| 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 | 46.5 | Very low | 68.8 | Low | 236 Ų | 236 | 99.1 Ų | 99.1 | 100% | 1.163 | 57% | 0.569 | S | S | * | * | 0 | 122.1 | 0 | -66.3 | 178.9 | 176.7 | 0 | 0 | 106.2 | K3 | M1-K3 PolarHBondContact O-N 3.37Š| |||
| 2 | A | 53.4 | Low | 69.9 | Low | 107 Ų | 107 | 96.9 Ų | 96.9 | 88% | 0.884 | 55% | 0.546 | S | S | * | . | trans | -59.9 | 124 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | K | 55.2 | Low | 70.8 | Confident | 158 Ų | 158 | 97.8 Ų | 97.8 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | trans | -65.6 | 133.8 | 172.9 | -69.3 | -180 | 176.2 | -178.5 | 0 | 107.5 | M1 P5 E8 | M1-K3 PolarHBondContact O-N 3.37Å; K3-P5 VanDerWaalsContact O-CD 3.27Å; K3-P5 WeakPolarHBondContact O-CD 3.46Å; K3-E8 HydrophobicContact CB-CG 4.28Å; K3-E8 WeakPolarHBondContact CD-OE1 3.42Å; K3-E8 IonicContact NZ-OE1 3.83Å | ||
| 4 | D | 71.9 | Confident | 71.5 | Confident | 84 Ų | 84 | 92.4 Ų | 92.4 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | trans | -62.4 | 115.2 | 177.8 | -174.7 | -10.9 | 0 | 0 | 0 | 108.6 | L6 A7 E8 | D4-L6 PolarHBondContact O-N 3.23Å; D4-L6 VanDerWaalsContact O-N 3.13Å; D4-L6 WeakPolarHBondContact OD1-CB 3.35Å; D4-L6 PolarHBondContact OD1-N 2.99Å; D4-L6 VanDerWaalsContact OD1-N 3.08Å; D4-A7 HydrophobicContact CB-CB 3.96Å; D4-A7 PolarHBondContact O-N 3.36Å; D4-E8 PolarHBondContact O-N 3.4Å; D4-E8 VanDerWaalsContact O-N 3.09Å | ||
| 5 | P | 73.8 | Confident | 72.1 | Confident | 97 Ų | 97 | 98.4 Ų | 98.4 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.7 | -26.6 | -177.8 | -19.2 | 29.5 | 0 | 0 | 0 | 112.6 | K3 A9 | K3-P5 VanDerWaalsContact O-CD 3.27Å; K3-P5 WeakPolarHBondContact O-CD 3.46Å; P5-A9 WeakPolarHBondContact O-CB 3.31Å; P5-A9 PolarHBondContact O-N 3.46Å; P5-A9 VanDerWaalsContact O-N 3.17Å |
| 6 | L | 70.3 | Confident | 72.8 | Confident | 69 Ų | 69 | 100 Ų | 100 | 36% | 0.361 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72 | -42.1 | 177 | -72 | 142 | 0 | 0 | 0 | 111 | D4 E8 A9 G10 F11 F13 L19 | D4-L6 PolarHBondContact O-N 3.23Å; D4-L6 VanDerWaalsContact O-N 3.13Å; D4-L6 WeakPolarHBondContact OD1-CB 3.35Å; D4-L6 PolarHBondContact OD1-N 2.99Å; D4-L6 VanDerWaalsContact OD1-N 3.08Å; L6-E8 VanDerWaalsContact C-N 3.34Å; L6-E8 PolarHBondContact O-N 3.43Å; L6-A9 CarbonylContact O-C 3.48Å; L6-A9 PolarHBondContact O-N 3.44Å; L6-A9 VanDerWaalsContact O-N 3.13Å; L6-G10 PolarHBondContact O-N 3.15Å; L6-G10 VanDerWaalsContact O-N 3.15Å; L6-F11 CarbonylContact C-O 3.58Å; L6-F11 HydrophobicContact CB-CB 4.41Å; L6-F11 HydrophobicContact CD2-CB 4.3Å; L6-F11 PolarHBondContact O-N 3.3Å; L6-F11 VanDerWaalsContact O-O 3.05Å; L6-F13 HydrophobicContact CD1-CE2 3.92Å; L6-L19 HydrophobicContact CD2-CD1 4.27Å |
| 7 | A | 69.9 | Low | 73.3 | Confident | 39 Ų | 39 | 102.1 Ų | 102.1 | 32% | 0.322 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -36.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D4 A9 G10 F11 Y12 | D4-A7 HydrophobicContact CB-CB 3.96Å; D4-A7 PolarHBondContact O-N 3.36Å; A7-A9 VanDerWaalsContact C-N 3.28Å; A7-A9 PolarHBondContact O-N 2.9Å; A7-G10 PolarHBondContact O-N 2.97Å; A7-G10 VanDerWaalsContact O-N 3.11Å; A7-F11 PolarHBondContact N-O 3.26Å; A7-Y12 HydrophobicContact CB-CE1 4.41Å |
| 8 | E | 74.8 | Confident | 73.9 | Confident | 131 Ų | 131 | 102.9 Ų | 102.9 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66 | -29.5 | 172.8 | -73.5 | -168 | 156.9 | 0 | 0 | 113 | K3 D4 L6 G10 | K3-E8 HydrophobicContact CB-CG 4.28Å; K3-E8 WeakPolarHBondContact CD-OE1 3.42Å; K3-E8 IonicContact NZ-OE1 3.83Å; D4-E8 PolarHBondContact O-N 3.4Å; D4-E8 VanDerWaalsContact O-N 3.09Å; L6-E8 VanDerWaalsContact C-N 3.34Å; L6-E8 PolarHBondContact O-N 3.43Å; E8-G10 VanDerWaalsContact C-N 3.29Å |
| 9 | A | 79.5 | Confident | 74.5 | Confident | 66 Ų | 66 | 102.5 Ų | 102.5 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 1.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P5 L6 A7 F11 | P5-A9 WeakPolarHBondContact O-CB 3.31Å; P5-A9 PolarHBondContact O-N 3.46Å; P5-A9 VanDerWaalsContact O-N 3.17Å; L6-A9 CarbonylContact O-C 3.48Å; L6-A9 PolarHBondContact O-N 3.44Å; L6-A9 VanDerWaalsContact O-N 3.13Å; A7-A9 VanDerWaalsContact C-N 3.28Å; A7-A9 PolarHBondContact O-N 2.9Å; A9-F11 HydrophobicContact CB-CD2 3.85Å; A9-F11 HydrophobicContact CB-CE2 4.26Å |
| 10 | G | 78.5 | Confident | 74.8 | Confident | 26 Ų | 26 | 103.2 Ų | 103.2 | 27% | 0.268 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 17.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L6 A7 E8 Y12 | L6-G10 PolarHBondContact O-N 3.15Å; L6-G10 VanDerWaalsContact O-N 3.15Å; A7-G10 PolarHBondContact O-N 2.97Å; A7-G10 VanDerWaalsContact O-N 3.11Å; E8-G10 VanDerWaalsContact C-N 3.29Å; G10-Y12 WeakPolarHBondContact O-CE2 3.34Å |
| 11 | F | 82.9 | Confident | 75.2 | Confident | 77 Ų | 77 | 103.8 Ų | 103.8 | 34% | 0.338 | 55% | 0.548 | S | S | . | . | trans | -105.3 | 136.4 | 175.9 | -64 | -76.5 | 0 | 0 | 0 | 111.5 | L6 A7 A9 L19 R20 V21 | L6-F11 CarbonylContact C-O 3.58Å; L6-F11 HydrophobicContact CB-CB 4.41Å; L6-F11 HydrophobicContact CD2-CB 4.3Å; L6-F11 PolarHBondContact O-N 3.3Å; L6-F11 VanDerWaalsContact O-O 3.05Å; A7-F11 PolarHBondContact N-O 3.26Å; A9-F11 HydrophobicContact CB-CD2 3.85Å; A9-F11 HydrophobicContact CB-CE2 4.26Å; F11-L19 HydrophobicContact CB-CD1 3.88Å; F11-L19 HydrophobicContact CB-CG 4.36Å; F11-L19 HydrophobicContact CD1-CD1 4.46Å; F11-L19 HydrophobicContact CD1-CD2 3.95Å; F11-L19 HydrophobicContact CD1-CG 4.07Å; F11-L19 HydrophobicContact CE1-CD2 4.4Å; F11-L19 HydrophobicContact CG-CD1 4.44Å; F11-L19 HydrophobicContact CG-CD2 4.47Å; F11-R20 CarbonylContact C-O 3.56Å; F11-R20 WeakPolarHBondContact CA-O 3.48Å; F11-V21 HydrophobicContact CD1-CG2 4.34Å; F11-V21 HydrophobicContact CE1-CG2 4.13Å | ||
| 12 | Y | 82.6 | Confident | 76.9 | Confident | 73 Ų | 73 | 96.7 Ų | 96.7 | 29% | 0.286 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 150.5 | -177.3 | -54.5 | -87.5 | 0 | 0 | 0 | 109.6 | A7 G10 L19 R20 E23 | A7-Y12 HydrophobicContact CB-CE1 4.41Å; G10-Y12 WeakPolarHBondContact O-CE2 3.34Å; Y12-L19 CarbonylContact O-C 3.15Å; Y12-R20 PolarHBondContact N-O 3.02Å; Y12-R20 PolarHBondContact O-N 3.05Å; Y12-E23 HydrophobicContact CD1-CB 4.32Å; Y12-E23 HydrophobicContact CD1-CG 4.33Å; Y12-E23 HydrophobicContact CD2-CB 4.39Å; Y12-E23 HydrophobicContact CE1-CB 4.28Å; Y12-E23 HydrophobicContact CE1-CG 4.39Å; Y12-E23 HydrophobicContact CE2-CB 4.36Å; Y12-E23 HydrophobicContact CG-CB 4.38Å |
| 13 | F | 81.5 | Confident | 78.4 | Confident | 109 Ų | 109 | 95.8 Ų | 95.8 | 48% | 0.478 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 135 | 168.8 | -74.5 | -76.1 | 0 | 0 | 0 | 109.9 | L6 K18 L19 | L6-F13 HydrophobicContact CD1-CE2 3.92Å; F13-K18 WeakPolarHBondContact CA-O 3.48Å; F13-L19 HydrophobicContact CD1-CD1 4.37Å; F13-L19 HydrophobicContact CE1-CB 4.28Å; F13-L19 HydrophobicContact CE1-CD1 3.87Å; F13-L19 HydrophobicContact CE2-CD1 4.23Å; F13-L19 HydrophobicContact CZ-CD1 3.79Å |
| 14 | D | 80.6 | Confident | 79.8 | Confident | 22 Ų | 22 | 90 Ų | 90 | 12% | 0.118 | 47% | 0.47 | C | S | . | . | trans | -82.6 | 175.1 | 170.6 | 69.8 | 14.5 | 0 | 0 | 0 | 112.4 | L16 N17 K18 R20 P24 | D14-L16 PolarHBondContact O-N 2.96Å; D14-L16 WeakPolarHBondContact OD1-CA 3.38Å; D14-L16 WeakPolarHBondContact OD1-CB 3.29Å; D14-L16 PolarHBondContact OD1-N 3.3Å; D14-N17 PolarHBondContact O-N 2.91Å; D14-N17 PolarHBondContact OD1-N 3.18Å; D14-K18 PolarHBondContact N-O 3.45Å; D14-K18 WeakPolarHBondContact OD1-CB 3.39Å; D14-K18 PolarHBondContact OD1-N 2.93Å; D14-R20 HydrophobicContact CB-CG 4.04Å; D14-R20 IonicContact OD2-CZ 3.88Å; D14-R20 IonicContact OD2-NE 2.84Å; D14-R20 PolarHBondContact OD2-NE 2.95Å; D14-R20 IonicContact OD2-NH2 2.66Å; D14-R20 PolarHBondContact OD2-NH2 3.47Å; D14-P24 HydrophobicContact CB-CB 4.44Å; D14-P24 HydrophobicContact CB-CG 4.08Å | ||
| 15 | E | 80.9 | Confident | 80.4 | Confident | 182 Ų | 182 | 90.2 Ų | 90.2 | 85% | 0.85 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -12.1 | 179.3 | -60.1 | -177.2 | 164.2 | 0 | 0 | 114.1 | ||
| 16 | L | 83.1 | Confident | 81 | Confident | 124 Ų | 124 | 88.5 Ų | 88.5 | 65% | 0.649 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 15.9 | 177.3 | -60.3 | 175.3 | 0 | 0 | 0 | 112.3 | D14 K18 | D14-L16 PolarHBondContact O-N 2.96Å; D14-L16 WeakPolarHBondContact OD1-CA 3.38Å; D14-L16 WeakPolarHBondContact OD1-CB 3.29Å; D14-L16 PolarHBondContact OD1-N 3.3Å; L16-K18 HydrophobicContact CB-CG 4.38Å; L16-K18 PolarHBondContact O-N 3.44Å |
| 17 | N | 81.4 | Confident | 81.7 | Confident | 136 Ų | 136 | 87.6 Ų | 87.6 | 73% | 0.727 | 46% | 0.459 | S | S | * | . | S | Bend | trans | 57.4 | 27.8 | -176.7 | -62.2 | -50 | 0 | 0 | 0 | 114 | D14 | D14-N17 PolarHBondContact O-N 2.91Å; D14-N17 PolarHBondContact OD1-N 3.18Å |
| 18 | K | 83.1 | Confident | 82.6 | Confident | 117 Ų | 117 | 90.5 Ų | 90.5 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | trans | -91.1 | 137.2 | 173.9 | -58.1 | 179.8 | 179.7 | 177.8 | 0 | 109.9 | F13 D14 L16 R20 | F13-K18 WeakPolarHBondContact CA-O 3.48Å; D14-K18 PolarHBondContact N-O 3.45Å; D14-K18 WeakPolarHBondContact OD1-CB 3.39Å; D14-K18 PolarHBondContact OD1-N 2.93Å; L16-K18 HydrophobicContact CB-CG 4.38Å; L16-K18 PolarHBondContact O-N 3.44Å; K18-R20 PolarHBondContact O-N 3.38Å | ||
| 19 | L | 85 | Confident | 83.3 | Confident | 94 Ų | 94 | 90.7 Ų | 90.7 | 49% | 0.492 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 128.6 | 174.9 | -163.7 | 73.9 | 0 | 0 | 0 | 110 | L6 F11 Y12 F13 | L6-L19 HydrophobicContact CD2-CD1 4.27Å; F11-L19 HydrophobicContact CB-CD1 3.88Å; F11-L19 HydrophobicContact CB-CG 4.36Å; F11-L19 HydrophobicContact CD1-CD1 4.46Å; F11-L19 HydrophobicContact CD1-CD2 3.95Å; F11-L19 HydrophobicContact CD1-CG 4.07Å; F11-L19 HydrophobicContact CE1-CD2 4.4Å; F11-L19 HydrophobicContact CG-CD1 4.44Å; F11-L19 HydrophobicContact CG-CD2 4.47Å; Y12-L19 CarbonylContact O-C 3.15Å; F13-L19 HydrophobicContact CD1-CD1 4.37Å; F13-L19 HydrophobicContact CE1-CB 4.28Å; F13-L19 HydrophobicContact CE1-CD1 3.87Å; F13-L19 HydrophobicContact CE2-CD1 4.23Å; F13-L19 HydrophobicContact CZ-CD1 3.79Å |
| 20 | R | 80.5 | Confident | 83.9 | Confident | 117 Ų | 117 | 91.5 Ų | 91.5 | 44% | 0.442 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.6 | -179.6 | -60.9 | -61.8 | -176.3 | 158.8 | 5.1 | 109.9 | F11 Y12 D14 K18 L22 | F11-R20 CarbonylContact C-O 3.56Å; F11-R20 WeakPolarHBondContact CA-O 3.48Å; Y12-R20 PolarHBondContact N-O 3.02Å; Y12-R20 PolarHBondContact O-N 3.05Å; D14-R20 HydrophobicContact CB-CG 4.04Å; D14-R20 IonicContact OD2-CZ 3.88Å; D14-R20 IonicContact OD2-NE 2.84Å; D14-R20 PolarHBondContact OD2-NE 2.95Å; D14-R20 IonicContact OD2-NH2 2.66Å; D14-R20 PolarHBondContact OD2-NH2 3.47Å; K18-R20 PolarHBondContact O-N 3.38Å; R20-L22 WeakPolarHBondContact CB-O 3.42Å |
| 21 | V | 85 | Confident | 84.5 | Confident | 115 Ų | 115 | 93.3 Ų | 93.3 | 70% | 0.697 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -98.1 | -5.6 | 177.5 | -167.4 | 0 | 0 | 0 | 0 | 111.3 | F11 | F11-V21 HydrophobicContact CD1-CG2 4.34Å; F11-V21 HydrophobicContact CE1-CG2 4.13Å |
| 22 | L | 80.9 | Confident | 85 | Confident | 88 Ų | 88 | 94.1 Ų | 94.1 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -125.7 | 140.5 | 175.7 | -175.4 | 65.4 | 0 | 0 | 0 | 108.2 | R20 V26 | R20-L22 WeakPolarHBondContact CB-O 3.42Å; L22-V26 HydrophobicContact CD1-CG1 4.18Å |
| 23 | E | 85.4 | Confident | 85.6 | Confident | 88 Ų | 88 | 95.5 Ų | 95.5 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | trans | -57.2 | 126.4 | 176.5 | -171.4 | 174 | -163.5 | 0 | 0 | 110 | Y12 D25 V26 S27 | Y12-E23 HydrophobicContact CD1-CB 4.32Å; Y12-E23 HydrophobicContact CD1-CG 4.33Å; Y12-E23 HydrophobicContact CD2-CB 4.39Å; Y12-E23 HydrophobicContact CE1-CB 4.28Å; Y12-E23 HydrophobicContact CE1-CG 4.39Å; Y12-E23 HydrophobicContact CE2-CB 4.36Å; Y12-E23 HydrophobicContact CG-CB 4.38Å; E23-D25 VanDerWaalsContact C-N 3.32Å; E23-D25 PolarHBondContact O-N 3Å; E23-V26 HydrophobicContact CB-CB 4.19Å; E23-V26 HydrophobicContact CB-CG2 3.96Å; E23-V26 HydrophobicContact CG-CG2 4.32Å; E23-V26 PolarHBondContact O-N 2.87Å; E23-V26 VanDerWaalsContact O-N 3.07Å; E23-V26 WeakPolarHBondContact OE2-CG2 3.49Å; E23-S27 PolarHBondContact O-N 3.45Å | ||
| 24 | P | 83.5 | Confident | 86.3 | Confident | 36 Ų | 36 | 97.3 Ų | 97.3 | 23% | 0.234 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -53.3 | -44 | -174.3 | -28.9 | 34.4 | 0 | 0 | 0 | 113.9 | D14 V26 S27 Q28 | D14-P24 HydrophobicContact CB-CB 4.44Å; D14-P24 HydrophobicContact CB-CG 4.08Å; P24-V26 PolarHBondContact O-N 3.41Å; P24-S27 WeakPolarHBondContact O-CB 3.31Å; P24-S27 PolarHBondContact O-N 3.31Å; P24-Q28 PolarHBondContact O-N 2.95Å |
| 25 | D | 84.9 | Confident | 87 | Confident | 89 Ų | 89 | 100.7 Ų | 100.7 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.5 | -75.6 | 10.4 | 0 | 0 | 0 | 112.4 | E23 Q28 K29 | E23-D25 VanDerWaalsContact C-N 3.32Å; E23-D25 PolarHBondContact O-N 3Å; D25-Q28 PolarHBondContact O-N 3.37Å; D25-K29 WeakPolarHBondContact O-CB 3.34Å; D25-K29 VanDerWaalsContact O-CG 3.29Å; D25-K29 WeakPolarHBondContact O-CG 3.47Å; D25-K29 PolarHBondContact O-N 2.88Å |
| 26 | V | 85.9 | Confident | 87.8 | Confident | 61 Ų | 61 | 98.1 Ų | 98.1 | 37% | 0.37 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | L22 E23 P24 T30 | L22-V26 HydrophobicContact CD1-CG1 4.18Å; E23-V26 HydrophobicContact CB-CB 4.19Å; E23-V26 HydrophobicContact CB-CG2 3.96Å; E23-V26 HydrophobicContact CG-CG2 4.32Å; E23-V26 PolarHBondContact O-N 2.87Å; E23-V26 VanDerWaalsContact O-N 3.07Å; E23-V26 WeakPolarHBondContact OE2-CG2 3.49Å; P24-V26 PolarHBondContact O-N 3.41Å; V26-T30 VanDerWaalsContact O-CB 3.25Å; V26-T30 WeakPolarHBondContact O-CB 3.41Å; V26-T30 PolarHBondContact O-N 3.12Å; V26-T30 PolarHBondContact O-OG1 3.38Å |
| 27 | S | 86.4 | Confident | 88.4 | Confident | 50 Ų | 50 | 95.4 Ų | 95.4 | 35% | 0.35 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.7 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | E23 P24 S31 | E23-S27 PolarHBondContact O-N 3.45Å; P24-S27 WeakPolarHBondContact O-CB 3.31Å; P24-S27 PolarHBondContact O-N 3.31Å; S27-S31 WeakPolarHBondContact O-CB 3.47Å; S27-S31 PolarHBondContact O-N 3.36Å; S27-S31 VanDerWaalsContact O-N 3.09Å; S27-S31 PolarHBondContact O-OG 3.19Å |
| 28 | Q | 87.8 | Confident | 89.1 | Confident | 100 Ų | 100 | 94.7 Ų | 94.7 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.5 | -53.3 | 179.1 | -179.4 | 176.4 | -9 | 0 | 0 | 110.9 | P24 D25 T30 S31 E32 | P24-Q28 PolarHBondContact O-N 2.95Å; D25-Q28 PolarHBondContact O-N 3.37Å; Q28-T30 VanDerWaalsContact C-N 3.26Å; Q28-T30 PolarHBondContact O-N 3.23Å; Q28-S31 WeakPolarHBondContact O-CA 3.37Å; Q28-S31 WeakPolarHBondContact O-CB 3.31Å; Q28-S31 PolarHBondContact O-N 3.02Å; Q28-E32 HydrophobicContact CG-CG 4.45Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.14Å; Q28-E32 PolarHBondContact NE2-OE1 3.3Å; Q28-E32 PolarHBondContact O-N 3.41Å |
| 29 | K | 90 | Very high | 89.8 | Confident | 135 Ų | 135 | 94.2 Ų | 94.2 | 59% | 0.587 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.7 | -39.1 | 177.7 | -71.3 | 173.3 | -175.5 | 170.8 | 0 | 112.3 | D25 S31 L33 | D25-K29 WeakPolarHBondContact O-CB 3.34Å; D25-K29 VanDerWaalsContact O-CG 3.29Å; D25-K29 WeakPolarHBondContact O-CG 3.47Å; D25-K29 PolarHBondContact O-N 2.88Å; K29-S31 VanDerWaalsContact C-N 3.31Å; K29-S31 PolarHBondContact O-N 3.39Å; K29-L33 VanDerWaalsContact O-CB 3.27Å; K29-L33 WeakPolarHBondContact O-CB 3.48Å; K29-L33 PolarHBondContact O-N 2.94Å |
| 30 | T | 91.6 | Very high | 90.4 | Very high | 82 Ų | 82 | 96.3 Ų | 96.3 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 175.8 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | V26 Q28 K34 | V26-T30 VanDerWaalsContact O-CB 3.25Å; V26-T30 WeakPolarHBondContact O-CB 3.41Å; V26-T30 PolarHBondContact O-N 3.12Å; V26-T30 PolarHBondContact O-OG1 3.38Å; Q28-T30 VanDerWaalsContact C-N 3.26Å; Q28-T30 PolarHBondContact O-N 3.23Å; T30-K34 WeakPolarHBondContact O-CB 3.45Å; T30-K34 PolarHBondContact O-N 3.39Å; T30-K34 VanDerWaalsContact O-N 3.08Å |
| 31 | S | 90.8 | Very high | 91.2 | Very high | 64 Ų | 64 | 95.4 Ų | 95.4 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.5 | -42.2 | 178 | -58.5 | 0 | 0 | 0 | 0 | 112 | S27 Q28 K29 K34 E35 | S27-S31 WeakPolarHBondContact O-CB 3.47Å; S27-S31 PolarHBondContact O-N 3.36Å; S27-S31 VanDerWaalsContact O-N 3.09Å; S27-S31 PolarHBondContact O-OG 3.19Å; Q28-S31 WeakPolarHBondContact O-CA 3.37Å; Q28-S31 WeakPolarHBondContact O-CB 3.31Å; Q28-S31 PolarHBondContact O-N 3.02Å; K29-S31 VanDerWaalsContact C-N 3.31Å; K29-S31 PolarHBondContact O-N 3.39Å; S31-K34 WeakPolarHBondContact O-CB 3.42Å; S31-K34 PolarHBondContact O-N 2.98Å; S31-E35 PolarHBondContact O-N 3.47Å; S31-E35 VanDerWaalsContact O-N 3.1Å |
| 32 | E | 94.6 | Very high | 91.8 | Very high | 94 Ų | 94 | 94.4 Ų | 94.4 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 173.5 | -71.7 | 170.8 | -176.6 | 0 | 0 | 110.7 | Q28 K34 E35 E36 | Q28-E32 HydrophobicContact CG-CG 4.45Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.14Å; Q28-E32 PolarHBondContact NE2-OE1 3.3Å; Q28-E32 PolarHBondContact O-N 3.41Å; E32-K34 VanDerWaalsContact C-N 3.26Å; E32-K34 PolarHBondContact O-N 3.15Å; E32-E35 PolarHBondContact O-N 2.92Å; E32-E35 VanDerWaalsContact O-N 3.12Å; E32-E36 WeakPolarHBondContact O-CG 3.19Å; E32-E36 PolarHBondContact O-N 2.89Å |
| 33 | L | 94.8 | Very high | 92.6 | Very high | 103 Ų | 103 | 96.2 Ų | 96.2 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57 | -40.7 | 176.1 | -179.3 | 63.3 | 0 | 0 | 0 | 111.9 | K29 E36 C37 | K29-L33 VanDerWaalsContact O-CB 3.27Å; K29-L33 WeakPolarHBondContact O-CB 3.48Å; K29-L33 PolarHBondContact O-N 2.94Å; L33-E36 PolarHBondContact O-N 3.45Å; L33-C37 WeakPolarHBondContact O-CB 3.43Å; L33-C37 PolarHBondContact O-N 3.47Å; L33-C37 PolarHBondContact O-SG 3Å |
| 34 | K | 95.6 | Very high | 93.2 | Very high | 146 Ų | 146 | 95.2 Ų | 95.2 | 64% | 0.635 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62 | -44.3 | 177.6 | 178.4 | -174.1 | 172.2 | -170.8 | 0 | 111.9 | T30 S31 E32 K38 | T30-K34 WeakPolarHBondContact O-CB 3.45Å; T30-K34 PolarHBondContact O-N 3.39Å; T30-K34 VanDerWaalsContact O-N 3.08Å; S31-K34 WeakPolarHBondContact O-CB 3.42Å; S31-K34 PolarHBondContact O-N 2.98Å; E32-K34 VanDerWaalsContact C-N 3.26Å; E32-K34 PolarHBondContact O-N 3.15Å; K34-K38 PolarHBondContact O-N 3.31Å; K34-K38 VanDerWaalsContact O-N 3.1Å |
| 35 | E | 96.6 | Very high | 93.8 | Very high | 93 Ų | 93 | 94.7 Ų | 94.7 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.8 | -41.3 | 178.3 | -68.3 | -54 | 142.4 | 0 | 0 | 111.6 | S31 E32 C37 K38 E39 | S31-E35 PolarHBondContact O-N 3.47Å; S31-E35 VanDerWaalsContact O-N 3.1Å; E32-E35 PolarHBondContact O-N 2.92Å; E32-E35 VanDerWaalsContact O-N 3.12Å; E35-C37 PolarHBondContact O-N 3.26Å; E35-K38 WeakPolarHBondContact O-CB 3.45Å; E35-K38 PolarHBondContact O-N 3.42Å; E35-K38 VanDerWaalsContact O-N 3.1Å; E35-E39 PolarHBondContact O-N 3.16Å |
| 36 | E | 96.1 | Very high | 94.4 | Very high | 128 Ų | 128 | 96.5 Ų | 96.5 | 60% | 0.598 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60 | -43.7 | 174 | -73 | -174 | 178.3 | 0 | 0 | 112.2 | E32 L33 K38 E39 F40 | E32-E36 WeakPolarHBondContact O-CG 3.19Å; E32-E36 PolarHBondContact O-N 2.89Å; L33-E36 PolarHBondContact O-N 3.45Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 3.22Å; E36-E39 PolarHBondContact O-N 2.94Å; E36-F40 WeakPolarHBondContact O-CB 3.35Å; E36-F40 PolarHBondContact O-N 3.04Å |
| 37 | C | 96.5 | Very high | 95 | Very high | 67 Ų | 67 | 99.6 Ų | 99.6 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 174.6 | -75.2 | 0 | 0 | 0 | 0 | 111.5 | L33 E35 F40 V41 | L33-C37 WeakPolarHBondContact O-CB 3.43Å; L33-C37 PolarHBondContact O-N 3.47Å; L33-C37 PolarHBondContact O-SG 3Å; E35-C37 PolarHBondContact O-N 3.26Å; C37-F40 PolarHBondContact O-N 3.5Å; C37-V41 WeakPolarHBondContact O-CG2 3.47Å; C37-V41 PolarHBondContact O-N 2.95Å |
| 38 | K | 96.6 | Very high | 95.5 | Very high | 121 Ų | 121 | 103.4 Ų | 103.4 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 178 | -174.3 | -178.1 | 175 | -169.6 | 0 | 111.6 | K34 E35 E36 F40 V41 N42 | K34-K38 PolarHBondContact O-N 3.31Å; K34-K38 VanDerWaalsContact O-N 3.1Å; E35-K38 WeakPolarHBondContact O-CB 3.45Å; E35-K38 PolarHBondContact O-N 3.42Å; E35-K38 VanDerWaalsContact O-N 3.1Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 3.22Å; K38-F40 VanDerWaalsContact C-N 3.34Å; K38-V41 PolarHBondContact O-N 2.99Å; K38-N42 PolarHBondContact O-N 3.32Å; K38-N42 PolarHBondContact O-ND2 3.01Å |
| 39 | E | 97.2 | Very high | 96 | Very high | 108 Ų | 108 | 106.7 Ų | 106.7 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 173.5 | -73.6 | -164.5 | -180 | 0 | 0 | 112.2 | E35 E36 N42 K43 | E35-E39 PolarHBondContact O-N 3.16Å; E36-E39 PolarHBondContact O-N 2.94Å; E39-N42 PolarHBondContact O-N 3.33Å; E39-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.04Å; E39-K43 IonicContact OE2-NZ 2.79Å |
| 40 | F | 97.5 | Very high | 96.4 | Very high | 137 Ų | 137 | 106 Ų | 106 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.8 | -48.9 | 177.7 | 179.7 | -96.1 | 0 | 0 | 0 | 111.2 | E36 C37 K38 N42 K43 I44 | E36-F40 WeakPolarHBondContact O-CB 3.35Å; E36-F40 PolarHBondContact O-N 3.04Å; C37-F40 PolarHBondContact O-N 3.5Å; K38-F40 VanDerWaalsContact C-N 3.34Å; F40-N42 VanDerWaalsContact C-N 3.29Å; F40-N42 PolarHBondContact O-N 3.36Å; F40-K43 PolarHBondContact O-N 2.96Å; F40-I44 HydrophobicContact CD1-CG1 4.14Å; F40-I44 HydrophobicContact CE1-CD1 4.39Å; F40-I44 HydrophobicContact CE1-CG1 3.7Å; F40-I44 HydrophobicContact CE2-CD1 4.32Å; F40-I44 HydrophobicContact CE2-CG1 4.22Å; F40-I44 HydrophobicContact CZ-CD1 3.94Å; F40-I44 HydrophobicContact CZ-CG1 3.75Å; F40-I44 WeakPolarHBondContact O-CG1 3.37Å; F40-I44 PolarHBondContact O-N 3.38Å |
| 41 | V | 97.3 | Very high | 96.7 | Very high | 99 Ų | 99 | 104.5 Ų | 104.5 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.3 | -41.7 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | C37 K38 I44 G45 | C37-V41 WeakPolarHBondContact O-CG2 3.47Å; C37-V41 PolarHBondContact O-N 2.95Å; K38-V41 PolarHBondContact O-N 2.99Å; V41-I44 PolarHBondContact O-N 3.44Å; V41-G45 PolarHBondContact O-N 3.38Å |
| 42 | N | 97.8 | Very high | 97 | Very high | 93 Ų | 93 | 102.9 Ų | 102.9 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.4 | -74.6 | -26.1 | 0 | 0 | 0 | 112.3 | K38 E39 F40 G45 Q46 | K38-N42 PolarHBondContact O-N 3.32Å; K38-N42 PolarHBondContact O-ND2 3.01Å; E39-N42 PolarHBondContact O-N 3.33Å; F40-N42 VanDerWaalsContact C-N 3.29Å; F40-N42 PolarHBondContact O-N 3.36Å; N42-G45 PolarHBondContact O-N 3.07Å; N42-Q46 WeakPolarHBondContact O-CG 3.49Å; N42-Q46 PolarHBondContact O-N 3.39Å |
| 43 | K | 97.7 | Very high | 97.2 | Very high | 126 Ų | 126 | 99.7 Ų | 99.7 | 55% | 0.548 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.7 | -73.6 | 172.6 | -175.1 | 164.4 | 0 | 111.4 | E39 F40 G45 Q46 F47 | E39-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.04Å; E39-K43 IonicContact OE2-NZ 2.79Å; F40-K43 PolarHBondContact O-N 2.96Å; K43-G45 VanDerWaalsContact C-N 3.35Å; K43-Q46 PolarHBondContact O-N 2.94Å; K43-F47 WeakPolarHBondContact O-CB 3.34Å; K43-F47 PolarHBondContact O-N 3.23Å |
| 44 | I | 97.5 | Very high | 97.3 | Very high | 67 Ų | 67 | 99.4 Ų | 99.4 | 34% | 0.344 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 174.7 | -67.8 | -62.2 | 0 | 0 | 0 | 111.1 | F40 V41 Q46 F47 Q48 | F40-I44 HydrophobicContact CD1-CG1 4.14Å; F40-I44 HydrophobicContact CE1-CD1 4.39Å; F40-I44 HydrophobicContact CE1-CG1 3.7Å; F40-I44 HydrophobicContact CE2-CD1 4.32Å; F40-I44 HydrophobicContact CE2-CG1 4.22Å; F40-I44 HydrophobicContact CZ-CD1 3.94Å; F40-I44 HydrophobicContact CZ-CG1 3.75Å; F40-I44 WeakPolarHBondContact O-CG1 3.37Å; F40-I44 PolarHBondContact O-N 3.38Å; V41-I44 PolarHBondContact O-N 3.44Å; I44-Q46 VanDerWaalsContact C-N 3.34Å; I44-Q46 PolarHBondContact O-N 3.48Å; I44-F47 PolarHBondContact O-N 2.94Å; I44-Q48 HydrophobicContact CG2-CG 4.43Å; I44-Q48 WeakPolarHBondContact O-CG 3.49Å; I44-Q48 PolarHBondContact O-N 3.37Å |
| 45 | G | 97.6 | Very high | 97.4 | Very high | 26 Ų | 26 | 97 Ų | 97 | 27% | 0.268 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | V41 N42 K43 K49 | V41-G45 PolarHBondContact O-N 3.38Å; N42-G45 PolarHBondContact O-N 3.07Å; K43-G45 VanDerWaalsContact C-N 3.35Å; G45-K49 WeakPolarHBondContact O-CG 3.46Å; G45-K49 PolarHBondContact O-N 2.9Å |
| 46 | Q | 97.6 | Very high | 97.5 | Very high | 126 Ų | 126 | 98.9 Ų | 98.9 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | 173.8 | -71.3 | 176.9 | -2.4 | 0 | 0 | 111.9 | N42 K43 I44 Q48 K49 I50 | N42-Q46 WeakPolarHBondContact O-CG 3.49Å; N42-Q46 PolarHBondContact O-N 3.39Å; K43-Q46 PolarHBondContact O-N 2.94Å; I44-Q46 VanDerWaalsContact C-N 3.34Å; I44-Q46 PolarHBondContact O-N 3.48Å; Q46-Q48 VanDerWaalsContact C-N 3.34Å; Q46-Q48 PolarHBondContact O-N 3.47Å; Q46-K49 WeakPolarHBondContact O-CB 3.25Å; Q46-K49 PolarHBondContact O-N 2.97Å; Q46-I50 WeakPolarHBondContact O-CG1 3.5Å; Q46-I50 PolarHBondContact O-N 3.02Å |
| 47 | F | 97.8 | Very high | 97.6 | Very high | 126 Ų | 126 | 98.3 Ų | 98.3 | 55% | 0.553 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.7 | -46 | 177.1 | 178.3 | -101.1 | 0 | 0 | 0 | 111.7 | K43 I44 K49 I50 V51 | K43-F47 WeakPolarHBondContact O-CB 3.34Å; K43-F47 PolarHBondContact O-N 3.23Å; I44-F47 PolarHBondContact O-N 2.94Å; F47-K49 VanDerWaalsContact C-N 3.3Å; F47-K49 PolarHBondContact O-N 3.34Å; F47-I50 PolarHBondContact O-N 3.23Å; F47-I50 VanDerWaalsContact O-N 3.17Å; F47-V51 HydrophobicContact CD1-CG2 4.16Å; F47-V51 HydrophobicContact CD2-CG2 4.38Å; F47-V51 HydrophobicContact CE1-CG2 3.7Å; F47-V51 HydrophobicContact CE2-CG2 3.95Å; F47-V51 HydrophobicContact CG-CG2 4.48Å; F47-V51 HydrophobicContact CZ-CG2 3.58Å; F47-V51 WeakPolarHBondContact O-CG2 3.5Å; F47-V51 PolarHBondContact O-N 2.98Å |
| 48 | Q | 97.6 | Very high | 97.7 | Very high | 130 Ų | 130 | 99 Ų | 99 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.2 | -39.8 | 176.4 | -74.6 | 176.3 | -23.7 | 0 | 0 | 112.4 | I44 Q46 V51 G52 | I44-Q48 HydrophobicContact CG2-CG 4.43Å; I44-Q48 WeakPolarHBondContact O-CG 3.49Å; I44-Q48 PolarHBondContact O-N 3.37Å; Q46-Q48 VanDerWaalsContact C-N 3.34Å; Q46-Q48 PolarHBondContact O-N 3.47Å; Q48-V51 PolarHBondContact O-N 3.48Å; Q48-G52 PolarHBondContact O-N 2.92Å |
| 49 | K | 97.9 | Very high | 97.7 | Very high | 169 Ų | 169 | 97.6 Ų | 97.6 | 74% | 0.735 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | 175.1 | -72.2 | 176.7 | -178.4 | -175.4 | 0 | 112.3 | G45 Q46 F47 G52 G53 | G45-K49 WeakPolarHBondContact O-CG 3.46Å; G45-K49 PolarHBondContact O-N 2.9Å; Q46-K49 WeakPolarHBondContact O-CB 3.25Å; Q46-K49 PolarHBondContact O-N 2.97Å; F47-K49 VanDerWaalsContact C-N 3.3Å; F47-K49 PolarHBondContact O-N 3.34Å; K49-G52 PolarHBondContact O-N 3.22Å; K49-G53 PolarHBondContact O-N 3.48Å |
| 50 | I | 97.7 | Very high | 97.8 | Very high | 120 Ų | 120 | 98.2 Ų | 98.2 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -46.4 | 178.5 | -66.4 | 167.7 | 0 | 0 | 0 | 110.3 | Q46 F47 G52 G53 L54 | Q46-I50 WeakPolarHBondContact O-CG1 3.5Å; Q46-I50 PolarHBondContact O-N 3.02Å; F47-I50 PolarHBondContact O-N 3.23Å; F47-I50 VanDerWaalsContact O-N 3.17Å; I50-G52 VanDerWaalsContact C-N 3.33Å; I50-G52 PolarHBondContact O-N 3.35Å; I50-G53 PolarHBondContact O-N 3.47Å; I50-L54 WeakPolarHBondContact O-CB 3.35Å; I50-L54 PolarHBondContact O-N 2.94Å |
| 51 | V | 98 | Very high | 97.8 | Very high | 52 Ų | 52 | 97.2 Ų | 97.2 | 32% | 0.315 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | F47 Q48 L54 I55 | F47-V51 HydrophobicContact CD1-CG2 4.16Å; F47-V51 HydrophobicContact CD2-CG2 4.38Å; F47-V51 HydrophobicContact CE1-CG2 3.7Å; F47-V51 HydrophobicContact CE2-CG2 3.95Å; F47-V51 HydrophobicContact CG-CG2 4.48Å; F47-V51 HydrophobicContact CZ-CG2 3.58Å; F47-V51 WeakPolarHBondContact O-CG2 3.5Å; F47-V51 PolarHBondContact O-N 2.98Å; Q48-V51 PolarHBondContact O-N 3.48Å; V51-L54 PolarHBondContact O-N 2.95Å; V51-I55 HydrophobicContact CG1-CD1 3.94Å; V51-I55 HydrophobicContact CG1-CG1 4.46Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.34Å; V51-I55 PolarHBondContact O-N 3.34Å |
| 52 | G | 98.1 | Very high | 97.9 | Very high | 30 Ų | 30 | 95 Ų | 95 | 31% | 0.309 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.6 | -50.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q48 K49 I50 L54 I55 E56 | Q48-G52 PolarHBondContact O-N 2.92Å; K49-G52 PolarHBondContact O-N 3.22Å; I50-G52 VanDerWaalsContact C-N 3.33Å; I50-G52 PolarHBondContact O-N 3.35Å; G52-L54 VanDerWaalsContact C-N 3.31Å; G52-L54 PolarHBondContact O-N 3.32Å; G52-I55 PolarHBondContact O-N 3.37Å; G52-E56 PolarHBondContact O-N 3.46Å; G52-E56 VanDerWaalsContact O-N 3.09Å |
| 53 | G | 98 | Very high | 97.9 | Very high | 26 Ų | 26 | 97.5 Ų | 97.5 | 27% | 0.268 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K49 I50 E56 M57 | K49-G53 PolarHBondContact O-N 3.48Å; I50-G53 PolarHBondContact O-N 3.47Å; G53-E56 PolarHBondContact O-N 3.35Å; G53-M57 WeakPolarHBondContact O-CG 3.32Å; G53-M57 PolarHBondContact O-N 2.93Å |
| 54 | L | 97.6 | Very high | 97.9 | Very high | 97 Ų | 97 | 97.6 Ų | 97.6 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 174.9 | -179.3 | 62.9 | 0 | 0 | 0 | 112 | I50 V51 G52 E56 M57 V58 | I50-L54 WeakPolarHBondContact O-CB 3.35Å; I50-L54 PolarHBondContact O-N 2.94Å; V51-L54 PolarHBondContact O-N 2.95Å; G52-L54 VanDerWaalsContact C-N 3.31Å; G52-L54 PolarHBondContact O-N 3.32Å; L54-E56 VanDerWaalsContact C-N 3.33Å; L54-M57 HydrophobicContact CD1-CE 4.24Å; L54-M57 PolarHBondContact O-N 2.9Å; L54-V58 HydrophobicContact CD1-CG2 4.25Å; L54-V58 HydrophobicContact CG-CG2 4.47Å; L54-V58 WeakPolarHBondContact O-CB 3.34Å; L54-V58 VanDerWaalsContact O-CG2 3.26Å; L54-V58 WeakPolarHBondContact O-CG2 3.43Å; L54-V58 PolarHBondContact O-N 2.99Å |
| 55 | I | 97.6 | Very high | 97.9 | Very high | 96 Ų | 96 | 97.2 Ų | 97.2 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 176.7 | -69.1 | 165.4 | 0 | 0 | 0 | 110 | V51 G52 M57 V58 D59 | V51-I55 HydrophobicContact CG1-CD1 3.94Å; V51-I55 HydrophobicContact CG1-CG1 4.46Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.34Å; V51-I55 PolarHBondContact O-N 3.34Å; G52-I55 PolarHBondContact O-N 3.37Å; I55-M57 PolarHBondContact O-N 2.96Å; I55-V58 PolarHBondContact O-N 3.42Å; I55-D59 PolarHBondContact O-N 3.34Å |
| 56 | E | 98.1 | Very high | 97.9 | Very high | 132 Ų | 132 | 100.5 Ų | 100.5 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.4 | -47.3 | 177.9 | -70.7 | 173.7 | -178 | 0 | 0 | 112 | G52 G53 L54 V58 D59 E60 | G52-E56 PolarHBondContact O-N 3.46Å; G52-E56 VanDerWaalsContact O-N 3.09Å; G53-E56 PolarHBondContact O-N 3.35Å; L54-E56 VanDerWaalsContact C-N 3.33Å; E56-V58 VanDerWaalsContact C-N 3.33Å; E56-V58 PolarHBondContact O-N 2.87Å; E56-D59 PolarHBondContact O-N 3.45Å; E56-E60 WeakPolarHBondContact O-CG 3.44Å; E56-E60 PolarHBondContact O-N 3.4Å |
| 57 | M | 98 | Very high | 97.9 | Very high | 117 Ų | 117 | 97.8 Ų | 97.8 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.8 | -39.7 | 177.2 | -73.3 | -174.2 | -67.6 | 0 | 0 | 112.6 | G53 L54 I55 E60 L61 | G53-M57 WeakPolarHBondContact O-CG 3.32Å; G53-M57 PolarHBondContact O-N 2.93Å; L54-M57 HydrophobicContact CD1-CE 4.24Å; L54-M57 PolarHBondContact O-N 2.9Å; I55-M57 PolarHBondContact O-N 2.96Å; M57-E60 PolarHBondContact O-N 3.34Å; M57-L61 WeakPolarHBondContact O-CB 3.4Å; M57-L61 PolarHBondContact O-N 2.97Å |
| 58 | V | 98 | Very high | 98 | Very high | 81 Ų | 81 | 96.6 Ų | 96.6 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L54 I55 E56 L61 A62 | L54-V58 HydrophobicContact CD1-CG2 4.25Å; L54-V58 HydrophobicContact CG-CG2 4.47Å; L54-V58 WeakPolarHBondContact O-CB 3.34Å; L54-V58 VanDerWaalsContact O-CG2 3.26Å; L54-V58 WeakPolarHBondContact O-CG2 3.43Å; L54-V58 PolarHBondContact O-N 2.99Å; I55-V58 PolarHBondContact O-N 3.42Å; E56-V58 VanDerWaalsContact C-N 3.33Å; E56-V58 PolarHBondContact O-N 2.87Å; V58-L61 PolarHBondContact O-N 3.34Å; V58-A62 WeakPolarHBondContact O-CB 3.44Å; V58-A62 PolarHBondContact O-N 3.28Å |
| 59 | D | 98.2 | Very high | 98 | Very high | 91 Ų | 91 | 95.5 Ų | 95.5 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 176.9 | -81.7 | -12.5 | 0 | 0 | 0 | 112.2 | I55 E56 A62 K63 | I55-D59 PolarHBondContact O-N 3.34Å; E56-D59 PolarHBondContact O-N 3.45Å; D59-A62 PolarHBondContact O-N 3.31Å; D59-K63 WeakPolarHBondContact O-CG 3.5Å; D59-K63 PolarHBondContact O-N 2.87Å; D59-K63 VanDerWaalsContact O-N 3.14Å |
| 60 | E | 98.2 | Very high | 98 | Very high | 122 Ų | 122 | 93.1 Ų | 93.1 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.4 | -48.5 | 173.9 | -74.4 | -176.7 | 168.7 | 0 | 0 | 111.4 | E56 M57 A62 K63 E64 | E56-E60 WeakPolarHBondContact O-CG 3.44Å; E56-E60 PolarHBondContact O-N 3.4Å; M57-E60 PolarHBondContact O-N 3.34Å; E60-A62 VanDerWaalsContact C-N 3.28Å; E60-A62 PolarHBondContact O-N 2.97Å; E60-K63 WeakPolarHBondContact O-CB 3.46Å; E60-K63 PolarHBondContact O-N 3.35Å; E60-K63 VanDerWaalsContact O-N 3.1Å; E60-E64 PolarHBondContact O-N 3.42Å |
| 61 | L | 97.9 | Very high | 98 | Very high | 115 Ų | 115 | 95 Ų | 95 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.8 | -39.4 | 178 | -177.2 | 62.1 | 0 | 0 | 0 | 111.9 | M57 V58 E64 A65 | M57-L61 WeakPolarHBondContact O-CB 3.4Å; M57-L61 PolarHBondContact O-N 2.97Å; V58-L61 PolarHBondContact O-N 3.34Å; L61-E64 PolarHBondContact O-N 2.94Å; L61-A65 VanDerWaalsContact O-CB 3.3Å; L61-A65 WeakPolarHBondContact O-CB 3.48Å; L61-A65 PolarHBondContact O-N 2.85Å |
| 62 | A | 98.1 | Very high | 98 | Very high | 52 Ų | 52 | 95.5 Ų | 95.5 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V58 D59 E60 A65 E66 | V58-A62 WeakPolarHBondContact O-CB 3.44Å; V58-A62 PolarHBondContact O-N 3.28Å; D59-A62 PolarHBondContact O-N 3.31Å; E60-A62 VanDerWaalsContact C-N 3.28Å; E60-A62 PolarHBondContact O-N 2.97Å; A62-A65 PolarHBondContact O-N 3.49Å; A62-E66 PolarHBondContact O-N 3.36Å; A62-E66 VanDerWaalsContact O-N 3.08Å |
| 63 | K | 98.1 | Very high | 98 | Very high | 146 Ų | 146 | 97.5 Ų | 97.5 | 64% | 0.635 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.2 | -42 | 176.5 | -72.1 | 170.5 | -173.9 | 168.3 | 0 | 112.2 | D59 E60 E66 T67 | D59-K63 WeakPolarHBondContact O-CG 3.5Å; D59-K63 PolarHBondContact O-N 2.87Å; D59-K63 VanDerWaalsContact O-N 3.14Å; E60-K63 WeakPolarHBondContact O-CB 3.46Å; E60-K63 PolarHBondContact O-N 3.35Å; E60-K63 VanDerWaalsContact O-N 3.1Å; K63-E66 PolarHBondContact O-N 3.01Å; K63-T67 WeakPolarHBondContact O-CB 3.43Å; K63-T67 PolarHBondContact O-N 2.99Å; K63-T67 PolarHBondContact O-OG1 3.13Å |
| 64 | E | 98.1 | Very high | 98 | Very high | 129 Ų | 129 | 98.1 Ų | 98.1 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 176.3 | -72.3 | -173.3 | 178.4 | 0 | 0 | 111.4 | E60 L61 E66 T67 E68 | E60-E64 PolarHBondContact O-N 3.42Å; L61-E64 PolarHBondContact O-N 2.94Å; E64-E66 VanDerWaalsContact C-N 3.34Å; E64-E66 PolarHBondContact O-N 3.47Å; E64-T67 WeakPolarHBondContact O-CB 3.48Å; E64-T67 PolarHBondContact O-N 3.34Å; E64-T67 VanDerWaalsContact O-N 3.14Å; E64-E68 PolarHBondContact O-N 2.97Å |
| 65 | A | 98.3 | Very high | 97.9 | Very high | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L61 A62 E68 K69 | L61-A65 VanDerWaalsContact O-CB 3.3Å; L61-A65 WeakPolarHBondContact O-CB 3.48Å; L61-A65 PolarHBondContact O-N 2.85Å; A62-A65 PolarHBondContact O-N 3.49Å; A65-E68 PolarHBondContact O-N 2.66Å; A65-K69 VanDerWaalsContact O-CB 3.31Å; A65-K69 WeakPolarHBondContact O-CB 3.45Å; A65-K69 PolarHBondContact O-N 3.03Å |
| 66 | E | 97.6 | Very high | 97.9 | Very high | 95 Ų | 95 | 100.3 Ų | 100.3 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.8 | -35.1 | 175.9 | -79.6 | -58.1 | 167.5 | 0 | 0 | 112.9 | A62 K63 E64 K69 M70 | A62-E66 PolarHBondContact O-N 3.36Å; A62-E66 VanDerWaalsContact O-N 3.08Å; K63-E66 PolarHBondContact O-N 3.01Å; E64-E66 VanDerWaalsContact C-N 3.34Å; E64-E66 PolarHBondContact O-N 3.47Å; E66-K69 PolarHBondContact O-N 3.34Å; E66-K69 IonicContact OE1-NZ 2.76Å; E66-K69 PolarHBondContact OE1-NZ 3.23Å; E66-K69 VanDerWaalsContact OE2-CD 3.31Å; E66-K69 WeakPolarHBondContact OE2-CD 3.42Å; E66-K69 WeakPolarHBondContact OE2-CE 3.49Å; E66-K69 IonicContact OE2-NZ 3.22Å; E66-K69 PolarHBondContact OE2-NZ 3.02Å; E66-M70 WeakPolarHBondContact O-CB 3.48Å; E66-M70 WeakPolarHBondContact O-CG 3.39Å; E66-M70 PolarHBondContact O-N 3.45Å |
| 67 | T | 98.1 | Very high | 97.9 | Very high | 69 Ų | 69 | 98.3 Ų | 98.3 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 174.5 | -60.3 | 0 | 0 | 0 | 0 | 111 | K63 E64 M70 R71 | K63-T67 WeakPolarHBondContact O-CB 3.43Å; K63-T67 PolarHBondContact O-N 2.99Å; K63-T67 PolarHBondContact O-OG1 3.13Å; E64-T67 WeakPolarHBondContact O-CB 3.48Å; E64-T67 PolarHBondContact O-N 3.34Å; E64-T67 VanDerWaalsContact O-N 3.14Å; T67-M70 PolarHBondContact O-N 3.21Å; T67-R71 WeakPolarHBondContact O-CG 3.5Å; T67-R71 PolarHBondContact O-N 2.94Å |
| 68 | E | 98.1 | Very high | 97.8 | Very high | 101 Ų | 101 | 98.1 Ų | 98.1 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 178 | -75.6 | -54.7 | 136.4 | 0 | 0 | 112.5 | E64 A65 M70 R71 A72 | E64-E68 PolarHBondContact O-N 2.97Å; A65-E68 PolarHBondContact O-N 2.66Å; E68-M70 VanDerWaalsContact C-N 3.32Å; E68-M70 PolarHBondContact O-N 2.87Å; E68-R71 PolarHBondContact O-N 3.36Å; E68-R71 WeakPolarHBondContact OE1-CD 3.32Å; E68-R71 IonicContact OE1-CZ 3.88Å; E68-R71 IonicContact OE1-NE 3.16Å; E68-R71 IonicContact OE1-NH1 3.56Å; E68-R71 PolarHBondContact OE1-NH1 3.48Å; E68-A72 WeakPolarHBondContact O-CB 3.48Å; E68-A72 PolarHBondContact O-N 2.9Å |
| 69 | K | 98.3 | Very high | 97.7 | Very high | 107 Ų | 107 | 100.3 Ų | 100.3 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 173.2 | 175.1 | 172.2 | 146 | -142.1 | 0 | 111.5 | A65 E66 A72 I73 | A65-K69 VanDerWaalsContact O-CB 3.31Å; A65-K69 WeakPolarHBondContact O-CB 3.45Å; A65-K69 PolarHBondContact O-N 3.03Å; E66-K69 PolarHBondContact O-N 3.34Å; E66-K69 IonicContact OE1-NZ 2.76Å; E66-K69 PolarHBondContact OE1-NZ 3.23Å; E66-K69 VanDerWaalsContact OE2-CD 3.31Å; E66-K69 WeakPolarHBondContact OE2-CD 3.42Å; E66-K69 WeakPolarHBondContact OE2-CE 3.49Å; E66-K69 IonicContact OE2-NZ 3.22Å; E66-K69 PolarHBondContact OE2-NZ 3.02Å; K69-A72 PolarHBondContact O-N 3.33Å; K69-I73 HydrophobicContact CG-CD1 4.03Å; K69-I73 VanDerWaalsContact O-CG1 3.29Å; K69-I73 WeakPolarHBondContact O-CG1 3.5Å; K69-I73 PolarHBondContact O-N 2.87Å |
| 70 | M | 97.8 | Very high | 97.6 | Very high | 120 Ų | 120 | 103.8 Ų | 103.8 | 59% | 0.591 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 177.2 | -72.3 | -58.4 | -65.9 | 0 | 0 | 112.3 | E66 T67 E68 I73 G74 | E66-M70 WeakPolarHBondContact O-CB 3.48Å; E66-M70 WeakPolarHBondContact O-CG 3.39Å; E66-M70 PolarHBondContact O-N 3.45Å; T67-M70 PolarHBondContact O-N 3.21Å; E68-M70 VanDerWaalsContact C-N 3.32Å; E68-M70 PolarHBondContact O-N 2.87Å; M70-I73 PolarHBondContact O-N 3.4Å; M70-I73 HydrophobicContact SD-CD1 4.39Å; M70-G74 PolarHBondContact O-N 3.22Å |
| 71 | R | 97.9 | Very high | 97.5 | Very high | 158 Ų | 158 | 100.9 Ų | 100.9 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.1 | -46.3 | 173.6 | -73.5 | 176.1 | -178.9 | 173.1 | 0.1 | 111.8 | T67 E68 I73 G74 A75 | T67-R71 WeakPolarHBondContact O-CG 3.5Å; T67-R71 PolarHBondContact O-N 2.94Å; E68-R71 PolarHBondContact O-N 3.36Å; E68-R71 WeakPolarHBondContact OE1-CD 3.32Å; E68-R71 IonicContact OE1-CZ 3.88Å; E68-R71 IonicContact OE1-NE 3.16Å; E68-R71 IonicContact OE1-NH1 3.56Å; E68-R71 PolarHBondContact OE1-NH1 3.48Å; R71-I73 PolarHBondContact O-N 3.46Å; R71-G74 PolarHBondContact O-N 2.97Å; R71-A75 PolarHBondContact O-N 3.19Å |
| 72 | A | 97.9 | Very high | 97.5 | Very high | 63 Ų | 63 | 99 Ų | 99 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E68 K69 G74 A75 R76 | E68-A72 WeakPolarHBondContact O-CB 3.48Å; E68-A72 PolarHBondContact O-N 2.9Å; K69-A72 PolarHBondContact O-N 3.33Å; A72-G74 VanDerWaalsContact C-N 3.34Å; A72-A75 PolarHBondContact O-N 3.42Å; A72-R76 WeakPolarHBondContact O-CB 3.31Å; A72-R76 PolarHBondContact O-N 3.48Å |
| 73 | I | 97.6 | Very high | 97.3 | Very high | 73 Ų | 73 | 99.3 Ų | 99.3 | 37% | 0.374 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 174.1 | -68.3 | 166.1 | 0 | 0 | 0 | 110.5 | K69 M70 R71 R76 N77 | K69-I73 HydrophobicContact CG-CD1 4.03Å; K69-I73 VanDerWaalsContact O-CG1 3.29Å; K69-I73 WeakPolarHBondContact O-CG1 3.5Å; K69-I73 PolarHBondContact O-N 2.87Å; M70-I73 PolarHBondContact O-N 3.4Å; M70-I73 HydrophobicContact SD-CD1 4.39Å; R71-I73 PolarHBondContact O-N 3.46Å; I73-R76 PolarHBondContact O-N 3Å; I73-N77 VanDerWaalsContact O-CG 3.3Å; I73-N77 PolarHBondContact O-N 3.32Å |
| 74 | G | 97.6 | Very high | 97.2 | Very high | 38 Ų | 38 | 100 Ų | 100 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M70 R71 A72 R76 N77 L78 | M70-G74 PolarHBondContact O-N 3.22Å; R71-G74 PolarHBondContact O-N 2.97Å; A72-G74 VanDerWaalsContact C-N 3.34Å; G74-R76 VanDerWaalsContact C-N 3.33Å; G74-R76 PolarHBondContact O-N 3.14Å; G74-N77 PolarHBondContact O-N 3Å; G74-L78 PolarHBondContact O-N 2.96Å |
| 75 | A | 97.1 | Very high | 97.1 | Very high | 54 Ų | 54 | 99.4 Ų | 99.4 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R71 A72 N77 L78 L79 | R71-A75 PolarHBondContact O-N 3.19Å; A72-A75 PolarHBondContact O-N 3.42Å; A75-N77 PolarHBondContact O-N 3.41Å; A75-L78 PolarHBondContact O-N 2.96Å; A75-L79 PolarHBondContact O-N 2.96Å |
| 76 | R | 97.3 | Very high | 97.1 | Very high | 186 Ų | 186 | 105.3 Ų | 105.3 | 70% | 0.702 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 176.7 | -167 | 179 | 98.6 | 163.4 | 5 | 112.1 | A72 I73 G74 L79 K80 | A72-R76 WeakPolarHBondContact O-CB 3.31Å; A72-R76 PolarHBondContact O-N 3.48Å; I73-R76 PolarHBondContact O-N 3Å; G74-R76 VanDerWaalsContact C-N 3.33Å; G74-R76 PolarHBondContact O-N 3.14Å; R76-L79 PolarHBondContact O-N 3.02Å; R76-K80 WeakPolarHBondContact O-CB 3.29Å; R76-K80 PolarHBondContact O-N 3.1Å |
| 77 | N | 97.1 | Very high | 97.1 | Very high | 89 Ų | 89 | 106.1 Ų | 106.1 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 178.5 | -73.6 | -15.3 | 0 | 0 | 0 | 111.6 | I73 G74 A75 K80 S81 | I73-N77 VanDerWaalsContact O-CG 3.3Å; I73-N77 PolarHBondContact O-N 3.32Å; G74-N77 PolarHBondContact O-N 3Å; A75-N77 PolarHBondContact O-N 3.41Å; N77-K80 PolarHBondContact O-N 3.14Å; N77-S81 PolarHBondContact O-N 3.4Å |
| 78 | L | 96.3 | Very high | 97 | Very high | 113 Ų | 113 | 105 Ų | 105 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.9 | -45.9 | 175 | -175.9 | 65.8 | 0 | 0 | 0 | 111.6 | G74 A75 K80 S81 V82 | G74-L78 PolarHBondContact O-N 2.96Å; A75-L78 PolarHBondContact O-N 2.96Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.32Å; L78-S81 PolarHBondContact O-N 2.94Å; L78-S81 PolarHBondContact O-OG 2.92Å; L78-V82 VanDerWaalsContact O-CG2 3.32Å; L78-V82 WeakPolarHBondContact O-CG2 3.3Å; L78-V82 PolarHBondContact O-N 3.49Å |
| 79 | L | 96.4 | Very high | 97 | Very high | 127 Ų | 127 | 104.8 Ų | 104.8 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.6 | -41.8 | 176.2 | -77.7 | 169.6 | 0 | 0 | 0 | 111.9 | A75 R76 V82 A83 | A75-L79 PolarHBondContact O-N 2.96Å; R76-L79 PolarHBondContact O-N 3.02Å; L79-V82 PolarHBondContact O-N 3.49Å; L79-A83 WeakPolarHBondContact O-CB 3.38Å; L79-A83 PolarHBondContact O-N 3.43Å |
| 80 | K | 96.5 | Very high | 97 | Very high | 164 Ų | 164 | 104.7 Ų | 104.7 | 71% | 0.713 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -39.9 | 177 | -170.9 | 176.2 | -179.9 | -179.9 | 0 | 112.1 | R76 N77 L78 K84 | R76-K80 WeakPolarHBondContact O-CB 3.29Å; R76-K80 PolarHBondContact O-N 3.1Å; N77-K80 PolarHBondContact O-N 3.14Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.32Å; K80-K84 PolarHBondContact O-N 2.95Å; K80-K84 VanDerWaalsContact O-N 3.13Å |
| 81 | S | 96.1 | Very high | 97 | Very high | 61 Ų | 61 | 104.2 Ų | 104.2 | 43% | 0.427 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 177.8 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | N77 L78 A83 K84 Q85 | N77-S81 PolarHBondContact O-N 3.4Å; L78-S81 PolarHBondContact O-N 2.94Å; L78-S81 PolarHBondContact O-OG 2.92Å; S81-A83 PolarHBondContact O-N 3.48Å; S81-K84 PolarHBondContact O-N 3.41Å; S81-Q85 WeakPolarHBondContact O-CB 3.38Å; S81-Q85 PolarHBondContact O-N 3.08Å |
| 82 | V | 96.3 | Very high | 97 | Very high | 75 Ų | 75 | 103.3 Ų | 103.3 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L78 L79 K84 Q85 R86 | L78-V82 VanDerWaalsContact O-CG2 3.32Å; L78-V82 WeakPolarHBondContact O-CG2 3.3Å; L78-V82 PolarHBondContact O-N 3.49Å; L79-V82 PolarHBondContact O-N 3.49Å; V82-K84 PolarHBondContact O-N 2.84Å; V82-Q85 PolarHBondContact O-N 3.02Å; V82-R86 WeakPolarHBondContact O-CB 3.39Å; V82-R86 PolarHBondContact O-N 2.92Å |
| 83 | A | 95.1 | Very high | 97 | Very high | 59 Ų | 59 | 105.4 Ų | 105.4 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L79 S81 R86 E87 | L79-A83 WeakPolarHBondContact O-CB 3.38Å; L79-A83 PolarHBondContact O-N 3.43Å; S81-A83 PolarHBondContact O-N 3.48Å; A83-R86 PolarHBondContact O-N 3.41Å; A83-E87 PolarHBondContact O-N 3.47Å |
| 84 | K | 96.4 | Very high | 97 | Very high | 161 Ų | 161 | 107.3 Ų | 107.3 | 70% | 0.7 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 177.1 | -171.8 | -179.5 | -179 | -177.1 | 0 | 112.2 | K80 S81 V82 R86 E87 A88 | K80-K84 PolarHBondContact O-N 2.95Å; K80-K84 VanDerWaalsContact O-N 3.13Å; S81-K84 PolarHBondContact O-N 3.41Å; V82-K84 PolarHBondContact O-N 2.84Å; K84-R86 VanDerWaalsContact C-N 3.34Å; K84-E87 PolarHBondContact O-N 3.09Å; K84-A88 WeakPolarHBondContact O-CB 3.36Å; K84-A88 PolarHBondContact O-N 2.97Å |
| 85 | Q | 96.4 | Very high | 97.1 | Very high | 117 Ų | 117 | 108.4 Ų | 108.4 | 55% | 0.547 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.1 | -175.9 | 178.1 | 5.1 | 0 | 0 | 111.1 | S81 V82 A88 Q89 | S81-Q85 WeakPolarHBondContact O-CB 3.38Å; S81-Q85 PolarHBondContact O-N 3.08Å; V82-Q85 PolarHBondContact O-N 3.02Å; Q85-A88 PolarHBondContact O-N 3.42Å; Q85-Q89 WeakPolarHBondContact O-CB 3.31Å; Q85-Q89 WeakPolarHBondContact O-CG 3.4Å; Q85-Q89 PolarHBondContact O-N 3.49Å |
| 86 | R | 96.8 | Very high | 97.1 | Very high | 181 Ų | 181 | 109.9 Ų | 109.9 | 68% | 0.683 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 177 | -174 | -179.1 | 180 | -169.5 | 0.1 | 111.8 | V82 A83 K84 Q89 Q90 | V82-R86 WeakPolarHBondContact O-CB 3.39Å; V82-R86 PolarHBondContact O-N 2.92Å; A83-R86 PolarHBondContact O-N 3.41Å; K84-R86 VanDerWaalsContact C-N 3.34Å; R86-Q89 PolarHBondContact O-N 3.39Å; R86-Q90 WeakPolarHBondContact O-CB 3.31Å; R86-Q90 PolarHBondContact O-N 3.25Å |
| 87 | E | 97.1 | Very high | 97.2 | Very high | 112 Ų | 112 | 105.4 Ų | 105.4 | 52% | 0.523 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 176.1 | -172.8 | -177.5 | 177.7 | 0 | 0 | 111.5 | A83 K84 Q89 Q90 Q91 | A83-E87 PolarHBondContact O-N 3.47Å; K84-E87 PolarHBondContact O-N 3.09Å; E87-Q89 PolarHBondContact O-N 3.25Å; E87-Q90 WeakPolarHBondContact O-CB 3.26Å; E87-Q90 PolarHBondContact O-N 2.96Å; E87-Q91 WeakPolarHBondContact O-CG 3.41Å; E87-Q91 PolarHBondContact O-N 2.74Å |
| 88 | A | 97.2 | Very high | 97.3 | Very high | 45 Ų | 45 | 104 Ų | 104 | 37% | 0.372 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K84 Q85 Q90 Q91 Q92 | K84-A88 WeakPolarHBondContact O-CB 3.36Å; K84-A88 PolarHBondContact O-N 2.97Å; Q85-A88 PolarHBondContact O-N 3.42Å; A88-Q90 VanDerWaalsContact C-N 3.34Å; A88-Q90 PolarHBondContact O-N 2.93Å; A88-Q91 PolarHBondContact O-N 3.34Å; A88-Q92 WeakPolarHBondContact O-CG 3.45Å; A88-Q92 PolarHBondContact O-N 2.96Å |
| 89 | Q | 97.6 | Very high | 97.3 | Very high | 97 Ų | 97 | 102.9 Ų | 102.9 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 175.2 | -76.5 | 177.6 | -17.9 | 0 | 0 | 111.9 | Q85 R86 E87 Q92 L93 | Q85-Q89 WeakPolarHBondContact O-CB 3.31Å; Q85-Q89 WeakPolarHBondContact O-CG 3.4Å; Q85-Q89 PolarHBondContact O-N 3.49Å; R86-Q89 PolarHBondContact O-N 3.39Å; E87-Q89 PolarHBondContact O-N 3.25Å; Q89-Q92 PolarHBondContact O-N 2.93Å; Q89-L93 WeakPolarHBondContact O-CB 3.47Å; Q89-L93 WeakPolarHBondContact O-CG 3.48Å; Q89-L93 PolarHBondContact O-N 3.41Å |
| 90 | Q | 97.9 | Very high | 97.4 | Very high | 106 Ų | 106 | 102.2 Ų | 102.2 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 176.9 | -177.4 | 177.1 | -13.2 | 0 | 0 | 111.4 | R86 E87 A88 L93 Q94 | R86-Q90 WeakPolarHBondContact O-CB 3.31Å; R86-Q90 PolarHBondContact O-N 3.25Å; E87-Q90 WeakPolarHBondContact O-CB 3.26Å; E87-Q90 PolarHBondContact O-N 2.96Å; A88-Q90 VanDerWaalsContact C-N 3.34Å; A88-Q90 PolarHBondContact O-N 2.93Å; Q90-L93 PolarHBondContact O-N 3.17Å; Q90-Q94 WeakPolarHBondContact O-CG 3.49Å; Q90-Q94 PolarHBondContact O-N 3.38Å |
| 91 | Q | 97.9 | Very high | 97.5 | Very high | 110 Ų | 110 | 101.3 Ų | 101.3 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.4 | -70.9 | 176.7 | 2.7 | 0 | 0 | 111.7 | E87 A88 Q94 A95 | E87-Q91 WeakPolarHBondContact O-CG 3.41Å; E87-Q91 PolarHBondContact O-N 2.74Å; A88-Q91 PolarHBondContact O-N 3.34Å; Q91-Q94 PolarHBondContact O-N 3.24Å; Q91-A95 PolarHBondContact O-N 3.48Å |
| 92 | Q | 98 | Very high | 97.6 | Very high | 138 Ų | 138 | 104.9 Ų | 104.9 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.7 | -45.1 | 175.5 | -76.1 | -179.2 | -23.8 | 0 | 0 | 112.3 | A88 Q89 A95 L96 | A88-Q92 WeakPolarHBondContact O-CG 3.45Å; A88-Q92 PolarHBondContact O-N 2.96Å; Q89-Q92 PolarHBondContact O-N 2.93Å; Q92-A95 PolarHBondContact O-N 2.9Å; Q92-L96 PolarHBondContact O-N 3.22Å |
| 93 | L | 98.3 | Very high | 97.7 | Very high | 107 Ų | 107 | 103.5 Ų | 103.5 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -40.3 | 177.3 | -73.2 | 169.8 | 0 | 0 | 0 | 111.8 | Q89 Q90 L96 I97 | Q89-L93 WeakPolarHBondContact O-CB 3.47Å; Q89-L93 WeakPolarHBondContact O-CG 3.48Å; Q89-L93 PolarHBondContact O-N 3.41Å; Q90-L93 PolarHBondContact O-N 3.17Å; L93-L96 PolarHBondContact O-N 3.03Å; L93-I97 WeakPolarHBondContact O-CB 3.41Å; L93-I97 VanDerWaalsContact O-CG1 3.25Å; L93-I97 WeakPolarHBondContact O-CG1 3.4Å; L93-I97 PolarHBondContact O-N 2.97Å |
| 94 | Q | 98.3 | Very high | 97.9 | Very high | 113 Ų | 113 | 106.4 Ų | 106.4 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.8 | -76.1 | 178.2 | -10.4 | 0 | 0 | 112 | Q90 Q91 I97 A98 | Q90-Q94 WeakPolarHBondContact O-CG 3.49Å; Q90-Q94 PolarHBondContact O-N 3.38Å; Q91-Q94 PolarHBondContact O-N 3.24Å; Q94-I97 PolarHBondContact O-N 3.38Å; Q94-A98 PolarHBondContact O-N 3.22Å |
| 95 | A | 98.3 | Very high | 98 | Very high | 62 Ų | 62 | 103.4 Ų | 103.4 | 51% | 0.512 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q91 Q92 I97 A98 E99 | Q91-A95 PolarHBondContact O-N 3.48Å; Q92-A95 PolarHBondContact O-N 2.9Å; A95-I97 PolarHBondContact O-N 2.88Å; A95-A98 WeakPolarHBondContact O-CB 3.38Å; A95-A98 PolarHBondContact O-N 2.94Å; A95-E99 PolarHBondContact O-N 3.25Å |
| 96 | L | 98.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 104.4 Ų | 104.4 | 44% | 0.44 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 177.4 | -174.4 | 67.1 | 0 | 0 | 0 | 112 | Q92 L93 A98 E99 K100 | Q92-L96 PolarHBondContact O-N 3.22Å; L93-L96 PolarHBondContact O-N 3.03Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 3.33Å; L96-E99 PolarHBondContact O-N 3.36Å; L96-K100 WeakPolarHBondContact O-CG 3.45Å; L96-K100 PolarHBondContact O-N 2.9Å |
| 97 | I | 98.4 | Very high | 98.1 | Very high | 92 Ų | 92 | 101.7 Ų | 101.7 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.3 | -71.6 | 164.7 | 0 | 0 | 0 | 110.4 | L93 Q94 A95 K100 K101 | L93-I97 WeakPolarHBondContact O-CB 3.41Å; L93-I97 VanDerWaalsContact O-CG1 3.25Å; L93-I97 WeakPolarHBondContact O-CG1 3.4Å; L93-I97 PolarHBondContact O-N 2.97Å; Q94-I97 PolarHBondContact O-N 3.38Å; A95-I97 PolarHBondContact O-N 2.88Å; I97-K100 PolarHBondContact O-N 3.26Å; I97-K101 HydrophobicContact CG2-CD 4.23Å; I97-K101 HydrophobicContact CG2-CG 4.48Å; I97-K101 WeakPolarHBondContact O-CB 3.36Å; I97-K101 WeakPolarHBondContact O-CG 3.32Å; I97-K101 PolarHBondContact O-N 3.5Å |
| 98 | A | 98.4 | Very high | 98.2 | Very high | 60 Ų | 60 | 103.2 Ų | 103.2 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q94 A95 L96 K100 K101 M102 | Q94-A98 PolarHBondContact O-N 3.22Å; A95-A98 WeakPolarHBondContact O-CB 3.38Å; A95-A98 PolarHBondContact O-N 2.94Å; L96-A98 VanDerWaalsContact C-N 3.32Å; L96-A98 PolarHBondContact O-N 3.33Å; A98-K100 PolarHBondContact O-N 3.45Å; A98-K101 PolarHBondContact O-N 3.19Å; A98-M102 PolarHBondContact O-N 3.43Å |
| 99 | E | 98.4 | Very high | 98.3 | Very high | 90 Ų | 90 | 105.9 Ų | 105.9 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 175.7 | -170.5 | -163.9 | 149.8 | 0 | 0 | 111.6 | A95 L96 K101 M102 Q103 | A95-E99 PolarHBondContact O-N 3.25Å; L96-E99 PolarHBondContact O-N 3.36Å; E99-K101 PolarHBondContact O-N 3.3Å; E99-M102 PolarHBondContact O-N 2.9Å; E99-Q103 WeakPolarHBondContact O-CG 3.39Å; E99-Q103 PolarHBondContact O-N 2.91Å; E99-Q103 PolarHBondContact OE1-NE2 2.96Å |
| 100 | K | 98.4 | Very high | 98.3 | Very high | 113 Ų | 113 | 106.2 Ų | 106.2 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 179.3 | -67.8 | -58.5 | 175.5 | -168 | 0 | 112.9 | L96 I97 A98 Q103 L104 | L96-K100 WeakPolarHBondContact O-CG 3.45Å; L96-K100 PolarHBondContact O-N 2.9Å; I97-K100 PolarHBondContact O-N 3.26Å; A98-K100 PolarHBondContact O-N 3.45Å; K100-Q103 PolarHBondContact O-N 2.92Å; K100-L104 WeakPolarHBondContact O-CB 3.37Å; K100-L104 PolarHBondContact O-N 3.3Å |
| 101 | K | 98.3 | Very high | 98.3 | Very high | 144 Ų | 144 | 109 Ų | 109 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 173.1 | -76.4 | -177.6 | 178.3 | -173.7 | 0 | 111.8 | I97 A98 E99 L104 E105 | I97-K101 HydrophobicContact CG2-CD 4.23Å; I97-K101 HydrophobicContact CG2-CG 4.48Å; I97-K101 WeakPolarHBondContact O-CB 3.36Å; I97-K101 WeakPolarHBondContact O-CG 3.32Å; I97-K101 PolarHBondContact O-N 3.5Å; A98-K101 PolarHBondContact O-N 3.19Å; E99-K101 PolarHBondContact O-N 3.3Å; K101-L104 PolarHBondContact O-N 2.89Å; K101-E105 PolarHBondContact O-N 3.2Å |
| 102 | M | 98.3 | Very high | 98.3 | Very high | 136 Ų | 136 | 108.7 Ų | 108.7 | 67% | 0.67 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 176.8 | -170.6 | -176.5 | 75.7 | 0 | 0 | 111.8 | A98 E99 L104 E105 R106 | A98-M102 PolarHBondContact O-N 3.43Å; E99-M102 PolarHBondContact O-N 2.9Å; M102-L104 VanDerWaalsContact C-N 3.34Å; M102-L104 PolarHBondContact O-N 2.89Å; M102-E105 PolarHBondContact O-N 3.25Å; M102-R106 PolarHBondContact O-N 3.04Å |
| 103 | Q | 98.3 | Very high | 98.3 | Very high | 46 Ų | 46 | 104.8 Ų | 104.8 | 22% | 0.215 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 174.9 | -74.6 | 172.9 | 0.1 | 0 | 0 | 111.6 | E99 K100 R106 Y107 | E99-Q103 WeakPolarHBondContact O-CG 3.39Å; E99-Q103 PolarHBondContact O-N 2.91Å; E99-Q103 PolarHBondContact OE1-NE2 2.96Å; K100-Q103 PolarHBondContact O-N 2.92Å; Q103-R106 PolarHBondContact O-N 3.45Å; Q103-Y107 HydrophobicContact CB-CE2 4.39Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.39Å; Q103-Y107 PolarHBondContact O-N 2.99Å |
| 104 | L | 98.4 | Very high | 98.3 | Very high | 121 Ų | 121 | 104.9 Ų | 104.9 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.8 | -45.8 | 177.6 | -176.5 | 68.1 | 0 | 0 | 0 | 111.8 | K100 K101 M102 R106 Y107 R108 | K100-L104 WeakPolarHBondContact O-CB 3.37Å; K100-L104 PolarHBondContact O-N 3.3Å; K101-L104 PolarHBondContact O-N 2.89Å; M102-L104 VanDerWaalsContact C-N 3.34Å; M102-L104 PolarHBondContact O-N 2.89Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.36Å; L104-Y107 PolarHBondContact O-N 2.91Å; L104-R108 PolarHBondContact O-N 2.85Å |
| 105 | E | 98.3 | Very high | 98.3 | Very high | 98 Ų | 98 | 101.7 Ų | 101.7 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 179.7 | -165.8 | 61.3 | -160.2 | 0 | 0 | 111.5 | K101 M102 Y107 R108 I109 | K101-E105 PolarHBondContact O-N 3.2Å; M102-E105 PolarHBondContact O-N 3.25Å; E105-Y107 PolarHBondContact O-N 3.12Å; E105-R108 WeakPolarHBondContact O-CB 3.4Å; E105-R108 PolarHBondContact O-N 3.45Å; E105-I109 HydrophobicContact CG-CD1 4.4Å; E105-I109 WeakPolarHBondContact O-CG1 3.46Å; E105-I109 PolarHBondContact O-N 3.38Å |
| 106 | R | 98.4 | Very high | 98.2 | Very high | 138 Ų | 138 | 105.3 Ų | 105.3 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 173.4 | -173.8 | -172 | 69.1 | -173.9 | -0.8 | 111.5 | M102 Q103 L104 R108 I109 E110 | M102-R106 PolarHBondContact O-N 3.04Å; Q103-R106 PolarHBondContact O-N 3.45Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.36Å; R106-R108 VanDerWaalsContact C-N 3.28Å; R106-R108 PolarHBondContact O-N 2.9Å; R106-I109 PolarHBondContact O-N 3.42Å; R106-E110 WeakPolarHBondContact O-CB 3.45Å; R106-E110 PolarHBondContact O-N 3.22Å |
| 107 | Y | 98.4 | Very high | 98.2 | Very high | 123 Ų | 123 | 104.5 Ų | 104.5 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 179.2 | -68.7 | -45 | 0 | 0 | 0 | 112.6 | Q103 L104 E105 E110 Y111 | Q103-Y107 HydrophobicContact CB-CE2 4.39Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.39Å; Q103-Y107 PolarHBondContact O-N 2.99Å; L104-Y107 PolarHBondContact O-N 2.91Å; E105-Y107 PolarHBondContact O-N 3.12Å; Y107-E110 PolarHBondContact O-N 3.1Å; Y107-Y111 VanDerWaalsContact O-CB 3.31Å; Y107-Y111 WeakPolarHBondContact O-CB 3.5Å; Y107-Y111 PolarHBondContact O-N 3.38Å |
| 108 | R | 98.4 | Very high | 98.2 | Very high | 145 Ų | 145 | 105.7 Ų | 105.7 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 175 | -174.2 | -175.5 | 178.5 | 164.7 | 5.9 | 111.6 | L104 E105 R106 E110 Y111 E112 | L104-R108 PolarHBondContact O-N 2.85Å; E105-R108 WeakPolarHBondContact O-CB 3.4Å; E105-R108 PolarHBondContact O-N 3.45Å; R106-R108 VanDerWaalsContact C-N 3.28Å; R106-R108 PolarHBondContact O-N 2.9Å; R108-E110 VanDerWaalsContact C-N 3.33Å; R108-E110 PolarHBondContact O-N 3.1Å; R108-Y111 PolarHBondContact O-N 3.43Å; R108-E112 IonicContact NE-OE1 3.6Å; R108-E112 PolarHBondContact NE-OE1 2.93Å; R108-E112 VanDerWaalsContact NE-OE1 3.16Å; R108-E112 WeakPolarHBondContact O-CG 3.35Å; R108-E112 PolarHBondContact O-N 2.95Å |
| 109 | I | 98.3 | Very high | 98.1 | Very high | 101 Ų | 101 | 105.7 Ų | 105.7 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.6 | -66.3 | 166.6 | 0 | 0 | 0 | 110.6 | E105 R106 E112 A113 | E105-I109 HydrophobicContact CG-CD1 4.4Å; E105-I109 WeakPolarHBondContact O-CG1 3.46Å; E105-I109 PolarHBondContact O-N 3.38Å; R106-I109 PolarHBondContact O-N 3.42Å; I109-E112 PolarHBondContact O-N 2.88Å; I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.1Å |
| 110 | E | 98 | Very high | 98 | Very high | 104 Ų | 104 | 106.1 Ų | 106.1 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 177.9 | -172.4 | 175.4 | -175.5 | 0 | 0 | 111.7 | R106 Y107 R108 A113 L114 | R106-E110 WeakPolarHBondContact O-CB 3.45Å; R106-E110 PolarHBondContact O-N 3.22Å; Y107-E110 PolarHBondContact O-N 3.1Å; R108-E110 VanDerWaalsContact C-N 3.33Å; R108-E110 PolarHBondContact O-N 3.1Å; E110-A113 PolarHBondContact O-N 2.88Å; E110-L114 HydrophobicContact CG-CD1 4.28Å; E110-L114 WeakPolarHBondContact O-CG 3.27Å; E110-L114 PolarHBondContact O-N 2.76Å |
| 111 | Y | 98.3 | Very high | 97.8 | Very high | 164 Ų | 164 | 106.4 Ų | 106.4 | 64% | 0.643 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.1 | -47 | 175.3 | 174.9 | -98.4 | 0 | 0 | 0 | 112.2 | Y107 R108 A113 L114 S115 | Y107-Y111 VanDerWaalsContact O-CB 3.31Å; Y107-Y111 WeakPolarHBondContact O-CB 3.5Å; Y107-Y111 PolarHBondContact O-N 3.38Å; R108-Y111 PolarHBondContact O-N 3.43Å; Y111-A113 VanDerWaalsContact C-N 3.3Å; Y111-A113 PolarHBondContact O-N 2.79Å; Y111-L114 PolarHBondContact O-N 2.79Å; Y111-S115 WeakPolarHBondContact O-CB 3.45Å; Y111-S115 PolarHBondContact O-N 3.27Å |
| 112 | E | 98.1 | Very high | 97.7 | Very high | 103 Ų | 103 | 103.3 Ų | 103.3 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 178 | -73.9 | 174.6 | -167.4 | 0 | 0 | 111.4 | R108 I109 K116 | R108-E112 IonicContact NE-OE1 3.6Å; R108-E112 PolarHBondContact NE-OE1 2.93Å; R108-E112 VanDerWaalsContact NE-OE1 3.16Å; R108-E112 WeakPolarHBondContact O-CG 3.35Å; R108-E112 PolarHBondContact O-N 2.95Å; I109-E112 PolarHBondContact O-N 2.88Å; E112-K116 PolarHBondContact O-N 3.09Å; E112-K116 VanDerWaalsContact O-N 3.12Å |
| 113 | A | 97.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 102 Ų | 102 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I109 E110 Y111 K116 V117 | I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.1Å; E110-A113 PolarHBondContact O-N 2.88Å; Y111-A113 VanDerWaalsContact C-N 3.3Å; Y111-A113 PolarHBondContact O-N 2.79Å; A113-K116 PolarHBondContact O-N 3.47Å; A113-V117 WeakPolarHBondContact O-CG2 3.25Å; A113-V117 PolarHBondContact O-N 3.27Å; A113-V117 VanDerWaalsContact O-N 3.15Å |
| 114 | L | 97.9 | Very high | 97.3 | Very high | 109 Ų | 109 | 106.2 Ų | 106.2 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65 | -41.9 | 178.3 | -73.5 | 171.1 | 0 | 0 | 0 | 112 | E110 Y111 K116 V117 E118 | E110-L114 HydrophobicContact CG-CD1 4.28Å; E110-L114 WeakPolarHBondContact O-CG 3.27Å; E110-L114 PolarHBondContact O-N 2.76Å; Y111-L114 PolarHBondContact O-N 2.79Å; L114-K116 VanDerWaalsContact C-N 3.28Å; L114-K116 PolarHBondContact O-N 3.08Å; L114-V117 PolarHBondContact O-N 3.28Å; L114-E118 WeakPolarHBondContact O-CB 3.39Å; L114-E118 PolarHBondContact O-N 2.9Å |
| 115 | S | 98.2 | Very high | 97.1 | Very high | 47 Ų | 47 | 104.4 Ų | 104.4 | 33% | 0.329 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -36.9 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | Y111 E118 S119 | Y111-S115 WeakPolarHBondContact O-CB 3.45Å; Y111-S115 PolarHBondContact O-N 3.27Å; S115-E118 PolarHBondContact O-N 3.31Å; S115-S119 PolarHBondContact O-N 3.02Å |
| 116 | K | 97.6 | Very high | 96.8 | Very high | 137 Ų | 137 | 104.3 Ų | 104.3 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -47.1 | 173.5 | -171.4 | -177.6 | 179.1 | -166.1 | 0 | 111.9 | E112 A113 L114 E118 S119 E120 | E112-K116 PolarHBondContact O-N 3.09Å; E112-K116 VanDerWaalsContact O-N 3.12Å; A113-K116 PolarHBondContact O-N 3.47Å; L114-K116 VanDerWaalsContact C-N 3.28Å; L114-K116 PolarHBondContact O-N 3.08Å; K116-E118 VanDerWaalsContact C-N 3.31Å; K116-E118 PolarHBondContact O-N 3.27Å; K116-S119 WeakPolarHBondContact O-CB 3.35Å; K116-S119 PolarHBondContact O-N 2.96Å; K116-E120 WeakPolarHBondContact CE-OE1 3.41Å; K116-E120 IonicContact NZ-OE1 2.74Å; K116-E120 WeakPolarHBondContact O-CG 3.5Å; K116-E120 PolarHBondContact O-N 2.86Å |
| 117 | V | 97.8 | Very high | 96.4 | Very high | 67 Ų | 67 | 103.1 Ų | 103.1 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | A113 L114 E120 Q121 | A113-V117 WeakPolarHBondContact O-CG2 3.25Å; A113-V117 PolarHBondContact O-N 3.27Å; A113-V117 VanDerWaalsContact O-N 3.15Å; L114-V117 PolarHBondContact O-N 3.28Å; V117-E120 PolarHBondContact O-N 2.88Å; V117-Q121 HydrophobicContact CG1-CG 4.43Å; V117-Q121 WeakPolarHBondContact O-CB 3.43Å; V117-Q121 VanDerWaalsContact O-CG 3.31Å; V117-Q121 WeakPolarHBondContact O-CG 3.29Å; V117-Q121 PolarHBondContact O-N 3.48Å |
| 118 | E | 97.6 | Very high | 95.8 | Very high | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 175.3 | -176.6 | -173 | -166.7 | 0 | 0 | 111.5 | L114 S115 K116 Q121 N122 | L114-E118 WeakPolarHBondContact O-CB 3.39Å; L114-E118 PolarHBondContact O-N 2.9Å; S115-E118 PolarHBondContact O-N 3.31Å; K116-E118 VanDerWaalsContact C-N 3.31Å; K116-E118 PolarHBondContact O-N 3.27Å; E118-Q121 PolarHBondContact O-N 3.02Å; E118-N122 PolarHBondContact O-N 2.98Å; E118-N122 PolarHBondContact O-ND2 2.71Å |
| 119 | S | 96.9 | Very high | 95.1 | Very high | 60 Ų | 60 | 101.1 Ų | 101.1 | 42% | 0.42 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 176.2 | -167.1 | 0 | 0 | 0 | 0 | 111.9 | S115 K116 Q121 N122 E123 | S115-S119 PolarHBondContact O-N 3.02Å; K116-S119 WeakPolarHBondContact O-CB 3.35Å; K116-S119 PolarHBondContact O-N 2.96Å; S119-Q121 VanDerWaalsContact C-N 3.31Å; S119-Q121 PolarHBondContact O-N 3.45Å; S119-N122 PolarHBondContact O-N 3.47Å; S119-E123 WeakPolarHBondContact O-CG 3.36Å; S119-E123 PolarHBondContact O-N 2.83Å |
| 120 | E | 96.1 | Very high | 93.9 | Very high | 100 Ų | 100 | 103.1 Ų | 103.1 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 178.1 | -70.9 | 172.6 | -175.1 | 0 | 0 | 111.8 | K116 V117 F124 | K116-E120 WeakPolarHBondContact CE-OE1 3.41Å; K116-E120 IonicContact NZ-OE1 2.74Å; K116-E120 WeakPolarHBondContact O-CG 3.5Å; K116-E120 PolarHBondContact O-N 2.86Å; V117-E120 PolarHBondContact O-N 2.88Å; E120-F124 WeakPolarHBondContact O-CB 3.43Å; E120-F124 PolarHBondContact O-N 2.92Å |
| 121 | Q | 95.3 | Very high | 92.4 | Very high | 118 Ų | 118 | 106 Ų | 106 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.1 | -42 | 176 | -74 | 179 | 3.6 | 0 | 0 | 112.3 | V117 E118 S119 F124 I125 | V117-Q121 HydrophobicContact CG1-CG 4.43Å; V117-Q121 WeakPolarHBondContact O-CB 3.43Å; V117-Q121 VanDerWaalsContact O-CG 3.31Å; V117-Q121 WeakPolarHBondContact O-CG 3.29Å; V117-Q121 PolarHBondContact O-N 3.48Å; E118-Q121 PolarHBondContact O-N 3.02Å; S119-Q121 VanDerWaalsContact C-N 3.31Å; S119-Q121 PolarHBondContact O-N 3.45Å; Q121-F124 PolarHBondContact O-N 3.2Å; Q121-I125 VanDerWaalsContact O-CG1 3.31Å; Q121-I125 WeakPolarHBondContact O-CG1 3.45Å; Q121-I125 PolarHBondContact O-N 2.87Å |
| 122 | N | 95.2 | Very high | 90.2 | Very high | 80 Ų | 80 | 109 Ų | 109 | 43% | 0.428 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.7 | -76 | -32.4 | 0 | 0 | 0 | 111.4 | E118 S119 F124 I125 D126 | E118-N122 PolarHBondContact O-N 2.98Å; E118-N122 PolarHBondContact O-ND2 2.71Å; S119-N122 PolarHBondContact O-N 3.47Å; N122-F124 VanDerWaalsContact C-N 3.3Å; N122-F124 PolarHBondContact O-N 2.65Å; N122-I125 PolarHBondContact O-N 3.27Å; N122-D126 PolarHBondContact O-N 3.15Å |
| 123 | E | 94.3 | Very high | 89.8 | Confident | 108 Ų | 108 | 109.3 Ų | 109.3 | 51% | 0.505 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59 | -41.5 | 174.6 | -74 | 176.3 | -164.5 | 0 | 0 | 112 | S119 D126 Q127 | S119-E123 WeakPolarHBondContact O-CG 3.36Å; S119-E123 PolarHBondContact O-N 2.83Å; E123-D126 PolarHBondContact O-N 3.04Å; E123-Q127 VanDerWaalsContact O-CG 3.29Å; E123-Q127 WeakPolarHBondContact O-CG 3.4Å; E123-Q127 PolarHBondContact O-N 3.07Å |
| 124 | F | 93.8 | Very high | 89.3 | Confident | 135 Ų | 135 | 112.1 Ų | 112.1 | 59% | 0.592 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63 | -43.6 | 175.7 | 178.8 | -97.2 | 0 | 0 | 0 | 112.1 | E120 Q121 N122 Q127 F128 | E120-F124 WeakPolarHBondContact O-CB 3.43Å; E120-F124 PolarHBondContact O-N 2.92Å; Q121-F124 PolarHBondContact O-N 3.2Å; N122-F124 VanDerWaalsContact C-N 3.3Å; N122-F124 PolarHBondContact O-N 2.65Å; F124-Q127 PolarHBondContact O-N 2.95Å; F124-F128 WeakPolarHBondContact O-CB 3.43Å; F124-F128 PolarHBondContact O-N 3.13Å |
| 125 | I | 93.6 | Very high | 88.9 | Confident | 83 Ų | 83 | 112.3 Ų | 112.3 | 43% | 0.426 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 177 | -70.5 | 165.5 | 0 | 0 | 0 | 110.4 | Q121 N122 Q127 F128 I129 | Q121-I125 VanDerWaalsContact O-CG1 3.31Å; Q121-I125 WeakPolarHBondContact O-CG1 3.45Å; Q121-I125 PolarHBondContact O-N 2.87Å; N122-I125 PolarHBondContact O-N 3.27Å; I125-Q127 VanDerWaalsContact C-N 3.35Å; I125-Q127 PolarHBondContact O-N 3.36Å; I125-F128 PolarHBondContact O-N 2.83Å; I125-F128 VanDerWaalsContact O-N 3.15Å; I125-I129 HydrophobicContact CG2-CD1 3.68Å; I125-I129 HydrophobicContact CG2-CG1 4.33Å; I125-I129 WeakPolarHBondContact O-CG1 3.42Å; I125-I129 PolarHBondContact O-N 3.11Å |
| 126 | D | 92.3 | Very high | 88.3 | Confident | 96 Ų | 96 | 116.1 Ų | 116.1 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.5 | -44.3 | 179.8 | -74.3 | -18.2 | 0 | 0 | 0 | 111.5 | N122 E123 F128 I129 L130 | N122-D126 PolarHBondContact O-N 3.15Å; E123-D126 PolarHBondContact O-N 3.04Å; D126-F128 VanDerWaalsContact C-N 3.34Å; D126-F128 PolarHBondContact O-N 3.08Å; D126-I129 PolarHBondContact O-N 3.13Å; D126-L130 WeakPolarHBondContact O-CB 3.49Å; D126-L130 WeakPolarHBondContact O-CD1 2.95Å; D126-L130 WeakPolarHBondContact O-CG 3.27Å; D126-L130 PolarHBondContact O-N 3.48Å |
| 127 | Q | 89.4 | Confident | 87.7 | Confident | 113 Ų | 113 | 114.8 Ų | 114.8 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.9 | -40.7 | 174.8 | -72.4 | 176.4 | 25.1 | 0 | 0 | 112.2 | E123 F124 I125 L130 Q131 | E123-Q127 VanDerWaalsContact O-CG 3.29Å; E123-Q127 WeakPolarHBondContact O-CG 3.4Å; E123-Q127 PolarHBondContact O-N 3.07Å; F124-Q127 PolarHBondContact O-N 2.95Å; I125-Q127 VanDerWaalsContact C-N 3.35Å; I125-Q127 PolarHBondContact O-N 3.36Å; Q127-L130 PolarHBondContact O-N 3.09Å; Q127-Q131 WeakPolarHBondContact O-CG 3.43Å; Q127-Q131 PolarHBondContact O-N 3.25Å |
| 128 | F | 87.2 | Confident | 87.1 | Confident | 117 Ų | 117 | 118 Ų | 118 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69 | -34.8 | 179.1 | -166.5 | -95.4 | 0 | 0 | 0 | 112.6 | F124 I125 D126 | F124-F128 WeakPolarHBondContact O-CB 3.43Å; F124-F128 PolarHBondContact O-N 3.13Å; I125-F128 PolarHBondContact O-N 2.83Å; I125-F128 VanDerWaalsContact O-N 3.15Å; D126-F128 VanDerWaalsContact C-N 3.34Å; D126-F128 PolarHBondContact O-N 3.08Å |
| 129 | I | 84.1 | Confident | 86.3 | Confident | 109 Ų | 109 | 118.1 Ų | 118.1 | 56% | 0.559 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.7 | -40.9 | 174.7 | -68.6 | 171.3 | 0 | 0 | 0 | 110.8 | I125 D126 Q131 K132 | I125-I129 HydrophobicContact CG2-CD1 3.68Å; I125-I129 HydrophobicContact CG2-CG1 4.33Å; I125-I129 WeakPolarHBondContact O-CG1 3.42Å; I125-I129 PolarHBondContact O-N 3.11Å; D126-I129 PolarHBondContact O-N 3.13Å; I129-Q131 VanDerWaalsContact C-N 3.27Å; I129-Q131 PolarHBondContact O-N 3.17Å; I129-K132 PolarHBondContact O-N 3.44Å |
| 130 | L | 73.3 | Confident | 85.5 | Confident | 143 Ų | 143 | 122.5 Ų | 122.5 | 75% | 0.749 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.2 | -18 | 179.7 | -77.1 | 163 | 0 | 0 | 0 | 114.3 | D126 Q127 | D126-L130 WeakPolarHBondContact O-CB 3.49Å; D126-L130 WeakPolarHBondContact O-CD1 2.95Å; D126-L130 WeakPolarHBondContact O-CG 3.27Å; D126-L130 PolarHBondContact O-N 3.48Å; Q127-L130 PolarHBondContact O-N 3.09Å |
| 131 | Q | 65.6 | Low | 84.6 | Confident | 164 Ų | 164 | 124.4 Ų | 124.4 | 77% | 0.766 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -0.6 | 177.9 | -75.4 | -175.9 | -0.9 | 0 | 0 | 114.4 | Q127 I129 | Q127-Q131 WeakPolarHBondContact O-CG 3.43Å; Q127-Q131 PolarHBondContact O-N 3.25Å; I129-Q131 VanDerWaalsContact C-N 3.27Å; I129-Q131 PolarHBondContact O-N 3.17Å |
| 132 | K | 51.5 | Low | 83.7 | Confident | 227 Ų | 227 | 125 Ų | 125 | 99% | 0.987 | 60% | 0.597 | S | S | * | * | trans | -101.3 | 0 | 169.9 | -85.5 | -168.9 | 174.8 | -176.7 | 0 | 111.6 | I129 | I129-K132 PolarHBondContact O-N 3.44Š|
Retrieved 132 of 132 residues in 186 ms
(Link to these results)