Å; Q682-E686 WeakPolarHBondContact O-CG 3.3Å; Q682-E686 PolarHBondContact O-N 2.89Å |
| 683 | H | 90.4 | Very high | 88.7 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 11% | 0.111 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.3 | -40.7 | -178.7 | -71 | 179.7 | 0 | 0 | 0 | 112.6 | I679 T685 E686 L687 Q817 | I679-H683 WeakPolarHBondContact CG2-CE1 3.47Å; I679-H683 WeakPolarHBondContact O-CB 3.39Å; I679-H683 VanDerWaalsContact O-CG 3.25Å; I679-H683 PolarHBondContact O-N 2.75Å; H683-T685 VanDerWaalsContact C-N 3.3Å; H683-T685 PolarHBondContact O-N 2.88Å; H683-E686 IonicContact CD2-OE2 3.93Å; H683-E686 PolarHBondContact O-N 3.12Å; H683-L687 WeakPolarHBondContact O-CB 3.36Å; H683-L687 PolarHBondContact O-N 3Å; H683-Q817 VanDerWaalsContact CA-NE2 3.31Å; H683-Q817 HydrophobicContact CB-CG 4.16Å; H683-Q817 PolarHBondContact CE1-O 3Å; H683-Q817 PolarHBondContact O-NE2 3.36Å |
| 684 | Q | 91.1 | Very high | 88.3 | Confident | 114 Ų | 114 | 51.7 Ų | 51.7 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.6 | -32.2 | 175.8 | -176.5 | 58.6 | 82.7 | 0 | 0 | 112.9 | R680 Q682 T688 | R680-Q684 WeakPolarHBondContact O-CB 3.44Å; R680-Q684 PolarHBondContact O-N 3.43Å; Q682-Q684 VanDerWaalsContact C-N 3.3Å; Q682-Q684 PolarHBondContact O-N 3.43Å; Q684-T688 WeakPolarHBondContact O-CB 3.49Å; Q684-T688 PolarHBondContact O-N 2.89Å; Q684-T688 VanDerWaalsContact O-N 3.14Å; Q684-T688 PolarHBondContact O-OG1 2.9Å |
| 685 | T | 85.3 | Confident | 88 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -74.2 | -44.3 | 176.9 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | Y468 M471 T681 Q682 H683 L687 T688 N689 | Y468-T685 HydrophobicContact CD2-CG2 4.11Å; M471-T685 HydrophobicContact CE-CG2 3.83Å; T681-T685 PolarHBondContact O-N 3.27Å; T681-T685 VanDerWaalsContact O-N 3.15Å; T681-T685 PolarHBondContact O-OG1 2.94Å; Q682-T685 WeakPolarHBondContact O-CA 3.37Å; Q682-T685 WeakPolarHBondContact O-CB 3.4Å; Q682-T685 PolarHBondContact O-N 2.78Å; H683-T685 VanDerWaalsContact C-N 3.3Å; H683-T685 PolarHBondContact O-N 2.88Å; T685-L687 PolarHBondContact O-N 3.16Å; T685-T688 PolarHBondContact O-N 2.96Å; T685-N689 VanDerWaalsContact O-CG 3.25Å; T685-N689 PolarHBondContact O-N 3.42Å; T685-N689 PolarHBondContact O-OD1 3.32Å |
| 686 | E | 85.5 | Confident | 87.6 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 174.2 | -66.8 | 167.1 | 173.1 | 0 | 0 | 111.7 | Y468 Q682 H683 T688 N689 Q690 L813 Q817 | Y468-E686 HydrophobicContact CE2-CG 3.88Å; Y468-E686 PolarHBondContact OH-OE1 3.06Å; Q682-E686 HydrophobicContact CG-CG 4.43Å; Q682-E686 WeakPolarHBondContact CG-OE1 3.26Å; Q682-E686 PolarHBondContact NE2-OE1 3.05Å; Q682-E686 WeakPolarHBondContact O-CG 3.3Å; Q682-E686 PolarHBondContact O-N 2.89Å; H683-E686 IonicContact CD2-OE2 3.93Å; H683-E686 PolarHBondContact O-N 3.12Å; E686-T688 PolarHBondContact O-N 2.96Å; E686-N689 PolarHBondContact O-N 2.83Å; E686-Q690 PolarHBondContact O-N 3.31Å; E686-L813 HydrophobicContact CB-CD1 4.21Å; E686-Q817 PolarHBondContact OE2-NE2 3.42Å |
| 687 | L | 88.6 | Confident | 87.2 | Confident | 46 Ų | 46 | 58 Ų | 58 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 177.3 | 178.5 | 60.5 | 0 | 0 | 0 | 111.8 | H683 T685 Q690 L691 L810 | H683-L687 WeakPolarHBondContact O-CB 3.36Å; H683-L687 PolarHBondContact O-N 3Å; T685-L687 PolarHBondContact O-N 3.16Å; L687-Q690 PolarHBondContact O-N 2.95Å; L687-L691 HydrophobicContact CD1-CD1 4.2Å; L687-L691 HydrophobicContact CD1-CG 4.31Å; L687-L691 HydrophobicContact CG-CD1 4.13Å; L687-L691 WeakPolarHBondContact O-CB 3.24Å; L687-L691 VanDerWaalsContact O-CG 3.25Å; L687-L691 WeakPolarHBondContact O-CG 3.38Å; L687-L691 PolarHBondContact O-N 2.81Å; L687-L810 HydrophobicContact CD1-CD1 3.67Å |
| 688 | T | 87.6 | Confident | 86.9 | Confident | 71 Ų | 71 | 57.9 Ų | 57.9 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 175.4 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | Q684 T685 E686 L691 E692 | Q684-T688 WeakPolarHBondContact O-CB 3.49Å; Q684-T688 PolarHBondContact O-N 2.89Å; Q684-T688 VanDerWaalsContact O-N 3.14Å; Q684-T688 PolarHBondContact O-OG1 2.9Å; T685-T688 PolarHBondContact O-N 2.96Å; E686-T688 PolarHBondContact O-N 2.96Å; T688-L691 PolarHBondContact O-N 2.81Å; T688-E692 PolarHBondContact O-N 2.8Å |
| 689 | N | 83.7 | Confident | 86.8 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 24% | 0.235 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 178.8 | -70 | -10.1 | 0 | 0 | 0 | 112 | T685 E686 E692 Y693 | T685-N689 VanDerWaalsContact O-CG 3.25Å; T685-N689 PolarHBondContact O-N 3.42Å; T685-N689 PolarHBondContact O-OD1 3.32Å; E686-N689 PolarHBondContact O-N 2.83Å; N689-E692 PolarHBondContact O-N 3.07Å; N689-Y693 PolarHBondContact O-N 2.85Å |
| 690 | Q | 84.7 | Confident | 86.5 | Confident | 20 Ų | 20 | 62.6 Ų | 62.6 | 9% | 0.093 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.4 | -172.8 | 68.1 | 36.2 | 0 | 0 | 111.4 | E686 L687 E692 Y693 N694 E809 L810 L813 | E686-Q690 PolarHBondContact O-N 3.31Å; L687-Q690 PolarHBondContact O-N 2.95Å; Q690-E692 VanDerWaalsContact C-N 3.28Å; Q690-E692 PolarHBondContact O-N 2.87Å; Q690-Y693 PolarHBondContact O-N 2.83Å; Q690-N694 PolarHBondContact NE2-OD1 3.48Å; Q690-N694 WeakPolarHBondContact O-CB 3.43Å; Q690-N694 VanDerWaalsContact O-CG 3.24Å; Q690-N694 PolarHBondContact O-N 2.86Å; Q690-N694 PolarHBondContact O-OD1 3.45Å; Q690-N694 VanDerWaalsContact O-OD1 3.07Å; Q690-E809 PolarHBondContact NE2-OE2 2.72Å; Q690-L810 HydrophobicContact CG-CD1 4.35Å; Q690-L813 HydrophobicContact CB-CD2 3.72Å; Q690-L813 HydrophobicContact CG-CD2 4.12Å |
| 691 | L | 87.1 | Confident | 86.2 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -32.7 | 175.9 | -71.1 | 170.6 | 0 | 0 | 0 | 112.5 | L687 T688 K695 | L687-L691 HydrophobicContact CD1-CD1 4.2Å; L687-L691 HydrophobicContact CD1-CG 4.31Å; L687-L691 HydrophobicContact CG-CD1 4.13Å; L687-L691 WeakPolarHBondContact O-CB 3.24Å; L687-L691 VanDerWaalsContact O-CG 3.25Å; L687-L691 WeakPolarHBondContact O-CG 3.38Å; L687-L691 PolarHBondContact O-N 2.81Å; T688-L691 PolarHBondContact O-N 2.81Å; L691-K695 WeakPolarHBondContact O-CD 3.48Å; L691-K695 VanDerWaalsContact O-CG 3.24Å; L691-K695 WeakPolarHBondContact O-CG 2.98Å; L691-K695 PolarHBondContact O-N 2.76Å |
| 692 | E | 84.9 | Confident | 86.1 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.4 | -38.7 | 174.1 | -174.5 | 162.1 | -148.9 | 0 | 0 | 112.8 | Q464 T688 N689 Q690 K695 R696 | Q464-E692 VanDerWaalsContact NE2-CD 3.27Å; Q464-E692 PolarHBondContact NE2-OE2 3.43Å; T688-E692 PolarHBondContact O-N 2.8Å; N689-E692 PolarHBondContact O-N 3.07Å; Q690-E692 VanDerWaalsContact C-N 3.28Å; Q690-E692 PolarHBondContact O-N 2.87Å; E692-K695 CarbonylContact O-C 3.58Å; E692-K695 WeakPolarHBondContact O-CB 3.36Å; E692-K695 PolarHBondContact O-N 3.49Å; E692-R696 PolarHBondContact O-N 3.28Å |
| 693 | Y | 81.6 | Confident | 86 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -48 | 171.1 | 168.3 | -96.5 | 0 | 0 | 0 | 111.6 | N689 Q690 K695 R696 R697 L806 E809 | N689-Y693 PolarHBondContact O-N 2.85Å; Q690-Y693 PolarHBondContact O-N 2.83Å; Y693-K695 VanDerWaalsContact C-N 3.28Å; Y693-K695 PolarHBondContact O-N 3.01Å; Y693-R696 WeakPolarHBondContact O-CA 3.41Å; Y693-R696 WeakPolarHBondContact O-CB 3.37Å; Y693-R696 PolarHBondContact O-N 3.08Å; Y693-R697 HydrophobicContact CD1-CG 4.25Å; Y693-R697 HydrophobicContact CD2-CG 4.17Å; Y693-R697 HydrophobicContact CE1-CG 3.8Å; Y693-R697 HydrophobicContact CE2-CG 3.71Å; Y693-R697 HydrophobicContact CG-CG 4.43Å; Y693-R697 WeakPolarHBondContact O-CG 3.4Å; Y693-R697 PolarHBondContact O-N 3.15Å; Y693-L806 HydrophobicContact CD1-CD2 4.29Å; Y693-L806 HydrophobicContact CE1-CD2 3.77Å; Y693-E809 WeakPolarHBondContact CE1-OE2 3.4Å |
| 694 | N | 87.6 | Confident | 85.7 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.5 | -45.3 | 175.1 | -71.1 | 14.7 | 0 | 0 | 0 | 110.7 | Q690 R696 R697 E698 L806 | Q690-N694 PolarHBondContact NE2-OD1 3.48Å; Q690-N694 WeakPolarHBondContact O-CB 3.43Å; Q690-N694 VanDerWaalsContact O-CG 3.24Å; Q690-N694 PolarHBondContact O-N 2.86Å; Q690-N694 PolarHBondContact O-OD1 3.45Å; Q690-N694 VanDerWaalsContact O-OD1 3.07Å; N694-R696 VanDerWaalsContact C-N 3.34Å; N694-R696 PolarHBondContact O-N 3.03Å; N694-R697 PolarHBondContact O-N 3.27Å; N694-E698 PolarHBondContact O-N 3.27Å; N694-L806 HydrophobicContact CB-CD1 4.16Å; N694-L806 PolarHBondContact ND2-O 2.95Å |
| 695 | K | 87.6 | Confident | 85.6 | Confident | 137 Ų | 137 | 63.6 Ų | 63.6 | 60% | 0.596 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.4 | -27.8 | 173.6 | -71.5 | 168.3 | -174.8 | 173.6 | 0 | 113.9 | L691 E692 Y693 R699 | L691-K695 WeakPolarHBondContact O-CD 3.48Å; L691-K695 VanDerWaalsContact O-CG 3.24Å; L691-K695 WeakPolarHBondContact O-CG 2.98Å; L691-K695 PolarHBondContact O-N 2.76Å; E692-K695 CarbonylContact O-C 3.58Å; E692-K695 WeakPolarHBondContact O-CB 3.36Å; E692-K695 PolarHBondContact O-N 3.49Å; Y693-K695 VanDerWaalsContact C-N 3.28Å; Y693-K695 PolarHBondContact O-N 3.01Å; K695-R699 VanDerWaalsContact O-CG 3.26Å; K695-R699 WeakPolarHBondContact O-CG 3.36Å; K695-R699 PolarHBondContact O-N 2.82Å; K695-R699 PolarHBondContact O-NE 3.11Å |
| 696 | R | 83.1 | Confident | 85.7 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.4 | -47.9 | 174.2 | -160.6 | -175.8 | -83.5 | 123 | 0.7 | 110.3 | E460 Q464 E692 Y693 N694 E698 R699 E700 | E460-R696 VanDerWaalsContact CB-NH2 3.27Å; E460-R696 IonicContact OE2-CZ 3.84Å; E460-R696 IonicContact OE2-NE 2.68Å; E460-R696 PolarHBondContact OE2-NE 3.49Å; E460-R696 VanDerWaalsContact OE2-NE 3.17Å; E460-R696 IonicContact OE2-NH2 2.69Å; E460-R696 PolarHBondContact OE2-NH2 3.38Å; Q464-R696 VanDerWaalsContact OE1-NH1 3.17Å; E692-R696 PolarHBondContact O-N 3.28Å; Y693-R696 WeakPolarHBondContact O-CA 3.41Å; Y693-R696 WeakPolarHBondContact O-CB 3.37Å; Y693-R696 PolarHBondContact O-N 3.08Å; N694-R696 VanDerWaalsContact C-N 3.34Å; N694-R696 PolarHBondContact O-N 3.03Å; R696-E698 PolarHBondContact O-N 3.02Å; R696-R699 WeakPolarHBondContact O-CA 3.45Å; R696-R699 WeakPolarHBondContact O-CB 3.27Å; R696-R699 PolarHBondContact O-N 3.27Å; R696-E700 WeakPolarHBondContact CG-OE1 3.33Å; R696-E700 WeakPolarHBondContact O-CG 3.41Å; R696-E700 PolarHBondContact O-N 3.22Å |
| 697 | R | 83.9 | Confident | 85.4 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 31% | 0.313 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 176.4 | -63.4 | -67.6 | -70 | 140.2 | -1 | 112.8 | Y693 N694 R699 E700 L701 L802 L806 | Y693-R697 HydrophobicContact CD1-CG 4.25Å; Y693-R697 HydrophobicContact CD2-CG 4.17Å; Y693-R697 HydrophobicContact CE1-CG 3.8Å; Y693-R697 HydrophobicContact CE2-CG 3.71Å; Y693-R697 HydrophobicContact CG-CG 4.43Å; Y693-R697 WeakPolarHBondContact O-CG 3.4Å; Y693-R697 PolarHBondContact O-N 3.15Å; N694-R697 PolarHBondContact O-N 3.27Å; R697-R699 PolarHBondContact O-N 2.69Å; R697-E700 WeakPolarHBondContact CD-OE2 3.07Å; R697-E700 IonicContact CZ-OE2 3.29Å; R697-E700 IonicContact NE-OE2 2.68Å; R697-E700 IonicContact NH1-OE2 2.69Å; R697-E700 PolarHBondContact NH1-OE2 3Å; R697-E700 PolarHBondContact O-N 2.79Å; R697-L701 PolarHBondContact O-N 3.27Å; R697-L802 HydrophobicContact CB-CD1 4.37Å; R697-L802 HydrophobicContact CB-CD2 4.41Å; R697-L806 HydrophobicContact CB-CD1 4.15Å; R697-L806 HydrophobicContact CB-CD2 4.17Å; R697-L806 HydrophobicContact CG-CD2 4.19Å |
| 698 | E | 86.4 | Confident | 85.1 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 171.4 | -83.1 | -161.3 | -150.5 | 0 | 0 | 113.1 | N694 R696 L701 R702 | N694-E698 PolarHBondContact O-N 3.27Å; R696-E698 PolarHBondContact O-N 3.02Å; E698-L701 PolarHBondContact O-N 2.92Å; E698-R702 WeakPolarHBondContact O-CB 3.23Å; E698-R702 WeakPolarHBondContact O-CG 3.39Å; E698-R702 PolarHBondContact O-N 3.23Å; E698-R702 IonicContact OE2-CZ 2.64Å; E698-R702 IonicContact OE2-NE 2.6Å; E698-R702 IonicContact OE2-NH2 2.66Å; E698-R702 PolarHBondContact OE2-NH2 2.87Å |
| 699 | R | 86.3 | Confident | 85 | Confident | 100 Ų | 100 | 69.6 Ų | 69.6 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 177.5 | -76.9 | 176.2 | -70.3 | 158.7 | -3.1 | 111.5 | K695 R696 R697 R703 | K695-R699 VanDerWaalsContact O-CG 3.26Å; K695-R699 WeakPolarHBondContact O-CG 3.36Å; K695-R699 PolarHBondContact O-N 2.82Å; K695-R699 PolarHBondContact O-NE 3.11Å; R696-R699 WeakPolarHBondContact O-CA 3.45Å; R696-R699 WeakPolarHBondContact O-CB 3.27Å; R696-R699 PolarHBondContact O-N 3.27Å; R697-R699 PolarHBondContact O-N 2.69Å; R699-R703 WeakPolarHBondContact O-CB 3.49Å; R699-R703 WeakPolarHBondContact O-CD 3.5Å; R699-R703 WeakPolarHBondContact O-CG 3.49Å; R699-R703 PolarHBondContact O-N 2.69Å |
| 700 | E | 81.9 | Confident | 84.9 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 174.1 | -70 | 159.7 | -143.9 | 0 | 0 | 111.6 | R696 R697 R703 K704 | R696-E700 WeakPolarHBondContact CG-OE1 3.33Å; R696-E700 WeakPolarHBondContact O-CG 3.41Å; R696-E700 PolarHBondContact O-N 3.22Å; R697-E700 WeakPolarHBondContact CD-OE2 3.07Å; R697-E700 IonicContact CZ-OE2 3.29Å; R697-E700 IonicContact NE-OE2 2.68Å; R697-E700 IonicContact NH1-OE2 2.69Å; R697-E700 PolarHBondContact NH1-OE2 3Å; R697-E700 PolarHBondContact O-N 2.79Å; E700-R703 WeakPolarHBondContact O-CB 3.48Å; E700-R703 PolarHBondContact O-N 3.49Å; E700-K704 PolarHBondContact O-N 3.01Å |
| 701 | L | 87.1 | Confident | 84.6 | Confident | 24 Ų | 24 | 81 Ų | 81 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 179.3 | -173.1 | 62.5 | 0 | 0 | 0 | 111.9 | R697 E698 R703 K704 H705 E798 C799 L802 | R697-L701 PolarHBondContact O-N 3.27Å; E698-L701 PolarHBondContact O-N 2.92Å; L701-R703 VanDerWaalsContact C-N 3.27Å; L701-R703 PolarHBondContact O-N 3.37Å; L701-K704 HydrophobicContact CD1-CD 4.28Å; L701-K704 WeakPolarHBondContact O-CB 3.33Å; L701-K704 PolarHBondContact O-N 3.35Å; L701-K704 VanDerWaalsContact O-N 3.08Å; L701-H705 WeakPolarHBondContact CD1-NE2 3.21Å; L701-H705 VanDerWaalsContact CG-CE1 3.45Å; L701-H705 WeakPolarHBondContact CG-CE1 3.16Å; L701-H705 PolarHBondContact O-N 3.38Å; L701-E798 HydrophobicContact CD1-CB 4.2Å; L701-E798 WeakPolarHBondContact CD1-OE2 3.47Å; L701-E798 HydrophobicContact CD2-CB 4.43Å; L701-C799 HydrophobicContact CD2-CB 4.45Å; L701-L802 HydrophobicContact CB-CD2 3.84Å; L701-L802 HydrophobicContact CD2-CB 4.02Å; L701-L802 HydrophobicContact CD2-CD2 3.58Å; L701-L802 HydrophobicContact CD2-CG 4.44Å; L701-L802 HydrophobicContact CG-CD2 4.3Å |
| 702 | R | 86.4 | Confident | 84.1 | Confident | 153 Ų | 153 | 79.2 Ų | 79.2 | 58% | 0.577 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.7 | -37.5 | 174.5 | -67.7 | 168.1 | -165.9 | -121.1 | 12 | 112.1 | E698 V706 | E698-R702 WeakPolarHBondContact O-CB 3.23Å; E698-R702 WeakPolarHBondContact O-CG 3.39Å; E698-R702 PolarHBondContact O-N 3.23Å; E698-R702 IonicContact OE2-CZ 2.64Å; E698-R702 IonicContact OE2-NE 2.6Å; E698-R702 IonicContact OE2-NH2 2.66Å; E698-R702 PolarHBondContact OE2-NH2 2.87Å; R702-V706 WeakPolarHBondContact O-CG2 3.2Å; R702-V706 PolarHBondContact O-N 3.47Å; R702-V706 VanDerWaalsContact O-N 3.09Å |
| 703 | R | 84.5 | Confident | 83.8 | Confident | 121 Ų | 121 | 78.3 Ų | 78.3 | 46% | 0.457 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 173.8 | -75.6 | 166.2 | 174.4 | 179.4 | -4 | 111.9 | R699 E700 L701 M707 | R699-R703 WeakPolarHBondContact O-CB 3.49Å; R699-R703 WeakPolarHBondContact O-CD 3.5Å; R699-R703 WeakPolarHBondContact O-CG 3.49Å; R699-R703 PolarHBondContact O-N 2.69Å; E700-R703 WeakPolarHBondContact O-CB 3.48Å; E700-R703 PolarHBondContact O-N 3.49Å; L701-R703 VanDerWaalsContact C-N 3.27Å; L701-R703 PolarHBondContact O-N 3.37Å; R703-M707 WeakPolarHBondContact O-CB 3.37Å; R703-M707 VanDerWaalsContact O-CG 3.29Å; R703-M707 WeakPolarHBondContact O-CG 3.49Å; R703-M707 PolarHBondContact O-N 3.26Å; R703-M707 VanDerWaalsContact O-N 3.09Å |
| 704 | K | 84.9 | Confident | 83.6 | Confident | 79 Ų | 79 | 83.3 Ų | 83.3 | 34% | 0.343 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.6 | -51.2 | 174 | 174.4 | -179.2 | 175.9 | -69.6 | 0 | 110.7 | E700 L701 V706 M707 E708 E798 | E700-K704 PolarHBondContact O-N 3.01Å; L701-K704 HydrophobicContact CD1-CD 4.28Å; L701-K704 WeakPolarHBondContact O-CB 3.33Å; L701-K704 PolarHBondContact O-N 3.35Å; L701-K704 VanDerWaalsContact O-N 3.08Å; K704-V706 PolarHBondContact O-N 3.43Å; K704-M707 WeakPolarHBondContact O-CA 3.36Å; K704-M707 WeakPolarHBondContact O-CB 3.44Å; K704-M707 PolarHBondContact O-N 3.23Å; K704-E708 VanDerWaalsContact CE-OE1 3.24Å; K704-E708 WeakPolarHBondContact CE-OE1 3.39Å; K704-E708 WeakPolarHBondContact CG-OE1 3.37Å; K704-E708 IonicContact NZ-OE1 3.96Å; K704-E708 PolarHBondContact NZ-OE1 3.2Å; K704-E708 IonicContact NZ-OE2 3.96Å; K704-E708 WeakPolarHBondContact O-CG 3.5Å; K704-E708 PolarHBondContact O-N 3.37Å; K704-E798 IonicContact NZ-OE1 3.52Å; K704-E798 PolarHBondContact NZ-OE1 2.85Å; K704-E798 IonicContact NZ-OE2 2.72Å; K704-E798 PolarHBondContact NZ-OE2 3.21Å |
| 705 | H | 89.3 | Confident | 83 | Confident | 18 Ų | 18 | 84.6 Ų | 84.6 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | -178 | -65.6 | 166.9 | 0 | 0 | 0 | 113.1 | L701 M707 E708 V709 Q795 E798 | L701-H705 WeakPolarHBondContact CD1-NE2 3.21Å; L701-H705 VanDerWaalsContact CG-CE1 3.45Å; L701-H705 WeakPolarHBondContact CG-CE1 3.16Å; L701-H705 PolarHBondContact O-N 3.38Å; H705-M707 VanDerWaalsContact C-N 3.28Å; H705-M707 PolarHBondContact O-N 3.13Å; H705-E708 IonicContact CD2-OE2 2.61Å; H705-E708 PolarHBondContact O-N 2.72Å; H705-V709 WeakPolarHBondContact O-CG2 3.46Å; H705-V709 PolarHBondContact O-N 2.82Å; H705-Q795 VanDerWaalsContact CA-NE2 3.32Å; H705-Q795 HydrophobicContact CB-CG 4.29Å; H705-Q795 VanDerWaalsContact CD2-CG 3.46Å; H705-Q795 WeakPolarHBondContact CD2-CG 3.35Å; H705-Q795 PolarHBondContact CE1-O 3.25Å; H705-Q795 VanDerWaalsContact CE1-O 3.23Å; H705-Q795 PolarHBondContact O-NE2 3.42Å; H705-E798 IonicContact CD2-OE2 3.58Å; H705-E798 IonicContact CE1-OE2 3.61Å; H705-E798 IonicContact NE2-OE2 3.62Å; H705-E798 PolarHBondContact NE2-OE2 2.86Å |
| 706 | V | 86.3 | Confident | 82.7 | Confident | 82 Ų | 82 | 79 Ų | 79 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -34.5 | 173.8 | 170 | 0 | 0 | 0 | 0 | 112.3 | R702 K704 R710 | R702-V706 WeakPolarHBondContact O-CG2 3.2Å; R702-V706 PolarHBondContact O-N 3.47Å; R702-V706 VanDerWaalsContact O-N 3.09Å; K704-V706 PolarHBondContact O-N 3.43Å; V706-R710 WeakPolarHBondContact O-CB 3.46Å; V706-R710 VanDerWaalsContact O-CG 3.29Å; V706-R710 WeakPolarHBondContact O-CG 3.47Å; V706-R710 PolarHBondContact O-N 2.95Å; V706-R710 VanDerWaalsContact O-N 3.09Å |
| 707 | M | 80.8 | Confident | 82.7 | Confident | 104 Ų | 104 | 84.9 Ų | 84.9 | 51% | 0.512 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.8 | -28.3 | 177 | -75.2 | -67.8 | -71 | 0 | 0 | 113.4 | R703 K704 H705 Q711 | R703-M707 WeakPolarHBondContact O-CB 3.37Å; R703-M707 VanDerWaalsContact O-CG 3.29Å; R703-M707 WeakPolarHBondContact O-CG 3.49Å; R703-M707 PolarHBondContact O-N 3.26Å; R703-M707 VanDerWaalsContact O-N 3.09Å; K704-M707 WeakPolarHBondContact O-CA 3.36Å; K704-M707 WeakPolarHBondContact O-CB 3.44Å; K704-M707 PolarHBondContact O-N 3.23Å; H705-M707 VanDerWaalsContact C-N 3.28Å; H705-M707 PolarHBondContact O-N 3.13Å; M707-Q711 WeakPolarHBondContact O-CG 3.4Å; M707-Q711 PolarHBondContact O-N 3.35Å; M707-Q711 PolarHBondContact O-NE2 3.24Å; M707-Q711 VanDerWaalsContact O-NE2 3.14Å |
| 708 | E | 82.7 | Confident | 82.6 | Confident | 55 Ų | 55 | 84.4 Ų | 84.4 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.9 | -48.7 | 172.9 | -72.7 | 165.5 | 171 | 0 | 0 | 111.2 | K704 H705 R710 Q711 Q712 L791 Q795 | K704-E708 VanDerWaalsContact CE-OE1 3.24Å; K704-E708 WeakPolarHBondContact CE-OE1 3.39Å; K704-E708 WeakPolarHBondContact CG-OE1 3.37Å; K704-E708 IonicContact NZ-OE1 3.96Å; K704-E708 PolarHBondContact NZ-OE1 3.2Å; K704-E708 IonicContact NZ-OE2 3.96Å; K704-E708 WeakPolarHBondContact O-CG 3.5Å; K704-E708 PolarHBondContact O-N 3.37Å; H705-E708 IonicContact CD2-OE2 2.61Å; H705-E708 PolarHBondContact O-N 2.72Å; E708-R710 PolarHBondContact O-N 3.48Å; E708-Q711 CarbonylContact O-C 3.57Å; E708-Q711 WeakPolarHBondContact O-CA 3.43Å; E708-Q711 PolarHBondContact O-N 3.23Å; E708-Q712 PolarHBondContact O-N 2.99Å; E708-L791 HydrophobicContact CB-CD1 4.41Å; E708-Q795 PolarHBondContact OE2-NE2 3.04Å |
| 709 | V | 84.2 | Confident | 82.3 | Confident | 67 Ų | 67 | 85.3 Ų | 85.3 | 41% | 0.406 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.1 | -38.3 | 174.2 | 173.3 | 0 | 0 | 0 | 0 | 111 | H705 Q711 P713 L791 | H705-V709 WeakPolarHBondContact O-CG2 3.46Å; H705-V709 PolarHBondContact O-N 2.82Å; V709-Q711 VanDerWaalsContact C-N 3.28Å; V709-Q711 PolarHBondContact O-N 2.92Å; V709-P713 WeakPolarHBondContact O-CD 3.47Å; V709-L791 HydrophobicContact CG2-CD2 3.98Å |
| 710 | R | 81.8 | Confident | 82.2 | Confident | 184 Ų | 184 | 82.8 Ų | 82.8 | 69% | 0.694 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.7 | 173.4 | -79.9 | 177.1 | 166.3 | -163.4 | -4.1 | 114.8 | V706 E708 | V706-R710 WeakPolarHBondContact O-CB 3.46Å; V706-R710 VanDerWaalsContact O-CG 3.29Å; V706-R710 WeakPolarHBondContact O-CG 3.47Å; V706-R710 PolarHBondContact O-N 2.95Å; V706-R710 VanDerWaalsContact O-N 3.09Å; E708-R710 PolarHBondContact O-N 3.48Å |
| 711 | Q | 79 | Confident | 82.4 | Confident | 119 Ų | 119 | 85.8 Ų | 85.8 | 56% | 0.556 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -28.5 | 178.3 | -75.4 | -179.6 | 85.8 | 0 | 0 | 113.2 | M707 E708 V709 K714 S715 | M707-Q711 WeakPolarHBondContact O-CG 3.4Å; M707-Q711 PolarHBondContact O-N 3.35Å; M707-Q711 PolarHBondContact O-NE2 3.24Å; M707-Q711 VanDerWaalsContact O-NE2 3.14Å; E708-Q711 CarbonylContact O-C 3.57Å; E708-Q711 WeakPolarHBondContact O-CA 3.43Å; E708-Q711 PolarHBondContact O-N 3.23Å; V709-Q711 VanDerWaalsContact C-N 3.28Å; V709-Q711 PolarHBondContact O-N 2.92Å; Q711-K714 WeakPolarHBondContact O-CB 3.41Å; Q711-K714 PolarHBondContact O-N 3.49Å; Q711-S715 PolarHBondContact O-N 2.97Å |
| 712 | Q | 76.8 | Confident | 82.2 | Confident | 37 Ų | 37 | 90.5 Ų | 90.5 | 17% | 0.173 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -49.5 | -45.9 | -178 | -172.1 | -158.1 | 43.6 | 0 | 0 | 112.9 | E708 K714 S715 L716 Q787 L791 | E708-Q712 PolarHBondContact O-N 2.99Å; Q712-K714 VanDerWaalsContact C-N 3.25Å; Q712-K714 PolarHBondContact O-N 3Å; Q712-K714 VanDerWaalsContact O-N 3.17Å; Q712-S715 PolarHBondContact O-N 3.24Å; Q712-S715 VanDerWaalsContact O-N 3.13Å; Q712-L716 HydrophobicContact CG-CD1 3.87Å; Q712-L716 HydrophobicContact CG-CG 4.24Å; Q712-L716 VanDerWaalsContact O-CG 3.32Å; Q712-L716 WeakPolarHBondContact O-CG 3.5Å; Q712-L716 PolarHBondContact O-N 3.29Å; Q712-Q787 PolarHBondContact NE2-O 2.89Å; Q712-L791 HydrophobicContact CB-CD2 4.24Å; Q712-L791 HydrophobicContact CG-CD2 4.15Å |
| 713 | P | 77.6 | Confident | 82.1 | Confident | 65 Ų | 65 | 84.6 Ų | 84.6 | 42% | 0.422 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.9 | -26.9 | 177.2 | -25.4 | 35.2 | 0 | 0 | 0 | 115.1 | V709 K717 | V709-P713 WeakPolarHBondContact O-CD 3.47Å; P713-K717 WeakPolarHBondContact O-CB 3.3Å; P713-K717 VanDerWaalsContact O-CG 3.29Å; P713-K717 WeakPolarHBondContact O-CG 3.38Å; P713-K717 PolarHBondContact O-N 2.94Å; P713-K717 VanDerWaalsContact O-N 3.1Å |
| 714 | K | 76.9 | Confident | 82.2 | Confident | 158 Ų | 158 | 82.1 Ų | 82.1 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -76.1 | -39.5 | 176.8 | -60.5 | -176.8 | -178.9 | -179.1 | 0 | 111.2 | Q711 Q712 S718 | Q711-K714 WeakPolarHBondContact O-CB 3.41Å; Q711-K714 PolarHBondContact O-N 3.49Å; Q712-K714 VanDerWaalsContact C-N 3.25Å; Q712-K714 PolarHBondContact O-N 3Å; Q712-K714 VanDerWaalsContact O-N 3.17Å; K714-S718 PolarHBondContact O-N 3.19Å |
| 715 | S | 76 | Confident | 82.3 | Confident | 50 Ų | 50 | 84.2 Ų | 84.2 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | Q711 Q712 K717 S718 K719 | Q711-S715 PolarHBondContact O-N 2.97Å; Q712-S715 PolarHBondContact O-N 3.24Å; Q712-S715 VanDerWaalsContact O-N 3.13Å; S715-K717 PolarHBondContact O-N 2.75Å; S715-S718 WeakPolarHBondContact O-CB 3.37Å; S715-S718 PolarHBondContact O-N 3Å; S715-S718 VanDerWaalsContact O-N 3.15Å; S715-K719 PolarHBondContact O-N 2.95Å |
| 716 | L | 81.3 | Confident | 82.1 | Confident | 18 Ų | 18 | 88.5 Ų | 88.5 | 9% | 0.094 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 178.5 | -68.3 | 173.3 | 0 | 0 | 0 | 111.8 | Q712 S718 K719 E720 M783 L784 Q787 | Q712-L716 HydrophobicContact CG-CD1 3.87Å; Q712-L716 HydrophobicContact CG-CG 4.24Å; Q712-L716 VanDerWaalsContact O-CG 3.32Å; Q712-L716 WeakPolarHBondContact O-CG 3.5Å; Q712-L716 PolarHBondContact O-N 3.29Å; L716-S718 VanDerWaalsContact C-N 3.25Å; L716-S718 PolarHBondContact O-N 2.78Å; L716-K719 PolarHBondContact O-N 3.44Å; L716-K719 VanDerWaalsContact O-N 3.08Å; L716-E720 WeakPolarHBondContact O-CB 3.32Å; L716-E720 PolarHBondContact O-N 2.96Å; L716-M783 HydrophobicContact CD2-SD 3.72Å; L716-L784 HydrophobicContact CB-CD2 4.1Å; L716-L784 HydrophobicContact CD1-CD2 3.87Å; L716-L784 HydrophobicContact CD2-CD2 4.14Å; L716-L784 HydrophobicContact CG-CD2 4.25Å; L716-Q787 HydrophobicContact CD2-CB 3.94Å; L716-Q787 HydrophobicContact CD2-CG 3.84Å |
| 717 | K | 82.1 | Confident | 82.2 | Confident | 142 Ų | 142 | 87.2 Ų | 87.2 | 62% | 0.617 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.3 | -31.6 | 176 | -78.1 | -180 | 177.3 | -173.2 | 0 | 113.9 | P713 S715 L721 | P713-K717 WeakPolarHBondContact O-CB 3.3Å; P713-K717 VanDerWaalsContact O-CG 3.29Å; P713-K717 WeakPolarHBondContact O-CG 3.38Å; P713-K717 PolarHBondContact O-N 2.94Å; P713-K717 VanDerWaalsContact O-N 3.1Å; S715-K717 PolarHBondContact O-N 2.75Å; K717-L721 WeakPolarHBondContact O-CB 3.41Å; K717-L721 PolarHBondContact O-N 3.45Å |
| 718 | S | 81.6 | Confident | 82.5 | Confident | 72 Ų | 72 | 87.3 Ų | 87.3 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69 | -41.6 | 174.6 | -163.8 | 0 | 0 | 0 | 0 | 111.8 | K714 S715 L716 L721 Q722 | K714-S718 PolarHBondContact O-N 3.19Å; S715-S718 WeakPolarHBondContact O-CB 3.37Å; S715-S718 PolarHBondContact O-N 3Å; S715-S718 VanDerWaalsContact O-N 3.15Å; L716-S718 VanDerWaalsContact C-N 3.25Å; L716-S718 PolarHBondContact O-N 2.78Å; S718-L721 PolarHBondContact O-N 3.29Å; S718-Q722 PolarHBondContact O-N 3.15Å; S718-Q722 VanDerWaalsContact O-N 3.15Å |
| 719 | K | 80.9 | Confident | 82.7 | Confident | 86 Ų | 86 | 89 Ų | 89 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 175.1 | -66.4 | -175 | 178.2 | -173.8 | 0 | 111.6 | S715 L716 L721 Q722 I723 M783 | S715-K719 PolarHBondContact O-N 2.95Å; L716-K719 PolarHBondContact O-N 3.44Å; L716-K719 VanDerWaalsContact O-N 3.08Å; K719-L721 VanDerWaalsContact C-N 3.29Å; K719-L721 PolarHBondContact O-N 3.06Å; K719-Q722 WeakPolarHBondContact O-CB 3.19Å; K719-Q722 PolarHBondContact O-N 3.43Å; K719-I723 WeakPolarHBondContact O-CG1 3.43Å; K719-I723 PolarHBondContact O-N 3.03Å; K719-M783 HydrophobicContact CB-CE 4.28Å; K719-M783 HydrophobicContact CB-SD 4.27Å; K719-M783 HydrophobicContact CD-SD 4.1Å |
| 720 | E | 85.2 | Confident | 82.8 | Confident | 48 Ų | 48 | 88.6 Ų | 88.6 | 22% | 0.224 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -54.7 | -44 | 174.1 | -168.3 | -156.6 | 144.6 | 0 | 0 | 111.3 | L716 I723 K724 I780 | L716-E720 WeakPolarHBondContact O-CB 3.32Å; L716-E720 PolarHBondContact O-N 2.96Å; E720-I723 PolarHBondContact O-N 3.34Å; E720-K724 HydrophobicContact CG-CD 4.47Å; E720-K724 WeakPolarHBondContact O-CB 3.25Å; E720-K724 VanDerWaalsContact O-CG 3.28Å; E720-K724 WeakPolarHBondContact O-CG 3.36Å; E720-K724 PolarHBondContact O-N 2.96Å; E720-K724 WeakPolarHBondContact OE1-CE 3.25Å; E720-K724 IonicContact OE1-NZ 2.73Å; E720-K724 PolarHBondContact OE1-NZ 3.14Å; E720-I780 HydrophobicContact CG-CD1 4.01Å |
| 721 | L | 85.1 | Confident | 83 | Confident | 119 Ų | 119 | 80.9 Ų | 80.9 | 62% | 0.623 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66 | -35.6 | 175.5 | -174.9 | 61.9 | 0 | 0 | 0 | 112.9 | K717 S718 K719 K724 K725 | K717-L721 WeakPolarHBondContact O-CB 3.41Å; K717-L721 PolarHBondContact O-N 3.45Å; S718-L721 PolarHBondContact O-N 3.29Å; K719-L721 VanDerWaalsContact C-N 3.29Å; K719-L721 PolarHBondContact O-N 3.06Å; L721-K724 WeakPolarHBondContact O-CB 2.94Å; L721-K725 PolarHBondContact O-N 3.31Å |
| 722 | Q | 83.9 | Confident | 83.4 | Confident | 123 Ų | 123 | 80.8 Ų | 80.8 | 58% | 0.575 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.9 | -43.9 | 175.2 | -172.8 | 174.5 | 0.7 | 0 | 0 | 111.7 | S718 K719 K725 Q726 | S718-Q722 PolarHBondContact O-N 3.15Å; S718-Q722 VanDerWaalsContact O-N 3.15Å; K719-Q722 WeakPolarHBondContact O-CB 3.19Å; K719-Q722 PolarHBondContact O-N 3.43Å; Q722-K725 WeakPolarHBondContact O-CB 3.47Å; Q722-K725 PolarHBondContact O-N 3.45Å; Q722-Q726 PolarHBondContact O-N 2.96Å |
| 723 | I | 84.4 | Confident | 83.8 | Confident | 29 Ų | 29 | 82.4 Ų | 82.4 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 174.5 | -63.4 | 164 | 0 | 0 | 0 | 110 | K719 E720 K725 Q726 F727 Y776 I780 M783 | K719-I723 WeakPolarHBondContact O-CG1 3.43Å; K719-I723 PolarHBondContact O-N 3.03Å; E720-I723 PolarHBondContact O-N 3.34Å; I723-K725 VanDerWaalsContact C-N 3.32Å; I723-K725 PolarHBondContact O-N 2.93Å; I723-Q726 PolarHBondContact O-N 2.91Å; I723-F727 WeakPolarHBondContact O-CB 3.12Å; I723-F727 PolarHBondContact O-N 2.95Å; I723-Y776 HydrophobicContact CG2-CD2 3.82Å; I723-Y776 HydrophobicContact CG2-CE2 4.02Å; I723-I780 HydrophobicContact CB-CG1 4.45Å; I723-I780 HydrophobicContact CD1-CG1 4.2Å; I723-I780 HydrophobicContact CG2-CD1 4.23Å; I723-I780 HydrophobicContact CG2-CG1 3.96Å; I723-M783 HydrophobicContact CD1-CE 4.15Å; I723-M783 HydrophobicContact CD1-CG 4.47Å |
| 724 | K | 85.3 | Confident | 84.1 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 30% | 0.3 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.5 | -41.9 | 171.6 | -80.4 | 170.4 | 173.2 | 176.8 | 0 | 112.7 | E720 L721 Q728 Y776 | E720-K724 HydrophobicContact CG-CD 4.47Å; E720-K724 WeakPolarHBondContact O-CB 3.25Å; E720-K724 VanDerWaalsContact O-CG 3.28Å; E720-K724 WeakPolarHBondContact O-CG 3.36Å; E720-K724 PolarHBondContact O-N 2.96Å; E720-K724 WeakPolarHBondContact OE1-CE 3.25Å; E720-K724 IonicContact OE1-NZ 2.73Å; E720-K724 PolarHBondContact OE1-NZ 3.14Å; L721-K724 WeakPolarHBondContact O-CB 2.94Å; K724-Q728 VanDerWaalsContact O-CG 3.31Å; K724-Q728 WeakPolarHBondContact O-CG 3.46Å; K724-Q728 PolarHBondContact O-N 3.03Å; K724-Y776 HydrophobicContact CB-CE2 4.47Å; K724-Y776 WeakPolarHBondContact CE-OH 3.37Å; K724-Y776 HydrophobicContact CG-CE2 3.74Å; K724-Y776 WeakPolarHBondContact CG-OH 3.32Å |
| 725 | K | 87.9 | Confident | 84.4 | Confident | 124 Ų | 124 | 76.9 Ų | 76.9 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 176.6 | -175.8 | 179.3 | 171.3 | -176.6 | 0 | 111.5 | L721 Q722 I723 F727 Q728 E729 | L721-K725 PolarHBondContact O-N 3.31Å; Q722-K725 WeakPolarHBondContact O-CB 3.47Å; Q722-K725 PolarHBondContact O-N 3.45Å; I723-K725 VanDerWaalsContact C-N 3.32Å; I723-K725 PolarHBondContact O-N 2.93Å; K725-F727 PolarHBondContact O-N 3.47Å; K725-Q728 PolarHBondContact O-N 3.15Å; K725-E729 WeakPolarHBondContact CE-OE1 3.49Å; K725-E729 IonicContact NZ-OE1 2.76Å; K725-E729 WeakPolarHBondContact O-CG 3.15Å; K725-E729 PolarHBondContact O-N 3.32Å |
| 726 | Q | 84.9 | Confident | 84.8 | Confident | 108 Ų | 108 | 83.9 Ų | 83.9 | 51% | 0.505 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.9 | -71.4 | 173.7 | -34.7 | 0 | 0 | 112.2 | Q722 I723 E729 T730 | Q722-Q726 PolarHBondContact O-N 2.96Å; I723-Q726 PolarHBondContact O-N 2.91Å; Q726-E729 PolarHBondContact O-N 2.87Å; Q726-T730 WeakPolarHBondContact O-CB 3.46Å; Q726-T730 PolarHBondContact O-N 3.47Å; Q726-T730 PolarHBondContact O-OG1 3.04Å |
| 727 | F | 88.5 | Confident | 84.9 | Confident | 54 Ų | 54 | 88.6 Ų | 88.6 | 24% | 0.237 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 173.4 | 173.4 | -105.1 | 0 | 0 | 0 | 111.9 | I723 K725 E729 T730 C731 L772 A773 Y776 | I723-F727 WeakPolarHBondContact O-CB 3.12Å; I723-F727 PolarHBondContact O-N 2.95Å; K725-F727 PolarHBondContact O-N 3.47Å; F727-E729 PolarHBondContact O-N 2.8Å; F727-T730 PolarHBondContact O-N 3.05Å; F727-C731 VanDerWaalsContact CZ-SG 3.57Å; F727-C731 WeakPolarHBondContact O-CB 3.46Å; F727-C731 PolarHBondContact O-N 3.49Å; F727-C731 PolarHBondContact O-SG 3.13Å; F727-C731 VanDerWaalsContact O-SG 3.37Å; F727-L772 HydrophobicContact CD2-CD2 4.11Å; F727-L772 HydrophobicContact CD2-CG 4.04Å; F727-L772 HydrophobicContact CE2-CB 4.24Å; F727-L772 HydrophobicContact CE2-CD2 3.88Å; F727-L772 HydrophobicContact CE2-CG 3.8Å; F727-L772 WeakPolarHBondContact CE2-O 3.24Å; F727-A773 HydrophobicContact CE2-CB 4.42Å; F727-A773 HydrophobicContact CZ-CB 4.2Å; F727-Y776 HydrophobicContact CB-CD2 3.54Å; F727-Y776 HydrophobicContact CB-CE2 4.13Å; F727-Y776 HydrophobicContact CB-CG 4.18Å; F727-Y776 HydrophobicContact CD1-CD2 4.26Å; F727-Y776 HydrophobicContact CD1-CG 4.37Å; F727-Y776 HydrophobicContact CD2-CD2 4.13Å; F727-Y776 AromaticContact CD2-CG 3.87Å; F727-Y776 HydrophobicContact CD2-CG 3.87Å; F727-Y776 HydrophobicContact CE2-CG 4.34Å; F727-Y776 AromaticContact CG-CD2 3.73Å; F727-Y776 HydrophobicContact CG-CD2 3.73Å; F727-Y776 HydrophobicContact CG-CE2 4.37Å; F727-Y776 AromaticContact CG-CG 3.88Å; F727-Y776 HydrophobicContact CG-CG 3.88Å |
| 728 | Q | 85.8 | Confident | 85 | Confident | 106 Ų | 106 | 83.4 Ų | 83.4 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 175.8 | -74 | 179.3 | 21.9 | 0 | 0 | 113 | K724 K725 K732 | K724-Q728 VanDerWaalsContact O-CG 3.31Å; K724-Q728 WeakPolarHBondContact O-CG 3.46Å; K724-Q728 PolarHBondContact O-N 3.03Å; K725-Q728 PolarHBondContact O-N 3.15Å; Q728-K732 WeakPolarHBondContact O-CB 3.44Å; Q728-K732 WeakPolarHBondContact O-CD 3.46Å; Q728-K732 WeakPolarHBondContact O-CG 3.25Å; Q728-K732 PolarHBondContact O-N 2.95Å |
| 729 | E | 87.6 | Confident | 85.1 | Confident | 90 Ų | 90 | 86.3 Ų | 86.3 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 176.9 | -74 | 168.8 | 179.5 | 0 | 0 | 111.7 | K725 Q726 F727 K732 T733 | K725-E729 WeakPolarHBondContact CE-OE1 3.49Å; K725-E729 IonicContact NZ-OE1 2.76Å; K725-E729 WeakPolarHBondContact O-CG 3.15Å; K725-E729 PolarHBondContact O-N 3.32Å; Q726-E729 PolarHBondContact O-N 2.87Å; F727-E729 PolarHBondContact O-N 2.8Å; E729-K732 PolarHBondContact O-N 3.08Å; E729-T733 WeakPolarHBondContact O-CB 3.38Å; E729-T733 PolarHBondContact O-N 2.89Å; E729-T733 PolarHBondContact O-OG1 2.83Å |
| 730 | T | 86.3 | Confident | 85.3 | Confident | 60 Ų | 60 | 85.2 Ų | 85.2 | 37% | 0.368 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 172.5 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | Q726 F727 K732 T733 Q734 L772 | Q726-T730 WeakPolarHBondContact O-CB 3.46Å; Q726-T730 PolarHBondContact O-N 3.47Å; Q726-T730 PolarHBondContact O-OG1 3.04Å; F727-T730 PolarHBondContact O-N 3.05Å; T730-K732 PolarHBondContact O-N 3.21Å; T730-T733 PolarHBondContact O-N 3.47Å; T730-T733 VanDerWaalsContact O-N 3.14Å; T730-Q734 WeakPolarHBondContact O-CB 3.49Å; T730-Q734 WeakPolarHBondContact O-CG 3.5Å; T730-Q734 PolarHBondContact O-N 3.33Å; T730-L772 HydrophobicContact CG2-CD1 3.95Å; T730-L772 HydrophobicContact CG2-CD2 3.85Å |
| 731 | C | 86.1 | Confident | 85.1 | Confident | 22 Ų | 22 | 86.8 Ų | 86.8 | 15% | 0.149 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.2 | -43.3 | 172.9 | -77.9 | 0 | 0 | 0 | 0 | 112.7 | F727 T733 T735 L769 | F727-C731 VanDerWaalsContact CZ-SG 3.57Å; F727-C731 WeakPolarHBondContact O-CB 3.46Å; F727-C731 PolarHBondContact O-N 3.49Å; F727-C731 PolarHBondContact O-SG 3.13Å; F727-C731 VanDerWaalsContact O-SG 3.37Å; C731-T733 VanDerWaalsContact C-N 3.32Å; C731-T733 PolarHBondContact O-N 3.18Å; C731-T735 VanDerWaalsContact O-CB 3.28Å; C731-T735 WeakPolarHBondContact O-CB 3.29Å; C731-T735 PolarHBondContact O-N 2.91Å; C731-T735 PolarHBondContact O-OG1 2.88Å; C731-L769 HydrophobicContact CB-CD2 4.49Å |
| 732 | K | 87.6 | Confident | 85.1 | Confident | 116 Ų | 116 | 86.1 Ų | 86.1 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 174.8 | -73.8 | 161.3 | -171.5 | 166.3 | 0 | 111.2 | Q728 E729 T730 T735 R736 | Q728-K732 WeakPolarHBondContact O-CB 3.44Å; Q728-K732 WeakPolarHBondContact O-CD 3.46Å; Q728-K732 WeakPolarHBondContact O-CG 3.25Å; Q728-K732 PolarHBondContact O-N 2.95Å; E729-K732 PolarHBondContact O-N 3.08Å; T730-K732 PolarHBondContact O-N 3.21Å; K732-T735 PolarHBondContact O-N 3.27Å; K732-R736 WeakPolarHBondContact O-CG 3.49Å; K732-R736 PolarHBondContact O-N 2.99Å |
| 733 | T | 85.8 | Confident | 85 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 44% | 0.436 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69 | -50 | 179.5 | -58 | 0 | 0 | 0 | 0 | 111.8 | E729 T730 C731 T735 R736 Q737 | E729-T733 WeakPolarHBondContact O-CB 3.38Å; E729-T733 PolarHBondContact O-N 2.89Å; E729-T733 PolarHBondContact O-OG1 2.83Å; T730-T733 PolarHBondContact O-N 3.47Å; T730-T733 VanDerWaalsContact O-N 3.14Å; C731-T733 VanDerWaalsContact C-N 3.32Å; C731-T733 PolarHBondContact O-N 3.18Å; T733-T735 VanDerWaalsContact C-N 3.25Å; T733-T735 PolarHBondContact O-N 2.82Å; T733-R736 PolarHBondContact O-N 2.77Å; T733-R736 VanDerWaalsContact O-N 3.07Å; T733-Q737 WeakPolarHBondContact O-CG 3.48Å; T733-Q737 PolarHBondContact O-N 3.31Å |
| 734 | Q | 82.7 | Confident | 85 | Confident | 61 Ų | 61 | 88.1 Ų | 88.1 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -53.8 | -42 | 171.2 | -73.7 | -110.3 | 2.1 | 0 | 0 | 111.5 | T730 R736 Q737 Y738 | T730-Q734 WeakPolarHBondContact O-CB 3.49Å; T730-Q734 WeakPolarHBondContact O-CG 3.5Å; T730-Q734 PolarHBondContact O-N 3.33Å; Q734-R736 PolarHBondContact O-N 3.14Å; Q734-Q737 PolarHBondContact O-N 3.04Å; Q734-Y738 WeakPolarHBondContact O-CB 3.48Å; Q734-Y738 PolarHBondContact O-N 2.92Å |
| 735 | T | 83.4 | Confident | 84.7 | Confident | 47 Ų | 47 | 87.4 Ų | 87.4 | 29% | 0.288 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.9 | -33.7 | 178 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | C731 K732 T733 K739 | C731-T735 VanDerWaalsContact O-CB 3.28Å; C731-T735 WeakPolarHBondContact O-CB 3.29Å; C731-T735 PolarHBondContact O-N 2.91Å; C731-T735 PolarHBondContact O-OG1 2.88Å; K732-T735 PolarHBondContact O-N 3.27Å; T733-T735 VanDerWaalsContact C-N 3.25Å; T733-T735 PolarHBondContact O-N 2.82Å; T735-K739 WeakPolarHBondContact O-CG 3.35Å; T735-K739 PolarHBondContact O-N 2.97Å; T735-K739 VanDerWaalsContact O-N 3.11Å |
| 736 | R | 85.3 | Confident | 84.3 | Confident | 196 Ų | 196 | 83.2 Ų | 83.2 | 74% | 0.74 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.8 | -47.8 | 172.7 | -73.8 | 175.8 | -179.9 | -166.7 | 0.6 | 111.5 | K732 T733 Q734 Y738 K739 A740 | K732-R736 WeakPolarHBondContact O-CG 3.49Å; K732-R736 PolarHBondContact O-N 2.99Å; T733-R736 PolarHBondContact O-N 2.77Å; T733-R736 VanDerWaalsContact O-N 3.07Å; Q734-R736 PolarHBondContact O-N 3.14Å; R736-Y738 VanDerWaalsContact C-N 3.31Å; R736-Y738 PolarHBondContact O-N 2.91Å; R736-K739 PolarHBondContact O-N 3.43Å; R736-A740 PolarHBondContact O-N 3.34Å |
| 737 | Q | 82.5 | Confident | 84.1 | Confident | 118 Ų | 118 | 85.3 Ų | 85.3 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.2 | -43.9 | 175.7 | -71.5 | 170.2 | -24.3 | 0 | 0 | 111.2 | T733 Q734 K739 A740 L741 | T733-Q737 WeakPolarHBondContact O-CG 3.48Å; T733-Q737 PolarHBondContact O-N 3.31Å; Q734-Q737 PolarHBondContact O-N 3.04Å; Q737-K739 PolarHBondContact O-N 3.24Å; Q737-A740 PolarHBondContact O-N 3.29Å; Q737-L741 WeakPolarHBondContact O-CB 3.46Å; Q737-L741 PolarHBondContact O-N 3.39Å |
| 738 | Y | 84.8 | Confident | 83.6 | Confident | 32 Ų | 32 | 87 Ų | 87 | 13% | 0.125 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 175.4 | 177 | -103.3 | 0 | 0 | 0 | 113 | Q734 R736 R742 L761 K762 Q765 | Q734-Y738 WeakPolarHBondContact O-CB 3.48Å; Q734-Y738 PolarHBondContact O-N 2.92Å; R736-Y738 VanDerWaalsContact C-N 3.31Å; R736-Y738 PolarHBondContact O-N 2.91Å; Y738-R742 WeakPolarHBondContact O-CB 3.4Å; Y738-R742 PolarHBondContact O-N 2.81Å; Y738-L761 HydrophobicContact CE2-CB 3.76Å; Y738-L761 HydrophobicContact CE2-CD2 4.21Å; Y738-L761 HydrophobicContact CE2-CG 4.49Å; Y738-L761 VanDerWaalsContact CE2-O 3.26Å; Y738-L761 WeakPolarHBondContact CE2-O 3.25Å; Y738-L761 WeakPolarHBondContact OH-CB 3.18Å; Y738-L761 PolarHBondContact OH-O 3.42Å; Y738-K762 WeakPolarHBondContact OH-CA 3.23Å; Y738-K762 PolarHBondContact OH-N 3.33Å; Y738-Q765 VanDerWaalsContact CD1-CD 3.46Å; Y738-Q765 HydrophobicContact CD1-CG 4.11Å; Y738-Q765 HydrophobicContact CD2-CB 3.95Å; Y738-Q765 HydrophobicContact CD2-CG 4.08Å; Y738-Q765 HydrophobicContact CE1-CB 4.39Å; Y738-Q765 VanDerWaalsContact CE1-CD 3.45Å; Y738-Q765 HydrophobicContact CE1-CG 4.23Å; Y738-Q765 HydrophobicContact CE2-CB 3.71Å; Y738-Q765 HydrophobicContact CE2-CG 4.21Å; Y738-Q765 HydrophobicContact CG-CB 4.39Å; Y738-Q765 HydrophobicContact CG-CG 4.02Å |
| 739 | K | 83.9 | Confident | 83.2 | Confident | 133 Ų | 133 | 83.3 Ų | 83.3 | 58% | 0.578 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.2 | -43.7 | 173.9 | -78.4 | 176.9 | 176.8 | -173.9 | 0 | 111.9 | T735 R736 Q737 N743 | T735-K739 WeakPolarHBondContact O-CG 3.35Å; T735-K739 PolarHBondContact O-N 2.97Å; T735-K739 VanDerWaalsContact O-N 3.11Å; R736-K739 PolarHBondContact O-N 3.43Å; Q737-K739 PolarHBondContact O-N 3.24Å; K739-N743 VanDerWaalsContact O-CG 3.27Å; K739-N743 PolarHBondContact O-N 3.23Å; K739-N743 PolarHBondContact O-OD1 3.34Å |
| 740 | A | 83.6 | Confident | 82.6 | Confident | 64 Ų | 64 | 82.6 Ų | 82.6 | 53% | 0.529 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.9 | -49.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | R736 Q737 R742 N743 H744 | R736-A740 PolarHBondContact O-N 3.34Å; Q737-A740 PolarHBondContact O-N 3.29Å; A740-R742 PolarHBondContact O-N 2.87Å; A740-N743 PolarHBondContact O-N 2.86Å; A740-H744 PolarHBondContact O-N 2.96Å |
| 741 | L | 82.9 | Confident | 82 | Confident | 81 Ų | 81 | 88.8 Ų | 88.8 | 42% | 0.424 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 177.3 | 179 | 61.7 | 0 | 0 | 0 | 112 | Q737 L745 L761 | Q737-L741 WeakPolarHBondContact O-CB 3.46Å; Q737-L741 PolarHBondContact O-N 3.39Å; L741-L745 HydrophobicContact CD1-CD1 3.86Å; L741-L745 HydrophobicContact CD1-CG 4.2Å; L741-L745 HydrophobicContact CG-CD1 3.91Å; L741-L745 WeakPolarHBondContact O-CB 3.27Å; L741-L745 VanDerWaalsContact O-CG 3.31Å; L741-L745 WeakPolarHBondContact O-CG 3.32Å; L741-L745 PolarHBondContact O-N 2.65Å; L741-L761 HydrophobicContact CD2-CD2 4.48Å |
| 742 | R | 84 | Confident | 81.7 | Confident | 104 Ų | 104 | 92.6 Ų | 92.6 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 174.6 | 172.6 | -173.7 | 146.1 | 176 | -4.2 | 111.6 | Y738 A740 L745 L746 L758 L761 | Y738-R742 WeakPolarHBondContact O-CB 3.4Å; Y738-R742 PolarHBondContact O-N 2.81Å; A740-R742 PolarHBondContact O-N 2.87Å; R742-L745 PolarHBondContact O-N 3.2Å; R742-L746 HydrophobicContact CG-CD1 3.87Å; R742-L746 HydrophobicContact CG-CG 4.49Å; R742-L746 WeakPolarHBondContact O-CB 3.3Å; R742-L746 VanDerWaalsContact O-CG 3.25Å; R742-L746 WeakPolarHBondContact O-CG 3.37Å; R742-L746 PolarHBondContact O-N 3.2Å; R742-L758 HydrophobicContact CG-CD2 3.96Å; R742-L761 HydrophobicContact CB-CD1 4.21Å; R742-L761 HydrophobicContact CG-CD1 4.38Å |
| 743 | N | 82.6 | Confident | 81.4 | Confident | 83 Ų | 83 | 92.2 Ų | 92.2 | 44% | 0.444 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.6 | -49.9 | -179.2 | -72.2 | 5.2 | 0 | 0 | 0 | 110.7 | K739 A740 L745 L746 E747 | K739-N743 VanDerWaalsContact O-CG 3.27Å; K739-N743 PolarHBondContact O-N 3.23Å; K739-N743 PolarHBondContact O-OD1 3.34Å; A740-N743 PolarHBondContact O-N 2.86Å; N743-L745 VanDerWaalsContact C-N 3.32Å; N743-L745 PolarHBondContact O-N 3.24Å; N743-L746 PolarHBondContact O-N 2.81Å; N743-E747 WeakPolarHBondContact O-CG 3.43Å; N743-E747 PolarHBondContact O-N 3.27Å |
| 744 | H | 83.5 | Confident | 81.1 | Confident | 112 Ų | 112 | 90.9 Ų | 90.9 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.6 | -40.1 | 178.2 | -176.7 | 54.8 | 0 | 0 | 0 | 113.1 | A740 E747 T748 | A740-H744 PolarHBondContact O-N 2.96Å; H744-E747 PolarHBondContact O-N 3.08Å; H744-T748 WeakPolarHBondContact O-CG2 3.45Å; H744-T748 PolarHBondContact O-N 3.33Å; H744-T748 VanDerWaalsContact O-N 3.15Å; H744-T748 PolarHBondContact O-OG1 2.72Å |
| 745 | L | 79.7 | Confident | 81.1 | Confident | 54 Ų | 54 | 96.8 Ų | 96.8 | 28% | 0.283 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.5 | -32.2 | 175 | -72.9 | 170 | 0 | 0 | 0 | 113 | L741 R742 N743 T748 T749 V757 L761 | L741-L745 HydrophobicContact CD1-CD1 3.86Å; L741-L745 HydrophobicContact CD1-CG 4.2Å; L741-L745 HydrophobicContact CG-CD1 3.91Å; L741-L745 WeakPolarHBondContact O-CB 3.27Å; L741-L745 VanDerWaalsContact O-CG 3.31Å; L741-L745 WeakPolarHBondContact O-CG 3.32Å; L741-L745 PolarHBondContact O-N 2.65Å; R742-L745 PolarHBondContact O-N 3.2Å; N743-L745 VanDerWaalsContact C-N 3.32Å; N743-L745 PolarHBondContact O-N 3.24Å; L745-T748 WeakPolarHBondContact CA-OG1 3.49Å; L745-T748 PolarHBondContact O-OG1 2.71Å; L745-T749 WeakPolarHBondContact O-CB 3.37Å; L745-T749 PolarHBondContact O-N 3.28Å; L745-T749 VanDerWaalsContact O-N 3.09Å; L745-T749 PolarHBondContact O-OG1 2.92Å; L745-V757 HydrophobicContact CB-CG1 4.34Å; L745-L761 HydrophobicContact CD1-CD1 3.95Å; L745-L761 HydrophobicContact CD1-CD2 3.91Å; L745-L761 HydrophobicContact CD1-CG 4.37Å |
| 746 | L | 79.3 | Confident | 81 | Confident | 36 Ų | 36 | 97.6 Ų | 97.6 | 19% | 0.188 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -74.2 | -29.7 | 174.7 | -71.6 | 169.1 | 0 | 0 | 0 | 112.9 | R742 N743 H754 L758 | R742-L746 HydrophobicContact CG-CD1 3.87Å; R742-L746 HydrophobicContact CG-CG 4.49Å; R742-L746 WeakPolarHBondContact O-CB 3.3Å; R742-L746 VanDerWaalsContact O-CG 3.25Å; R742-L746 WeakPolarHBondContact O-CG 3.37Å; R742-L746 PolarHBondContact O-N 3.2Å; N743-L746 PolarHBondContact O-N 2.81Å; L746-H754 HydrophobicContact CD2-CB 3.9Å; L746-H754 PolarHBondContact O-CE1 2.7Å; L746-H754 VanDerWaalsContact O-CE1 3.25Å; L746-H754 PolarHBondContact O-NE2 3.34Å; L746-L758 HydrophobicContact CD1-CD2 4.27Å; L746-L758 HydrophobicContact CD2-CD1 4.26Å; L746-L758 HydrophobicContact CD2-CG 4.17Å |
| 747 | E | 79.4 | Confident | 80.8 | Confident | 151 Ų | 151 | 89.8 Ų | 89.8 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71 | -33.9 | 173.8 | -72.3 | 159.7 | -169.8 | 0 | 0 | 112.1 | N743 H744 | N743-E747 WeakPolarHBondContact O-CG 3.43Å; N743-E747 PolarHBondContact O-N 3.27Å; H744-E747 PolarHBondContact O-N 3.08Å |
| 748 | T | 79.1 | Confident | 80.8 | Confident | 89 Ų | 89 | 87 Ų | 87 | 55% | 0.546 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -93.7 | -16.8 | -176.2 | 48.9 | 0 | 0 | 0 | 0 | 115 | H744 L745 | H744-T748 WeakPolarHBondContact O-CG2 3.45Å; H744-T748 PolarHBondContact O-N 3.33Å; H744-T748 VanDerWaalsContact O-N 3.15Å; H744-T748 PolarHBondContact O-OG1 2.72Å; L745-T748 WeakPolarHBondContact CA-OG1 3.49Å; L745-T748 PolarHBondContact O-OG1 2.71Å |
| 749 | T | 76.7 | Confident | 80.8 | Confident | 29 Ų | 29 | 91.8 Ų | 91.8 | 18% | 0.178 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -101.3 | 144.1 | -176 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | L745 E753 H754 V757 | L745-T749 WeakPolarHBondContact O-CB 3.37Å; L745-T749 PolarHBondContact O-N 3.28Å; L745-T749 VanDerWaalsContact O-N 3.09Å; L745-T749 PolarHBondContact O-OG1 2.92Å; T749-E753 HydrophobicContact CG2-CB 3.83Å; T749-H754 PolarHBondContact O-CD2 3.28Å; T749-H754 PolarHBondContact O-NE2 3.29Å; T749-V757 HydrophobicContact CG2-CG2 4.08Å |
| 750 | P | 76.6 | Confident | 80.8 | Confident | 76 Ų | 76 | 94.5 Ų | 94.5 | 49% | 0.494 | 48% | 0.48 | S | S | . | . | trans | -58.9 | 143.5 | 171.7 | -25.8 | 35.9 | 0 | 0 | 0 | 114.5 | S752 E753 H754 | P750-S752 PolarHBondContact O-N 2.88Å; P750-S752 VanDerWaalsContact O-N 3.09Å; P750-E753 PolarHBondContact O-N 2.73Å; P750-H754 PolarHBondContact O-CD2 2.95Å; P750-H754 PolarHBondContact O-N 3.5Å | ||
| 751 | K | 73.3 | Confident | 80.8 | Confident | 190 Ų | 190 | 92 Ų | 92 | 83% | 0.826 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.9 | -177 | -69.1 | -177.8 | 179.1 | 177 | 0 | 114.5 | E753 | K751-E753 VanDerWaalsContact C-N 3.28Å; K751-E753 PolarHBondContact O-N 3.04Å |
| 752 | S | 78.8 | Confident | 80.8 | Confident | 101 Ų | 101 | 94.6 Ų | 94.6 | 71% | 0.706 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -33.8 | 173.8 | 40.9 | 0 | 0 | 0 | 0 | 113 | P750 | P750-S752 PolarHBondContact O-N 2.88Å; P750-S752 VanDerWaalsContact O-N 3.09Å |
| 753 | E | 81.4 | Confident | 80.8 | Confident | 108 Ų | 108 | 94.8 Ų | 94.8 | 51% | 0.505 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -11.8 | -171.7 | -68.7 | 174.8 | -152 | 0 | 0 | 113.4 | T749 P750 K751 K755 A756 V757 | T749-E753 HydrophobicContact CG2-CB 3.83Å; P750-E753 PolarHBondContact O-N 2.73Å; K751-E753 VanDerWaalsContact C-N 3.28Å; K751-E753 PolarHBondContact O-N 3.04Å; E753-K755 PolarHBondContact O-N 3.42Å; E753-A756 WeakPolarHBondContact O-CB 3.47Å; E753-A756 PolarHBondContact O-N 3.32Å; E753-V757 PolarHBondContact O-N 2.87Å |
| 754 | H | 79.9 | Confident | 80.8 | Confident | 43 Ų | 43 | 94.7 Ų | 94.7 | 20% | 0.199 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -47.7 | -39.1 | 179.6 | -77.7 | -163.5 | 0 | 0 | 0 | 113.3 | L746 T749 P750 L758 | L746-H754 HydrophobicContact CD2-CB 3.9Å; L746-H754 PolarHBondContact O-CE1 2.7Å; L746-H754 VanDerWaalsContact O-CE1 3.25Å; L746-H754 PolarHBondContact O-NE2 3.34Å; T749-H754 PolarHBondContact O-CD2 3.28Å; T749-H754 PolarHBondContact O-NE2 3.29Å; P750-H754 PolarHBondContact O-CD2 2.95Å; P750-H754 PolarHBondContact O-N 3.5Å; H754-L758 VanDerWaalsContact O-CB 3.26Å; H754-L758 WeakPolarHBondContact O-CB 3.44Å; H754-L758 VanDerWaalsContact O-CG 3.27Å; H754-L758 WeakPolarHBondContact O-CG 3.42Å; H754-L758 PolarHBondContact O-N 3.2Å |
| 755 | K | 82.4 | Confident | 80.8 | Confident | 185 Ų | 185 | 91.7 Ų | 91.7 | 80% | 0.804 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66 | -36.4 | 178.7 | -172 | 176.6 | 179.7 | -179.6 | 0 | 112.9 | E753 K759 | E753-K755 PolarHBondContact O-N 3.42Å; K755-K759 PolarHBondContact O-N 3.5Å |
| 756 | A | 81.5 | Confident | 81 | Confident | 65 Ų | 65 | 93.2 Ų | 93.2 | 54% | 0.537 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -75.5 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E753 K759 R760 | E753-A756 WeakPolarHBondContact O-CB 3.47Å; E753-A756 PolarHBondContact O-N 3.32Å; A756-K759 PolarHBondContact O-N 2.92Å; A756-R760 PolarHBondContact O-N 2.89Å |
| 757 | V | 81 | Confident | 81.3 | Confident | 32 Ų | 32 | 100.3 Ų | 100.3 | 19% | 0.194 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | L745 T749 E753 K759 R760 L761 | L745-V757 HydrophobicContact CB-CG1 4.34Å; T749-V757 HydrophobicContact CG2-CG2 4.08Å; E753-V757 PolarHBondContact O-N 2.87Å; V757-K759 VanDerWaalsContact C-N 3.33Å; V757-K759 PolarHBondContact O-N 3.43Å; V757-R760 PolarHBondContact O-N 3.24Å; V757-L761 HydrophobicContact CG1-CD1 3.76Å; V757-L761 HydrophobicContact CG1-CG 4.23Å; V757-L761 VanDerWaalsContact O-CB 3.27Å; V757-L761 WeakPolarHBondContact O-CB 3.29Å; V757-L761 WeakPolarHBondContact O-CG 3.24Å; V757-L761 PolarHBondContact O-N 3.27Å |
| 758 | L | 82.4 | Confident | 81.6 | Confident | 58 Ų | 58 | 97.6 Ų | 97.6 | 30% | 0.304 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -35.9 | 176.3 | -78.7 | 168.8 | 0 | 0 | 0 | 113.5 | R742 L746 H754 K762 | R742-L758 HydrophobicContact CG-CD2 3.96Å; L746-L758 HydrophobicContact CD1-CD2 4.27Å; L746-L758 HydrophobicContact CD2-CD1 4.26Å; L746-L758 HydrophobicContact CD2-CG 4.17Å; H754-L758 VanDerWaalsContact O-CB 3.26Å; H754-L758 WeakPolarHBondContact O-CB 3.44Å; H754-L758 VanDerWaalsContact O-CG 3.27Å; H754-L758 WeakPolarHBondContact O-CG 3.42Å; H754-L758 PolarHBondContact O-N 3.2Å; L758-K762 WeakPolarHBondContact O-CB 3.38Å; L758-K762 PolarHBondContact O-N 3.43Å; L758-K762 VanDerWaalsContact O-N 3.11Å |
| 759 | K | 85.3 | Confident | 81.9 | Confident | 133 Ų | 133 | 95.9 Ų | 95.9 | 58% | 0.578 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65 | -53.6 | 174.2 | 179.7 | -179.4 | 168.5 | -177.5 | 0 | 110.5 | K755 A756 V757 L761 K762 E763 | K755-K759 PolarHBondContact O-N 3.5Å; A756-K759 PolarHBondContact O-N 2.92Å; V757-K759 VanDerWaalsContact C-N 3.33Å; V757-K759 PolarHBondContact O-N 3.43Å; K759-L761 VanDerWaalsContact C-N 3.34Å; K759-L761 PolarHBondContact O-N 3.14Å; K759-K762 PolarHBondContact O-N 2.89Å; K759-K762 VanDerWaalsContact O-N 3.1Å; K759-E763 WeakPolarHBondContact CE-OE1 3.49Å; K759-E763 IonicContact NZ-OE1 3.73Å; K759-E763 WeakPolarHBondContact O-CG 3.5Å; K759-E763 PolarHBondContact O-N 3.27Å |
| 760 | R | 83.7 | Confident | 82.3 | Confident | 190 Ų | 190 | 96.8 Ų | 96.8 | 72% | 0.717 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.1 | -45.1 | -179.2 | -165.4 | -176.6 | -159.4 | 172.7 | 6.6 | 112 | A756 V757 K762 E763 E764 | A756-R760 PolarHBondContact O-N 2.89Å; V757-R760 PolarHBondContact O-N 3.24Å; R760-K762 PolarHBondContact O-N 3.46Å; R760-E763 PolarHBondContact O-N 2.95Å; R760-E764 WeakPolarHBondContact O-CB 3.38Å; R760-E764 PolarHBondContact O-N 2.76Å |
| 761 | L | 82.8 | Confident | 82.9 | Confident | 11 Ų | 11 | 96.7 Ų | 96.7 | 6% | 0.058 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.4 | -80 | 176.3 | 0 | 0 | 0 | 112.1 | Y738 L741 R742 L745 V757 K759 E764 Q765 | Y738-L761 HydrophobicContact CE2-CB 3.76Å; Y738-L761 HydrophobicContact CE2-CD2 4.21Å; Y738-L761 HydrophobicContact CE2-CG 4.49Å; Y738-L761 VanDerWaalsContact CE2-O 3.26Å; Y738-L761 WeakPolarHBondContact CE2-O 3.25Å; Y738-L761 WeakPolarHBondContact OH-CB 3.18Å; Y738-L761 PolarHBondContact OH-O 3.42Å; L741-L761 HydrophobicContact CD2-CD2 4.48Å; R742-L761 HydrophobicContact CB-CD1 4.21Å; R742-L761 HydrophobicContact CG-CD1 4.38Å; L745-L761 HydrophobicContact CD1-CD1 3.95Å; L745-L761 HydrophobicContact CD1-CD2 3.91Å; L745-L761 HydrophobicContact CD1-CG 4.37Å; V757-L761 HydrophobicContact CG1-CD1 3.76Å; V757-L761 HydrophobicContact CG1-CG 4.23Å; V757-L761 VanDerWaalsContact O-CB 3.27Å; V757-L761 WeakPolarHBondContact O-CB 3.29Å; V757-L761 WeakPolarHBondContact O-CG 3.24Å; V757-L761 PolarHBondContact O-N 3.27Å; K759-L761 VanDerWaalsContact C-N 3.34Å; K759-L761 PolarHBondContact O-N 3.14Å; L761-E764 PolarHBondContact O-N 3.47Å; L761-Q765 WeakPolarHBondContact O-CB 3.38Å; L761-Q765 PolarHBondContact O-N 2.99Å |
| 762 | K | 83.1 | Confident | 83.5 | Confident | 137 Ų | 137 | 88.9 Ų | 88.9 | 60% | 0.596 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.5 | -39.3 | 177.8 | -172.4 | -176.3 | 177.7 | -171.9 | 0 | 111.9 | Y738 L758 K759 R760 T766 | Y738-K762 WeakPolarHBondContact OH-CA 3.23Å; Y738-K762 PolarHBondContact OH-N 3.33Å; L758-K762 WeakPolarHBondContact O-CB 3.38Å; L758-K762 PolarHBondContact O-N 3.43Å; L758-K762 VanDerWaalsContact O-N 3.11Å; K759-K762 PolarHBondContact O-N 2.89Å; K759-K762 VanDerWaalsContact O-N 3.1Å; R760-K762 PolarHBondContact O-N 3.46Å; K762-T766 WeakPolarHBondContact O-CB 3.35Å; K762-T766 PolarHBondContact O-N 3.3Å; K762-T766 PolarHBondContact O-OG1 3.43Å |
| 763 | E | 84.2 | Confident | 83.8 | Confident | 107 Ų | 107 | 85.5 Ų | 85.5 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 175.4 | -70.8 | 166.4 | 163.1 | 0 | 0 | 111 | K759 R760 T766 R767 | K759-E763 WeakPolarHBondContact CE-OE1 3.49Å; K759-E763 IonicContact NZ-OE1 3.73Å; K759-E763 WeakPolarHBondContact O-CG 3.5Å; K759-E763 PolarHBondContact O-N 3.27Å; R760-E763 PolarHBondContact O-N 2.95Å; E763-T766 PolarHBondContact O-N 3.5Å; E763-R767 WeakPolarHBondContact O-CB 3.33Å; E763-R767 PolarHBondContact O-N 2.96Å |
| 764 | E | 83.6 | Confident | 84.1 | Confident | 81 Ų | 81 | 86.6 Ų | 86.6 | 38% | 0.379 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 175.9 | -167.5 | -178.3 | 160.1 | 0 | 0 | 112.8 | R760 L761 T766 R767 K768 | R760-E764 WeakPolarHBondContact O-CB 3.38Å; R760-E764 PolarHBondContact O-N 2.76Å; L761-E764 PolarHBondContact O-N 3.47Å; E764-T766 VanDerWaalsContact C-N 3.33Å; E764-T766 PolarHBondContact O-N 3.02Å; E764-R767 PolarHBondContact O-N 3.07Å; E764-K768 HydrophobicContact CG-CD 4.38Å; E764-K768 WeakPolarHBondContact O-CG 3.19Å; E764-K768 PolarHBondContact O-N 3.15Å; E764-K768 WeakPolarHBondContact OE1-CE 3.19Å; E764-K768 IonicContact OE1-NZ 3.72Å; E764-K768 PolarHBondContact OE1-NZ 3.29Å |
| 765 | Q | 81.9 | Confident | 84.5 | Confident | 49 Ų | 49 | 90.3 Ų | 90.3 | 23% | 0.229 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 172.9 | -171.1 | -167.7 | 6.7 | 0 | 0 | 110.9 | Y738 L761 K768 L769 | Y738-Q765 VanDerWaalsContact CD1-CD 3.46Å; Y738-Q765 HydrophobicContact CD1-CG 4.11Å; Y738-Q765 HydrophobicContact CD2-CB 3.95Å; Y738-Q765 HydrophobicContact CD2-CG 4.08Å; Y738-Q765 HydrophobicContact CE1-CB 4.39Å; Y738-Q765 VanDerWaalsContact CE1-CD 3.45Å; Y738-Q765 HydrophobicContact CE1-CG 4.23Å; Y738-Q765 HydrophobicContact CE2-CB 3.71Å; Y738-Q765 HydrophobicContact CE2-CG 4.21Å; Y738-Q765 HydrophobicContact CG-CB 4.39Å; Y738-Q765 HydrophobicContact CG-CG 4.02Å; L761-Q765 WeakPolarHBondContact O-CB 3.38Å; L761-Q765 PolarHBondContact O-N 2.99Å; Q765-K768 PolarHBondContact O-N 2.99Å; Q765-L769 HydrophobicContact CG-CD1 4.12Å; Q765-L769 WeakPolarHBondContact O-CB 3.39Å; Q765-L769 WeakPolarHBondContact O-CG 3.44Å; Q765-L769 PolarHBondContact O-N 3Å |
| 766 | T | 83.8 | Confident | 84.7 | Confident | 86 Ų | 86 | 83.3 Ų | 83.3 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 179.1 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | K762 E763 E764 L769 A770 | K762-T766 WeakPolarHBondContact O-CB 3.35Å; K762-T766 PolarHBondContact O-N 3.3Å; K762-T766 PolarHBondContact O-OG1 3.43Å; E763-T766 PolarHBondContact O-N 3.5Å; E764-T766 VanDerWaalsContact C-N 3.33Å; E764-T766 PolarHBondContact O-N 3.02Å; T766-L769 PolarHBondContact O-N 2.95Å; T766-A770 WeakPolarHBondContact O-CB 3.36Å; T766-A770 PolarHBondContact O-N 2.68Å |
| 767 | R | 87.4 | Confident | 84.9 | Confident | 186 Ų | 186 | 84.1 Ų | 84.1 | 70% | 0.702 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 177.4 | -164.1 | -179.5 | -168.2 | -165.7 | 4.2 | 112.9 | E763 E764 A770 I771 | E763-R767 WeakPolarHBondContact O-CB 3.33Å; E763-R767 PolarHBondContact O-N 2.96Å; E764-R767 PolarHBondContact O-N 3.07Å; R767-A770 PolarHBondContact O-N 3.46Å; R767-I771 HydrophobicContact CG-CD1 4.27Å; R767-I771 WeakPolarHBondContact O-CG1 3.44Å; R767-I771 PolarHBondContact O-N 2.93Å; R767-I771 VanDerWaalsContact O-N 3.09Å |
| 768 | K | 85.4 | Confident | 85.3 | Confident | 94 Ų | 94 | 88.7 Ų | 88.7 | 41% | 0.409 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.6 | -37.2 | 177.9 | -73.4 | 178.6 | -175.9 | 172.6 | 0 | 112.4 | E764 Q765 L772 | E764-K768 HydrophobicContact CG-CD 4.38Å; E764-K768 WeakPolarHBondContact O-CG 3.19Å; E764-K768 PolarHBondContact O-N 3.15Å; E764-K768 WeakPolarHBondContact OE1-CE 3.19Å; E764-K768 IonicContact OE1-NZ 3.72Å; E764-K768 PolarHBondContact OE1-NZ 3.29Å; Q765-K768 PolarHBondContact O-N 2.99Å; K768-L772 WeakPolarHBondContact O-CB 3.37Å; K768-L772 PolarHBondContact O-N 3.33Å |
| 769 | L | 84.1 | Confident | 85.4 | Confident | 53 Ų | 53 | 88.2 Ų | 88.2 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.7 | -35.4 | 174.1 | -71.5 | 171.1 | 0 | 0 | 0 | 112.5 | C731 Q765 T766 L772 A773 | C731-L769 HydrophobicContact CB-CD2 4.49Å; Q765-L769 HydrophobicContact CG-CD1 4.12Å; Q765-L769 WeakPolarHBondContact O-CB 3.39Å; Q765-L769 WeakPolarHBondContact O-CG 3.44Å; Q765-L769 PolarHBondContact O-N 3Å; T766-L769 PolarHBondContact O-N 2.95Å; L769-L772 PolarHBondContact O-N 2.75Å; L769-A773 PolarHBondContact O-N 2.8Å |
| 770 | A | 86.4 | Confident | 85.4 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.2 | -49.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | T766 R767 L772 A773 E774 | T766-A770 WeakPolarHBondContact O-CB 3.36Å; T766-A770 PolarHBondContact O-N 2.68Å; R767-A770 PolarHBondContact O-N 3.46Å; A770-L772 VanDerWaalsContact C-N 3.27Å; A770-L772 PolarHBondContact O-N 3.2Å; A770-A773 WeakPolarHBondContact O-CB 3.43Å; A770-A773 PolarHBondContact O-N 2.98Å; A770-E774 PolarHBondContact O-N 3.17Å |
| 771 | I | 87.9 | Confident | 85.5 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 38% | 0.379 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 176.4 | -66 | 164.1 | 0 | 0 | 0 | 111.1 | R767 A773 E774 Q775 | R767-I771 HydrophobicContact CG-CD1 4.27Å; R767-I771 WeakPolarHBondContact O-CG1 3.44Å; R767-I771 PolarHBondContact O-N 2.93Å; R767-I771 VanDerWaalsContact O-N 3.09Å; I771-A773 VanDerWaalsContact C-N 3.31Å; I771-A773 PolarHBondContact O-N 2.8Å; I771-E774 PolarHBondContact O-N 3.43Å; I771-Q775 WeakPolarHBondContact O-CB 3.44Å; I771-Q775 VanDerWaalsContact O-CG 3.29Å; I771-Q775 WeakPolarHBondContact O-CG 3.21Å; I771-Q775 PolarHBondContact O-N 2.92Å |
| 772 | L | 86.4 | Confident | 85.8 | Confident | 25 Ų | 25 | 83.3 Ų | 83.3 | 13% | 0.131 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.9 | -34.2 | 176.9 | -165.7 | 75.7 | 0 | 0 | 0 | 112.1 | F727 T730 K768 L769 A770 Y776 | F727-L772 HydrophobicContact CD2-CD2 4.11Å; F727-L772 HydrophobicContact CD2-CG 4.04Å; F727-L772 HydrophobicContact CE2-CB 4.24Å; F727-L772 HydrophobicContact CE2-CD2 3.88Å; F727-L772 HydrophobicContact CE2-CG 3.8Å; F727-L772 WeakPolarHBondContact CE2-O 3.24Å; T730-L772 HydrophobicContact CG2-CD1 3.95Å; T730-L772 HydrophobicContact CG2-CD2 3.85Å; K768-L772 WeakPolarHBondContact O-CB 3.37Å; K768-L772 PolarHBondContact O-N 3.33Å; L769-L772 PolarHBondContact O-N 2.75Å; A770-L772 VanDerWaalsContact C-N 3.27Å; A770-L772 PolarHBondContact O-N 3.2Å; L772-Y776 WeakPolarHBondContact O-CB 3.42Å; L772-Y776 PolarHBondContact O-N 3.26Å; L772-Y776 VanDerWaalsContact O-N 3.1Å |
| 773 | A | 84.4 | Confident | 85.9 | Confident | 30 Ų | 30 | 78.3 Ų | 78.3 | 25% | 0.248 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F727 L769 A770 I771 Q775 Y776 D777 | F727-A773 HydrophobicContact CE2-CB 4.42Å; F727-A773 HydrophobicContact CZ-CB 4.2Å; L769-A773 PolarHBondContact O-N 2.8Å; A770-A773 WeakPolarHBondContact O-CB 3.43Å; A770-A773 PolarHBondContact O-N 2.98Å; I771-A773 VanDerWaalsContact C-N 3.31Å; I771-A773 PolarHBondContact O-N 2.8Å; A773-Q775 VanDerWaalsContact C-N 3.31Å; A773-Q775 PolarHBondContact O-N 3.11Å; A773-Y776 WeakPolarHBondContact O-CB 3.41Å; A773-Y776 PolarHBondContact O-N 2.87Å; A773-Y776 VanDerWaalsContact O-N 3.1Å; A773-D777 PolarHBondContact O-N 2.89Å |
| 774 | E | 89.1 | Confident | 85.8 | Confident | 132 Ų | 132 | 76.1 Ų | 76.1 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56.9 | -43.1 | 174 | -70.1 | 171.1 | 174.5 | 0 | 0 | 111.8 | A770 I771 D777 H778 | A770-E774 PolarHBondContact O-N 3.17Å; I771-E774 PolarHBondContact O-N 3.43Å; E774-D777 PolarHBondContact O-N 3.44Å; E774-H778 VanDerWaalsContact O-CB 3.26Å; E774-H778 WeakPolarHBondContact O-CB 3.48Å; E774-H778 PolarHBondContact O-N 2.94Å |
| 775 | Q | 86.8 | Confident | 85.9 | Confident | 121 Ų | 121 | 75.5 Ų | 75.5 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.9 | -38.9 | 175.2 | -74.5 | 174.6 | -15.3 | 0 | 0 | 112.9 | I771 A773 S779 | I771-Q775 WeakPolarHBondContact O-CB 3.44Å; I771-Q775 VanDerWaalsContact O-CG 3.29Å; I771-Q775 WeakPolarHBondContact O-CG 3.21Å; I771-Q775 PolarHBondContact O-N 2.92Å; A773-Q775 VanDerWaalsContact C-N 3.31Å; A773-Q775 PolarHBondContact O-N 3.11Å; Q775-S779 WeakPolarHBondContact O-CB 3.26Å; Q775-S779 PolarHBondContact O-N 3.22Å |
| 776 | Y | 87.5 | Confident | 86.1 | Confident | 37 Ų | 37 | 75.5 Ų | 75.5 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.8 | -44.3 | 177.3 | 151 | -85.9 | 0 | 0 | 0 | 111.9 | I723 K724 F727 L772 A773 S779 I780 | I723-Y776 HydrophobicContact CG2-CD2 3.82Å; I723-Y776 HydrophobicContact CG2-CE2 4.02Å; K724-Y776 HydrophobicContact CB-CE2 4.47Å; K724-Y776 WeakPolarHBondContact CE-OH 3.37Å; K724-Y776 HydrophobicContact CG-CE2 3.74Å; K724-Y776 WeakPolarHBondContact CG-OH 3.32Å; F727-Y776 HydrophobicContact CB-CD2 3.54Å; F727-Y776 HydrophobicContact CB-CE2 4.13Å; F727-Y776 HydrophobicContact CB-CG 4.18Å; F727-Y776 HydrophobicContact CD1-CD2 4.26Å; F727-Y776 HydrophobicContact CD1-CG 4.37Å; F727-Y776 HydrophobicContact CD2-CD2 4.13Å; F727-Y776 AromaticContact CD2-CG 3.87Å; F727-Y776 HydrophobicContact CD2-CG 3.87Å; F727-Y776 HydrophobicContact CE2-CG 4.34Å; F727-Y776 AromaticContact CG-CD2 3.73Å; F727-Y776 HydrophobicContact CG-CD2 3.73Å; F727-Y776 HydrophobicContact CG-CE2 4.37Å; F727-Y776 AromaticContact CG-CG 3.88Å; F727-Y776 HydrophobicContact CG-CG 3.88Å; L772-Y776 WeakPolarHBondContact O-CB 3.42Å; L772-Y776 PolarHBondContact O-N 3.26Å; L772-Y776 VanDerWaalsContact O-N 3.1Å; A773-Y776 WeakPolarHBondContact O-CB 3.41Å; A773-Y776 PolarHBondContact O-N 2.87Å; A773-Y776 VanDerWaalsContact O-N 3.1Å; Y776-S779 PolarHBondContact O-N 2.92Å; Y776-I780 HydrophobicContact CD2-CD1 4.16Å; Y776-I780 HydrophobicContact CE1-CD1 4.11Å; Y776-I780 HydrophobicContact CE2-CD1 3.42Å; Y776-I780 VanDerWaalsContact CE2-CD1 3.42Å; Y776-I780 HydrophobicContact CE2-CG1 4.41Å; Y776-I780 PolarHBondContact O-N 3.48Å; Y776-I780 VanDerWaalsContact OH-CD1 3.27Å; Y776-I780 WeakPolarHBondContact OH-CD1 3.44Å |
| 777 | D | 86.1 | Confident | 86 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 176.8 | -74.9 | -35.1 | 0 | 0 | 0 | 111 | A773 E774 I780 N781 | A773-D777 PolarHBondContact O-N 2.89Å; E774-D777 PolarHBondContact O-N 3.44Å; D777-I780 PolarHBondContact O-N 3.14Å; D777-N781 PolarHBondContact O-N 3.07Å; D777-N781 PolarHBondContact O-ND2 3.46Å |
| 778 | H | 88.6 | Confident | 85.8 | Confident | 129 Ų | 129 | 66.3 Ų | 66.3 | 60% | 0.597 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.3 | -49.3 | 172.4 | -173.7 | 73.2 | 0 | 0 | 0 | 111.5 | E774 I780 N781 E782 | E774-H778 VanDerWaalsContact O-CB 3.26Å; E774-H778 WeakPolarHBondContact O-CB 3.48Å; E774-H778 PolarHBondContact O-N 2.94Å; H778-I780 VanDerWaalsContact C-N 3.31Å; H778-I780 PolarHBondContact O-N 3.27Å; H778-N781 PolarHBondContact O-N 3.4Å; H778-N781 VanDerWaalsContact O-N 3.16Å; H778-E782 WeakPolarHBondContact O-CB 3.47Å; H778-E782 PolarHBondContact O-N 3.45Å |
| 779 | S | 85.8 | Confident | 85.7 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 179.7 | -175.5 | 0 | 0 | 0 | 0 | 113.1 | Q775 Y776 M783 | Q775-S779 WeakPolarHBondContact O-CB 3.26Å; Q775-S779 PolarHBondContact O-N 3.22Å; Y776-S779 PolarHBondContact O-N 2.92Å; S779-M783 WeakPolarHBondContact O-CB 3.24Å; S779-M783 PolarHBondContact O-N 3.08Å |
| 780 | I | 85.3 | Confident | 85.7 | Confident | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.072 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.6 | -46.2 | 173.6 | -74.4 | 177 | 0 | 0 | 0 | 111.3 | E720 I723 Y776 D777 H778 M783 L784 | E720-I780 HydrophobicContact CG-CD1 4.01Å; I723-I780 HydrophobicContact CB-CG1 4.45Å; I723-I780 HydrophobicContact CD1-CG1 4.2Å; I723-I780 HydrophobicContact CG2-CD1 4.23Å; I723-I780 HydrophobicContact CG2-CG1 3.96Å; Y776-I780 HydrophobicContact CD2-CD1 4.16Å; Y776-I780 HydrophobicContact CE1-CD1 4.11Å; Y776-I780 HydrophobicContact CE2-CD1 3.42Å; Y776-I780 VanDerWaalsContact CE2-CD1 3.42Å; Y776-I780 HydrophobicContact CE2-CG1 4.41Å; Y776-I780 PolarHBondContact O-N 3.48Å; Y776-I780 VanDerWaalsContact OH-CD1 3.27Å; Y776-I780 WeakPolarHBondContact OH-CD1 3.44Å; D777-I780 PolarHBondContact O-N 3.14Å; H778-I780 VanDerWaalsContact C-N 3.31Å; H778-I780 PolarHBondContact O-N 3.27Å; I780-M783 PolarHBondContact O-N 3.1Å; I780-L784 HydrophobicContact CG2-CD1 3.7Å; I780-L784 HydrophobicContact CG2-CG 4.22Å; I780-L784 WeakPolarHBondContact O-CB 3.4Å; I780-L784 VanDerWaalsContact O-CG 3.23Å; I780-L784 WeakPolarHBondContact O-CG 3.45Å; I780-L784 PolarHBondContact O-N 2.87Å |
| 781 | N | 85.8 | Confident | 85.6 | Confident | 104 Ų | 104 | 71.1 Ų | 71.1 | 56% | 0.556 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | -179.8 | -75 | -62 | 0 | 0 | 0 | 112.3 | D777 H778 S785 | D777-N781 PolarHBondContact O-N 3.07Å; D777-N781 PolarHBondContact O-ND2 3.46Å; H778-N781 PolarHBondContact O-N 3.4Å; H778-N781 VanDerWaalsContact O-N 3.16Å; N781-S785 VanDerWaalsContact O-CB 3.3Å; N781-S785 WeakPolarHBondContact O-CB 3.22Å; N781-S785 PolarHBondContact O-N 2.75Å |
| 782 | E | 87.6 | Confident | 85.4 | Confident | 112 Ų | 112 | 72 Ų | 72 | 52% | 0.523 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 172.4 | -177.2 | -172.7 | -161.8 | 0 | 0 | 111.4 | H778 T786 | H778-E782 WeakPolarHBondContact O-CB 3.47Å; H778-E782 PolarHBondContact O-N 3.45Å; E782-T786 WeakPolarHBondContact O-CB 3.47Å; E782-T786 PolarHBondContact O-N 2.7Å; E782-T786 PolarHBondContact O-OG1 3.42Å |
| 783 | M | 86.4 | Confident | 85.5 | Confident | 33 Ų | 33 | 77 Ų | 77 | 16% | 0.163 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 179 | -178.2 | -81.1 | -58.6 | 0 | 0 | 112.3 | L716 K719 I723 S779 I780 Q787 | L716-M783 HydrophobicContact CD2-SD 3.72Å; K719-M783 HydrophobicContact CB-CE 4.28Å; K719-M783 HydrophobicContact CB-SD 4.27Å; K719-M783 HydrophobicContact CD-SD 4.1Å; I723-M783 HydrophobicContact CD1-CE 4.15Å; I723-M783 HydrophobicContact CD1-CG 4.47Å; S779-M783 WeakPolarHBondContact O-CB 3.24Å; S779-M783 PolarHBondContact O-N 3.08Å; I780-M783 PolarHBondContact O-N 3.1Å; M783-Q787 VanDerWaalsContact O-CB 3.23Å; M783-Q787 WeakPolarHBondContact O-CB 3.25Å; M783-Q787 PolarHBondContact O-N 3.41Å |
| 784 | L | 82.8 | Confident | 85.5 | Confident | 60 Ų | 60 | 78 Ų | 78 | 31% | 0.314 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.4 | -52.2 | 176.5 | -72.7 | 170.2 | 0 | 0 | 0 | 111.4 | L716 I780 Q787 A788 | L716-L784 HydrophobicContact CB-CD2 4.1Å; L716-L784 HydrophobicContact CD1-CD2 3.87Å; L716-L784 HydrophobicContact CD2-CD2 4.14Å; L716-L784 HydrophobicContact CG-CD2 4.25Å; I780-L784 HydrophobicContact CG2-CD1 3.7Å; I780-L784 HydrophobicContact CG2-CG 4.22Å; I780-L784 WeakPolarHBondContact O-CB 3.4Å; I780-L784 VanDerWaalsContact O-CG 3.23Å; I780-L784 WeakPolarHBondContact O-CG 3.45Å; I780-L784 PolarHBondContact O-N 2.87Å; L784-Q787 PolarHBondContact O-N 3.42Å; L784-A788 PolarHBondContact O-N 2.9Å |
| 785 | S | 83.9 | Confident | 85.5 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 48% | 0.476 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | -179.4 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | N781 Q787 A788 L789 | N781-S785 VanDerWaalsContact O-CB 3.3Å; N781-S785 WeakPolarHBondContact O-CB 3.22Å; N781-S785 PolarHBondContact O-N 2.75Å; S785-Q787 PolarHBondContact O-N 2.91Å; S785-A788 WeakPolarHBondContact O-CB 3.5Å; S785-A788 PolarHBondContact O-N 3.42Å; S785-L789 PolarHBondContact O-N 3.31Å |
| 786 | T | 86 | Confident | 85.6 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.2 | -31.7 | -177.8 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | E782 R790 | E782-T786 WeakPolarHBondContact O-CB 3.47Å; E782-T786 PolarHBondContact O-N 2.7Å; E782-T786 PolarHBondContact O-OG1 3.42Å; T786-R790 VanDerWaalsContact CG2-NH2 3.28Å; T786-R790 VanDerWaalsContact O-CG 3.31Å; T786-R790 WeakPolarHBondContact O-CG 3.46Å; T786-R790 PolarHBondContact O-N 2.85Å |
| 787 | Q | 82.9 | Confident | 85.7 | Confident | 43 Ų | 43 | 72.4 Ų | 72.4 | 20% | 0.201 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -83.9 | -13.6 | 174.7 | -174.3 | 169 | -25.5 | 0 | 0 | 113.3 | Q712 L716 M783 L784 S785 | Q712-Q787 PolarHBondContact NE2-O 2.89Å; L716-Q787 HydrophobicContact CD2-CB 3.94Å; L716-Q787 HydrophobicContact CD2-CG 3.84Å; M783-Q787 VanDerWaalsContact O-CB 3.23Å; M783-Q787 WeakPolarHBondContact O-CB 3.25Å; M783-Q787 PolarHBondContact O-N 3.41Å; L784-Q787 PolarHBondContact O-N 3.42Å; S785-Q787 PolarHBondContact O-N 2.91Å |
| 788 | A | 81.9 | Confident | 85.8 | Confident | 36 Ų | 36 | 72 Ų | 72 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.6 | -59.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L784 S785 R790 L791 D792 | L784-A788 PolarHBondContact O-N 2.9Å; S785-A788 WeakPolarHBondContact O-CB 3.5Å; S785-A788 PolarHBondContact O-N 3.42Å; A788-R790 VanDerWaalsContact C-N 3.34Å; A788-R790 PolarHBondContact O-N 3.3Å; A788-L791 WeakPolarHBondContact O-CA 3.44Å; A788-L791 WeakPolarHBondContact O-CB 3.31Å; A788-L791 PolarHBondContact O-N 3.01Å; A788-D792 PolarHBondContact O-N 3.42Å |
| 789 | L | 84.2 | Confident | 85.9 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -53.2 | -46.3 | -178.2 | -69.6 | 169.1 | 0 | 0 | 0 | 113 | S785 L791 D792 E793 | S785-L789 PolarHBondContact O-N 3.31Å; L789-L791 PolarHBondContact O-N 3.37Å; L789-D792 PolarHBondContact O-N 2.99Å; L789-E793 WeakPolarHBondContact O-CB 3.36Å; L789-E793 WeakPolarHBondContact O-CG 3.49Å; L789-E793 PolarHBondContact O-N 3.23Å |
| 790 | R | 84.9 | Confident | 86.2 | Confident | 168 Ų | 168 | 70.5 Ų | 70.5 | 63% | 0.634 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.9 | -23.1 | 177.1 | -72 | -175.6 | -148.6 | 170.4 | 7.3 | 114.6 | T786 A788 A794 | T786-R790 VanDerWaalsContact CG2-NH2 3.28Å; T786-R790 VanDerWaalsContact O-CG 3.31Å; T786-R790 WeakPolarHBondContact O-CG 3.46Å; T786-R790 PolarHBondContact O-N 2.85Å; A788-R790 VanDerWaalsContact C-N 3.34Å; A788-R790 PolarHBondContact O-N 3.3Å; R790-A794 VanDerWaalsContact O-CB 3.25Å; R790-A794 WeakPolarHBondContact O-CB 3.49Å; R790-A794 PolarHBondContact O-N 3.28Å |
| 791 | L | 84.1 | Confident | 86.5 | Confident | 31 Ų | 31 | 73.2 Ų | 73.2 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -76.4 | -47.2 | 173.7 | -176.6 | 62.8 | 0 | 0 | 0 | 109.5 | E708 V709 Q712 A788 L789 A794 Q795 | E708-L791 HydrophobicContact CB-CD1 4.41Å; V709-L791 HydrophobicContact CG2-CD2 3.98Å; Q712-L791 HydrophobicContact CB-CD2 4.24Å; Q712-L791 HydrophobicContact CG-CD2 4.15Å; A788-L791 WeakPolarHBondContact O-CA 3.44Å; A788-L791 WeakPolarHBondContact O-CB 3.31Å; A788-L791 PolarHBondContact O-N 3.01Å; L789-L791 PolarHBondContact O-N 3.37Å; L791-A794 PolarHBondContact O-N 3.34Å; L791-Q795 HydrophobicContact CD1-CG 4.15Å; L791-Q795 HydrophobicContact CG-CG 4.37Å; L791-Q795 WeakPolarHBondContact O-CB 3.4Å; L791-Q795 VanDerWaalsContact O-CG 3.29Å; L791-Q795 WeakPolarHBondContact O-CG 3.29Å; L791-Q795 PolarHBondContact O-N 3.3Å |
| 792 | D | 83.1 | Confident | 86.7 | Confident | 92 Ų | 92 | 69 Ų | 69 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | -179.9 | -58.5 | -31 | 0 | 0 | 0 | 111.1 | A788 L789 A794 Q795 E796 | A788-D792 PolarHBondContact O-N 3.42Å; L789-D792 PolarHBondContact O-N 2.99Å; D792-A794 PolarHBondContact O-N 2.96Å; D792-Q795 PolarHBondContact O-N 3.45Å; D792-E796 PolarHBondContact O-N 3.02Å |
| 793 | E | 87.6 | Confident | 86.8 | Confident | 130 Ų | 130 | 71.2 Ų | 71.2 | 61% | 0.607 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.9 | -43.8 | 173.6 | -72.5 | 173.1 | 162.1 | 0 | 0 | 112.5 | L789 G797 | L789-E793 WeakPolarHBondContact O-CB 3.36Å; L789-E793 WeakPolarHBondContact O-CG 3.49Å; L789-E793 PolarHBondContact O-N 3.23Å; E793-G797 PolarHBondContact O-N 3.36Å |
| 794 | A | 85.8 | Confident | 87 | Confident | 52 Ų | 52 | 76 Ų | 76 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.8 | -39 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R790 L791 D792 G797 E798 | R790-A794 VanDerWaalsContact O-CB 3.25Å; R790-A794 WeakPolarHBondContact O-CB 3.49Å; R790-A794 PolarHBondContact O-N 3.28Å; L791-A794 PolarHBondContact O-N 3.34Å; D792-A794 PolarHBondContact O-N 2.96Å; A794-G797 PolarHBondContact O-N 2.99Å; A794-E798 WeakPolarHBondContact O-CG 3.49Å; A794-E798 PolarHBondContact O-N 3.46Å |
| 795 | Q | 88.5 | Confident | 87.2 | Confident | 23 Ų | 23 | 77.5 Ų | 77.5 | 11% | 0.107 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.1 | -35.7 | 178.3 | -69.4 | -172.1 | -11.2 | 0 | 0 | 111.9 | H705 E708 L791 D792 C799 | H705-Q795 VanDerWaalsContact CA-NE2 3.32Å; H705-Q795 HydrophobicContact CB-CG 4.29Å; H705-Q795 VanDerWaalsContact CD2-CG 3.46Å; H705-Q795 WeakPolarHBondContact CD2-CG 3.35Å; H705-Q795 PolarHBondContact CE1-O 3.25Å; H705-Q795 VanDerWaalsContact CE1-O 3.23Å; H705-Q795 PolarHBondContact O-NE2 3.42Å; E708-Q795 PolarHBondContact OE2-NE2 3.04Å; L791-Q795 HydrophobicContact CD1-CG 4.15Å; L791-Q795 HydrophobicContact CG-CG 4.37Å; L791-Q795 WeakPolarHBondContact O-CB 3.4Å; L791-Q795 VanDerWaalsContact O-CG 3.29Å; L791-Q795 WeakPolarHBondContact O-CG 3.29Å; L791-Q795 PolarHBondContact O-N 3.3Å; D792-Q795 PolarHBondContact O-N 3.45Å; Q795-C799 PolarHBondContact O-N 3.45Å; Q795-C799 PolarHBondContact O-SG 2.88Å |
| 796 | E | 89.3 | Confident | 87.4 | Confident | 118 Ų | 118 | 74.7 Ų | 74.7 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 169.5 | -173.8 | 172.8 | 178.9 | 0 | 0 | 111.4 | D792 E798 C799 Q800 | D792-E796 PolarHBondContact O-N 3.02Å; E796-E798 PolarHBondContact O-N 2.85Å; E796-C799 WeakPolarHBondContact O-CA 3.45Å; E796-C799 WeakPolarHBondContact O-CB 3.45Å; E796-C799 PolarHBondContact O-N 3.09Å; E796-Q800 HydrophobicContact CG-CG 4.29Å; E796-Q800 WeakPolarHBondContact O-CG 3.49Å; E796-Q800 PolarHBondContact O-N 2.67Å; E796-Q800 PolarHBondContact OE1-NE2 2.78Å |
| 797 | G | 89.6 | Confident | 87.6 | Confident | 31 Ų | 31 | 77 Ų | 77 | 32% | 0.32 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E793 A794 C799 Q800 V801 | E793-G797 PolarHBondContact O-N 3.36Å; A794-G797 PolarHBondContact O-N 2.99Å; G797-C799 VanDerWaalsContact C-N 3.33Å; G797-C799 PolarHBondContact O-N 3.39Å; G797-Q800 PolarHBondContact O-N 2.9Å; G797-V801 WeakPolarHBondContact O-CG2 3.33Å; G797-V801 PolarHBondContact O-N 2.7Å |
| 798 | E | 87.9 | Confident | 87.9 | Confident | 72 Ų | 72 | 81.2 Ų | 81.2 | 34% | 0.336 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 173.2 | -74.3 | -174 | 170.9 | 0 | 0 | 112.7 | L701 K704 H705 A794 E796 L802 | L701-E798 HydrophobicContact CD1-CB 4.2Å; L701-E798 WeakPolarHBondContact CD1-OE2 3.47Å; L701-E798 HydrophobicContact CD2-CB 4.43Å; K704-E798 IonicContact NZ-OE1 3.52Å; K704-E798 PolarHBondContact NZ-OE1 2.85Å; K704-E798 IonicContact NZ-OE2 2.72Å; K704-E798 PolarHBondContact NZ-OE2 3.21Å; H705-E798 IonicContact CD2-OE2 3.58Å; H705-E798 IonicContact CE1-OE2 3.61Å; H705-E798 IonicContact NE2-OE2 3.62Å; H705-E798 PolarHBondContact NE2-OE2 2.86Å; A794-E798 WeakPolarHBondContact O-CG 3.49Å; A794-E798 PolarHBondContact O-N 3.46Å; E796-E798 PolarHBondContact O-N 2.85Å; E798-L802 WeakPolarHBondContact O-CB 3.46Å; E798-L802 PolarHBondContact O-N 2.96Å |
| 799 | C | 90.8 | Very high | 87.9 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 24% | 0.243 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.3 | -72.4 | 0 | 0 | 0 | 0 | 112.4 | L701 Q795 E796 G797 R803 | L701-C799 HydrophobicContact CD2-CB 4.45Å; Q795-C799 PolarHBondContact O-N 3.45Å; Q795-C799 PolarHBondContact O-SG 2.88Å; E796-C799 WeakPolarHBondContact O-CA 3.45Å; E796-C799 WeakPolarHBondContact O-CB 3.45Å; E796-C799 PolarHBondContact O-N 3.09Å; G797-C799 VanDerWaalsContact C-N 3.33Å; G797-C799 PolarHBondContact O-N 3.39Å; C799-R803 WeakPolarHBondContact O-CB 3.42Å; C799-R803 WeakPolarHBondContact O-CG 3.39Å; C799-R803 PolarHBondContact O-N 3.22Å |
| 800 | Q | 91.3 | Very high | 88.1 | Confident | 110 Ų | 110 | 78.4 Ų | 78.4 | 51% | 0.514 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 178.4 | -67.7 | -177.6 | 14.7 | 0 | 0 | 111.1 | E796 G797 R803 M804 | E796-Q800 HydrophobicContact CG-CG 4.29Å; E796-Q800 WeakPolarHBondContact O-CG 3.49Å; E796-Q800 PolarHBondContact O-N 2.67Å; E796-Q800 PolarHBondContact OE1-NE2 2.78Å; G797-Q800 PolarHBondContact O-N 2.9Å; Q800-R803 PolarHBondContact O-N 3.38Å; Q800-M804 PolarHBondContact O-N 2.92Å |
| 801 | V | 91.6 | Very high | 88.2 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 44% | 0.436 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | G797 R803 M804 Q805 | G797-V801 WeakPolarHBondContact O-CG2 3.33Å; G797-V801 PolarHBondContact O-N 2.7Å; V801-R803 PolarHBondContact O-N 3.17Å; V801-M804 PolarHBondContact O-N 3.45Å; V801-Q805 WeakPolarHBondContact O-CG 3.48Å; V801-Q805 PolarHBondContact O-N 3.04Å |
| 802 | L | 89.6 | Confident | 88.1 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 178.4 | -178.9 | 63.6 | 0 | 0 | 0 | 111.8 | R697 L701 E798 M804 Q805 L806 | R697-L802 HydrophobicContact CB-CD1 4.37Å; R697-L802 HydrophobicContact CB-CD2 4.41Å; L701-L802 HydrophobicContact CB-CD2 3.84Å; L701-L802 HydrophobicContact CD2-CB 4.02Å; L701-L802 HydrophobicContact CD2-CD2 3.58Å; L701-L802 HydrophobicContact CD2-CG 4.44Å; L701-L802 HydrophobicContact CG-CD2 4.3Å; E798-L802 WeakPolarHBondContact O-CB 3.46Å; E798-L802 PolarHBondContact O-N 2.96Å; L802-M804 VanDerWaalsContact C-N 3.32Å; L802-M804 PolarHBondContact O-N 2.98Å; L802-Q805 PolarHBondContact O-N 3.01Å; L802-L806 HydrophobicContact CD1-CD1 3.98Å; L802-L806 HydrophobicContact CD1-CD2 4.33Å; L802-L806 HydrophobicContact CD1-CG 3.92Å; L802-L806 HydrophobicContact CD2-CD1 4.31Å; L802-L806 HydrophobicContact CG-CD1 3.81Å; L802-L806 HydrophobicContact CG-CG 4.17Å; L802-L806 WeakPolarHBondContact O-CB 3.29Å; L802-L806 VanDerWaalsContact O-CG 3.29Å; L802-L806 WeakPolarHBondContact O-CG 3.31Å; L802-L806 PolarHBondContact O-N 2.88Å |
| 803 | R | 90.8 | Very high | 88.1 | Confident | 159 Ų | 159 | 73.9 Ų | 73.9 | 60% | 0.6 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.1 | -43.8 | 175.8 | -77.2 | 177.5 | -174.8 | 162.7 | 6.4 | 111.9 | C799 Q800 V801 L806 Q807 | C799-R803 WeakPolarHBondContact O-CB 3.42Å; C799-R803 WeakPolarHBondContact O-CG 3.39Å; C799-R803 PolarHBondContact O-N 3.22Å; Q800-R803 PolarHBondContact O-N 3.38Å; V801-R803 PolarHBondContact O-N 3.17Å; R803-L806 PolarHBondContact O-N 2.77Å; R803-Q807 VanDerWaalsContact O-CB 3.29Å; R803-Q807 WeakPolarHBondContact O-CB 3.32Å; R803-Q807 PolarHBondContact O-N 2.68Å |
| 804 | M | 90.7 | Very high | 88.1 | Confident | 134 Ų | 134 | 71 Ų | 71 | 66% | 0.66 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | 178.8 | -168.8 | 172.2 | 68.5 | 0 | 0 | 111.9 | Q800 V801 L802 Q808 | Q800-M804 PolarHBondContact O-N 2.92Å; V801-M804 PolarHBondContact O-N 3.45Å; L802-M804 VanDerWaalsContact C-N 3.32Å; L802-M804 PolarHBondContact O-N 2.98Å; M804-Q808 WeakPolarHBondContact O-CB 3.41Å; M804-Q808 PolarHBondContact O-N 3.49Å |
| 805 | Q | 86.5 | Confident | 87.9 | Confident | 92 Ų | 92 | 71.3 Ų | 71.3 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -50.4 | 174.1 | -71.8 | 172.3 | -11.6 | 0 | 0 | 112.1 | V801 L802 Q807 Q808 E809 | V801-Q805 WeakPolarHBondContact O-CG 3.48Å; V801-Q805 PolarHBondContact O-N 3.04Å; L802-Q805 PolarHBondContact O-N 3.01Å; Q805-Q807 VanDerWaalsContact C-N 3.27Å; Q805-Q807 PolarHBondContact O-N 3.33Å; Q805-Q808 PolarHBondContact O-N 3.4Å; Q805-Q808 VanDerWaalsContact O-N 3.15Å; Q805-E809 PolarHBondContact O-N 2.68Å |
| 806 | L | 88.8 | Confident | 87.4 | Confident | 8 Ų | 8 | 73.1 Ų | 73.1 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.7 | -26.9 | -179 | -64.8 | 177.2 | 0 | 0 | 0 | 113.2 | Y693 N694 R697 L802 R803 L810 | Y693-L806 HydrophobicContact CD1-CD2 4.29Å; Y693-L806 HydrophobicContact CE1-CD2 3.77Å; N694-L806 HydrophobicContact CB-CD1 4.16Å; N694-L806 PolarHBondContact ND2-O 2.95Å; R697-L806 HydrophobicContact CB-CD1 4.15Å; R697-L806 HydrophobicContact CB-CD2 4.17Å; R697-L806 HydrophobicContact CG-CD2 4.19Å; L802-L806 HydrophobicContact CD1-CD1 3.98Å; L802-L806 HydrophobicContact CD1-CD2 4.33Å; L802-L806 HydrophobicContact CD1-CG 3.92Å; L802-L806 HydrophobicContact CD2-CD1 4.31Å; L802-L806 HydrophobicContact CG-CD1 3.81Å; L802-L806 HydrophobicContact CG-CG 4.17Å; L802-L806 WeakPolarHBondContact O-CB 3.29Å; L802-L806 VanDerWaalsContact O-CG 3.29Å; L802-L806 WeakPolarHBondContact O-CG 3.31Å; L802-L806 PolarHBondContact O-N 2.88Å; R803-L806 PolarHBondContact O-N 2.77Å; L806-L810 WeakPolarHBondContact O-CB 3.46Å; L806-L810 PolarHBondContact O-N 2.95Å |
| 807 | Q | 90.8 | Very high | 87.3 | Confident | 97 Ų | 97 | 68.5 Ų | 68.5 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.7 | -45.6 | 170.5 | 179.3 | 62.2 | 24.5 | 0 | 0 | 111.2 | R803 Q805 E809 L810 E811 | R803-Q807 VanDerWaalsContact O-CB 3.29Å; R803-Q807 WeakPolarHBondContact O-CB 3.32Å; R803-Q807 PolarHBondContact O-N 2.68Å; Q805-Q807 VanDerWaalsContact C-N 3.27Å; Q805-Q807 PolarHBondContact O-N 3.33Å; Q807-E809 VanDerWaalsContact C-N 3.35Å; Q807-E809 PolarHBondContact O-N 3.23Å; Q807-L810 PolarHBondContact O-N 3.4Å; Q807-L810 VanDerWaalsContact O-N 3.14Å; Q807-E811 WeakPolarHBondContact CG-OE1 3.42Å; Q807-E811 PolarHBondContact NE2-OE1 3.29Å; Q807-E811 WeakPolarHBondContact O-CG 3.45Å; Q807-E811 PolarHBondContact O-N 2.89Å |
| 808 | Q | 88.1 | Confident | 87.2 | Confident | 133 Ų | 133 | 70.8 Ų | 70.8 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.1 | -38.5 | 177.7 | -170 | 178.3 | 16.7 | 0 | 0 | 112.3 | M804 Q805 E811 L812 | M804-Q808 WeakPolarHBondContact O-CB 3.41Å; M804-Q808 PolarHBondContact O-N 3.49Å; Q805-Q808 PolarHBondContact O-N 3.4Å; Q805-Q808 VanDerWaalsContact O-N 3.15Å; Q808-E811 PolarHBondContact O-N 2.69Å; Q808-L812 WeakPolarHBondContact O-CB 3.35Å; Q808-L812 PolarHBondContact O-N 3.38Å |
| 809 | E | 82.7 | Confident | 87 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 171.6 | -73.4 | -174.9 | -151.1 | 0 | 0 | 112.1 | Q690 Y693 Q805 Q807 L812 L813 | Q690-E809 PolarHBondContact NE2-OE2 2.72Å; Y693-E809 WeakPolarHBondContact CE1-OE2 3.4Å; Q805-E809 PolarHBondContact O-N 2.68Å; Q807-E809 VanDerWaalsContact C-N 3.35Å; Q807-E809 PolarHBondContact O-N 3.23Å; E809-L812 PolarHBondContact O-N 3.01Å; E809-L813 PolarHBondContact O-N 2.95Å |
| 810 | L | 87.3 | Confident | 86.5 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.4 | -38 | 179.1 | -179.5 | 61.2 | 0 | 0 | 0 | 112.4 | L687 Q690 L806 Q807 L813 N814 | L687-L810 HydrophobicContact CD1-CD1 3.67Å; Q690-L810 HydrophobicContact CG-CD1 4.35Å; L806-L810 WeakPolarHBondContact O-CB 3.46Å; L806-L810 PolarHBondContact O-N 2.95Å; Q807-L810 PolarHBondContact O-N 3.4Å; Q807-L810 VanDerWaalsContact O-N 3.14Å; L810-L813 PolarHBondContact O-N 2.87Å; L810-N814 VanDerWaalsContact O-CG 3.28Å; L810-N814 PolarHBondContact O-N 2.96Å; L810-N814 PolarHBondContact O-ND2 2.94Å; L810-N814 VanDerWaalsContact O-ND2 3.15Å |
| 811 | E | 88.1 | Confident | 86.4 | Confident | 106 Ų | 106 | 71 Ų | 71 | 50% | 0.495 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 173.8 | -74.3 | 172.1 | -167.5 | 0 | 0 | 111.8 | Q807 Q808 N814 A815 | Q807-E811 WeakPolarHBondContact CG-OE1 3.42Å; Q807-E811 PolarHBondContact NE2-OE1 3.29Å; Q807-E811 WeakPolarHBondContact O-CG 3.45Å; Q807-E811 PolarHBondContact O-N 2.89Å; Q808-E811 PolarHBondContact O-N 2.69Å; E811-N814 PolarHBondContact O-N 3.41Å; E811-A815 WeakPolarHBondContact O-CB 3.29Å; E811-A815 PolarHBondContact O-N 3.1Å |
| 812 | L | 81.5 | Confident | 86.2 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 34% | 0.34 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 173.3 | -176.1 | 63.8 | 0 | 0 | 0 | 111.9 | M228 Q808 E809 A815 Y816 | M228-L812 HydrophobicContact CE-CD2 4.29Å; Q808-L812 WeakPolarHBondContact O-CB 3.35Å; Q808-L812 PolarHBondContact O-N 3.38Å; E809-L812 PolarHBondContact O-N 3.01Å; L812-A815 PolarHBondContact O-N 2.86Å; L812-Y816 WeakPolarHBondContact O-CB 3.39Å; L812-Y816 PolarHBondContact O-N 2.87Å |
| 813 | L | 82.8 | Confident | 85.8 | Confident | 25 Ų | 25 | 78.1 Ų | 78.1 | 13% | 0.131 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 174.1 | 179.7 | 62.9 | 0 | 0 | 0 | 111.9 | E686 Q690 E809 L810 A815 Y816 Q817 | E686-L813 HydrophobicContact CB-CD1 4.21Å; Q690-L813 HydrophobicContact CB-CD2 3.72Å; Q690-L813 HydrophobicContact CG-CD2 4.12Å; E809-L813 PolarHBondContact O-N 2.95Å; L810-L813 PolarHBondContact O-N 2.87Å; L813-A815 VanDerWaalsContact C-N 3.31Å; L813-A815 PolarHBondContact O-N 3.2Å; L813-Y816 HydrophobicContact CD1-CD1 4.13Å; L813-Y816 WeakPolarHBondContact O-CB 3.41Å; L813-Y816 PolarHBondContact O-N 3.07Å; L813-Q817 HydrophobicContact CD1-CG 4.39Å; L813-Q817 WeakPolarHBondContact O-CG 3.46Å; L813-Q817 PolarHBondContact O-N 3.03Å |
| 814 | N | 86.7 | Confident | 85.5 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 177.5 | -70.4 | -34.2 | 0 | 0 | 0 | 112.1 | L810 E811 S818 | L810-N814 VanDerWaalsContact O-CG 3.28Å; L810-N814 PolarHBondContact O-N 2.96Å; L810-N814 PolarHBondContact O-ND2 2.94Å; L810-N814 VanDerWaalsContact O-ND2 3.15Å; E811-N814 PolarHBondContact O-N 3.41Å; N814-S818 WeakPolarHBondContact O-CB 3.23Å; N814-S818 PolarHBondContact O-N 3.25Å; N814-S818 PolarHBondContact O-OG 2.95Å |
| 815 | A | 83.1 | Confident | 85.4 | Confident | 57 Ų | 57 | 68.6 Ų | 68.6 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | E811 L812 L813 S818 K819 | E811-A815 WeakPolarHBondContact O-CB 3.29Å; E811-A815 PolarHBondContact O-N 3.1Å; L812-A815 PolarHBondContact O-N 2.86Å; L813-A815 VanDerWaalsContact C-N 3.31Å; L813-A815 PolarHBondContact O-N 3.2Å; A815-S818 PolarHBondContact O-N 3.09Å; A815-K819 WeakPolarHBondContact O-CB 3.17Å; A815-K819 PolarHBondContact O-N 2.93Å |
| 816 | Y | 78 | Confident | 85.5 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 24% | 0.239 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.3 | -50 | 174.3 | 167 | -118.9 | 0 | 0 | 0 | 112.5 | Y235 L812 L813 S818 K819 I820 | Y235-Y816 AromaticContact CD2-CD2 3.54Å; Y235-Y816 HydrophobicContact CD2-CD2 3.54Å; Y235-Y816 AromaticContact CD2-CE2 3.39Å; Y235-Y816 HydrophobicContact CD2-CE2 3.39Å; Y235-Y816 HydrophobicContact CD2-CG 4.35Å; Y235-Y816 AromaticContact CE2-CD2 3.1Å; Y235-Y816 HydrophobicContact CE2-CD2 3.1Å; Y235-Y816 AromaticContact CE2-CE2 3.35Å; Y235-Y816 HydrophobicContact CE2-CE2 3.35Å; Y235-Y816 HydrophobicContact CE2-CG 4.07Å; Y235-Y816 AromaticContact CZ-CD2 3.83Å; L812-Y816 WeakPolarHBondContact O-CB 3.39Å; L812-Y816 PolarHBondContact O-N 2.87Å; L813-Y816 HydrophobicContact CD1-CD1 4.13Å; L813-Y816 WeakPolarHBondContact O-CB 3.41Å; L813-Y816 PolarHBondContact O-N 3.07Å; Y816-S818 VanDerWaalsContact C-N 3.28Å; Y816-S818 PolarHBondContact O-N 3.38Å; Y816-K819 WeakPolarHBondContact O-CB 3.32Å; Y816-K819 PolarHBondContact O-N 3.17Å; Y816-K819 VanDerWaalsContact O-N 3.1Å; Y816-I820 HydrophobicContact CD1-CD1 4.49Å; Y816-I820 HydrophobicContact CD2-CD1 4.13Å; Y816-I820 HydrophobicContact CD2-CG1 4.29Å; Y816-I820 HydrophobicContact CE1-CD1 3.85Å; Y816-I820 HydrophobicContact CE2-CD1 3.44Å; Y816-I820 VanDerWaalsContact CE2-CD1 3.44Å; Y816-I820 HydrophobicContact CE2-CG1 3.93Å; Y816-I820 PolarHBondContact O-N 3.14Å; Y816-I820 WeakPolarHBondContact OH-CD1 2.89Å |
| 817 | Q | 86.9 | Confident | 85.4 | Confident | 22 Ų | 22 | 70.7 Ų | 70.7 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62 | -37 | 178 | -68.4 | -174.6 | -5.3 | 0 | 0 | 112 | H683 E686 L813 K821 | H683-Q817 VanDerWaalsContact CA-NE2 3.31Å; H683-Q817 HydrophobicContact CB-CG 4.16Å; H683-Q817 PolarHBondContact CE1-O 3Å; H683-Q817 PolarHBondContact O-NE2 3.36Å; E686-Q817 PolarHBondContact OE2-NE2 3.42Å; L813-Q817 HydrophobicContact CD1-CG 4.39Å; L813-Q817 WeakPolarHBondContact O-CG 3.46Å; L813-Q817 PolarHBondContact O-N 3.03Å; Q817-K821 WeakPolarHBondContact O-CB 3.17Å; Q817-K821 PolarHBondContact O-N 3.05Å |
| 818 | S | 88.2 | Confident | 85.5 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 173.2 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | N814 A815 Y816 K821 M822 | N814-S818 WeakPolarHBondContact O-CB 3.23Å; N814-S818 PolarHBondContact O-N 3.25Å; N814-S818 PolarHBondContact O-OG 2.95Å; A815-S818 PolarHBondContact O-N 3.09Å; Y816-S818 VanDerWaalsContact C-N 3.28Å; Y816-S818 PolarHBondContact O-N 3.38Å; S818-K821 PolarHBondContact O-N 3.35Å; S818-M822 WeakPolarHBondContact O-CB 3.44Å; S818-M822 PolarHBondContact O-N 3.39Å |
| 819 | K | 82.8 | Confident | 85.7 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 30% | 0.3 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 175.8 | -171.3 | -170.8 | -177.4 | -173 | 0 | 111.7 | A815 Y816 K821 M822 Q823 | A815-K819 WeakPolarHBondContact O-CB 3.17Å; A815-K819 PolarHBondContact O-N 2.93Å; Y816-K819 WeakPolarHBondContact O-CB 3.32Å; Y816-K819 PolarHBondContact O-N 3.17Å; Y816-K819 VanDerWaalsContact O-N 3.1Å; K819-K821 VanDerWaalsContact C-N 3.34Å; K819-K821 PolarHBondContact O-N 3.09Å; K819-M822 PolarHBondContact O-N 3.41Å; K819-Q823 WeakPolarHBondContact O-CB 3.37Å; K819-Q823 WeakPolarHBondContact O-CG 3.4Å; K819-Q823 PolarHBondContact O-N 3.44Å |
| 820 | I | 79.8 | Confident | 86.1 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 175.8 | -78.1 | -177.8 | 0 | 0 | 0 | 110.7 | I679 Y816 M822 Q823 T824 | I679-I820 HydrophobicContact CG2-CG2 4.02Å; Y816-I820 HydrophobicContact CD1-CD1 4.49Å; Y816-I820 HydrophobicContact CD2-CD1 4.13Å; Y816-I820 HydrophobicContact CD2-CG1 4.29Å; Y816-I820 HydrophobicContact CE1-CD1 3.85Å; Y816-I820 HydrophobicContact CE2-CD1 3.44Å; Y816-I820 VanDerWaalsContact CE2-CD1 3.44Å; Y816-I820 HydrophobicContact CE2-CG1 3.93Å; Y816-I820 PolarHBondContact O-N 3.14Å; Y816-I820 WeakPolarHBondContact OH-CD1 2.89Å; I820-M822 PolarHBondContact O-N 2.95Å; I820-Q823 PolarHBondContact O-N 3.2Å; I820-T824 WeakPolarHBondContact O-CB 3.29Å; I820-T824 PolarHBondContact O-N 3.08Å; I820-T824 PolarHBondContact O-OG1 3.27Å |
| 821 | K | 88.6 | Confident | 86.4 | Confident | 125 Ų | 125 | 66.8 Ų | 66.8 | 54% | 0.543 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 179.3 | -171.6 | -165.8 | 169.3 | -163.4 | 0 | 110.8 | Q817 S818 K819 Q823 T824 D825 | Q817-K821 WeakPolarHBondContact O-CB 3.17Å; Q817-K821 PolarHBondContact O-N 3.05Å; S818-K821 PolarHBondContact O-N 3.35Å; K819-K821 VanDerWaalsContact C-N 3.34Å; K819-K821 PolarHBondContact O-N 3.09Å; K821-Q823 VanDerWaalsContact C-N 3.35Å; K821-Q823 PolarHBondContact O-N 3.09Å; K821-T824 WeakPolarHBondContact O-CB 3.32Å; K821-T824 PolarHBondContact O-N 3.3Å; K821-T824 VanDerWaalsContact O-N 3.14Å; K821-D825 VanDerWaalsContact CE-OD2 3.29Å; K821-D825 WeakPolarHBondContact CE-OD2 3.25Å; K821-D825 PolarHBondContact O-N 3Å |
| 822 | M | 87.4 | Confident | 86.7 | Confident | 132 Ų | 132 | 66 Ų | 66 | 65% | 0.65 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 179.6 | -174.7 | 179.5 | 68.7 | 0 | 0 | 112.9 | S818 K819 I820 A826 | S818-M822 WeakPolarHBondContact O-CB 3.44Å; S818-M822 PolarHBondContact O-N 3.39Å; K819-M822 PolarHBondContact O-N 3.41Å; I820-M822 PolarHBondContact O-N 2.95Å; M822-A826 VanDerWaalsContact O-CB 3.28Å; M822-A826 WeakPolarHBondContact O-CB 3.45Å; M822-A826 PolarHBondContact O-N 2.88Å |
| 823 | Q | 82.9 | Confident | 87.4 | Confident | 103 Ų | 103 | 69.2 Ų | 69.2 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 174.8 | -73.3 | 177.7 | -50 | 0 | 0 | 112 | K819 I820 K821 Q827 | K819-Q823 WeakPolarHBondContact O-CB 3.37Å; K819-Q823 WeakPolarHBondContact O-CG 3.4Å; K819-Q823 PolarHBondContact O-N 3.44Å; I820-Q823 PolarHBondContact O-N 3.2Å; K821-Q823 VanDerWaalsContact C-N 3.35Å; K821-Q823 PolarHBondContact O-N 3.09Å; Q823-Q827 WeakPolarHBondContact O-CB 3.47Å; Q823-Q827 PolarHBondContact O-N 3.23Å |
| 824 | T | 83.3 | Confident | 87.9 | Confident | 27 Ų | 27 | 70.7 Ų | 70.7 | 17% | 0.166 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.9 | -46.4 | 177.2 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | I679 I820 K821 A826 Q827 H828 | I679-T824 HydrophobicContact CD1-CG2 3.63Å; I679-T824 WeakPolarHBondContact CD1-OG1 3.39Å; I820-T824 WeakPolarHBondContact O-CB 3.29Å; I820-T824 PolarHBondContact O-N 3.08Å; I820-T824 PolarHBondContact O-OG1 3.27Å; K821-T824 WeakPolarHBondContact O-CB 3.32Å; K821-T824 PolarHBondContact O-N 3.3Å; K821-T824 VanDerWaalsContact O-N 3.14Å; T824-A826 VanDerWaalsContact C-N 3.33Å; T824-A826 PolarHBondContact O-N 2.83Å; T824-Q827 PolarHBondContact O-N 3.34Å; T824-H828 WeakPolarHBondContact O-CB 3.5Å; T824-H828 VanDerWaalsContact O-CG 3.23Å; T824-H828 PolarHBondContact O-N 3.18Å |
| 825 | D | 89.8 | Confident | 88.4 | Confident | 67 Ų | 67 | 67.7 Ų | 67.7 | 36% | 0.358 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 177.3 | -68.8 | -24.8 | 0 | 0 | 0 | 110.7 | K821 H828 D829 | K821-D825 VanDerWaalsContact CE-OD2 3.29Å; K821-D825 WeakPolarHBondContact CE-OD2 3.25Å; K821-D825 PolarHBondContact O-N 3Å; D825-H828 PolarHBondContact O-N 3.24Å; D825-D829 PolarHBondContact O-N 2.9Å |
| 826 | A | 88.1 | Confident | 89 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 46% | 0.463 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | M822 T824 K830 | M822-A826 VanDerWaalsContact O-CB 3.28Å; M822-A826 WeakPolarHBondContact O-CB 3.45Å; M822-A826 PolarHBondContact O-N 2.88Å; T824-A826 VanDerWaalsContact C-N 3.33Å; T824-A826 PolarHBondContact O-N 2.83Å; A826-K830 PolarHBondContact O-N 3.35Å |
| 827 | Q | 85.8 | Confident | 89.9 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | 172.3 | 172 | 62.1 | 15 | 0 | 0 | 111 | Q823 T824 D829 K830 E831 | Q823-Q827 WeakPolarHBondContact O-CB 3.47Å; Q823-Q827 PolarHBondContact O-N 3.23Å; T824-Q827 PolarHBondContact O-N 3.34Å; Q827-D829 VanDerWaalsContact C-N 3.33Å; Q827-D829 PolarHBondContact O-N 2.89Å; Q827-K830 WeakPolarHBondContact O-CB 3.36Å; Q827-K830 PolarHBondContact O-N 3.18Å; Q827-K830 VanDerWaalsContact O-N 3.1Å; Q827-E831 HydrophobicContact CG-CG 4.41Å; Q827-E831 PolarHBondContact NE2-OE1 2.93Å; Q827-E831 WeakPolarHBondContact O-CG 3.36Å; Q827-E831 PolarHBondContact O-N 3.13Å |
| 828 | H | 93.1 | Very high | 90.4 | Very high | 13 Ų | 13 | 78.7 Ų | 78.7 | 6% | 0.06 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 176.9 | -71.6 | 168.9 | 0 | 0 | 0 | 112.3 | Q672 T824 D825 K830 E831 R832 | Q672-H828 HydrophobicContact CG-CB 4.29Å; Q672-H828 VanDerWaalsContact CG-CD2 3.44Å; Q672-H828 WeakPolarHBondContact CG-CD2 3.28Å; Q672-H828 PolarHBondContact NE2-O 3.25Å; Q672-H828 PolarHBondContact O-CE1 3.3Å; Q672-H828 VanDerWaalsContact O-CE1 3.3Å; T824-H828 WeakPolarHBondContact O-CB 3.5Å; T824-H828 VanDerWaalsContact O-CG 3.23Å; T824-H828 PolarHBondContact O-N 3.18Å; D825-H828 PolarHBondContact O-N 3.24Å; H828-K830 VanDerWaalsContact C-N 3.33Å; H828-E831 IonicContact CD2-OE2 2.76Å; H828-R832 WeakPolarHBondContact O-CB 3.35Å; H828-R832 PolarHBondContact O-N 2.88Å |
| 829 | D | 92.1 | Very high | 90.8 | Very high | 70 Ų | 70 | 75.2 Ų | 75.2 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71 | -27.5 | 175.4 | -77.7 | -10.5 | 0 | 0 | 0 | 112.7 | D825 Q827 R832 R833 | D825-D829 PolarHBondContact O-N 2.9Å; Q827-D829 VanDerWaalsContact C-N 3.33Å; Q827-D829 PolarHBondContact O-N 2.89Å; D829-R832 IonicContact OD1-CZ 2.74Å; D829-R832 IonicContact OD1-NH1 2.67Å; D829-R832 PolarHBondContact OD1-NH1 3.33Å; D829-R832 IonicContact OD1-NH2 2.81Å; D829-R832 PolarHBondContact OD1-NH2 3.28Å; D829-R833 WeakPolarHBondContact O-CG 3.41Å; D829-R833 PolarHBondContact O-N 3.09Å; D829-R833 PolarHBondContact O-NE 3.08Å; D829-R833 PolarHBondContact O-NH2 3.48Å |
| 830 | K | 92.6 | Very high | 91.4 | Very high | 108 Ų | 108 | 75.6 Ų | 75.6 | 47% | 0.47 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.1 | -53.2 | 171.3 | -173.1 | -164.8 | 170.5 | -167.2 | 0 | 110.6 | A826 Q827 H828 R832 R833 D834 | A826-K830 PolarHBondContact O-N 3.35Å; Q827-K830 WeakPolarHBondContact O-CB 3.36Å; Q827-K830 PolarHBondContact O-N 3.18Å; Q827-K830 VanDerWaalsContact O-N 3.1Å; H828-K830 VanDerWaalsContact C-N 3.33Å; K830-R832 PolarHBondContact O-N 3.42Å; K830-R833 PolarHBondContact O-N 3.44Å; K830-D834 VanDerWaalsContact CE-OD2 3.32Å; K830-D834 WeakPolarHBondContact CE-OD2 3.35Å; K830-D834 VanDerWaalsContact O-CG 3.31Å; K830-D834 PolarHBondContact O-N 3.32Å |
| 831 | E | 93 | Very high | 92.3 | Very high | 32 Ų | 32 | 79.5 Ų | 79.5 | 15% | 0.15 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -53.8 | -38.6 | 177.9 | -70.7 | 170 | 167.5 | 0 | 0 | 112.2 | L668 Q672 R675 Q827 H828 L835 | L668-E831 HydrophobicContact CD1-CB 4.06Å; L668-E831 HydrophobicContact CD2-CB 4.42Å; Q672-E831 PolarHBondContact NE2-OE2 2.85Å; R675-E831 IonicContact CZ-OE1 3.56Å; R675-E831 IonicContact NH1-OE1 2.82Å; R675-E831 PolarHBondContact NH1-OE1 3.31Å; R675-E831 IonicContact NH1-OE2 3.58Å; Q827-E831 HydrophobicContact CG-CG 4.41Å; Q827-E831 PolarHBondContact NE2-OE1 2.93Å; Q827-E831 WeakPolarHBondContact O-CG 3.36Å; Q827-E831 PolarHBondContact O-N 3.13Å; H828-E831 IonicContact CD2-OE2 2.76Å; E831-L835 WeakPolarHBondContact O-CB 3.37Å; E831-L835 PolarHBondContact O-N 2.91Å |
| 832 | R | 94.8 | Very high | 92.7 | Very high | 90 Ų | 90 | 77.3 Ų | 77.3 | 34% | 0.34 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65 | -49.1 | 175.9 | -164.8 | -177.1 | -55 | 115.8 | 19.8 | 111.9 | F665 L668 H828 D829 K830 L835 E836 | F665-R832 HydrophobicContact CE1-CG 4.4Å; L668-R832 HydrophobicContact CD2-CB 4.47Å; H828-R832 WeakPolarHBondContact O-CB 3.35Å; H828-R832 PolarHBondContact O-N 2.88Å; D829-R832 IonicContact OD1-CZ 2.74Å; D829-R832 IonicContact OD1-NH1 2.67Å; D829-R832 PolarHBondContact OD1-NH1 3.33Å; D829-R832 IonicContact OD1-NH2 2.81Å; D829-R832 PolarHBondContact OD1-NH2 3.28Å; K830-R832 PolarHBondContact O-N 3.42Å; R832-L835 PolarHBondContact O-N 3Å; R832-E836 WeakPolarHBondContact CG-OE1 3.17Å; R832-E836 WeakPolarHBondContact O-CB 3.39Å; R832-E836 VanDerWaalsContact O-CG 3.26Å; R832-E836 WeakPolarHBondContact O-CG 3.45Å; R832-E836 PolarHBondContact O-N 3.36Å |
| 833 | R | 95.1 | Very high | 93.1 | Very high | 131 Ų | 131 | 74.3 Ų | 74.3 | 49% | 0.494 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 176.8 | -79.6 | 173.4 | -76.5 | 158.5 | -6.6 | 112.5 | D829 K830 L835 E836 Q837 | D829-R833 WeakPolarHBondContact O-CG 3.41Å; D829-R833 PolarHBondContact O-N 3.09Å; D829-R833 PolarHBondContact O-NE 3.08Å; D829-R833 PolarHBondContact O-NH2 3.48Å; K830-R833 PolarHBondContact O-N 3.44Å; R833-L835 VanDerWaalsContact C-N 3.3Å; R833-L835 PolarHBondContact O-N 3.25Å; R833-E836 PolarHBondContact O-N 3.18Å; R833-Q837 WeakPolarHBondContact O-CB 3.43Å; R833-Q837 VanDerWaalsContact O-CG 3.29Å; R833-Q837 WeakPolarHBondContact O-CG 3.23Å; R833-Q837 PolarHBondContact O-N 2.98Å |
| 834 | D | 94.3 | Very high | 93.8 | Very high | 56 Ų | 56 | 71.9 Ų | 71.9 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 176.5 | -66.7 | -6.4 | 0 | 0 | 0 | 110.8 | K830 R838 | K830-D834 VanDerWaalsContact CE-OD2 3.32Å; K830-D834 WeakPolarHBondContact CE-OD2 3.35Å; K830-D834 VanDerWaalsContact O-CG 3.31Å; K830-D834 PolarHBondContact O-N 3.32Å; D834-R838 WeakPolarHBondContact O-CG 3.31Å; D834-R838 PolarHBondContact O-N 2.76Å |
| 835 | L | 96.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 75.2 Ų | 75.2 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.8 | -47 | 173 | 179.7 | 62 | 0 | 0 | 0 | 112.3 | E664 F665 L668 E831 R832 R833 Q837 R838 V839 | E664-L835 HydrophobicContact CB-CD1 4.06Å; E664-L835 HydrophobicContact CB-CD2 4.24Å; F665-L835 HydrophobicContact CD1-CD2 3.73Å; F665-L835 HydrophobicContact CD2-CD2 4.42Å; F665-L835 HydrophobicContact CE1-CD2 3.86Å; F665-L835 HydrophobicContact CE1-CG 4.18Å; F665-L835 HydrophobicContact CG-CD2 4.02Å; F665-L835 HydrophobicContact CZ-CD2 4.25Å; F665-L835 HydrophobicContact CZ-CG 4.18Å; L668-L835 HydrophobicContact CB-CD2 4.2Å; L668-L835 HydrophobicContact CD2-CB 4.28Å; L668-L835 HydrophobicContact CD2-CD2 3.74Å; E831-L835 WeakPolarHBondContact O-CB 3.37Å; E831-L835 PolarHBondContact O-N 2.91Å; R832-L835 PolarHBondContact O-N 3Å; R833-L835 VanDerWaalsContact C-N 3.3Å; R833-L835 PolarHBondContact O-N 3.25Å; L835-Q837 VanDerWaalsContact C-N 3.28Å; L835-Q837 PolarHBondContact O-N 3.04Å; L835-R838 PolarHBondContact O-N 2.92Å; L835-R838 VanDerWaalsContact O-N 3.17Å; L835-V839 HydrophobicContact CD1-CG2 3.91Å; L835-V839 HydrophobicContact CG-CG2 4.25Å; L835-V839 WeakPolarHBondContact O-CB 3.3Å; L835-V839 WeakPolarHBondContact O-CG2 3.36Å; L835-V839 PolarHBondContact O-N 3.05Å |
| 836 | E | 95.9 | Very high | 94.9 | Very high | 88 Ų | 88 | 73.6 Ų | 73.6 | 41% | 0.411 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -53.7 | -44.6 | 176 | -74.6 | 163.3 | 177.9 | 0 | 0 | 111.3 | F665 R832 R833 S840 | F665-E836 HydrophobicContact CE1-CG 3.87Å; F665-E836 HydrophobicContact CZ-CB 4.5Å; F665-E836 HydrophobicContact CZ-CG 3.65Å; R832-E836 WeakPolarHBondContact CG-OE1 3.17Å; R832-E836 WeakPolarHBondContact O-CB 3.39Å; R832-E836 VanDerWaalsContact O-CG 3.26Å; R832-E836 WeakPolarHBondContact O-CG 3.45Å; R832-E836 PolarHBondContact O-N 3.36Å; R833-E836 PolarHBondContact O-N 3.18Å; E836-S840 WeakPolarHBondContact O-CB 3.18Å; E836-S840 PolarHBondContact O-N 3.17Å |
| 837 | Q | 96.9 | Very high | 95.2 | Very high | 132 Ų | 132 | 74.3 Ų | 74.3 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.9 | -45.9 | 175.8 | -72.9 | 176.3 | 16.1 | 0 | 0 | 112.6 | R833 L835 V839 S840 L841 | R833-Q837 WeakPolarHBondContact O-CB 3.43Å; R833-Q837 VanDerWaalsContact O-CG 3.29Å; R833-Q837 WeakPolarHBondContact O-CG 3.23Å; R833-Q837 PolarHBondContact O-N 2.98Å; L835-Q837 VanDerWaalsContact C-N 3.28Å; L835-Q837 PolarHBondContact O-N 3.04Å; Q837-V839 PolarHBondContact O-N 3.25Å; Q837-S840 PolarHBondContact O-N 3.41Å; Q837-L841 WeakPolarHBondContact O-CB 3.37Å; Q837-L841 PolarHBondContact O-N 3.17Å |
| 838 | R | 97.2 | Very high | 95.8 | Very high | 151 Ų | 151 | 74.8 Ų | 74.8 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 177.5 | -74.5 | -169 | -51.7 | -104.9 | 2 | 112.3 | D834 L835 R842 | D834-R838 WeakPolarHBondContact O-CG 3.31Å; D834-R838 PolarHBondContact O-N 2.76Å; L835-R838 PolarHBondContact O-N 2.92Å; L835-R838 VanDerWaalsContact O-N 3.17Å; R838-R842 VanDerWaalsContact O-CB 3.29Å; R838-R842 WeakPolarHBondContact O-CB 3.16Å; R838-R842 PolarHBondContact O-N 2.64Å |
| 839 | V | 97 | Very high | 96 | Very high | 6 Ų | 6 | 79.3 Ų | 79.3 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 177 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | H657 Q661 F665 L835 Q837 L841 R842 R843 | H657-V839 PolarHBondContact CE1-O 3.15Å; Q661-V839 HydrophobicContact CB-CG1 4.08Å; Q661-V839 VanDerWaalsContact CD-CG1 3.44Å; Q661-V839 HydrophobicContact CG-CG1 3.69Å; Q661-V839 HydrophobicContact CG-CG2 4.5Å; F665-V839 HydrophobicContact CE2-CG2 4.26Å; L835-V839 HydrophobicContact CD1-CG2 3.91Å; L835-V839 HydrophobicContact CG-CG2 4.25Å; L835-V839 WeakPolarHBondContact O-CB 3.3Å; L835-V839 WeakPolarHBondContact O-CG2 3.36Å; L835-V839 PolarHBondContact O-N 3.05Å; Q837-V839 PolarHBondContact O-N 3.25Å; V839-L841 PolarHBondContact O-N 3.1Å; V839-R842 PolarHBondContact O-N 2.92Å; V839-R843 WeakPolarHBondContact O-CB 3.42Å; V839-R843 PolarHBondContact O-N 2.88Å |
| 840 | S | 96.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 77.3 Ų | 77.3 | 54% | 0.538 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 178.3 | 179 | 0 | 0 | 0 | 0 | 112.6 | E836 Q837 R843 A844 | E836-S840 WeakPolarHBondContact O-CB 3.18Å; E836-S840 PolarHBondContact O-N 3.17Å; Q837-S840 PolarHBondContact O-N 3.41Å; S840-R843 WeakPolarHBondContact O-CB 2.93Å; S840-R843 PolarHBondContact O-N 3.02Å; S840-A844 PolarHBondContact O-N 3.06Å |
| 841 | L | 97.3 | Very high | 96.4 | Very high | 110 Ų | 110 | 79 Ų | 79 | 58% | 0.576 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.7 | -43.8 | 174.3 | -178.1 | 62 | 0 | 0 | 0 | 111.6 | Q837 V839 R843 A844 L845 | Q837-L841 WeakPolarHBondContact O-CB 3.37Å; Q837-L841 PolarHBondContact O-N 3.17Å; V839-L841 PolarHBondContact O-N 3.1Å; L841-R843 PolarHBondContact O-N 2.66Å; L841-A844 PolarHBondContact O-N 3.15Å; L841-L845 HydrophobicContact CD1-CD1 4.15Å; L841-L845 HydrophobicContact CD1-CG 4.27Å; L841-L845 HydrophobicContact CG-CD1 4.01Å; L841-L845 WeakPolarHBondContact O-CB 3.49Å; L841-L845 VanDerWaalsContact O-CG 3.3Å; L841-L845 WeakPolarHBondContact O-CG 3.39Å; L841-L845 PolarHBondContact O-N 2.81Å |
| 842 | R | 97.3 | Very high | 96.5 | Very high | 80 Ų | 80 | 82.7 Ų | 82.7 | 30% | 0.302 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.7 | -32.2 | 174.7 | -174.9 | -178.5 | 73.4 | -151.4 | 1.3 | 112.1 | H657 E664 R838 V839 L846 | H657-R842 PolarHBondContact CE1-NE 3.02Å; H657-R842 PolarHBondContact ND1-NE 3.46Å; E664-R842 IonicContact OE1-CZ 2.75Å; E664-R842 IonicContact OE1-NH1 3.91Å; E664-R842 PolarHBondContact OE1-NH1 3.26Å; E664-R842 IonicContact OE2-CZ 3.63Å; E664-R842 IonicContact OE2-NH1 3.66Å; E664-R842 PolarHBondContact OE2-NH1 3.18Å; E664-R842 IonicContact OE2-NH2 3.83Å; E664-R842 PolarHBondContact OE2-NH2 3.38Å; R838-R842 VanDerWaalsContact O-CB 3.29Å; R838-R842 WeakPolarHBondContact O-CB 3.16Å; R838-R842 PolarHBondContact O-N 2.64Å; V839-R842 PolarHBondContact O-N 2.92Å; R842-L846 WeakPolarHBondContact O-CB 3.4Å; R842-L846 PolarHBondContact O-N 3.21Å |
| 843 | R | 97.2 | Very high | 96.6 | Very high | 69 Ų | 69 | 80.9 Ų | 80.9 | 26% | 0.26 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.4 | -53.6 | 177.9 | 179.2 | 76.9 | -171.8 | -140.3 | 3.3 | 109.8 | H657 E658 V839 S840 L841 L845 L846 E847 | H657-R843 VanDerWaalsContact CE1-CA 3.45Å; H657-R843 WeakPolarHBondContact CE1-CA 3.44Å; H657-R843 PolarHBondContact CE1-N 2.97Å; H657-R843 VanDerWaalsContact CE1-N 3.28Å; E658-R843 IonicContact OE1-CZ 2.66Å; E658-R843 IonicContact OE1-NH1 2.67Å; E658-R843 PolarHBondContact OE1-NH1 2.9Å; V839-R843 WeakPolarHBondContact O-CB 3.42Å; V839-R843 PolarHBondContact O-N 2.88Å; S840-R843 WeakPolarHBondContact O-CB 2.93Å; S840-R843 PolarHBondContact O-N 3.02Å; L841-R843 PolarHBondContact O-N 2.66Å; R843-L845 PolarHBondContact O-N 2.76Å; R843-L846 WeakPolarHBondContact O-CB 3.48Å; R843-L846 PolarHBondContact O-N 2.88Å; R843-L846 VanDerWaalsContact O-N 3.13Å; R843-E847 IonicContact CZ-OE1 3.99Å; R843-E847 VanDerWaalsContact CZ-OE1 3.22Å; R843-E847 IonicContact NE-OE1 3.32Å; R843-E847 PolarHBondContact NE-OE1 3.43Å; R843-E847 IonicContact NE-OE2 2.74Å; R843-E847 IonicContact NH2-OE1 2.74Å; R843-E847 PolarHBondContact NH2-OE1 2.99Å; R843-E847 WeakPolarHBondContact O-CG 3.37Å; R843-E847 PolarHBondContact O-N 3.41Å |
| 844 | A | 97 | Very high | 96.6 | Very high | 52 Ų | 52 | 77.5 Ų | 77.5 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | S840 L841 L846 E847 Q848 | S840-A844 PolarHBondContact O-N 3.06Å; L841-A844 PolarHBondContact O-N 3.15Å; A844-L846 VanDerWaalsContact C-N 3.32Å; A844-L846 PolarHBondContact O-N 3.37Å; A844-E847 PolarHBondContact O-N 3.47Å; A844-Q848 WeakPolarHBondContact O-CB 3.43Å; A844-Q848 PolarHBondContact O-N 2.83Å |
| 845 | L | 97.8 | Very high | 96.7 | Very high | 97 Ų | 97 | 79.6 Ų | 79.6 | 51% | 0.508 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.5 | -32.3 | 176.2 | -70.7 | 171.2 | 0 | 0 | 0 | 112.9 | L841 R843 K849 | L841-L845 HydrophobicContact CD1-CD1 4.15Å; L841-L845 HydrophobicContact CD1-CG 4.27Å; L841-L845 HydrophobicContact CG-CD1 4.01Å; L841-L845 WeakPolarHBondContact O-CB 3.49Å; L841-L845 VanDerWaalsContact O-CG 3.3Å; L841-L845 WeakPolarHBondContact O-CG 3.39Å; L841-L845 PolarHBondContact O-N 2.81Å; R843-L845 PolarHBondContact O-N 2.76Å; L845-K849 WeakPolarHBondContact O-CB 3.36Å; L845-K849 PolarHBondContact O-N 2.89Å; L845-K849 VanDerWaalsContact O-N 3.16Å |
| 846 | L | 97.3 | Very high | 96.6 | Very high | 33 Ų | 33 | 82.1 Ų | 82.1 | 17% | 0.173 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.7 | -43.5 | 174 | 176.1 | 59.4 | 0 | 0 | 0 | 111.2 | L653 L654 H657 R842 R843 A844 K849 I850 | L653-L846 HydrophobicContact CB-CD1 4.2Å; L653-L846 HydrophobicContact CB-CD2 4.49Å; L654-L846 HydrophobicContact CD2-CD2 4.04Å; L654-L846 HydrophobicContact CD2-CG 4.37Å; H657-L846 HydrophobicContact CB-CD2 3.86Å; R842-L846 WeakPolarHBondContact O-CB 3.4Å; R842-L846 PolarHBondContact O-N 3.21Å; R843-L846 WeakPolarHBondContact O-CB 3.48Å; R843-L846 PolarHBondContact O-N 2.88Å; R843-L846 VanDerWaalsContact O-N 3.13Å; A844-L846 VanDerWaalsContact C-N 3.32Å; A844-L846 PolarHBondContact O-N 3.37Å; L846-K849 PolarHBondContact O-N 3.34Å; L846-I850 HydrophobicContact CD1-CD1 4.05Å; L846-I850 HydrophobicContact CD1-CG1 4.38Å; L846-I850 HydrophobicContact CG-CD1 3.99Å; L846-I850 VanDerWaalsContact O-CG1 3.27Å; L846-I850 WeakPolarHBondContact O-CG1 3.29Å; L846-I850 PolarHBondContact O-N 3.16Å |
| 847 | E | 95.9 | Very high | 96.6 | Very high | 70 Ų | 70 | 78.8 Ų | 78.8 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 178 | -72.4 | 170.3 | 155.6 | 0 | 0 | 111.4 | L654 R843 A844 K849 I850 E851 | L654-E847 HydrophobicContact CD2-CG 4.18Å; R843-E847 IonicContact CZ-OE1 3.99Å; R843-E847 VanDerWaalsContact CZ-OE1 3.22Å; R843-E847 IonicContact NE-OE1 3.32Å; R843-E847 PolarHBondContact NE-OE1 3.43Å; R843-E847 IonicContact NE-OE2 2.74Å; R843-E847 IonicContact NH2-OE1 2.74Å; R843-E847 PolarHBondContact NH2-OE1 2.99Å; R843-E847 WeakPolarHBondContact O-CG 3.37Å; R843-E847 PolarHBondContact O-N 3.41Å; A844-E847 PolarHBondContact O-N 3.47Å; E847-K849 PolarHBondContact O-N 3.45Å; E847-I850 WeakPolarHBondContact O-CB 3.27Å; E847-I850 PolarHBondContact O-N 2.88Å; E847-I850 VanDerWaalsContact O-N 3.17Å; E847-E851 PolarHBondContact O-N 3.36Å |
| 848 | Q | 97.5 | Very high | 96.5 | Very high | 98 Ų | 98 | 77.8 Ų | 77.8 | 46% | 0.458 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.4 | -46.4 | 171.7 | -178.4 | -172.6 | -22.1 | 0 | 0 | 111.9 | A844 I850 E851 E852 | A844-Q848 WeakPolarHBondContact O-CB 3.43Å; A844-Q848 PolarHBondContact O-N 2.83Å; Q848-I850 VanDerWaalsContact C-N 3.29Å; Q848-I850 PolarHBondContact O-N 3.32Å; Q848-E851 PolarHBondContact O-N 3.04Å; Q848-E852 PolarHBondContact NE2-OE1 2.86Å; Q848-E852 WeakPolarHBondContact O-CG 3.48Å; Q848-E852 PolarHBondContact O-N 3.36Å |
| 849 | K | 97.1 | Very high | 96.4 | Very high | 109 Ų | 109 | 75 Ų | 75 | 47% | 0.474 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.8 | -33.9 | 179.1 | -174.7 | 171.8 | -174 | -79.8 | 0 | 112.5 | L845 L846 E847 E853 | L845-K849 WeakPolarHBondContact O-CB 3.36Å; L845-K849 PolarHBondContact O-N 2.89Å; L845-K849 VanDerWaalsContact O-N 3.16Å; L846-K849 PolarHBondContact O-N 3.34Å; E847-K849 PolarHBondContact O-N 3.45Å; K849-E853 IonicContact NZ-OE1 2.71Å; K849-E853 PolarHBondContact NZ-OE1 3.05Å; K849-E853 WeakPolarHBondContact O-CB 3.26Å; K849-E853 WeakPolarHBondContact O-CG 3.38Å; K849-E853 PolarHBondContact O-N 2.6Å |
| 850 | I | 96.8 | Very high | 96.2 | Very high | 28 Ų | 28 | 79.4 Ų | 79.4 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 173.3 | -73.6 | 165.8 | 0 | 0 | 0 | 110 | H650 L654 L846 E847 Q848 E853 M854 | H650-I850 HydrophobicContact CB-CD1 4.05Å; H650-I850 HydrophobicContact CB-CG1 3.98Å; H650-I850 HydrophobicContact CB-CG2 4.1Å; L654-I850 HydrophobicContact CD1-CD1 4.19Å; L654-I850 HydrophobicContact CD2-CD1 4.1Å; L654-I850 HydrophobicContact CG-CD1 3.93Å; L846-I850 HydrophobicContact CD1-CD1 4.05Å; L846-I850 HydrophobicContact CD1-CG1 4.38Å; L846-I850 HydrophobicContact CG-CD1 3.99Å; L846-I850 VanDerWaalsContact O-CG1 3.27Å; L846-I850 WeakPolarHBondContact O-CG1 3.29Å; L846-I850 PolarHBondContact O-N 3.16Å; E847-I850 WeakPolarHBondContact O-CB 3.27Å; E847-I850 PolarHBondContact O-N 2.88Å; E847-I850 VanDerWaalsContact O-N 3.17Å; Q848-I850 VanDerWaalsContact C-N 3.29Å; Q848-I850 PolarHBondContact O-N 3.32Å; I850-E853 PolarHBondContact O-N 2.9Å; I850-M854 HydrophobicContact CG2-CG 4.4Å; I850-M854 VanDerWaalsContact O-CB 3.3Å; I850-M854 WeakPolarHBondContact O-CB 3.28Å; I850-M854 WeakPolarHBondContact O-CG 3.49Å; I850-M854 PolarHBondContact O-N 3.3Å |
| 851 | E | 95.9 | Very high | 96.2 | Very high | 143 Ų | 143 | 79.4 Ų | 79.4 | 67% | 0.668 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.7 | -43.8 | 175.5 | -69.5 | -179.4 | 174.1 | 0 | 0 | 112.4 | E847 Q848 M854 L855 | E847-E851 PolarHBondContact O-N 3.36Å; Q848-E851 PolarHBondContact O-N 3.04Å; E851-M854 PolarHBondContact O-N 2.97Å; E851-L855 WeakPolarHBondContact O-CB 3.16Å; E851-L855 PolarHBondContact O-N 3.44Å |
| 852 | E | 96.7 | Very high | 96.1 | Very high | 109 Ų | 109 | 78.8 Ų | 78.8 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.6 | -73 | 174.1 | -171.2 | 0 | 0 | 112.6 | Q848 L855 S856 | Q848-E852 PolarHBondContact NE2-OE1 2.86Å; Q848-E852 WeakPolarHBondContact O-CG 3.48Å; Q848-E852 PolarHBondContact O-N 3.36Å; E852-L855 PolarHBondContact O-N 2.93Å; E852-S856 PolarHBondContact O-N 2.98Å |
| 853 | E | 96 | Very high | 96 | Very high | 52 Ų | 52 | 79.5 Ų | 79.5 | 24% | 0.243 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 175.8 | -78.2 | -173.4 | -157.6 | 0 | 0 | 112.2 | K646 H650 K849 I850 S856 L857 | K646-E853 IonicContact NZ-OE2 3.89Å; K646-E853 PolarHBondContact NZ-OE2 2.65Å; H650-E853 IonicContact CD2-OE2 2.76Å; H650-E853 IonicContact CE1-OE2 2.75Å; H650-E853 IonicContact NE2-OE2 3.54Å; H650-E853 PolarHBondContact NE2-OE2 3.07Å; K849-E853 IonicContact NZ-OE1 2.71Å; K849-E853 PolarHBondContact NZ-OE1 3.05Å; K849-E853 WeakPolarHBondContact O-CB 3.26Å; K849-E853 WeakPolarHBondContact O-CG 3.38Å; K849-E853 PolarHBondContact O-N 2.6Å; I850-E853 PolarHBondContact O-N 2.9Å; E853-S856 PolarHBondContact O-N 3.43Å; E853-L857 WeakPolarHBondContact O-CB 3.19Å; E853-L857 PolarHBondContact O-N 3.49Å |
| 854 | M | 95.3 | Very high | 95.9 | Very high | 61 Ų | 61 | 83 Ų | 83 | 30% | 0.3 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 177.8 | -74 | -72.1 | -81.6 | 0 | 0 | 112.1 | Q643 I850 E851 L857 Q858 | Q643-M854 VanDerWaalsContact NE2-CE 3.31Å; Q643-M854 PolarHBondContact NE2-SD 2.84Å; Q643-M854 VanDerWaalsContact NE2-SD 3.36Å; I850-M854 HydrophobicContact CG2-CG 4.4Å; I850-M854 VanDerWaalsContact O-CB 3.3Å; I850-M854 WeakPolarHBondContact O-CB 3.28Å; I850-M854 WeakPolarHBondContact O-CG 3.49Å; I850-M854 PolarHBondContact O-N 3.3Å; E851-M854 PolarHBondContact O-N 2.97Å; M854-L857 PolarHBondContact O-N 3.43Å; M854-Q858 WeakPolarHBondContact O-CB 3.35Å; M854-Q858 PolarHBondContact O-N 3Å |
| 855 | L | 95.7 | Very high | 95.8 | Very high | 100 Ų | 100 | 83.8 Ų | 83.8 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 174.7 | -176.5 | 62.6 | 0 | 0 | 0 | 111.5 | E851 E852 Q858 N859 | E851-L855 WeakPolarHBondContact O-CB 3.16Å; E851-L855 PolarHBondContact O-N 3.44Å; E852-L855 PolarHBondContact O-N 2.93Å; L855-Q858 PolarHBondContact O-N 3.44Å; L855-N859 PolarHBondContact O-N 3.44Å; L855-N859 PolarHBondContact O-ND2 3.37Å; L855-N859 VanDerWaalsContact O-ND2 3.11Å |
| 856 | S | 95.3 | Very high | 95.6 | Very high | 59 Ų | 59 | 85.2 Ų | 85.2 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 172.9 | -168.8 | 0 | 0 | 0 | 0 | 111.3 | E852 E853 Q858 N859 E860 | E852-S856 PolarHBondContact O-N 2.98Å; E853-S856 PolarHBondContact O-N 3.43Å; S856-Q858 VanDerWaalsContact C-N 3.31Å; S856-Q858 PolarHBondContact O-N 3.14Å; S856-N859 PolarHBondContact O-N 2.96Å; S856-N859 VanDerWaalsContact O-N 3.14Å; S856-E860 PolarHBondContact O-N 3.1Å; S856-E860 PolarHBondContact OG-OE1 2.9Å |
| 857 | L | 94.7 | Very high | 95.5 | Very high | 18 Ų | 18 | 86.4 Ų | 86.4 | 9% | 0.094 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 178.6 | -176.6 | 63.8 | 0 | 0 | 0 | 112.4 | R642 K646 E853 M854 R861 | R642-L857 HydrophobicContact CB-CD1 4.45Å; K646-L857 HydrophobicContact CB-CD2 3.94Å; K646-L857 HydrophobicContact CG-CD2 4.09Å; E853-L857 WeakPolarHBondContact O-CB 3.19Å; E853-L857 PolarHBondContact O-N 3.49Å; M854-L857 PolarHBondContact O-N 3.43Å; L857-R861 WeakPolarHBondContact O-CB 3.35Å; L857-R861 PolarHBondContact O-N 2.86Å |
| 858 | Q | 94.5 | Very high | 95.5 | Very high | 112 Ų | 112 | 84.3 Ų | 84.3 | 52% | 0.523 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 175.7 | -173 | 170.6 | -4.1 | 0 | 0 | 112.1 | M854 L855 S856 R861 L862 | M854-Q858 WeakPolarHBondContact O-CB 3.35Å; M854-Q858 PolarHBondContact O-N 3Å; L855-Q858 PolarHBondContact O-N 3.44Å; S856-Q858 VanDerWaalsContact C-N 3.31Å; S856-Q858 PolarHBondContact O-N 3.14Å; Q858-R861 PolarHBondContact O-N 3.5Å; Q858-L862 WeakPolarHBondContact O-CG 3.31Å; Q858-L862 PolarHBondContact O-N 2.78Å |
| 859 | N | 95.1 | Very high | 95.4 | Very high | 91 Ų | 91 | 83.4 Ų | 83.4 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 173.9 | -71.5 | -36.8 | 0 | 0 | 0 | 111.7 | L855 S856 R861 L862 E863 | L855-N859 PolarHBondContact O-N 3.44Å; L855-N859 PolarHBondContact O-ND2 3.37Å; L855-N859 VanDerWaalsContact O-ND2 3.11Å; S856-N859 PolarHBondContact O-N 2.96Å; S856-N859 VanDerWaalsContact O-N 3.14Å; N859-R861 VanDerWaalsContact C-N 3.29Å; N859-R861 PolarHBondContact O-N 2.83Å; N859-L862 PolarHBondContact O-N 3.29Å; N859-E863 PolarHBondContact O-N 2.99Å |
| 860 | E | 94.4 | Very high | 95.3 | Very high | 100 Ų | 100 | 82.8 Ų | 82.8 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.4 | -42.9 | 172.9 | -75.4 | 176.1 | -132.7 | 0 | 0 | 111.8 | S856 E863 R864 | S856-E860 PolarHBondContact O-N 3.1Å; S856-E860 PolarHBondContact OG-OE1 2.9Å; E860-E863 PolarHBondContact O-N 3.18Å; E860-R864 WeakPolarHBondContact O-CB 3.48Å; E860-R864 PolarHBondContact O-N 3.11Å |
| 861 | R | 95.3 | Very high | 95.2 | Very high | 77 Ų | 77 | 85.2 Ų | 85.2 | 29% | 0.291 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 177.1 | -179.8 | -175.3 | -175 | 142 | 11.8 | 112 | L639 N640 L857 Q858 N859 I865 | L639-R861 HydrophobicContact CB-CG 4.41Å; L639-R861 HydrophobicContact CD1-CG 4.17Å; L639-R861 HydrophobicContact CD2-CB 4.37Å; L639-R861 HydrophobicContact CD2-CG 4.38Å; N640-R861 PolarHBondContact OD1-NH2 3.1Å; L857-R861 WeakPolarHBondContact O-CB 3.35Å; L857-R861 PolarHBondContact O-N 2.86Å; Q858-R861 PolarHBondContact O-N 3.5Å; N859-R861 VanDerWaalsContact C-N 3.29Å; N859-R861 PolarHBondContact O-N 2.83Å; R861-I865 HydrophobicContact CG-CD1 4.21Å; R861-I865 WeakPolarHBondContact O-CD1 3.47Å; R861-I865 VanDerWaalsContact O-CG1 3.28Å; R861-I865 WeakPolarHBondContact O-CG1 3.43Å; R861-I865 PolarHBondContact O-N 2.75Å |
| 862 | L | 94.6 | Very high | 95.2 | Very high | 97 Ų | 97 | 78.7 Ų | 78.7 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 177.9 | -73 | 170.3 | 0 | 0 | 0 | 111.3 | Q858 N859 I865 R866 | Q858-L862 WeakPolarHBondContact O-CG 3.31Å; Q858-L862 PolarHBondContact O-N 2.78Å; N859-L862 PolarHBondContact O-N 3.29Å; L862-I865 PolarHBondContact O-N 2.93Å; L862-R866 PolarHBondContact O-N 3.05Å |
| 863 | E | 95.4 | Very high | 95 | Very high | 95 Ų | 95 | 76.2 Ų | 76.2 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.8 | -36.2 | -177.9 | -167.1 | 51.5 | -140.4 | 0 | 0 | 112.4 | N859 E860 I865 R866 S867 | N859-E863 PolarHBondContact O-N 2.99Å; E860-E863 PolarHBondContact O-N 3.18Å; E863-I865 VanDerWaalsContact C-N 3.31Å; E863-I865 PolarHBondContact O-N 3.42Å; E863-R866 PolarHBondContact O-N 3.02Å; E863-R866 IonicContact OE1-NE 2.75Å; E863-R866 IonicContact OE2-CZ 3.06Å; E863-R866 IonicContact OE2-NE 3.82Å; E863-R866 PolarHBondContact OE2-NE 3.49Å; E863-R866 IonicContact OE2-NH2 2.71Å; E863-S867 VanDerWaalsContact O-CB 3.28Å; E863-S867 WeakPolarHBondContact O-CB 3.44Å; E863-S867 PolarHBondContact O-N 2.87Å |
| 864 | R | 94.9 | Very high | 94.9 | Very high | 143 Ų | 143 | 80.8 Ų | 80.8 | 54% | 0.54 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 173.4 | -172.8 | 58.2 | 167.1 | 179.8 | -3 | 112.1 | L639 E860 L868 | L639-R864 HydrophobicContact CD1-CB 4.35Å; L639-R864 HydrophobicContact CD1-CG 4.24Å; L639-R864 HydrophobicContact CD2-CB 4.37Å; L639-R864 HydrophobicContact CD2-CG 4.31Å; E860-R864 WeakPolarHBondContact O-CB 3.48Å; E860-R864 PolarHBondContact O-N 3.11Å; R864-L868 WeakPolarHBondContact O-CB 3.38Å; R864-L868 PolarHBondContact O-N 2.86Å |
| 865 | I | 94.6 | Very high | 94.8 | Very high | 67 Ų | 67 | 80.6 Ų | 80.6 | 34% | 0.344 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.5 | -44.1 | 175.2 | -68.1 | 166.9 | 0 | 0 | 0 | 110.8 | L639 R861 L862 E863 L868 L869 | L639-I865 HydrophobicContact CD1-CD1 4.15Å; L639-I865 HydrophobicContact CD1-CG1 3.84Å; R861-I865 HydrophobicContact CG-CD1 4.21Å; R861-I865 WeakPolarHBondContact O-CD1 3.47Å; R861-I865 VanDerWaalsContact O-CG1 3.28Å; R861-I865 WeakPolarHBondContact O-CG1 3.43Å; R861-I865 PolarHBondContact O-N 2.75Å; L862-I865 PolarHBondContact O-N 2.93Å; E863-I865 VanDerWaalsContact C-N 3.31Å; E863-I865 PolarHBondContact O-N 3.42Å; I865-L868 PolarHBondContact O-N 3.19Å; I865-L869 HydrophobicContact CG2-CD1 3.95Å; I865-L869 HydrophobicContact CG2-CG 4.5Å; I865-L869 WeakPolarHBondContact O-CG 3.14Å; I865-L869 PolarHBondContact O-N 3.04Å |
| 866 | R | 95.1 | Very high | 94.7 | Very high | 128 Ų | 128 | 78.1 Ų | 78.1 | 48% | 0.483 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.3 | -56.1 | 175.4 | -173.7 | -159.1 | -51.4 | -74.1 | -3.8 | 111.2 | L862 E863 L868 L869 E870 | L862-R866 PolarHBondContact O-N 3.05Å; E863-R866 PolarHBondContact O-N 3.02Å; E863-R866 IonicContact OE1-NE 2.75Å; E863-R866 IonicContact OE2-CZ 3.06Å; E863-R866 IonicContact OE2-NE 3.82Å; E863-R866 PolarHBondContact OE2-NE 3.49Å; E863-R866 IonicContact OE2-NH2 2.71Å; R866-L868 VanDerWaalsContact C-N 3.25Å; R866-L868 PolarHBondContact O-N 3.25Å; R866-L869 PolarHBondContact O-N 3.01Å; R866-L869 VanDerWaalsContact O-N 3.08Å; R866-E870 VanDerWaalsContact CD-OE1 3.22Å; R866-E870 WeakPolarHBondContact CD-OE1 3.46Å; R866-E870 HydrophobicContact CG-CG 4.33Å; R866-E870 WeakPolarHBondContact CG-OE1 3.49Å; R866-E870 WeakPolarHBondContact O-CG 3.25Å; R866-E870 PolarHBondContact O-N 3.44Å |
| 867 | S | 95.6 | Very high | 94.5 | Very high | 58 Ų | 58 | 81.6 Ų | 81.6 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.4 | -36.7 | -178.4 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | E863 R871 | E863-S867 VanDerWaalsContact O-CB 3.28Å; E863-S867 WeakPolarHBondContact O-CB 3.44Å; E863-S867 PolarHBondContact O-N 2.87Å; S867-R871 WeakPolarHBondContact O-CB 3.47Å; S867-R871 PolarHBondContact O-N 2.82Å |
| 868 | L | 95.2 | Very high | 94.3 | Very high | 25 Ų | 25 | 83.6 Ų | 83.6 | 13% | 0.131 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64 | -51.1 | 173.1 | 178.7 | 59.8 | 0 | 0 | 0 | 111.9 | Q632 A635 R864 I865 R866 E870 R871 Q872 | Q632-L868 HydrophobicContact CG-CD2 4.06Å; A635-L868 HydrophobicContact CB-CD2 3.74Å; R864-L868 WeakPolarHBondContact O-CB 3.38Å; R864-L868 PolarHBondContact O-N 2.86Å; I865-L868 PolarHBondContact O-N 3.19Å; R866-L868 VanDerWaalsContact C-N 3.25Å; R866-L868 PolarHBondContact O-N 3.25Å; L868-E870 PolarHBondContact O-N 3.48Å; L868-R871 PolarHBondContact O-N 2.99Å; L868-Q872 HydrophobicContact CD1-CG 4.28Å; L868-Q872 VanDerWaalsContact O-CG 3.32Å; L868-Q872 WeakPolarHBondContact O-CG 3.38Å; L868-Q872 PolarHBondContact O-N 3.05Å |
| 869 | L | 94.5 | Very high | 94.2 | Very high | 80 Ų | 80 | 79.7 Ų | 79.7 | 42% | 0.419 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | -179.8 | -68.5 | 171.9 | 0 | 0 | 0 | 112 | I865 R866 R871 Q872 A873 | I865-L869 HydrophobicContact CG2-CD1 3.95Å; I865-L869 HydrophobicContact CG2-CG 4.5Å; I865-L869 WeakPolarHBondContact O-CG 3.14Å; I865-L869 PolarHBondContact O-N 3.04Å; R866-L869 PolarHBondContact O-N 3.01Å; R866-L869 VanDerWaalsContact O-N 3.08Å; L869-R871 PolarHBondContact O-N 3.37Å; L869-Q872 PolarHBondContact O-N 3.46Å; L869-A873 WeakPolarHBondContact O-CB 3.41Å; L869-A873 PolarHBondContact O-N 3.43Å |
| 870 | E | 94.7 | Very high | 93.8 | Very high | 95 Ų | 95 | 76.1 Ų | 76.1 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.2 | -32.3 | 175.4 | -73.3 | 178.2 | -170.6 | 0 | 0 | 112.9 | R866 L868 R874 | R866-E870 VanDerWaalsContact CD-OE1 3.22Å; R866-E870 WeakPolarHBondContact CD-OE1 3.46Å; R866-E870 HydrophobicContact CG-CG 4.33Å; R866-E870 WeakPolarHBondContact CG-OE1 3.49Å; R866-E870 WeakPolarHBondContact O-CG 3.25Å; R866-E870 PolarHBondContact O-N 3.44Å; L868-E870 PolarHBondContact O-N 3.48Å; E870-R874 WeakPolarHBondContact O-CG 3.45Å; E870-R874 PolarHBondContact O-N 2.97Å; E870-R874 PolarHBondContact O-NE 3.15Å |
| 871 | R | 96.1 | Very high | 93.5 | Very high | 79 Ų | 79 | 74.7 Ų | 74.7 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.7 | -49.1 | 169.1 | 177.4 | 178.4 | 62.1 | 84 | -2.6 | 110.5 | E631 S867 L868 L869 A873 R874 E875 | E631-R871 IonicContact OE2-CZ 3.6Å; E631-R871 IonicContact OE2-NH1 3.47Å; E631-R871 PolarHBondContact OE2-NH1 3.43Å; E631-R871 VanDerWaalsContact OE2-NH1 3.12Å; E631-R871 IonicContact OE2-NH2 2.74Å; E631-R871 PolarHBondContact OE2-NH2 3.02Å; S867-R871 WeakPolarHBondContact O-CB 3.47Å; S867-R871 PolarHBondContact O-N 2.82Å; L868-R871 PolarHBondContact O-N 2.99Å; L869-R871 PolarHBondContact O-N 3.37Å; R871-A873 VanDerWaalsContact C-N 3.34Å; R871-A873 PolarHBondContact O-N 3.37Å; R871-R874 PolarHBondContact O-N 2.77Å; R871-E875 WeakPolarHBondContact CD-OE1 3.34Å; R871-E875 HydrophobicContact CG-CG 4.41Å; R871-E875 WeakPolarHBondContact CG-OE1 3.26Å; R871-E875 IonicContact CZ-OE1 3.6Å; R871-E875 IonicContact NE-OE1 2.7Å; R871-E875 IonicContact NH1-OE1 3.59Å; R871-E875 PolarHBondContact NH1-OE1 2.92Å; R871-E875 IonicContact NH1-OE2 2.65Å; R871-E875 PolarHBondContact NH1-OE2 3.33Å; R871-E875 WeakPolarHBondContact O-CG 3.43Å; R871-E875 PolarHBondContact O-N 3.01Å |
| 872 | Q | 94.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 75 Ų | 75 | 3% | 0.033 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | -177.5 | -69.7 | -178.2 | -16.8 | 0 | 0 | 112 | H628 E631 L868 L869 E875 I876 | H628-Q872 VanDerWaalsContact CA-NE2 3.35Å; H628-Q872 HydrophobicContact CB-CG 4.12Å; H628-Q872 PolarHBondContact CE1-O 3.47Å; H628-Q872 PolarHBondContact O-NE2 2.95Å; E631-Q872 PolarHBondContact OE2-NE2 3.33Å; L868-Q872 HydrophobicContact CD1-CG 4.28Å; L868-Q872 VanDerWaalsContact O-CG 3.32Å; L868-Q872 WeakPolarHBondContact O-CG 3.38Å; L868-Q872 PolarHBondContact O-N 3.05Å; L869-Q872 PolarHBondContact O-N 3.46Å; Q872-E875 PolarHBondContact O-N 2.61Å; Q872-I876 WeakPolarHBondContact O-CG1 3.17Å; Q872-I876 PolarHBondContact O-N 3.26Å |
| 873 | A | 93.3 | Very high | 92.8 | Very high | 57 Ų | 57 | 70.4 Ų | 70.4 | 47% | 0.471 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L869 R871 E875 I876 E877 | L869-A873 WeakPolarHBondContact O-CB 3.41Å; L869-A873 PolarHBondContact O-N 3.43Å; R871-A873 VanDerWaalsContact C-N 3.34Å; R871-A873 PolarHBondContact O-N 3.37Å; A873-E875 VanDerWaalsContact C-N 3.34Å; A873-E875 PolarHBondContact O-N 3.06Å; A873-I876 PolarHBondContact O-N 2.95Å; A873-E877 WeakPolarHBondContact O-CB 3.33Å; A873-E877 PolarHBondContact O-N 3.04Å |
| 874 | R | 94.5 | Very high | 92.2 | Very high | 147 Ų | 147 | 71 Ų | 71 | 56% | 0.555 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.9 | -35.6 | 176.4 | -75.9 | 176.6 | -72.2 | 167.7 | -7.3 | 113 | E870 R871 A878 | E870-R874 WeakPolarHBondContact O-CG 3.45Å; E870-R874 PolarHBondContact O-N 2.97Å; E870-R874 PolarHBondContact O-NE 3.15Å; R871-R874 PolarHBondContact O-N 2.77Å; R874-A878 VanDerWaalsContact O-CB 3.25Å; R874-A878 WeakPolarHBondContact O-CB 3.27Å; R874-A878 PolarHBondContact O-N 3.43Å |
| 875 | E | 93.4 | Very high | 91.8 | Very high | 57 Ų | 57 | 73.6 Ų | 73.6 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 174.3 | -76.2 | 176.1 | -157.5 | 0 | 0 | 112.1 | H628 R871 Q872 A873 F879 | H628-E875 IonicContact CD2-OE2 3.66Å; H628-E875 IonicContact CE1-OE2 3.24Å; H628-E875 IonicContact NE2-OE2 2.7Å; H628-E875 PolarHBondContact NE2-OE2 3.09Å; R871-E875 WeakPolarHBondContact CD-OE1 3.34Å; R871-E875 HydrophobicContact CG-CG 4.41Å; R871-E875 WeakPolarHBondContact CG-OE1 3.26Å; R871-E875 IonicContact CZ-OE1 3.6Å; R871-E875 IonicContact NE-OE1 2.7Å; R871-E875 IonicContact NH1-OE1 3.59Å; R871-E875 PolarHBondContact NH1-OE1 2.92Å; R871-E875 IonicContact NH1-OE2 2.65Å; R871-E875 PolarHBondContact NH1-OE2 3.33Å; R871-E875 WeakPolarHBondContact O-CG 3.43Å; R871-E875 PolarHBondContact O-N 3.01Å; Q872-E875 PolarHBondContact O-N 2.61Å; A873-E875 VanDerWaalsContact C-N 3.34Å; A873-E875 PolarHBondContact O-N 3.06Å; E875-F879 VanDerWaalsContact O-CB 3.31Å; E875-F879 WeakPolarHBondContact O-CB 3.42Å; E875-F879 PolarHBondContact O-N 3.5Å |
| 876 | I | 91.8 | Very high | 91.2 | Very high | 48 Ų | 48 | 74.9 Ų | 74.9 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.8 | -46.1 | 174.2 | -67.3 | 165.3 | 0 | 0 | 0 | 110.8 | L624 Q872 A873 A878 F879 D880 | L624-I876 HydrophobicContact CD2-CG1 4.33Å; Q872-I876 WeakPolarHBondContact O-CG1 3.17Å; Q872-I876 PolarHBondContact O-N 3.26Å; A873-I876 PolarHBondContact O-N 2.95Å; I876-A878 PolarHBondContact O-N 3.02Å; I876-F879 PolarHBondContact O-N 3.2Å; I876-D880 PolarHBondContact O-N 3.49Å |
| 877 | E | 91.1 | Very high | 90.4 | Very high | 132 Ų | 132 | 71.9 Ų | 71.9 | 62% | 0.617 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.2 | -43.9 | 178.4 | -177 | 178.5 | -157.1 | 0 | 0 | 112.1 | A873 D880 S881 | A873-E877 WeakPolarHBondContact O-CB 3.33Å; A873-E877 PolarHBondContact O-N 3.04Å; E877-D880 PolarHBondContact O-N 3.32Å; E877-S881 VanDerWaalsContact O-CB 3.23Å; E877-S881 WeakPolarHBondContact O-CB 3.5Å; E877-S881 PolarHBondContact O-N 3.36Å; E877-S881 PolarHBondContact O-OG 3.25Å |
| 878 | A | 91.4 | Very high | 89.6 | Confident | 61 Ų | 61 | 70.8 Ų | 70.8 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R874 I876 E882 | R874-A878 VanDerWaalsContact O-CB 3.25Å; R874-A878 WeakPolarHBondContact O-CB 3.27Å; R874-A878 PolarHBondContact O-N 3.43Å; I876-A878 PolarHBondContact O-N 3.02Å; A878-E882 WeakPolarHBondContact O-CB 3.27Å; A878-E882 PolarHBondContact O-N 2.68Å |
| 879 | F | 91.8 | Very high | 88.2 | Confident | 30 Ų | 30 | 72.6 Ų | 72.6 | 13% | 0.132 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 176.9 | -177.7 | -82.9 | 0 | 0 | 0 | 112.1 | R617 K620 R621 L624 E875 I876 S883 | R617-F879 HydrophobicContact CG-CE1 4.2Å; R617-F879 HydrophobicContact CG-CZ 4.05Å; R617-F879 PolarHBondContact NH2-O 3.1Å; K620-F879 HydrophobicContact CB-CE2 3.88Å; K620-F879 HydrophobicContact CB-CZ 3.78Å; R621-F879 HydrophobicContact CB-CD1 4.35Å; R621-F879 HydrophobicContact CB-CE1 3.62Å; R621-F879 HydrophobicContact CB-CZ 4.11Å; R621-F879 HydrophobicContact CG-CD1 4.09Å; R621-F879 HydrophobicContact CG-CE1 3.83Å; L624-F879 HydrophobicContact CD2-CB 3.92Å; L624-F879 HydrophobicContact CD2-CD2 4.22Å; L624-F879 HydrophobicContact CD2-CG 4.05Å; E875-F879 VanDerWaalsContact O-CB 3.31Å; E875-F879 WeakPolarHBondContact O-CB 3.42Å; E875-F879 PolarHBondContact O-N 3.5Å; I876-F879 PolarHBondContact O-N 3.2Å; F879-S883 PolarHBondContact O-N 2.88Å; F879-S883 PolarHBondContact O-OG 3.4Å |
| 880 | D | 87.8 | Confident | 86.5 | Confident | 16 Ų | 16 | 72.1 Ų | 72.1 | 9% | 0.086 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.8 | -37.1 | -180 | -72.5 | -15.2 | 0 | 0 | 0 | 111.2 | R621 I876 E877 S883 L884 | R621-D880 IonicContact CZ-OD1 3.75Å; R621-D880 IonicContact CZ-OD2 2.68Å; R621-D880 IonicContact NE-OD1 3.41Å; R621-D880 PolarHBondContact NE-OD1 3Å; R621-D880 IonicContact NE-OD2 3.32Å; R621-D880 PolarHBondContact NE-OD2 3.42Å; R621-D880 IonicContact NH2-OD1 3.78Å; R621-D880 IonicContact NH2-OD2 3.37Å; R621-D880 PolarHBondContact NH2-OD2 3.09Å; I876-D880 PolarHBondContact O-N 3.49Å; E877-D880 PolarHBondContact O-N 3.32Å; D880-S883 WeakPolarHBondContact O-CB 3.5Å; D880-S883 PolarHBondContact O-N 3.49Å; D880-L884 PolarHBondContact O-N 3.33Å |
| 881 | S | 87.9 | Confident | 84.7 | Confident | 69 Ų | 69 | 74.3 Ų | 74.3 | 48% | 0.483 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 173.4 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | E877 S883 L884 R885 | E877-S881 VanDerWaalsContact O-CB 3.23Å; E877-S881 WeakPolarHBondContact O-CB 3.5Å; E877-S881 PolarHBondContact O-N 3.36Å; E877-S881 PolarHBondContact O-OG 3.25Å; S881-S883 VanDerWaalsContact C-N 3.33Å; S881-L884 PolarHBondContact O-N 3.01Å; S881-R885 PolarHBondContact O-N 3.34Å |
| 882 | E | 87.9 | Confident | 82.9 | Confident | 84 Ų | 84 | 73.1 Ų | 73.1 | 39% | 0.393 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 171.9 | -178.4 | -172.8 | -131.5 | 0 | 0 | 111.1 | R617 A878 L884 R885 L886 | R617-E882 IonicContact CZ-OE2 3.75Å; R617-E882 IonicContact NH1-OE2 2.84Å; R617-E882 PolarHBondContact NH1-OE2 3.4Å; R617-E882 IonicContact NH2-OE2 3.88Å; R617-E882 PolarHBondContact NH2-OE2 3.4Å; A878-E882 WeakPolarHBondContact O-CB 3.27Å; A878-E882 PolarHBondContact O-N 2.68Å; E882-L884 VanDerWaalsContact C-N 3.32Å; E882-L884 PolarHBondContact O-N 2.83Å; E882-R885 PolarHBondContact O-N 2.92Å; E882-L886 HydrophobicContact CG-CD1 4.18Å; E882-L886 WeakPolarHBondContact O-CG 3.36Å; E882-L886 PolarHBondContact O-N 3.33Å |
| 883 | S | 86.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 177.5 | -49.8 | 0 | 0 | 0 | 0 | 111.8 | R617 F879 D880 S881 L886 G887 F888 | R617-S883 PolarHBondContact NE-OG 2.6Å; R617-S883 PolarHBondContact NH2-OG 2.76Å; F879-S883 PolarHBondContact O-N 2.88Å; F879-S883 PolarHBondContact O-OG 3.4Å; D880-S883 WeakPolarHBondContact O-CB 3.5Å; D880-S883 PolarHBondContact O-N 3.49Å; S881-S883 VanDerWaalsContact C-N 3.33Å; S883-L886 CarbonylContact O-C 3.35Å; S883-L886 PolarHBondContact O-N 2.95Å; S883-G887 PolarHBondContact O-N 2.79Å; S883-F888 WeakPolarHBondContact O-CB 3.26Å; S883-F888 PolarHBondContact O-N 3.48Å |
| 884 | L | 84.3 | Confident | 79.4 | Confident | 109 Ų | 109 | 73.7 Ų | 73.7 | 57% | 0.571 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 176.1 | -172.6 | 67.1 | 0 | 0 | 0 | 111.6 | D880 S881 E882 L886 G887 F888 | D880-L884 PolarHBondContact O-N 3.33Å; S881-L884 PolarHBondContact O-N 3.01Å; E882-L884 VanDerWaalsContact C-N 3.32Å; E882-L884 PolarHBondContact O-N 2.83Å; L884-L886 PolarHBondContact O-N 2.71Å; L884-G887 PolarHBondContact O-N 3.43Å; L884-F888 WeakPolarHBondContact CA-O 3.48Å |
| 885 | R | 85.7 | Confident | 77.1 | Confident | 196 Ų | 196 | 71.6 Ų | 71.6 | 74% | 0.74 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.7 | -28.7 | 174.3 | -169.3 | -177.3 | 67.4 | 160.7 | -2.2 | 112.9 | S881 E882 G887 | S881-R885 PolarHBondContact O-N 3.34Å; E882-R885 PolarHBondContact O-N 2.92Å; R885-G887 VanDerWaalsContact C-N 3.25Å; R885-G887 PolarHBondContact O-N 3.13Å |
| 886 | L | 82.6 | Confident | 75 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 4.3 | 173.6 | -66.3 | 169.9 | 0 | 0 | 0 | 113.4 | E882 S883 L884 F888 | E882-L886 HydrophobicContact CG-CD1 4.18Å; E882-L886 WeakPolarHBondContact O-CG 3.36Å; E882-L886 PolarHBondContact O-N 3.33Å; S883-L886 CarbonylContact O-C 3.35Å; S883-L886 PolarHBondContact O-N 2.95Å; L884-L886 PolarHBondContact O-N 2.71Å; L886-F888 HydrophobicContact CB-CD2 3.82Å; L886-F888 HydrophobicContact CB-CE2 3.82Å |
| 887 | G | 78.1 | Confident | 72 | Confident | 65 Ų | 65 | 78.4 Ų | 78.4 | 67% | 0.67 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | 4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S883 L884 R885 | S883-G887 PolarHBondContact O-N 2.79Å; L884-G887 PolarHBondContact O-N 3.43Å; R885-G887 VanDerWaalsContact C-N 3.25Å; R885-G887 PolarHBondContact O-N 3.13Å |
| 888 | F | 77.4 | Confident | 69.9 | Low | 35 Ų | 35 | 78 Ų | 78 | 15% | 0.154 | 45% | 0.451 | C | S | . | . | trans | -91.1 | 111.1 | 179.1 | -55.4 | -67.6 | 0 | 0 | 0 | 111 | E613 L614 R617 S883 L884 L886 L893 | E613-F888 HydrophobicContact CB-CZ 3.85Å; L614-F888 HydrophobicContact CB-CD1 4.14Å; L614-F888 HydrophobicContact CB-CE1 3.88Å; L614-F888 HydrophobicContact CD1-CD1 3.75Å; L614-F888 HydrophobicContact CD1-CE1 4.36Å; L614-F888 HydrophobicContact CD1-CG 4.41Å; R617-F888 HydrophobicContact CG-CD2 4.4Å; S883-F888 WeakPolarHBondContact O-CB 3.26Å; S883-F888 PolarHBondContact O-N 3.48Å; L884-F888 WeakPolarHBondContact CA-O 3.48Å; L886-F888 HydrophobicContact CB-CD2 3.82Å; L886-F888 HydrophobicContact CB-CE2 3.82Å; F888-L893 HydrophobicContact CB-CD1 4.03Å; F888-L893 HydrophobicContact CB-CD2 4.3Å; F888-L893 HydrophobicContact CB-CG 4.31Å | ||
| 889 | S | 66.6 | Low | 67 | Low | 63 Ų | 63 | 82.7 Ų | 82.7 | 44% | 0.441 | 47% | 0.467 | S | S | . | . | trans | -63.2 | 137.7 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | M891 V892 L893 | S889-M891 VanDerWaalsContact C-N 3.28Å; S889-M891 PolarHBondContact O-N 2.97Å; S889-V892 WeakPolarHBondContact O-CB 3.43Å; S889-V892 PolarHBondContact O-N 3.09Å; S889-L893 PolarHBondContact O-N 2.91Å | ||
| 890 | N | 58.7 | Low | 64.2 | Low | 70 Ų | 70 | 86.1 Ų | 86.1 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -31.7 | -172.5 | -152.8 | -5.1 | 0 | 0 | 0 | 112.8 | V892 L893 T894 | N890-V892 VanDerWaalsContact C-N 3.25Å; N890-V892 PolarHBondContact O-N 3.1Å; N890-L893 PolarHBondContact O-N 3.04Å; N890-T894 PolarHBondContact O-N 2.98Å; N890-T894 PolarHBondContact O-OG1 2.88Å |
| 891 | M | 56.4 | Low | 61.6 | Low | 140 Ų | 140 | 94.9 Ų | 94.9 | 69% | 0.69 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.6 | -31.1 | 170.9 | -81.7 | -174.6 | 68.5 | 0 | 0 | 113.5 | S889 T894 N895 | S889-M891 VanDerWaalsContact C-N 3.28Å; S889-M891 PolarHBondContact O-N 2.97Å; M891-T894 WeakPolarHBondContact CA-OG1 2.77Å; M891-T894 PolarHBondContact O-OG1 3.25Å; M891-N895 PolarHBondContact O-N 3.04Å |
| 892 | V | 58.8 | Low | 58.9 | Low | 54 Ų | 54 | 95.6 Ų | 95.6 | 33% | 0.327 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.9 | -31.6 | -178.6 | -170.7 | 0 | 0 | 0 | 0 | 110.3 | L614 R618 S889 N890 | L614-V892 HydrophobicContact CD1-CG1 3.82Å; L614-V892 HydrophobicContact CD2-CG1 3.76Å; L614-V892 HydrophobicContact CG-CG1 4.41Å; R618-V892 PolarHBondContact NE-O 3.11Å; R618-V892 PolarHBondContact NH1-O 3.34Å; R618-V892 PolarHBondContact NH2-O 2.99Å; R618-V892 VanDerWaalsContact NH2-O 3.16Å; S889-V892 WeakPolarHBondContact O-CB 3.43Å; S889-V892 PolarHBondContact O-N 3.09Å; N890-V892 VanDerWaalsContact C-N 3.25Å; N890-V892 PolarHBondContact O-N 3.1Å |
| 893 | L | 57.9 | Low | 56.3 | Low | 11 Ų | 11 | 95 Ų | 95 | 6% | 0.058 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -80.3 | -20.9 | 179.4 | -61.5 | 167.5 | 0 | 0 | 0 | 113.3 | L614 R617 R618 F888 S889 N890 | L614-L893 HydrophobicContact CD1-CD2 3.93Å; R617-L893 HydrophobicContact CB-CD2 4.06Å; R617-L893 HydrophobicContact CG-CD2 3.97Å; R618-L893 HydrophobicContact CG-CD2 4.16Å; F888-L893 HydrophobicContact CB-CD1 4.03Å; F888-L893 HydrophobicContact CB-CD2 4.3Å; F888-L893 HydrophobicContact CB-CG 4.31Å; S889-L893 PolarHBondContact O-N 2.91Å; N890-L893 PolarHBondContact O-N 3.04Å |
| 894 | T | 56.4 | Low | 53.6 | Low | 66 Ų | 66 | 107.7 Ų | 107.7 | 41% | 0.405 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -95.2 | -14 | 178.7 | 48.5 | 0 | 0 | 0 | 0 | 114.4 | N890 M891 L896 | N890-T894 PolarHBondContact O-N 2.98Å; N890-T894 PolarHBondContact O-OG1 2.88Å; M891-T894 WeakPolarHBondContact CA-OG1 2.77Å; M891-T894 PolarHBondContact O-OG1 3.25Å; T894-L896 PolarHBondContact O-N 3.4Å |
| 895 | N | 45.8 | Very low | 51.1 | Low | 103 Ų | 103 | 106.4 Ų | 106.4 | 55% | 0.551 | 63% | 0.63 | S | S | * | * | trans | -64.4 | 93.3 | 178.4 | -98.3 | -13.5 | 0 | 0 | 0 | 112.6 | R618 M891 | R618-N895 PolarHBondContact NH1-O 2.74Å; M891-N895 PolarHBondContact O-N 3.04Å | ||
| 896 | L | 49.5 | Very low | 48.4 | Very low | 154 Ų | 154 | 101 Ų | 101 | 81% | 0.806 | 64% | 0.636 | S | S | * | * | trans | -101.7 | 89.8 | 169.1 | -77.9 | 162.9 | 0 | 0 | 0 | 109.3 | T894 | T894-L896 PolarHBondContact O-N 3.4Š| ||
| 897 | A | 28.4 | Very low | 45.9 | Very low | 94 Ų | 94 | 100.5 Ų | 100.5 | 78% | 0.777 | 65% | 0.653 | S | S | * | * | trans | -123.8 | 117.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 898 | P | 48.9 | Very low | 43.7 | Very low | 124 Ų | 124 | 101.2 Ų | 101.2 | 81% | 0.805 | 66% | 0.661 | S | S | * | * | trans | -95.1 | 122.9 | 177.3 | 33.5 | -28.1 | 0 | 0 | 0 | 110.9 | ||||
| 899 | D | 30.2 | Very low | 41.5 | Very low | 159 Ų | 159 | 103.6 Ų | 103.6 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | trans | -157.6 | 160.6 | 164.7 | -127.1 | -36.4 | 0 | 0 | 0 | 115.3 | ||||
| 900 | S | 31.8 | Very low | 39.9 | Very low | 102 Ų | 102 | 104.7 Ų | 104.7 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | trans | 52 | 63.8 | 164.9 | 60.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 901 | Q | 34.5 | Very low | 38.4 | Very low | 200 Ų | 200 | 105.4 Ų | 105.4 | 94% | 0.935 | 74% | 0.741 | S | S | * | * | 59.5 | 113.6 | 114.4 | -167.8 | 171.6 | 8.6 | 0 | 0 | 121.2 | |||||
| 902 | G | 29.8 | Very low | 37.2 | Very low | 83 Ų | 83 | 102.5 Ų | 102.5 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | -171.5 | 67.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 903 | G | 33.3 | Very low | 35.7 | Very low | 72 Ų | 72 | 109.3 Ų | 109.3 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -90.2 | 137.4 | -156.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 904 | W | 29.8 | Very low | 34.3 | Very low | 267 Ų | 267 | 112.8 Ų | 112.8 | 100% | 1.011 | 81% | 0.813 | S | S | * | * | trans | -125.4 | 141.5 | 136.5 | -68.8 | 55.3 | 0 | 0 | 0 | 105.5 | ||||
| 905 | G | 33.3 | Very low | 33 | Very low | 81 Ų | 81 | 113 Ų | 113 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | cis | 154.4 | 68.6 | -0.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 906 | G | 28.5 | Very low | 32.1 | Very low | 83 Ų | 83 | 118 Ų | 118 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | trans | 165.3 | 104.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 907 | G | 30.4 | Very low | 30.9 | Very low | 84 Ų | 84 | 114.5 Ų | 114.5 | 87% | 0.866 | 85% | 0.849 | S | S | * | * | trans | 98.5 | 91.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 908 | G | 30.8 | Very low | 30.7 | Very low | 80 Ų | 80 | 113.2 Ų | 113.2 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | trans | -82.4 | 174.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 909 | G | 31.9 | Very low | 29.7 | Very low | 86 Ų | 86 | 112.5 Ų | 112.5 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | cis | 97.7 | 135.7 | 15.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 910 | G | 32.2 | Very low | 29.4 | Very low | 85 Ų | 85 | 113.4 Ų | 113.4 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | cis | 171 | -170 | -0.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 911 | G | 28 | Very low | 29.4 | Very low | 86 Ų | 86 | 120 Ų | 120 | 89% | 0.887 | 85% | 0.851 | S | S | * | * | trans | 114.9 | 141.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 912 | G | 30.1 | Very low | 29.7 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | cis | 121.5 | 136.3 | 7.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 913 | Q | 28.7 | Very low | 29.5 | Very low | 198 Ų | 198 | 116 Ų | 116 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | cis | -134.4 | 163.2 | 8.4 | -61.3 | 161.2 | 21.4 | 0 | 0 | 107.7 | ||||
| 914 | G | 28 | Very low | 29.2 | Very low | 83 Ų | 83 | 116.6 Ų | 116.6 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | 72.4 | 119.2 | 66 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 915 | G | 28.3 | Very low | 29.1 | Very low | 70 Ų | 70 | 107.9 Ų | 107.9 | 72% | 0.722 | 84% | 0.84 | S | S | * | * | cis | 172 | -170.3 | -3.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 916 | Q | 26.9 | Very low | 28.8 | Very low | 210 Ų | 210 | 108.1 Ų | 108.1 | 98% | 0.981 | 84% | 0.843 | S | S | * | * | trans | 74.9 | 146.8 | 174.8 | -50 | -174.5 | 16.8 | 0 | 0 | 119.5 | ||||
| 917 | G | 25.1 | Very low | 28.7 | Very low | 79 Ų | 79 | 108.3 Ų | 108.3 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | trans | 116.8 | 82.9 | 135 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 918 | G | 24.8 | Very low | 28.6 | Very low | 68 Ų | 68 | 107.8 Ų | 107.8 | 70% | 0.701 | 84% | 0.839 | S | S | * | * | trans | 64.8 | 122.1 | 130 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 919 | S | 26.9 | Very low | 28.5 | Very low | 109 Ų | 109 | 109.1 Ų | 109.1 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | trans | 65.2 | 144.2 | 130.1 | 56.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 920 | Q | 24.3 | Very low | 28.3 | Very low | 178 Ų | 178 | 112.1 Ų | 112.1 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | 81.4 | 153.4 | 153.8 | -118.8 | 74.8 | 27.5 | 0 | 0 | 121.1 | ||||
| 921 | W | 31.8 | Very low | 28.1 | Very low | 239 Ų | 239 | 116 Ų | 116 | 91% | 0.905 | 82% | 0.821 | S | S | * | * | trans | -79.7 | 156.3 | 172.2 | -65.4 | 41.7 | 0 | 0 | 0 | 110.5 | ||||
| 922 | P | 40.1 | Very low | 28.1 | Very low | 129 Ų | 129 | 116 Ų | 116 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | -139.6 | -179.8 | 89.7 | 24.6 | -2.8 | 0 | 0 | 0 | 113 | |||||
| 923 | G | 26.9 | Very low | 28 | Very low | 71 Ų | 71 | 120.3 Ų | 120.3 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | cis | 125.8 | 37.1 | 0.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 924 | G | 27.4 | Very low | 28 | Very low | 84 Ų | 84 | 118.9 Ų | 118.9 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 85 | 140.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 925 | G | 27.1 | Very low | 28.1 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | 104 | 149.8 | 148.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 926 | G | 26.7 | Very low | 28.1 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 96.4 | 102.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 927 | G | 26.5 | Very low | 28.3 | Very low | 87 Ų | 87 | 117 Ų | 117 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -93.4 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 928 | G | 27.2 | Very low | 28.6 | Very low | 73 Ų | 73 | 119 Ų | 119 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | 162.4 | 95.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 929 | S | 29 | Very low | 28.8 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 59.5 | 114.4 | 131.1 | -60.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 930 | H | 28.6 | Very low | 29.1 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | 74.7 | 126.4 | 125.9 | -76.8 | -90.4 | 0 | 0 | 0 | 123.7 | |||||
| 931 | H | 27.8 | Very low | 29.5 | Very low | 165 Ų | 165 | 119.5 Ų | 119.5 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | 71.1 | 150.2 | 142.1 | -66.3 | -38.7 | 0 | 0 | 0 | 120.3 | ||||
| 932 | S | 27.3 | Very low | 29.7 | Very low | 88 Ų | 88 | 115.8 Ų | 115.8 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | cis | -166.5 | 164.7 | -13.2 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 933 | H | 28.4 | Very low | 30 | Very low | 167 Ų | 167 | 113.7 Ų | 113.7 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 54.5 | 117 | 155.6 | -69.1 | -60.7 | 0 | 0 | 0 | 122.6 | ||||
| 934 | H | 28 | Very low | 30.2 | Very low | 169 Ų | 169 | 120.5 Ų | 120.5 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | -177.8 | 166.5 | 102.5 | -102.3 | -86.9 | 0 | 0 | 0 | 109.8 | |||||
| 935 | Q | 30.8 | Very low | 30.3 | Very low | 165 Ų | 165 | 119.4 Ų | 119.4 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | -163.8 | 136 | -55.6 | -179.8 | 179.7 | 30.6 | 0 | 0 | 110.4 | |||||
| 936 | G | 28.3 | Very low | 30.4 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 81% | 0.814 | 75% | 0.754 | S | S | * | * | trans | 83 | 143.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 937 | G | 30.5 | Very low | 31.7 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | cis | -179.6 | 169.8 | -5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 938 | S | 31.7 | Very low | 32 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | cis | -123 | -128.7 | 4.8 | 57.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 939 | S | 30.5 | Very low | 32.3 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | cis | -147 | -168.8 | 11 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 940 | S | 33 | Very low | 32.5 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | trans | -83.2 | 156.8 | -177.1 | 43.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 941 | Q | 31.7 | Very low | 32.5 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | cis | -163.3 | 133.2 | 2.8 | -110.4 | 161.2 | 26.5 | 0 | 0 | 107.4 | ||||
| 942 | Q | 36.1 | Very low | 32.4 | Very low | 161 Ų | 161 | 123.6 Ų | 123.6 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | 74.8 | 159.1 | 89.6 | -81 | -147 | -11.3 | 0 | 0 | 117.1 | |||||
| 943 | P | 47.3 | Very low | 33.4 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 55% | 0.545 | 77% | 0.765 | S | S | . | * | cis | -151.9 | 178.1 | -35.6 | 43.6 | -26.2 | 0 | 0 | 0 | 118.1 | ||||
| 944 | W | 31.3 | Very low | 35.2 | Very low | 214 Ų | 214 | 122.8 Ų | 122.8 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 58.4 | 145.8 | 155.9 | -50.1 | 121.4 | 0 | 0 | 0 | 121.7 | ||||
| 945 | G | 28.7 | Very low | 36.6 | Very low | 62 Ų | 62 | 119.9 Ų | 119.9 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | cis | 160.9 | 145.9 | -15.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 946 | H | 29.4 | Very low | 36.8 | Very low | 167 Ų | 167 | 123.6 Ų | 123.6 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 67.4 | 173.9 | 151 | -68.5 | -68.7 | 0 | 0 | 0 | 121.1 | ||||
| 947 | P | 53.6 | Low | 37.1 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | -145.5 | -175.7 | -64.7 | 45.7 | -28.7 | 0 | 0 | 0 | 117.5 | |||||
| 948 | M | 33.2 | Very low | 37.3 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 77% | 0.768 | 75% | 0.748 | S | S | * | * | trans | 74.3 | 125.2 | 158.2 | -59.2 | -44.9 | 179.1 | 0 | 0 | 120.2 | ||||
| 949 | L | 32.8 | Very low | 37.2 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | 66.6 | 143 | 84.6 | -60.8 | 179.5 | 0 | 0 | 0 | 116.2 | |||||
| 950 | A | 33.3 | Very low | 37.4 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | cis | -175.2 | 165.5 | -17.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 951 | G | 28.1 | Very low | 38.5 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | trans | 119 | 145.6 | 149 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 952 | G | 27 | Very low | 38.5 | Very low | 77 Ų | 77 | 128.4 Ų | 128.4 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | 129.8 | 116.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 953 | P | 47.6 | Very low | 38.2 | Very low | 131 Ų | 131 | 125 Ų | 125 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -127.1 | -144.3 | -171.3 | 43.7 | -25.7 | 0 | 0 | 0 | 115.7 | ||||
| 954 | P | 66.4 | Low | 37.2 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | -123.3 | -162.3 | -121.3 | 39.2 | -16.1 | 0 | 0 | 0 | 114.3 | |||||
| 955 | P | 57.8 | Low | 37.2 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | -156.9 | 145.2 | 88.4 | 38.7 | -18 | 0 | 0 | 0 | 119.7 | |||||
| 956 | W | 34.9 | Very low | 37.3 | Very low | 243 Ų | 243 | 125.4 Ų | 125.4 | 92% | 0.92 | 78% | 0.781 | S | S | * | * | trans | 69.1 | 150.2 | 135.9 | -70.9 | 44.3 | 0 | 0 | 0 | 119.6 | ||||
| 957 | S | 35.4 | Very low | 37.3 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | cis | -166.4 | -177.9 | -6.9 | 50.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 958 | L | 32.8 | Very low | 36.2 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | cis | -128.7 | -91.6 | 13.1 | -68.2 | 84.6 | 0 | 0 | 0 | 114.7 | ||||
| 959 | H | 30.8 | Very low | 36 | Very low | 161 Ų | 161 | 126 Ų | 126 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -146.1 | 161.4 | -146.6 | -69.5 | -10 | 0 | 0 | 0 | 113.9 | ||||
| 960 | H | 34.4 | Very low | 35.9 | Very low | 174 Ų | 174 | 127.8 Ų | 127.8 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | cis | 82.8 | 167.4 | 20.3 | -69.8 | -56.7 | 0 | 0 | 0 | 116.9 | ||||
| 961 | P | 56.7 | Low | 35.6 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -117.9 | -160.9 | -19.2 | 38.2 | -21.1 | 0 | 0 | 0 | 110.5 | ||||
| 962 | G | 31.1 | Very low | 35.6 | Very low | 77 Ų | 77 | 126.9 Ų | 126.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | cis | 104.9 | 127.4 | -4.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 963 | G | 29.1 | Very low | 35.7 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | cis | 150.3 | 103.7 | -20.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 964 | G | 27.8 | Very low | 34.8 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 135.1 | 158.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 965 | S | 30.6 | Very low | 33 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 82.6 | 120.7 | 150.3 | -132.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 966 | Q | 31.3 | Very low | 31.8 | Very low | 180 Ų | 180 | 125.3 Ų | 125.3 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | 33 | 130 | 140.8 | -61.3 | -176.2 | -6.7 | 0 | 0 | 124 | ||||
| 967 | R | 28.8 | Very low | 31.6 | Very low | 238 Ų | 238 | 124.2 Ų | 124.2 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | -169.9 | 136.2 | 112.4 | -114.5 | -178.7 | 177.8 | -165.3 | -1.6 | 117.7 | |||||
| 968 | S | 30.2 | Very low | 31.4 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | trans | 47.5 | 119.6 | 142.4 | 61.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 969 | S | 28.2 | Very low | 31.6 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | 79.8 | 144.2 | 124.6 | 72.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 970 | Q | 31.7 | Very low | 32.6 | Very low | 196 Ų | 196 | 124.6 Ų | 124.6 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | 65.3 | 150 | 175.2 | -54.3 | -176.2 | 10.9 | 0 | 0 | 115.2 | ||||
| 971 | G | 27.7 | Very low | 32.5 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | cis | 152.1 | 139.9 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 972 | G | 27.4 | Very low | 31.3 | Very low | 87 Ų | 87 | 123.7 Ų | 123.7 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | 93.5 | 140.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 973 | A | 29.7 | Very low | 31.4 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 93% | 0.934 | 81% | 0.814 | S | S | * | * | trans | -96.9 | 168.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 974 | G | 28.3 | Very low | 31.6 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -179.2 | -18.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 975 | G | 28.3 | Very low | 31.9 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 53.1 | -158.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 976 | V | 31.5 | Very low | 32 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | 77.5 | 105.2 | 169.7 | -170.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 977 | R | 32.3 | Very low | 32.1 | Very low | 220 Ų | 220 | 135.8 Ų | 135.8 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | 42 | 133.8 | 141.6 | -56.7 | 177.6 | 174.7 | -176.1 | -1.9 | 120.3 | ||||
| 978 | N | 30.3 | Very low | 32.4 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | -168.8 | 160 | 79.8 | -98 | -33.5 | 0 | 0 | 0 | 113.6 | |||||
| 979 | S | 37 | Very low | 32.4 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -95.9 | 168.7 | 160.7 | -50.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 980 | P | 51.1 | Low | 32.7 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | -144.4 | 177.3 | 114.1 | 38.2 | -23.9 | 0 | 0 | 0 | 116.4 | |||||
| 981 | Q | 33.2 | Very low | 32.9 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -48.7 | 148.8 | 175.3 | -62.5 | 141.4 | -11.9 | 0 | 0 | 113.6 | ||||
| 982 | A | 32.1 | Very low | 33.1 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | 80.9 | 119.5 | 35.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 983 | M | 32.7 | Very low | 33.4 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | 178.3 | 122.2 | 150.3 | -92.6 | -95.4 | -171.2 | 0 | 0 | 112.1 | ||||
| 984 | R | 33.4 | Very low | 33.7 | Very low | 206 Ų | 206 | 133.9 Ų | 133.9 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | 53.5 | 151.8 | 133.2 | -66.1 | -174.7 | -169.1 | -107 | 2.8 | 120.4 | ||||
| 985 | R | 33.8 | Very low | 33.8 | Very low | 209 Ų | 209 | 133.5 Ų | 133.5 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | cis | -161.4 | 136.8 | 29.1 | -133.4 | 168.4 | -157.9 | -137 | 7.5 | 110.3 | ||||
| 986 | T | 33.2 | Very low | 34 | Very low | 116 Ų | 116 | 138 Ų | 138 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | 51 | 148.4 | 128.6 | 59.3 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 987 | S | 33.8 | Very low | 33.9 | Very low | 96 Ų | 96 | 136.5 Ų | 136.5 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | cis | -170.4 | 159.4 | 8.6 | 28.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 988 | S | 34.5 | Very low | 33.9 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | 62.4 | 142.1 | 146 | 56.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 989 | G | 30.7 | Very low | 33.9 | Very low | 76 Ų | 76 | 135.2 Ų | 135.2 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | cis | -171.8 | 150.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 990 | G | 33.6 | Very low | 33.6 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | 92 | 138.4 | 79.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 991 | R | 35.4 | Very low | 32.8 | Very low | 214 Ų | 214 | 134.6 Ų | 134.6 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | cis | -152 | -178.3 | 9.5 | -124 | -174.1 | 120.8 | 168 | -1.6 | 106.7 | E993 | R991-E993 IonicContact CZ-OE2 2.69Å; R991-E993 VanDerWaalsContact CZ-OE2 3.28Å; R991-E993 IonicContact NE-OE2 3.16Å; R991-E993 PolarHBondContact NE-OE2 3.27Å; R991-E993 VanDerWaalsContact NE-OE2 3.09Å; R991-E993 IonicContact NH2-OE1 2.69Å; R991-E993 IonicContact NH2-OE2 2.68Å; R991-E993 PolarHBondContact NH2-OE2 3.44Å | ||
| 992 | S | 33.1 | Very low | 32.7 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 57% | 0.573 | 77% | 0.765 | S | S | * | * | cis | -171 | 135.2 | -0.1 | 38.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 993 | E | 34.1 | Very low | 32.7 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 58% | 0.579 | 77% | 0.767 | S | S | * | * | trans | 68.2 | 152.8 | 130.5 | -62.9 | 175.4 | 105.1 | 0 | 0 | 120.6 | R991 | R991-E993 IonicContact CZ-OE2 2.69Å; R991-E993 VanDerWaalsContact CZ-OE2 3.28Å; R991-E993 IonicContact NE-OE2 3.16Å; R991-E993 PolarHBondContact NE-OE2 3.27Å; R991-E993 VanDerWaalsContact NE-OE2 3.09Å; R991-E993 IonicContact NH2-OE1 2.69Å; R991-E993 IonicContact NH2-OE2 2.68Å; R991-E993 PolarHBondContact NH2-OE2 3.44Å | ||
| 994 | Q | 34.9 | Very low | 32.5 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | -157.5 | 166.2 | 1.1 | -128.7 | 174.7 | 48.5 | 0 | 0 | 112.6 | ||||
| 995 | G | 30.8 | Very low | 32.3 | Very low | 63 Ų | 63 | 131.3 Ų | 131.3 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | 108.8 | 112.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 996 | M | 32.7 | Very low | 32.2 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | 72.8 | 123.8 | 52.4 | -60.1 | -177.6 | 74.8 | 0 | 0 | 112.7 | |||||
| 997 | S | 30 | Very low | 31.8 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | cis | -156.9 | 154.1 | 14.4 | -77.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 998 | R | 31 | Very low | 31.6 | Very low | 229 Ų | 229 | 131.1 Ų | 131.1 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 49.5 | 111.8 | 139.1 | -64.1 | 176.5 | 178.9 | -179 | -0.9 | 122.6 | ||||
| 999 | S | 31.3 | Very low | 31.2 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | 38.9 | 121.6 | 116.2 | -44.4 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1000 | A | 30.1 | Very low | 31.2 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | -162.9 | 137.6 | 125.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1001 | S | 33.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -117.1 | 130.2 | 165.8 | -54.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1002 | I | 31.1 | Very low | 31 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -130.7 | 119 | 175.8 | -66.2 | -177.6 | 0 | 0 | 0 | 110 | ||||
| 1003 | T | 31.9 | Very low | 30.9 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -79.5 | 142.3 | 165.6 | -44.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1004 | S | 29.6 | Very low | 30.9 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -131.5 | 148 | 163.1 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1005 | Q | 29.6 | Very low | 31 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | trans | -121.1 | 153.4 | -172.8 | -91.2 | -172.2 | -17.8 | 0 | 0 | 110.7 | ||||
| 1006 | I | 30.4 | Very low | 31 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 72% | 0.723 | 84% | 0.836 | S | S | * | * | trans | 51.9 | 120.1 | 145.4 | -58.9 | 162.4 | 0 | 0 | 0 | 117.4 | ||||
| 1007 | S | 26.6 | Very low | 30.9 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | trans | -145.9 | 125.5 | 140.1 | -168.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1008 | N | 28.6 | Very low | 30.9 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 85% | 0.85 | 85% | 0.845 | S | S | * | * | trans | -86.9 | 141.1 | 166 | -85.8 | -18.1 | 0 | 0 | 0 | 108.7 | ||||
| 1009 | G | 26.9 | Very low | 30.9 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | -145.9 | 71.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1010 | S | 30.8 | Very low | 30.9 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 84% | 0.844 | S | S | * | * | trans | -83.7 | 129.3 | 173.8 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1011 | H | 30.6 | Very low | 31 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 88% | 0.875 | 85% | 0.849 | S | S | * | * | trans | -148.7 | 130.5 | 155.2 | -117.8 | -78.8 | 0 | 0 | 0 | 112.6 | ||||
| 1012 | L | 33.6 | Very low | 30.8 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -106.4 | 137.7 | 167 | -87.9 | 149.1 | 0 | 0 | 0 | 108.1 | ||||
| 1013 | S | 31.5 | Very low | 30.7 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 73% | 0.727 | 85% | 0.85 | S | S | * | * | trans | -172.8 | 118.1 | 150.1 | 52 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1014 | Y | 32.4 | Very low | 30.6 | Very low | 227 Ų | 227 | 148.9 Ų | 148.9 | 89% | 0.89 | 85% | 0.853 | S | S | * | * | trans | 6 | 121.9 | 151.4 | -70.2 | -93.9 | 0 | 0 | 0 | 119.4 | ||||
| 1015 | T | 37.2 | Very low | 30.7 | Very low | 214 Ų | 214 | 151.9 Ų | 151.9 | 100% | 1.313 | 86% | 0.857 | S | S | * | * | -140.7 | 0 | 92.8 | 45.1 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 1,015 of 1,015 residues in 669.7 ms
(Link to these results)