| 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 | 51.5 | Low | 71.1 | Confident | 200 Ų | 200 | 104.5 Ų | 104.5 | 99% | 0.985 | 57% | 0.569 | S | S | * | * | 0 | -14.5 | 0 | -74.9 | 175.2 | 168.3 | 0 | 0 | 113.9 | W3 F4 | M1-W3 VanDerWaalsContact C-N 3.29Å; M1-W3 PolarHBondContact O-N 2.65Å; M1-W3 VanDerWaalsContact O-N 3.15Å; M1-F4 PolarHBondContact O-N 3.15Å; M1-F4 VanDerWaalsContact O-N 3.15Å | |||
| 2 | S | 55 | Low | 72.6 | Confident | 91 Ų | 91 | 106.4 Ų | 106.4 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -57.2 | -27.4 | -175.9 | 44.7 | 0 | 0 | 0 | 0 | 116.6 | F4 T5 D6 | S2-F4 PolarHBondContact O-N 3.12Å; S2-T5 WeakPolarHBondContact CA-OG1 3.28Å; S2-T5 PolarHBondContact O-N 3.05Å; S2-T5 PolarHBondContact O-OG1 3.09Å; S2-D6 WeakPolarHBondContact O-CB 3.25Å; S2-D6 PolarHBondContact O-N 3.14Å |
| 3 | W | 62.8 | Low | 73.5 | Confident | 174 Ų | 174 | 104.9 Ų | 104.9 | 66% | 0.659 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65 | -28.7 | 178.2 | 78.2 | -88 | 0 | 0 | 0 | 113.1 | M1 L7 | M1-W3 VanDerWaalsContact C-N 3.29Å; M1-W3 PolarHBondContact O-N 2.65Å; M1-W3 VanDerWaalsContact O-N 3.15Å; W3-L7 HydrophobicContact CZ3-CD2 4.35Å; W3-L7 VanDerWaalsContact O-CB 3.24Å; W3-L7 WeakPolarHBondContact O-CB 3.42Å; W3-L7 PolarHBondContact O-N 3.48Å |
| 4 | F | 62.8 | Low | 74.6 | Confident | 133 Ų | 133 | 107.6 Ų | 107.6 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.1 | -36.7 | 174.9 | -111.7 | -80.7 | 0 | 0 | 0 | 112.3 | M1 S2 A8 | M1-F4 PolarHBondContact O-N 3.15Å; M1-F4 VanDerWaalsContact O-N 3.15Å; S2-F4 PolarHBondContact O-N 3.12Å; F4-A8 VanDerWaalsContact O-CB 3.23Å; F4-A8 WeakPolarHBondContact O-CB 3.41Å; F4-A8 PolarHBondContact O-N 3.2Å |
| 5 | T | 75.7 | Confident | 75.3 | Confident | 100 Ų | 100 | 107.8 Ų | 107.8 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.7 | -36.1 | 175.1 | 49.3 | 0 | 0 | 0 | 0 | 112 | S2 A8 G9 | S2-T5 WeakPolarHBondContact CA-OG1 3.28Å; S2-T5 PolarHBondContact O-N 3.05Å; S2-T5 PolarHBondContact O-OG1 3.09Å; T5-A8 PolarHBondContact O-N 2.68Å; T5-G9 PolarHBondContact O-N 3.5Å |
| 6 | D | 69.8 | Low | 76 | Confident | 89 Ų | 89 | 105.9 Ų | 105.9 | 48% | 0.476 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.6 | -36.9 | 175.6 | -178.4 | 60.4 | 0 | 0 | 0 | 111.9 | S2 K10 | S2-D6 WeakPolarHBondContact O-CB 3.25Å; S2-D6 PolarHBondContact O-N 3.14Å; D6-K10 WeakPolarHBondContact O-CB 3.32Å; D6-K10 WeakPolarHBondContact O-CD 3.4Å; D6-K10 VanDerWaalsContact O-CG 3.28Å; D6-K10 WeakPolarHBondContact O-CG 3.33Å; D6-K10 PolarHBondContact O-N 2.66Å; D6-K10 VanDerWaalsContact O-N 3.1Å; D6-K10 WeakPolarHBondContact OD1-CE 3.26Å; D6-K10 IonicContact OD1-NZ 2.76Å; D6-K10 PolarHBondContact OD1-NZ 3.49Å; D6-K10 VanDerWaalsContact OD1-NZ 3.13Å; D6-K10 IonicContact OD2-NZ 3.26Å; D6-K10 PolarHBondContact OD2-NZ 2.71Å |
| 7 | L | 75.8 | Confident | 76.6 | Confident | 96 Ų | 96 | 106.8 Ų | 106.8 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.9 | -39.3 | 170.7 | -175.3 | 62.3 | 0 | 0 | 0 | 112.4 | W3 K10 A11 | W3-L7 HydrophobicContact CZ3-CD2 4.35Å; W3-L7 VanDerWaalsContact O-CB 3.24Å; W3-L7 WeakPolarHBondContact O-CB 3.42Å; W3-L7 PolarHBondContact O-N 3.48Å; L7-K10 PolarHBondContact O-N 3.28Å; L7-A11 WeakPolarHBondContact O-CB 3.38Å; L7-A11 PolarHBondContact O-N 3.41Å |
| 8 | A | 76.8 | Confident | 77.1 | Confident | 57 Ų | 57 | 104.8 Ų | 104.8 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F4 T5 K10 A11 E12 | F4-A8 VanDerWaalsContact O-CB 3.23Å; F4-A8 WeakPolarHBondContact O-CB 3.41Å; F4-A8 PolarHBondContact O-N 3.2Å; T5-A8 PolarHBondContact O-N 2.68Å; A8-K10 VanDerWaalsContact C-N 3.31Å; A8-K10 PolarHBondContact O-N 3.32Å; A8-A11 WeakPolarHBondContact O-CB 3.22Å; A8-A11 PolarHBondContact O-N 3.43Å; A8-A11 VanDerWaalsContact O-N 3.11Å; A8-E12 PolarHBondContact O-N 2.94Å |
| 9 | G | 82.4 | Confident | 77.4 | Confident | 32 Ų | 32 | 104.4 Ų | 104.4 | 33% | 0.33 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T5 A11 E12 D13 | T5-G9 PolarHBondContact O-N 3.5Å; G9-A11 VanDerWaalsContact C-N 3.35Å; G9-A11 PolarHBondContact O-N 3.25Å; G9-E12 PolarHBondContact O-N 2.78Å; G9-D13 WeakPolarHBondContact O-CB 3.44Å; G9-D13 PolarHBondContact O-N 2.82Å |
| 10 | K | 84.7 | Confident | 77.5 | Confident | 121 Ų | 121 | 105.7 Ų | 105.7 | 53% | 0.526 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.9 | -31 | 174.9 | -73.8 | 163.8 | -172.9 | 166.7 | 0 | 113.4 | D6 L7 A8 F14 | D6-K10 WeakPolarHBondContact O-CB 3.32Å; D6-K10 WeakPolarHBondContact O-CD 3.4Å; D6-K10 VanDerWaalsContact O-CG 3.28Å; D6-K10 WeakPolarHBondContact O-CG 3.33Å; D6-K10 PolarHBondContact O-N 2.66Å; D6-K10 VanDerWaalsContact O-N 3.1Å; D6-K10 WeakPolarHBondContact OD1-CE 3.26Å; D6-K10 IonicContact OD1-NZ 2.76Å; D6-K10 PolarHBondContact OD1-NZ 3.49Å; D6-K10 VanDerWaalsContact OD1-NZ 3.13Å; D6-K10 IonicContact OD2-NZ 3.26Å; D6-K10 PolarHBondContact OD2-NZ 2.71Å; L7-K10 PolarHBondContact O-N 3.28Å; A8-K10 VanDerWaalsContact C-N 3.31Å; A8-K10 PolarHBondContact O-N 3.32Å; K10-F14 WeakPolarHBondContact O-CB 3.29Å; K10-F14 PolarHBondContact O-N 2.7Å; K10-F14 VanDerWaalsContact O-N 3.11Å |
| 11 | A | 85.4 | Confident | 77.7 | Confident | 57 Ų | 57 | 102.4 Ų | 102.4 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.7 | -38.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L7 A8 G9 F14 L15 | L7-A11 WeakPolarHBondContact O-CB 3.38Å; L7-A11 PolarHBondContact O-N 3.41Å; A8-A11 WeakPolarHBondContact O-CB 3.22Å; A8-A11 PolarHBondContact O-N 3.43Å; A8-A11 VanDerWaalsContact O-N 3.11Å; G9-A11 VanDerWaalsContact C-N 3.35Å; G9-A11 PolarHBondContact O-N 3.25Å; A11-F14 PolarHBondContact O-N 3.47Å; A11-L15 PolarHBondContact O-N 3.34Å |
| 12 | E | 88.2 | Confident | 78.8 | Confident | 127 Ų | 127 | 95.1 Ų | 95.1 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 173.4 | -176.1 | 174.4 | -174.8 | 0 | 0 | 111.4 | A8 G9 F14 L15 N16 | A8-E12 PolarHBondContact O-N 2.94Å; G9-E12 PolarHBondContact O-N 2.78Å; E12-F14 VanDerWaalsContact C-N 3.27Å; E12-F14 PolarHBondContact O-N 2.76Å; E12-L15 PolarHBondContact O-N 3.02Å; E12-N16 WeakPolarHBondContact O-CB 3.13Å; E12-N16 PolarHBondContact O-N 3.43Å; E12-N16 PolarHBondContact O-ND2 2.82Å |
| 13 | D | 85.3 | Confident | 79.5 | Confident | 87 Ų | 87 | 93.5 Ų | 93.5 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59 | -37.2 | 172.7 | -124.5 | 36.7 | 0 | 0 | 0 | 112.6 | G9 K17 | G9-D13 WeakPolarHBondContact O-CB 3.44Å; G9-D13 PolarHBondContact O-N 2.82Å; D13-K17 WeakPolarHBondContact O-CB 3.45Å; D13-K17 VanDerWaalsContact O-CD 3.27Å; D13-K17 WeakPolarHBondContact O-CD 3.19Å; D13-K17 VanDerWaalsContact O-CG 3.24Å; D13-K17 WeakPolarHBondContact O-CG 3.31Å; D13-K17 PolarHBondContact O-N 2.94Å; D13-K17 IonicContact OD2-NZ 3.66Å; D13-K17 PolarHBondContact OD2-NZ 3.1Å |
| 14 | F | 87.8 | Confident | 79.9 | Confident | 143 Ų | 143 | 89.3 Ų | 89.3 | 63% | 0.627 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.8 | -43.6 | 175.6 | -175.1 | -97 | 0 | 0 | 0 | 111.4 | K10 A11 E12 K17 V18 | K10-F14 WeakPolarHBondContact O-CB 3.29Å; K10-F14 PolarHBondContact O-N 2.7Å; K10-F14 VanDerWaalsContact O-N 3.11Å; A11-F14 PolarHBondContact O-N 3.47Å; E12-F14 VanDerWaalsContact C-N 3.27Å; E12-F14 PolarHBondContact O-N 2.76Å; F14-K17 PolarHBondContact O-N 2.97Å; F14-V18 HydrophobicContact CD1-CG2 4.1Å; F14-V18 HydrophobicContact CE1-CG2 3.73Å; F14-V18 HydrophobicContact CZ-CG2 4.04Å; F14-V18 WeakPolarHBondContact O-CG2 3.26Å; F14-V18 PolarHBondContact O-N 3.04Å |
| 15 | L | 85.9 | Confident | 80.3 | Confident | 110 Ų | 110 | 85.6 Ų | 85.6 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.4 | -46.6 | 177.1 | -146.3 | 81.6 | 0 | 0 | 0 | 111.2 | A11 E12 K17 V18 D19 | A11-L15 PolarHBondContact O-N 3.34Å; E12-L15 PolarHBondContact O-N 3.02Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.48Å; L15-V18 PolarHBondContact O-N 3.25Å; L15-V18 VanDerWaalsContact O-N 3.09Å; L15-D19 PolarHBondContact O-N 2.92Å |
| 16 | N | 85.8 | Confident | 79.6 | Confident | 77 Ų | 77 | 86.8 Ų | 86.8 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -36.7 | 175.5 | -78.6 | -48.8 | 0 | 0 | 0 | 112.5 | E12 Q20 | E12-N16 WeakPolarHBondContact O-CB 3.13Å; E12-N16 PolarHBondContact O-N 3.43Å; E12-N16 PolarHBondContact O-ND2 2.82Å; N16-Q20 WeakPolarHBondContact O-CB 3.21Å; N16-Q20 VanDerWaalsContact O-CG 3.23Å; N16-Q20 WeakPolarHBondContact O-CG 3.3Å; N16-Q20 PolarHBondContact O-N 3.35Å |
| 17 | K | 86.3 | Confident | 79.3 | Confident | 122 Ų | 122 | 85.8 Ų | 85.8 | 53% | 0.53 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.7 | -34.8 | 174.4 | -74.4 | 163.2 | -170 | 145.7 | 0 | 112.5 | D13 F14 L15 G21 | D13-K17 WeakPolarHBondContact O-CB 3.45Å; D13-K17 VanDerWaalsContact O-CD 3.27Å; D13-K17 WeakPolarHBondContact O-CD 3.19Å; D13-K17 VanDerWaalsContact O-CG 3.24Å; D13-K17 WeakPolarHBondContact O-CG 3.31Å; D13-K17 PolarHBondContact O-N 2.94Å; D13-K17 IonicContact OD2-NZ 3.66Å; D13-K17 PolarHBondContact OD2-NZ 3.1Å; F14-K17 PolarHBondContact O-N 2.97Å; L15-K17 VanDerWaalsContact C-N 3.28Å; L15-K17 PolarHBondContact O-N 3.48Å; K17-G21 PolarHBondContact O-N 3.12Å |
| 18 | V | 86.8 | Confident | 78.5 | Confident | 71 Ų | 71 | 89 Ų | 89 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 173.1 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | F14 L15 G21 A22 | F14-V18 HydrophobicContact CD1-CG2 4.1Å; F14-V18 HydrophobicContact CE1-CG2 3.73Å; F14-V18 HydrophobicContact CZ-CG2 4.04Å; F14-V18 WeakPolarHBondContact O-CG2 3.26Å; F14-V18 PolarHBondContact O-N 3.04Å; L15-V18 PolarHBondContact O-N 3.25Å; L15-V18 VanDerWaalsContact O-N 3.09Å; V18-G21 CarbonylContact O-C 3.59Å; V18-G21 WeakPolarHBondContact O-CA 3.36Å; V18-G21 PolarHBondContact O-N 3.23Å; V18-G21 VanDerWaalsContact O-N 3.17Å; V18-A22 WeakPolarHBondContact O-CB 3.33Å; V18-A22 PolarHBondContact O-N 3.5Å |
| 19 | D | 82.4 | Confident | 77.3 | Confident | 97 Ų | 97 | 92.3 Ų | 92.3 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 178.6 | -80.3 | -4.8 | 0 | 0 | 0 | 112.3 | L15 G21 A22 A23 | L15-D19 PolarHBondContact O-N 2.92Å; D19-G21 VanDerWaalsContact C-N 3.32Å; D19-G21 PolarHBondContact O-N 3.19Å; D19-A22 PolarHBondContact O-N 3.43Å; D19-A23 VanDerWaalsContact O-CB 3.25Å; D19-A23 WeakPolarHBondContact O-CB 3.28Å; D19-A23 PolarHBondContact O-N 2.96Å |
| 20 | Q | 79.8 | Confident | 75.9 | Confident | 130 Ų | 130 | 98.6 Ų | 98.6 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -36.9 | 169.8 | -73.9 | 176.4 | 14.8 | 0 | 0 | 112.1 | N16 T24 | N16-Q20 WeakPolarHBondContact O-CB 3.21Å; N16-Q20 VanDerWaalsContact O-CG 3.23Å; N16-Q20 WeakPolarHBondContact O-CG 3.3Å; N16-Q20 PolarHBondContact O-N 3.35Å; Q20-T24 WeakPolarHBondContact O-CB 3.41Å; Q20-T24 WeakPolarHBondContact O-CG2 3.25Å; Q20-T24 PolarHBondContact O-N 3.18Å; Q20-T24 PolarHBondContact O-OG1 3.41Å |
| 21 | G | 81.2 | Confident | 74.3 | Confident | 36 Ų | 36 | 96.1 Ų | 96.1 | 37% | 0.371 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K17 V18 D19 T24 A25 | K17-G21 PolarHBondContact O-N 3.12Å; V18-G21 CarbonylContact O-C 3.59Å; V18-G21 WeakPolarHBondContact O-CA 3.36Å; V18-G21 PolarHBondContact O-N 3.23Å; V18-G21 VanDerWaalsContact O-N 3.17Å; D19-G21 VanDerWaalsContact C-N 3.32Å; D19-G21 PolarHBondContact O-N 3.19Å; G21-T24 PolarHBondContact O-OG1 3.4Å; G21-A25 WeakPolarHBondContact O-CB 3.27Å; G21-A25 PolarHBondContact O-N 2.97Å |
| 22 | A | 73.7 | Confident | 72.5 | Confident | 47 Ų | 47 | 97.1 Ų | 97.1 | 39% | 0.388 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.3 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V18 D19 A25 L26 | V18-A22 WeakPolarHBondContact O-CB 3.33Å; V18-A22 PolarHBondContact O-N 3.5Å; D19-A22 PolarHBondContact O-N 3.43Å; A22-A25 PolarHBondContact O-N 3.39Å; A22-L26 WeakPolarHBondContact O-CB 3.47Å; A22-L26 WeakPolarHBondContact O-CG 3.48Å; A22-L26 PolarHBondContact O-N 3.25Å |
| 23 | A | 69.6 | Low | 70.4 | Confident | 58 Ų | 58 | 94.5 Ų | 94.5 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D19 L26 S27 | D19-A23 VanDerWaalsContact O-CB 3.25Å; D19-A23 WeakPolarHBondContact O-CB 3.28Å; D19-A23 PolarHBondContact O-N 2.96Å; A23-L26 PolarHBondContact O-N 2.88Å; A23-S27 PolarHBondContact O-N 3.34Å; A23-S27 PolarHBondContact O-OG 2.76Å |
| 24 | T | 72.9 | Confident | 68.3 | Low | 86 Ų | 86 | 94.8 Ų | 94.8 | 53% | 0.528 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.1 | -31.7 | 175.2 | 50.3 | 0 | 0 | 0 | 0 | 113 | Q20 G21 S27 K28 | Q20-T24 WeakPolarHBondContact O-CB 3.41Å; Q20-T24 WeakPolarHBondContact O-CG2 3.25Å; Q20-T24 PolarHBondContact O-N 3.18Å; Q20-T24 PolarHBondContact O-OG1 3.41Å; G21-T24 PolarHBondContact O-OG1 3.4Å; T24-S27 PolarHBondContact O-OG 3.13Å; T24-K28 WeakPolarHBondContact O-CB 3.38Å; T24-K28 PolarHBondContact O-N 3.31Å |
| 25 | A | 69.9 | Low | 66.1 | Low | 54 Ų | 54 | 92.6 Ų | 92.6 | 45% | 0.446 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.1 | -40.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G21 A22 N29 | G21-A25 WeakPolarHBondContact O-CB 3.27Å; G21-A25 PolarHBondContact O-N 2.97Å; A22-A25 PolarHBondContact O-N 3.39Å; A25-N29 PolarHBondContact O-N 2.72Å; A25-N29 VanDerWaalsContact O-N 3.13Å |
| 26 | L | 61 | Low | 63.6 | Low | 126 Ų | 126 | 96.5 Ų | 96.5 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.5 | -46.7 | 175.1 | -82.2 | 161.8 | 0 | 0 | 0 | 112.2 | A22 A23 K28 N29 Q30 | A22-L26 WeakPolarHBondContact O-CB 3.47Å; A22-L26 WeakPolarHBondContact O-CG 3.48Å; A22-L26 PolarHBondContact O-N 3.25Å; A23-L26 PolarHBondContact O-N 2.88Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 2.77Å; L26-N29 PolarHBondContact O-N 3.45Å; L26-Q30 PolarHBondContact O-N 2.61Å |
| 27 | S | 63.1 | Low | 61 | Low | 67 Ų | 67 | 98.5 Ų | 98.5 | 47% | 0.469 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.8 | -36.9 | 177.7 | 71 | 0 | 0 | 0 | 0 | 112.2 | A23 T24 Q30 A31 | A23-S27 PolarHBondContact O-N 3.34Å; A23-S27 PolarHBondContact O-OG 2.76Å; T24-S27 PolarHBondContact O-OG 3.13Å; S27-Q30 PolarHBondContact O-N 2.8Å; S27-A31 WeakPolarHBondContact O-CB 3.37Å; S27-A31 PolarHBondContact O-N 2.82Å |
| 28 | K | 59.9 | Low | 58.4 | Low | 163 Ų | 163 | 100.6 Ų | 100.6 | 71% | 0.709 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65 | -37.7 | 176 | -170.6 | 171.1 | -175.7 | 175.7 | 0 | 113 | T24 L26 A32 | T24-K28 WeakPolarHBondContact O-CB 3.38Å; T24-K28 PolarHBondContact O-N 3.31Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 2.77Å; K28-A32 PolarHBondContact O-N 3.35Å |
| 29 | N | 52.2 | Low | 57 | Low | 128 Ų | 128 | 102.4 Ų | 102.4 | 68% | 0.684 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.9 | -35.3 | 172 | -86.7 | -25 | 0 | 0 | 0 | 112.4 | A25 L26 A32 | A25-N29 PolarHBondContact O-N 2.72Å; A25-N29 VanDerWaalsContact O-N 3.13Å; L26-N29 PolarHBondContact O-N 3.45Å; N29-A32 PolarHBondContact O-N 3.23Å |
| 30 | Q | 52.9 | Low | 54.5 | Low | 163 Ų | 163 | 108.3 Ų | 108.3 | 76% | 0.762 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.9 | -37 | 178.1 | -161.2 | 170.1 | 97.6 | 0 | 0 | 112.1 | L26 S27 A32 G33 | L26-Q30 PolarHBondContact O-N 2.61Å; S27-Q30 PolarHBondContact O-N 2.8Å; Q30-A32 VanDerWaalsContact C-N 3.31Å; Q30-A32 PolarHBondContact O-N 2.81Å; Q30-G33 PolarHBondContact O-N 2.86Å |
| 31 | A | 49.6 | Very low | 52.2 | Low | 70 Ų | 70 | 105 Ų | 105 | 58% | 0.579 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.7 | -24 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S27 G33 | S27-A31 WeakPolarHBondContact O-CB 3.37Å; S27-A31 PolarHBondContact O-N 2.82Å; A31-G33 VanDerWaalsContact C-N 3.3Å; A31-G33 PolarHBondContact O-N 3Å |
| 32 | A | 47.9 | Very low | 49.9 | Very low | 77 Ų | 77 | 111.6 Ų | 111.6 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74.8 | -17.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K28 N29 Q30 | K28-A32 PolarHBondContact O-N 3.35Å; N29-A32 PolarHBondContact O-N 3.23Å; Q30-A32 VanDerWaalsContact C-N 3.31Å; Q30-A32 PolarHBondContact O-N 2.81Å |
| 33 | G | 44.3 | Very low | 47.8 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -4.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q30 A31 | Q30-G33 PolarHBondContact O-N 2.86Å; A31-G33 VanDerWaalsContact C-N 3.3Å; A31-G33 PolarHBondContact O-N 3Å |
| 34 | S | 40.9 | Very low | 45.9 | Very low | 92 Ų | 92 | 119.8 Ų | 119.8 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | trans | -125.8 | 19 | -167.1 | 53.5 | 0 | 0 | 0 | 0 | 115 | F36 | S34-F36 VanDerWaalsContact C-N 3.34Å; S34-F36 PolarHBondContact O-N 3.25Å | ||
| 35 | A | 41.2 | Very low | 43.9 | Very low | 97 Ų | 97 | 120 Ų | 120 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | -76.9 | 69 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 36 | F | 34.6 | Very low | 42 | Very low | 193 Ų | 193 | 123.6 Ų | 123.6 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -145.3 | 75.2 | 165.8 | -165.7 | -96.4 | 0 | 0 | 0 | 113.7 | S34 | S34-F36 VanDerWaalsContact C-N 3.34Å; S34-F36 PolarHBondContact O-N 3.25Å | ||
| 37 | S | 30.9 | Very low | 40.6 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | 177.1 | 159 | 141.7 | 35.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 38 | L | 32.6 | Very low | 39.1 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | -142.9 | 161.3 | 178.9 | -79.2 | 166.5 | 0 | 0 | 0 | 107.3 | ||||
| 39 | P | 56.7 | Low | 37.7 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | cis | -137.5 | -155.5 | -30.8 | 38.7 | -19.9 | 0 | 0 | 0 | 111.5 | ||||
| 40 | Y | 29.9 | Very low | 37.3 | Very low | 220 Ų | 220 | 129.8 Ų | 129.8 | 86% | 0.863 | 76% | 0.756 | S | S | * | * | trans | 97.3 | 143.9 | 149.9 | -136.7 | -89.1 | 0 | 0 | 0 | 119.9 | ||||
| 41 | G | 31.3 | Very low | 36.8 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | trans | 77.7 | 117.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 42 | E | 32.1 | Very low | 36 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | cis | 87 | 123.8 | 33.9 | -165.9 | 163.3 | -133.9 | 0 | 0 | 114.6 | ||||
| 43 | E | 30.7 | Very low | 35.2 | Very low | 175 Ų | 175 | 128.8 Ų | 128.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 51.5 | 152.8 | 171.2 | -72.7 | -164.4 | 144.1 | 0 | 0 | 118.9 | ||||
| 44 | S | 29.9 | Very low | 34.7 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | cis | 170.6 | 164.1 | -23.2 | -97.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 45 | A | 30.8 | Very low | 34.3 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | 73.5 | 112.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 46 | V | 30.7 | Very low | 33.9 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | 54.5 | 119.6 | 123.2 | -175.1 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 47 | T | 31 | Very low | 33.6 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | -168.1 | 149.7 | 103.1 | -62 | 0 | 0 | 0 | 0 | 110 | |||||
| 48 | D | 30.6 | Very low | 33.7 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -56 | 156.3 | 169.2 | -58.4 | -91.1 | 0 | 0 | 0 | 113.4 | ||||
| 49 | Y | 31.3 | Very low | 33.6 | Very low | 219 Ų | 219 | 138.8 Ų | 138.8 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | -173.1 | 125.7 | 104.6 | -113.3 | -82.2 | 0 | 0 | 0 | 111.4 | |||||
| 50 | N | 43.8 | Very low | 32.4 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -112.3 | 131.4 | 164 | -179.9 | 4.5 | 0 | 0 | 0 | 108.1 | A52 | N50-A52 PolarHBondContact OD1-N 2.87Š| ||
| 51 | P | 41.9 | Very low | 32.5 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -129.1 | 128.7 | 144.6 | 32.7 | -20.6 | 0 | 0 | 0 | 112.3 | ||||
| 52 | A | 33 | Very low | 32.4 | Very low | 89 Ų | 89 | 139.9 Ų | 139.9 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -76 | 148.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N50 | N50-A52 PolarHBondContact OD1-N 2.87Š| ||
| 53 | A | 31.9 | Very low | 32.4 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | -154.6 | 98.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 54 | Y | 33.3 | Very low | 32.2 | Very low | 203 Ų | 203 | 135 Ų | 135 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | 45.3 | 129.4 | 133.5 | -61.9 | -65.1 | 0 | 0 | 0 | 123.7 | ||||
| 55 | K | 33.2 | Very low | 32.4 | Very low | 186 Ų | 186 | 140 Ų | 140 | 81% | 0.809 | 77% | 0.767 | S | S | * | * | trans | 72.5 | 157.9 | 134.3 | -68.9 | -178.8 | 179.5 | -178.3 | 0 | 117.8 | ||||
| 56 | T | 31.4 | Very low | 33.4 | Very low | 102 Ų | 102 | 141 Ų | 141 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | cis | -165.1 | 153.6 | -18.8 | -97.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 57 | E | 29.2 | Very low | 33.5 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | 80.4 | 157.3 | 157.3 | -95.1 | 161.6 | -125.4 | 0 | 0 | 124.6 | ||||
| 58 | K | 32.5 | Very low | 33.7 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -63.1 | 170.4 | 172.3 | -51.7 | 157.4 | 179.8 | 170.5 | 0 | 109.7 | ||||
| 59 | A | 30.6 | Very low | 33.9 | Very low | 86 Ų | 86 | 143.5 Ų | 143.5 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | -166.6 | 158.9 | 31.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 60 | V | 31.4 | Very low | 34 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | 23.8 | 118.7 | 138.8 | -174.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 61 | T | 31.5 | Very low | 33.6 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | -156.9 | 170.6 | 125.4 | -7.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 62 | H | 30.2 | Very low | 34.2 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -115.5 | 171.8 | -166.6 | -86 | -134.5 | 0 | 0 | 0 | 114.4 | ||||
| 63 | H | 31.9 | Very low | 34.1 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 88.2 | 136.2 | 153 | -61.9 | -65 | 0 | 0 | 0 | 120 | ||||
| 64 | G | 26.6 | Very low | 34.3 | Very low | 79 Ų | 79 | 144 Ų | 144 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | 173.9 | 62 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 65 | Y | 34.4 | Very low | 34.5 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -64.6 | 179.3 | 173.7 | -85.7 | -67 | 0 | 0 | 0 | 114.3 | ||||
| 66 | P | 52 | Low | 34.4 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | cis | -141.2 | -169.3 | -25.8 | 33.3 | -11.6 | 0 | 0 | 0 | 115.3 | ||||
| 67 | S | 31.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 92.5 | 156.6 | 136.7 | -158.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 68 | S | 35.2 | Very low | 35 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | cis | -178.3 | 141.8 | -44.1 | -166.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 69 | R | 34.5 | Very low | 35.1 | Very low | 231 Ų | 231 | 129.4 Ų | 129.4 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | 164.2 | 129.8 | 154 | -97 | 170.8 | 142.7 | 118 | -1.2 | 108.1 | ||||
| 70 | D | 34.5 | Very low | 35.2 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | cis | 74.6 | 129.8 | 48.3 | -63.4 | -44 | 0 | 0 | 0 | 114.3 | ||||
| 71 | A | 35.2 | Very low | 35.4 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | -157.6 | -140.2 | -9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 72 | P | 53.2 | Low | 35.5 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | -132.5 | 175.8 | -119.3 | 41.5 | -22 | 0 | 0 | 0 | 117.6 | |||||
| 73 | S | 31.8 | Very low | 35.6 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -171.8 | 120.6 | 148.7 | -173.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 74 | Y | 36.4 | Very low | 35.8 | Very low | 208 Ų | 208 | 134 Ų | 134 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | 19.3 | 152.3 | 138.4 | -53.6 | -65.8 | 0 | 0 | 0 | 122.5 | ||||
| 75 | I | 36 | Very low | 36.1 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | cis | -160.5 | 169.9 | 8.4 | -129.6 | 161.9 | 0 | 0 | 0 | 112.8 | ||||
| 76 | S | 32.6 | Very low | 35.9 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 69.6 | 136.2 | 168.9 | -73.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 77 | A | 33.5 | Very low | 34.9 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | 136.1 | 93.9 | -19.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 78 | A | 38.4 | Very low | 34.9 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -171.7 | 103.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 79 | A | 35.8 | Very low | 34.9 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | 58.5 | 114.1 | 70.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 80 | G | 31.9 | Very low | 34.9 | Very low | 64 Ų | 64 | 132.6 Ų | 132.6 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | cis | 143.7 | 117.3 | -14.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 81 | N | 35.4 | Very low | 34.9 | Very low | 167 Ų | 167 | 131 Ų | 131 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | 66 | 170.8 | 172.6 | -55.2 | -40.6 | 0 | 0 | 0 | 114.1 | ||||
| 82 | V | 33.7 | Very low | 34.8 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | cis | -137.6 | 146.9 | 14.4 | -158.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 83 | K | 33.6 | Very low | 33.9 | Very low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -39.2 | 152.6 | 159.9 | -123.6 | 165.4 | 178.1 | 172.3 | 0 | 116.8 | ||||
| 84 | K | 36.3 | Very low | 33.9 | Very low | 202 Ų | 202 | 130.4 Ų | 130.4 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | -17.6 | 138.4 | 158.4 | -55.5 | 177.2 | 176.9 | -175 | 0 | 118.3 | ||||
| 85 | S | 32 | Very low | 33.8 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -159.5 | 157.8 | 136 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 86 | S | 31.1 | Very low | 33.8 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -91 | 157.1 | -179.6 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 87 | A | 30.7 | Very low | 34.6 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -142.2 | 155.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 88 | T | 32.3 | Very low | 34.7 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 77% | 0.767 | 82% | 0.817 | S | S | * | * | trans | -120.2 | 171.5 | -169.3 | -51.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 89 | L | 34.3 | Very low | 34.7 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | trans | 81 | 146.7 | 178.8 | -44.2 | 172 | 0 | 0 | 0 | 112.4 | ||||
| 90 | L | 35 | Very low | 35.5 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | cis | -127.6 | -174.7 | 21.4 | -79.8 | 161.7 | 0 | 0 | 0 | 113.7 | ||||
| 91 | A | 33.3 | Very low | 35.6 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -122.7 | 161.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 92 | G | 32.7 | Very low | 35.3 | Very low | 60 Ų | 60 | 128.5 Ų | 128.5 | 62% | 0.619 | 81% | 0.81 | S | S | * | * | trans | 161.2 | 115 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 93 | T | 35.2 | Very low | 35.3 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | 57.1 | 127.1 | 68.4 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 94 | A | 31.8 | Very low | 35.2 | Very low | 87 Ų | 87 | 122.7 Ų | 122.7 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | cis | -158.1 | 175.8 | 17.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 95 | N | 33.8 | Very low | 35.2 | Very low | 161 Ų | 161 | 120 Ų | 120 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | 72.6 | 132.1 | 153.4 | -74.5 | 16.3 | 0 | 0 | 0 | 122.9 | ||||
| 96 | V | 35.7 | Very low | 35.4 | Very low | 131 Ų | 131 | 119.8 Ų | 119.8 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -116.1 | 156.8 | 162.8 | 170.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 97 | P | 49.3 | Very low | 35.7 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -125.1 | 144.8 | 141.1 | 35.6 | -27.9 | 0 | 0 | 0 | 112.9 | ||||
| 98 | S | 37.1 | Very low | 36.7 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -79.6 | 178.9 | 166.5 | 57.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 99 | N | 37.7 | Very low | 36.6 | Very low | 143 Ų | 143 | 121.2 Ų | 121.2 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | cis | -172.2 | -166.4 | 29.7 | -136.6 | 7.5 | 0 | 0 | 0 | 107.2 | ||||
| 100 | P | 53.8 | Low | 36.8 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 60% | 0.604 | 81% | 0.813 | S | S | * | * | cis | -130.4 | -176.3 | -49.3 | 36.2 | -18.8 | 0 | 0 | 0 | 114.3 | ||||
| 101 | S | 32.5 | Very low | 36.6 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | 74.7 | 126 | 147.2 | -63 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 102 | G | 30.3 | Very low | 36.6 | Very low | 83 Ų | 83 | 122.4 Ų | 122.4 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 167.6 | 99.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 103 | S | 34.1 | Very low | 37 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 92% | 0.923 | 82% | 0.821 | S | S | * | * | trans | -93.1 | 144.7 | -176.2 | 46.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 104 | G | 31 | Very low | 36.8 | Very low | 77 Ų | 77 | 121.4 Ų | 121.4 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -169.6 | 122 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 105 | V | 36.6 | Very low | 36.9 | Very low | 144 Ų | 144 | 126.2 Ų | 126.2 | 87% | 0.873 | 82% | 0.822 | S | S | * | * | trans | -124.1 | 132 | -178.2 | 172.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 106 | S | 34.5 | Very low | 36.8 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | 174.8 | 167.1 | 141.2 | 39.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 107 | N | 37.2 | Very low | 36.9 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -108.3 | 169.9 | -167.6 | -114.7 | -5.7 | 0 | 0 | 0 | 112.7 | ||||
| 108 | P | 52.8 | Low | 36.5 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -86.6 | 162.6 | -165.4 | 35 | -37.7 | 0 | 0 | 0 | 115 | ||||
| 109 | A | 31.1 | Very low | 36.5 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -137.5 | 149.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 110 | K | 36.5 | Very low | 36.5 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -86.4 | 152.2 | 175.2 | -56.5 | 169.5 | -179.2 | 173.9 | 0 | 110.4 | ||||
| 111 | T | 32.5 | Very low | 35.5 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 93% | 0.933 | 83% | 0.833 | S | S | * | * | trans | -162.4 | 173.4 | 139.8 | 12.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 112 | S | 32.3 | Very low | 35.9 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | -131.7 | 149.5 | -158.4 | 55 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 113 | A | 41.3 | Very low | 36 | Very low | 108 Ų | 108 | 142 Ų | 142 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | 63.5 | 142.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 114 | G | 30.4 | Very low | 36.3 | Very low | 81 Ų | 81 | 143.4 Ų | 143.4 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | 170.2 | 111 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 115 | F | 33.6 | Very low | 36.8 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -116.3 | 126.8 | 176.9 | 171.9 | -85.7 | 0 | 0 | 0 | 109.6 | ||||
| 116 | V | 32.6 | Very low | 37 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | -142.8 | 148.1 | -178.7 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 117 | R | 38.8 | Very low | 37.5 | Very low | 211 Ų | 211 | 145 Ų | 145 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -148.5 | 127.8 | -175.9 | 177.3 | -166.3 | -172.9 | -173.3 | 6.4 | 112 | ||||
| 118 | P | 40.4 | Very low | 38.2 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -107.1 | 152.4 | 151.7 | 33.4 | -23.6 | 0 | 0 | 0 | 110.8 | ||||
| 119 | K | 36 | Very low | 38 | Very low | 207 Ų | 207 | 145.7 Ų | 145.7 | 90% | 0.9 | 80% | 0.8 | S | S | * | * | cis | 106.1 | 156.1 | 24.8 | -89.1 | -94.2 | -177.8 | 168.3 | 0 | 113.1 | ||||
| 120 | K | 39.3 | Very low | 38.9 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 68% | 0.683 | 79% | 0.786 | S | S | * | * | trans | -132.8 | 153.7 | -149 | 179.4 | -161.8 | 176.5 | -161 | 0 | 110.5 | E122 | K120-E122 HydrophobicContact CD-CG 4.37Å; K120-E122 IonicContact NZ-OE1 3.65Å; K120-E122 PolarHBondContact NZ-OE1 3.28Å | ||
| 121 | S | 30.9 | Very low | 39.3 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -129 | 166.1 | 161.3 | 53.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 122 | E | 40.9 | Very low | 39.9 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -139.6 | 157.7 | -169.4 | -70.8 | 156.4 | 148.1 | 0 | 0 | 109.6 | K120 | K120-E122 HydrophobicContact CD-CG 4.37Å; K120-E122 IonicContact NZ-OE1 3.65Å; K120-E122 PolarHBondContact NZ-OE1 3.28Å | ||
| 123 | E | 34.1 | Very low | 40.7 | Very low | 199 Ų | 199 | 145 Ų | 145 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -159.6 | 138.3 | 160.7 | -118.6 | 165.9 | 179 | 0 | 0 | 109.8 | ||||
| 124 | D | 40.6 | Very low | 41.3 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -105.3 | 145.5 | -175.8 | -65.5 | -55.4 | 0 | 0 | 0 | 111.8 | ||||
| 125 | V | 39.6 | Very low | 41.9 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | trans | -150.9 | 122.4 | 156.3 | -172.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 126 | D | 40.6 | Very low | 41.9 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | trans | 42.1 | 101.1 | 154.7 | -50.8 | -15.1 | 0 | 0 | 0 | 122.5 | ||||
| 127 | D | 46.4 | Very low | 42.2 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -80.5 | -23.2 | 162.3 | -85.3 | -47.9 | 0 | 0 | 0 | 113.9 | M129 L130 | D127-M129 VanDerWaalsContact C-N 3.3Å; D127-M129 PolarHBondContact O-N 3.45Å; D127-L130 VanDerWaalsContact O-CB 3.24Å; D127-L130 WeakPolarHBondContact O-CB 3.44Å; D127-L130 PolarHBondContact O-N 3.45Å |
| 128 | D | 51.3 | Low | 41.8 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -65.4 | -26.9 | -165.4 | -77.1 | -25.8 | 0 | 0 | 0 | 114.2 | L130 | D128-L130 PolarHBondContact O-N 2.83Å |
| 129 | M | 48.1 | Very low | 42.5 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -69.6 | -14.9 | 174 | -72.9 | -168.3 | -71.8 | 0 | 0 | 113.6 | D127 | D127-M129 VanDerWaalsContact C-N 3.3Å; D127-M129 PolarHBondContact O-N 3.45Å |
| 130 | L | 49.9 | Very low | 42.9 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 57% | 0.571 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -81.4 | -27.5 | -177 | -147.9 | 74.7 | 0 | 0 | 0 | 112.7 | D127 D128 L134 | D127-L130 VanDerWaalsContact O-CB 3.24Å; D127-L130 WeakPolarHBondContact O-CB 3.44Å; D127-L130 PolarHBondContact O-N 3.45Å; D128-L130 PolarHBondContact O-N 2.83Å; L130-L134 WeakPolarHBondContact O-CG 3.23Å |
| 131 | F | 45.8 | Very low | 42.4 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 58% | 0.575 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -75.7 | -32.7 | -175.6 | -81.4 | -83.1 | 0 | 0 | 0 | 114.1 | L134 N135 | F131-L134 PolarHBondContact O-N 2.84Å; F131-N135 PolarHBondContact O-ND2 3.45Å |
| 132 | D | 44.1 | Very low | 42.5 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -69.9 | -33.5 | 175.5 | -90.8 | -0.7 | 0 | 0 | 0 | 112.1 | L134 | D132-L134 VanDerWaalsContact C-N 3.32Å; D132-L134 PolarHBondContact O-N 3.46Å |
| 133 | F | 50 | Low | 42 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 74% | 0.737 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -66.6 | -33.6 | 177.3 | -170.4 | -101.8 | 0 | 0 | 0 | 112.6 | N135 | F133-N135 PolarHBondContact O-N 2.81Å |
| 134 | L | 52.9 | Low | 41.8 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -10.1 | -175.6 | -70.5 | 170.3 | 0 | 0 | 0 | 114.8 | L130 F131 D132 | L130-L134 WeakPolarHBondContact O-CG 3.23Å; F131-L134 PolarHBondContact O-N 2.84Å; D132-L134 VanDerWaalsContact C-N 3.32Å; D132-L134 PolarHBondContact O-N 3.46Å |
| 135 | N | 43.2 | Very low | 41.2 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 7.1 | -172.1 | -82.1 | -56.4 | 0 | 0 | 0 | 115.3 | F131 F133 | F131-N135 PolarHBondContact O-ND2 3.45Å; F133-N135 PolarHBondContact O-N 2.81Å |
| 136 | S | 33.7 | Very low | 40.8 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | trans | -103.5 | 132.3 | 172.6 | 64 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 137 | S | 39.3 | Very low | 40.4 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -138.3 | 119 | -173.3 | -65.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 138 | D | 31.7 | Very low | 39.5 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | -178.2 | 161 | 126.5 | -99.5 | -17.9 | 0 | 0 | 0 | 112.9 | |||||
| 139 | P | 54.9 | Low | 38.6 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | trans | -89.2 | -174 | -177.4 | 41.3 | -39.5 | 0 | 0 | 0 | 111.9 | ||||
| 140 | P | 43.2 | Very low | 37.7 | Very low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | cis | -152.8 | -170 | 22.7 | 45.2 | -22.5 | 0 | 0 | 0 | 119.8 | ||||
| 141 | D | 28.3 | Very low | 36.9 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | 79.3 | 172.2 | 142.9 | -77 | -19.1 | 0 | 0 | 0 | 122.9 | ||||
| 142 | S | 34 | Very low | 36.1 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -125.4 | 138.6 | -144.1 | 63.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 143 | G | 30.3 | Very low | 35.3 | Very low | 74 Ų | 74 | 147.1 Ų | 147.1 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 112.7 | 147.2 | 131.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 144 | S | 29.9 | Very low | 35.1 | Very low | 130 Ų | 130 | 144 Ų | 144 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | 79.4 | 153.3 | 158.9 | -155.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 145 | S | 28.1 | Very low | 33.9 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 91.6 | 164.7 | 161.3 | -146.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 146 | R | 30.2 | Very low | 33 | Very low | 233 Ų | 233 | 145.9 Ų | 145.9 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -96.7 | -179.9 | -166.1 | -64.3 | 165.7 | 164.5 | 166.7 | -7.1 | 111.5 | ||||
| 147 | R | 32.7 | Very low | 33.5 | Very low | 226 Ų | 226 | 146.8 Ų | 146.8 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -2.5 | 141.9 | 149.3 | -73.7 | -174.6 | -178.5 | 170 | -2 | 116.1 | ||||
| 148 | D | 28.4 | Very low | 32.9 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | cis | -157.3 | -167.9 | 43.6 | -137.2 | -51.8 | 0 | 0 | 0 | 114.9 | ||||
| 149 | S | 32.5 | Very low | 32.8 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -95.7 | 128.3 | -164.2 | -42.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 150 | R | 28.3 | Very low | 31.6 | Very low | 253 Ų | 253 | 149.2 Ų | 149.2 | 96% | 0.955 | 79% | 0.793 | S | S | * | * | trans | -158 | 158.9 | 149.3 | -133.3 | 177.1 | 179 | -164.2 | -3.9 | 114 | ||||
| 151 | R | 34.1 | Very low | 30.8 | Very low | 220 Ų | 220 | 149.2 Ų | 149.2 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | -110.6 | 179.2 | 178.4 | -152.8 | -178.2 | -164.2 | 170.3 | 3.5 | 109.6 | ||||
| 152 | E | 28 | Very low | 30.9 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 101.3 | 148.8 | 169.2 | -51.5 | -70.4 | 107.5 | 0 | 0 | 116.8 | ||||
| 153 | L | 28.1 | Very low | 30.5 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -122.5 | -179.6 | -176.6 | -104.8 | 77.2 | 0 | 0 | 0 | 108.5 | ||||
| 154 | P | 44.5 | Very low | 31.2 | Very low | 103 Ų | 103 | 150.9 Ų | 150.9 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | cis | -136.2 | -168.1 | -17.4 | 34.9 | -13.5 | 0 | 0 | 0 | 114.8 | ||||
| 155 | K | 28.2 | Very low | 31.3 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | 75.3 | 100.2 | 156.4 | -70.7 | -180 | 176.4 | 179.8 | 0 | 121.6 | ||||
| 156 | A | 25.2 | Very low | 32.3 | Very low | 91 Ų | 91 | 150.5 Ų | 150.5 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | 33.5 | 155 | 107 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 157 | P | 42.8 | Very low | 33.6 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | cis | -148.6 | -176.8 | -23.9 | 39.7 | -19.4 | 0 | 0 | 0 | 117.6 | ||||
| 158 | V | 28 | Very low | 34.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | 85.7 | 143 | 141 | 147.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 159 | M | 29.9 | Very low | 34.5 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | 68.8 | 120.3 | 163.1 | -84.1 | 159.1 | 87.9 | 0 | 0 | 118.4 | ||||
| 160 | E | 28 | Very low | 34.5 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | 110.1 | 156.1 | 75.4 | -96.8 | -160.8 | 135.6 | 0 | 0 | 110.7 | |||||
| 161 | V | 28.3 | Very low | 34.8 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 62% | 0.624 | 75% | 0.749 | S | S | * | * | cis | -168.1 | 173.1 | -17.8 | 69.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 162 | H | 29.5 | Very low | 35.5 | Very low | 168 Ų | 168 | 127 Ų | 127 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | trans | 81.8 | 144.3 | 157 | -83.7 | 68.4 | 0 | 0 | 0 | 123 | ||||
| 163 | S | 25.4 | Very low | 35.8 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | -86.4 | -170.4 | 171.6 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 164 | P | 45.8 | Very low | 36 | Very low | 117 Ų | 117 | 123 Ų | 123 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | cis | -139.1 | -161 | 3.5 | 37.5 | -13.2 | 0 | 0 | 0 | 116.3 | ||||
| 165 | T | 30.6 | Very low | 35.1 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -62.8 | 179.7 | 175.7 | 23.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 166 | P | 49.8 | Very low | 35.2 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | cis | -130.8 | -128.3 | -23 | 37.1 | -15.4 | 0 | 0 | 0 | 110.2 | ||||
| 167 | P | 58.2 | Low | 35.6 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | -103.8 | -135.3 | -61.3 | 38.2 | -20.4 | 0 | 0 | 0 | 109.8 | |||||
| 168 | P | 47.9 | Very low | 35 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | cis | -134.7 | 169.8 | -26.1 | 41 | -23.3 | 0 | 0 | 0 | 117.7 | ||||
| 169 | S | 31.6 | Very low | 35.8 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | 23.4 | 136.5 | 145.6 | 67.3 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 170 | V | 31.9 | Very low | 35.8 | Very low | 136 Ų | 136 | 120 Ų | 120 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | -147.1 | 138.7 | 104.1 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 171 | T | 36.1 | Very low | 36.2 | Very low | 120 Ų | 120 | 119 Ų | 119 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | -132.6 | 147.4 | 165.7 | 54.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 172 | P | 46.9 | Very low | 37.8 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | -147.2 | 169.1 | 108.8 | 31.3 | -12.8 | 0 | 0 | 0 | 112.8 | |||||
| 173 | H | 35.5 | Very low | 38.7 | Very low | 173 Ų | 173 | 117.2 Ų | 117.2 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | cis | -176.3 | 176.1 | -13.3 | -95.8 | -27.3 | 0 | 0 | 0 | 105.7 | ||||
| 174 | A | 31.1 | Very low | 38.9 | Very low | 77 Ų | 77 | 117.3 Ų | 117.3 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | cis | -177.3 | 158.5 | -19.6 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 175 | N | 27.2 | Very low | 38.3 | Very low | 133 Ų | 133 | 117.9 Ų | 117.9 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | cis | -153.3 | 171 | -6.2 | -102.7 | 2.5 | 0 | 0 | 0 | 105.9 | ||||
| 176 | L | 29.7 | Very low | 38.4 | Very low | 151 Ų | 151 | 123.6 Ų | 123.6 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | cis | 64.4 | 133.9 | 49.4 | -48.2 | 177.4 | 0 | 0 | 0 | 112.9 | ||||
| 177 | S | 32.8 | Very low | 37.4 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | cis | -150.7 | 175.8 | 25.7 | -61.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 178 | A | 30.7 | Very low | 36.3 | Very low | 92 Ų | 92 | 122.6 Ų | 122.6 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -85.2 | -161.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 179 | P | 44.8 | Very low | 35.5 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | cis | -143.9 | -167.8 | 5.5 | 43.8 | -23.1 | 0 | 0 | 0 | 117 | ||||
| 180 | S | 30.5 | Very low | 35.8 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 123.8 | 150.2 | 151 | -50.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 181 | T | 36.1 | Very low | 35.7 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -153.4 | 173.7 | -174.8 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 182 | P | 61.2 | Low | 35.5 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | cis | -108.9 | -96.3 | -19 | 28.6 | -7.6 | 0 | 0 | 0 | 110.9 | ||||
| 183 | P | 48.4 | Very low | 34.9 | Very low | 112 Ų | 112 | 126 Ų | 126 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -124.5 | 146.3 | -16 | 37.8 | -19.6 | 0 | 0 | 0 | 117.4 | ||||
| 184 | S | 30.6 | Very low | 34.8 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 38.2 | 105.7 | 149.8 | -138.3 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 185 | T | 32 | Very low | 34.7 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 46.1 | 137.1 | 124.9 | 67.1 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 186 | R | 32.9 | Very low | 34.8 | Very low | 249 Ų | 249 | 126.1 Ų | 126.1 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | 120.9 | 110.4 | 127.6 | -164.9 | 175.9 | -172.6 | 156.9 | 1.9 | 117.1 | |||||
| 187 | G | 29.8 | Very low | 35 | Very low | 67 Ų | 67 | 126.9 Ų | 126.9 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | 173.2 | 91.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 188 | V | 34.2 | Very low | 34.9 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | 60.7 | 86.7 | 100.2 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 189 | S | 32.3 | Very low | 34.8 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | 88.5 | 154 | 78.4 | -66.9 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 190 | R | 38 | Very low | 34.1 | Very low | 229 Ų | 229 | 129.4 Ų | 129.4 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | 81.8 | 146 | 175.5 | -60.4 | 176.6 | 167 | -167.3 | -7.7 | 115.5 | ||||
| 191 | A | 29.6 | Very low | 34.1 | Very low | 90 Ų | 90 | 129.5 Ų | 129.5 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | cis | -160.5 | 172.3 | -15.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 192 | S | 32.1 | Very low | 34.2 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -52.3 | 166.6 | 158.1 | 21.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 193 | S | 33.7 | Very low | 32.9 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | cis | -159.4 | 142.7 | -2.9 | -102.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 194 | M | 33.7 | Very low | 32.1 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | 51.5 | 129.6 | 93.9 | -79.4 | -67.5 | -71.3 | 0 | 0 | 118.3 | |||||
| 195 | S | 29.3 | Very low | 32 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | 81.6 | 106.9 | 154 | -60.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 196 | S | 28.7 | Very low | 31.9 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | -150 | 139.9 | 115.4 | -78.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 197 | L | 33.5 | Very low | 31.7 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -146.1 | 160.3 | -179 | -80 | 176.4 | 0 | 0 | 0 | 109.9 | ||||
| 198 | S | 29.9 | Very low | 31.8 | Very low | 122 Ų | 122 | 137 Ų | 137 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | 77.3 | 149.3 | 171.3 | -45.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 199 | A | 30.3 | Very low | 31.7 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 60% | 0.595 | 78% | 0.78 | S | S | * | * | cis | -168.6 | 172.5 | -21.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 200 | H | 29.1 | Very low | 32 | Very low | 179 Ų | 179 | 135 Ų | 135 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | 71.5 | 129.9 | 176.6 | -48 | -73.5 | 0 | 0 | 0 | 115.2 | ||||
| 201 | S | 31.6 | Very low | 32 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | cis | 77.6 | 92.7 | 11.9 | -159 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 202 | I | 37.8 | Very low | 31.9 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | trans | -140.6 | 162.7 | 149.5 | -50.7 | -178.9 | 0 | 0 | 0 | 107.5 | ||||
| 203 | K | 33.5 | Very low | 32.3 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | -139.6 | 131.8 | -162 | 163.5 | -163.2 | 168.1 | -172.4 | 0 | 113.2 | ||||
| 204 | T | 30.6 | Very low | 32.3 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -158.6 | 123.3 | 161.8 | 39.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 205 | S | 29.7 | Very low | 32.4 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | 61.1 | 134.1 | 74.4 | 71.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 206 | E | 30 | Very low | 32.8 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | cis | -164.8 | 177.4 | 0.9 | -125.6 | 162.8 | 155.8 | 0 | 0 | 111.6 | ||||
| 207 | E | 28.6 | Very low | 33.1 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 79.8 | 118.1 | 145.8 | -167.9 | 149.2 | -158.3 | 0 | 0 | 125 | ||||
| 208 | N | 30.9 | Very low | 34.1 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | 46.7 | 125.3 | 138.4 | -64.4 | -27.2 | 0 | 0 | 0 | 127.6 | ||||
| 209 | S | 33.1 | Very low | 34.2 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | 79.1 | 102.7 | 115 | -170.7 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 210 | A | 39 | Very low | 34.2 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | 66.9 | 147.1 | 125 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 211 | K | 36.6 | Very low | 34.5 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 67.4 | 163.5 | 171.1 | -85.7 | 179.5 | 150.8 | -148.9 | 0 | 115.7 | ||||
| 212 | E | 28.9 | Very low | 34.4 | Very low | 159 Ų | 159 | 139 Ų | 139 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -140.5 | -146.8 | 9.7 | -152.2 | 143.2 | -134.3 | 0 | 0 | 114 | ||||
| 213 | Q | 39 | Very low | 34.5 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | -147.2 | 153.2 | -162.3 | -167.8 | -171.2 | -23.9 | 0 | 0 | 113.9 | ||||
| 214 | S | 35.3 | Very low | 34.4 | Very low | 87 Ų | 87 | 128.9 Ų | 128.9 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | trans | 90 | 136.4 | 152.5 | -0.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 215 | Q | 35.8 | Very low | 34.6 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | 89.9 | 112.9 | 137.7 | -74.8 | -175.8 | -94.7 | 0 | 0 | 125.6 | ||||
| 216 | D | 36.4 | Very low | 34.5 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | 97.3 | 128.6 | 114.1 | -70.1 | 0.9 | 0 | 0 | 0 | 127.6 | |||||
| 217 | T | 35.7 | Very low | 35.7 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | 73.2 | 169.4 | 145.8 | 60.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 218 | P | 54.8 | Low | 36.6 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | cis | -137.6 | -177.2 | 3.9 | 43.6 | -25.5 | 0 | 0 | 0 | 118.7 | ||||
| 219 | E | 31.8 | Very low | 36.5 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | trans | 68.7 | 154.5 | 149.7 | -87 | 178.4 | -160.6 | 0 | 0 | 122.2 | ||||
| 220 | S | 29.8 | Very low | 36.2 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | cis | -162.8 | 150 | -4.6 | 177.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 221 | S | 36.4 | Very low | 35.7 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | 55.3 | 149 | 157.1 | -70.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 222 | D | 29.7 | Very low | 35.3 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | cis | -176.6 | 163.5 | -11.9 | -173.8 | 38 | 0 | 0 | 0 | 106.3 | ||||
| 223 | S | 38.6 | Very low | 35.4 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | cis | -154.1 | -168 | 3.5 | -136.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 224 | G | 31.1 | Very low | 35.9 | Very low | 59 Ų | 59 | 126.8 Ų | 126.8 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | cis | 156.8 | 150 | -3.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 225 | L | 35.4 | Very low | 35.8 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 93% | 0.932 | 75% | 0.75 | S | S | * | * | trans | 67 | 145 | 166.5 | -66.5 | 165.6 | 0 | 0 | 0 | 119.1 | ||||
| 226 | A | 28.4 | Very low | 36.4 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -151.8 | 165 | 3.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 227 | P | 53.5 | Low | 36 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -105.3 | -155.4 | 177.1 | 44.4 | -36.9 | 0 | 0 | 0 | 112.6 | ||||
| 228 | P | 48.5 | Very low | 36 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | cis | -146.6 | -164.7 | 2.5 | 43.3 | -20.3 | 0 | 0 | 0 | 119.3 | ||||
| 229 | Q | 29.4 | Very low | 35.5 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | 98.9 | 108.2 | 149.1 | -82.6 | -166.8 | -68.8 | 0 | 0 | 126.2 | ||||
| 230 | E | 26.5 | Very low | 35.4 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 77% | 0.771 | 75% | 0.747 | S | S | * | * | 44.6 | 128.7 | 121 | -60.3 | -178.6 | 117.2 | 0 | 0 | 127.1 | |||||
| 231 | S | 28.1 | Very low | 35.4 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | 132.1 | 126.2 | 113.2 | -154.1 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 232 | S | 27.8 | Very low | 35.2 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 57.9 | 106.8 | 136.6 | 64.8 | 0 | 0 | 0 | 0 | 128.4 | ||||
| 233 | R | 31.8 | Very low | 36.2 | Very low | 243 Ų | 243 | 130 Ų | 130 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | 73.2 | -173.4 | 116 | -123.6 | -161.8 | 160.8 | 173.3 | -5.4 | 122.4 | |||||
| 234 | P | 49.7 | Very low | 36.1 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 61% | 0.61 | 75% | 0.754 | S | S | * | * | -134.5 | 178.2 | -125 | 47.6 | -28.5 | 0 | 0 | 0 | 120.1 | |||||
| 235 | E | 31.9 | Very low | 36.8 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | 40.4 | 172.8 | 147.5 | -91.4 | -168.5 | 146.7 | 0 | 0 | 123.5 | ||||
| 236 | P | 49.5 | Very low | 37.6 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | cis | -137.8 | -152.9 | -26.1 | 32.9 | -7.5 | 0 | 0 | 0 | 114.8 | ||||
| 237 | T | 28.6 | Very low | 38.8 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 88.9 | 172.9 | 156.2 | 57.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 238 | V | 34.8 | Very low | 38.6 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -159 | 172.3 | -155.9 | -85.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 239 | P | 44.2 | Very low | 38.9 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | cis | -134.8 | -140.5 | 33.9 | 29.6 | -0.2 | 0 | 0 | 0 | 114.6 | ||||
| 240 | T | 30 | Very low | 40.1 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 64% | 0.638 | 75% | 0.749 | S | S | * | * | cis | -164.7 | 172.8 | 12.8 | -16.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 241 | E | 29.4 | Very low | 41.7 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | 37.1 | 153.5 | 148 | -77.4 | 164.3 | -138.2 | 0 | 0 | 124.1 | ||||
| 242 | E | 32.3 | Very low | 43.4 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | cis | -152.9 | -141.6 | -23.9 | -154.2 | -163.1 | -138.6 | 0 | 0 | 111.3 | ||||
| 243 | P | 51.6 | Low | 45.2 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 59% | 0.591 | 74% | 0.737 | S | S | * | * | trans | -122.4 | 167 | -131.8 | 42.3 | -25.1 | 0 | 0 | 0 | 118.3 | ||||
| 244 | Q | 36 | Very low | 47 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | -160.5 | 136.8 | 132.7 | -111.6 | 170.1 | 41.5 | 0 | 0 | 111.3 | ||||
| 245 | S | 46.4 | Very low | 47.9 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | -126.7 | 114.3 | -162 | 46 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 246 | Q | 51 | Low | 49.9 | Very low | 193 Ų | 193 | 130.4 Ų | 130.4 | 90% | 0.902 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -174.5 | -8.5 | 144.6 | -104.4 | 155.9 | 19.5 | 0 | 0 | 115.8 | ||
| 247 | I | 54.5 | Low | 51.1 | Low | 149 Ų | 149 | 130.8 Ų | 130.8 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -100.8 | -16 | -177.6 | -60.5 | 174.1 | 0 | 0 | 0 | 113.5 | S249 | I247-S249 VanDerWaalsContact C-N 3.3Å; I247-S249 PolarHBondContact O-N 3.25Å; I247-S249 VanDerWaalsContact O-N 3.09Å |
| 248 | L | 47.9 | Very low | 53.3 | Low | 131 Ų | 131 | 128.8 Ų | 128.8 | 69% | 0.686 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -0.2 | -165.4 | -69.3 | 171.7 | 0 | 0 | 0 | 117.3 | ||
| 249 | S | 55.1 | Low | 55.2 | Low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -30 | -178.1 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | I247 | I247-S249 VanDerWaalsContact C-N 3.3Å; I247-S249 PolarHBondContact O-N 3.25Å; I247-S249 VanDerWaalsContact O-N 3.09Å |
| 250 | S | 55 | Low | 56.9 | Low | 83 Ų | 83 | 130.2 Ų | 130.2 | 58% | 0.58 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -55.8 | -176.6 | 171.5 | 0 | 0 | 0 | 0 | 112.9 | R252 L253 | S250-R252 PolarHBondContact O-N 2.87Å; S250-R252 VanDerWaalsContact O-N 3.14Å; S250-L253 PolarHBondContact O-N 3.46Å |
| 251 | L | 60.5 | Low | 59.4 | Low | 117 Ų | 117 | 131.6 Ų | 131.6 | 61% | 0.613 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63.6 | -22.4 | -173.8 | -93 | 65.5 | 0 | 0 | 0 | 114.3 | L253 N255 | L251-L253 PolarHBondContact O-N 2.81Å; L251-N255 PolarHBondContact O-N 3.39Å |
| 252 | R | 63 | Low | 61.8 | Low | 202 Ų | 202 | 127.8 Ų | 127.8 | 76% | 0.762 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.2 | -31.8 | -175 | -165.2 | 177.2 | -176.8 | 102.1 | -1.6 | 112.9 | S250 | S250-R252 PolarHBondContact O-N 2.87Å; S250-R252 VanDerWaalsContact O-N 3.14Å |
| 253 | L | 66.8 | Low | 64 | Low | 116 Ų | 116 | 122.2 Ų | 122.2 | 61% | 0.607 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.9 | -44.2 | -178.2 | -170.8 | 69.7 | 0 | 0 | 0 | 111.7 | S250 L251 N255 Q256 L257 | S250-L253 PolarHBondContact O-N 3.46Å; L251-L253 PolarHBondContact O-N 2.81Å; L253-N255 PolarHBondContact O-N 3.48Å; L253-Q256 PolarHBondContact O-N 2.83Å; L253-L257 PolarHBondContact O-N 3.02Å; L253-L257 VanDerWaalsContact O-N 3.12Å |
| 254 | E | 68.7 | Low | 65.3 | Low | 119 Ų | 119 | 121 Ų | 121 | 56% | 0.556 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -59.7 | -46.8 | 178.6 | -175.8 | -179.6 | -177.5 | 0 | 0 | 111.9 | Q256 L257 L258 | E254-Q256 PolarHBondContact O-N 2.68Å; E254-L257 PolarHBondContact O-N 3.47Å; E254-L258 HydrophobicContact CG-CD1 4.41Å; E254-L258 PolarHBondContact O-N 2.86Å; E254-L258 VanDerWaalsContact O-N 3.1Å |
| 255 | N | 69.6 | Low | 67.6 | Low | 91 Ų | 91 | 117.9 Ų | 117.9 | 49% | 0.487 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.5 | -24.5 | 179.4 | -148.1 | -95.1 | 0 | 0 | 0 | 113.1 | L251 L253 R259 | L251-N255 PolarHBondContact O-N 3.39Å; L253-N255 PolarHBondContact O-N 3.48Å; N255-R259 WeakPolarHBondContact O-CG 3.33Å; N255-R259 PolarHBondContact OD1-NE 2.83Å |
| 256 | Q | 74.1 | Confident | 69.2 | Low | 117 Ų | 117 | 117.6 Ų | 117.6 | 55% | 0.547 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -79 | -36.8 | 175.5 | -170.7 | 170.7 | -1.7 | 0 | 0 | 112 | L253 E254 N260 | L253-Q256 PolarHBondContact O-N 2.83Å; E254-Q256 PolarHBondContact O-N 2.68Å; Q256-N260 PolarHBondContact O-N 3.1Å |
| 257 | L | 74.4 | Confident | 70.8 | Confident | 108 Ų | 108 | 115.4 Ų | 115.4 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.5 | -48.2 | 175.3 | -73.2 | 166 | 0 | 0 | 0 | 111.7 | L253 E254 R259 N260 E261 | L253-L257 PolarHBondContact O-N 3.02Å; L253-L257 VanDerWaalsContact O-N 3.12Å; E254-L257 PolarHBondContact O-N 3.47Å; L257-R259 VanDerWaalsContact C-N 3.26Å; L257-R259 PolarHBondContact O-N 2.81Å; L257-N260 WeakPolarHBondContact O-CB 3.31Å; L257-N260 PolarHBondContact O-N 3.21Å; L257-E261 PolarHBondContact O-N 2.93Å |
| 258 | L | 73.9 | Confident | 72.3 | Confident | 89 Ų | 89 | 114 Ų | 114 | 47% | 0.466 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.8 | -35.5 | 178.3 | -70 | 170 | 0 | 0 | 0 | 112.8 | E254 E261 V262 | E254-L258 HydrophobicContact CG-CD1 4.41Å; E254-L258 PolarHBondContact O-N 2.86Å; E254-L258 VanDerWaalsContact O-N 3.1Å; L258-E261 PolarHBondContact O-N 2.91Å; L258-V262 WeakPolarHBondContact O-CB 3.29Å; L258-V262 WeakPolarHBondContact O-CG2 3.12Å; L258-V262 PolarHBondContact O-N 3.22Å |
| 259 | R | 76.1 | Confident | 74.1 | Confident | 179 Ų | 179 | 112.7 Ų | 112.7 | 68% | 0.675 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.9 | -38.5 | 174.8 | -74.4 | 175.5 | -177.9 | -132.9 | -2.2 | 112.6 | N255 L257 A263 | N255-R259 WeakPolarHBondContact O-CG 3.33Å; N255-R259 PolarHBondContact OD1-NE 2.83Å; L257-R259 VanDerWaalsContact C-N 3.26Å; L257-R259 PolarHBondContact O-N 2.81Å; R259-A263 VanDerWaalsContact O-CB 3.27Å; R259-A263 WeakPolarHBondContact O-CB 3.38Å; R259-A263 PolarHBondContact O-N 3.13Å |
| 260 | N | 79.4 | Confident | 75.5 | Confident | 102 Ų | 102 | 110.4 Ų | 110.4 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.4 | -39.4 | 175.1 | -73 | -9.7 | 0 | 0 | 0 | 111.5 | Q256 L257 A263 S264 | Q256-N260 PolarHBondContact O-N 3.1Å; L257-N260 WeakPolarHBondContact O-CB 3.31Å; L257-N260 PolarHBondContact O-N 3.21Å; N260-A263 PolarHBondContact O-N 2.98Å; N260-S264 WeakPolarHBondContact O-CB 3.39Å; N260-S264 PolarHBondContact O-N 2.98Å |
| 261 | E | 82.3 | Confident | 77 | Confident | 132 Ų | 132 | 108.5 Ų | 108.5 | 62% | 0.617 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.8 | -46.1 | 177.2 | -171.5 | 168.9 | -155.3 | 0 | 0 | 111.6 | L257 L258 A263 S264 L265 | L257-E261 PolarHBondContact O-N 2.93Å; L258-E261 PolarHBondContact O-N 2.91Å; E261-A263 VanDerWaalsContact C-N 3.35Å; E261-A263 PolarHBondContact O-N 2.84Å; E261-S264 PolarHBondContact O-N 2.86Å; E261-L265 WeakPolarHBondContact O-CB 3.21Å; E261-L265 PolarHBondContact O-N 3.14Å |
| 262 | V | 79 | Confident | 78.4 | Confident | 97 Ų | 97 | 106.6 Ų | 106.6 | 59% | 0.588 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.6 | -39.3 | 173.4 | 170.7 | 0 | 0 | 0 | 0 | 111.9 | L258 N266 | L258-V262 WeakPolarHBondContact O-CB 3.29Å; L258-V262 WeakPolarHBondContact O-CG2 3.12Å; L258-V262 PolarHBondContact O-N 3.22Å; V262-N266 VanDerWaalsContact O-CB 3.25Å; V262-N266 WeakPolarHBondContact O-CB 3.43Å; V262-N266 PolarHBondContact O-N 2.93Å |
| 263 | A | 78.8 | Confident | 79.6 | Confident | 56 Ų | 56 | 101 Ų | 101 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R259 N260 E261 N266 Q267 | R259-A263 VanDerWaalsContact O-CB 3.27Å; R259-A263 WeakPolarHBondContact O-CB 3.38Å; R259-A263 PolarHBondContact O-N 3.13Å; N260-A263 PolarHBondContact O-N 2.98Å; E261-A263 VanDerWaalsContact C-N 3.35Å; E261-A263 PolarHBondContact O-N 2.84Å; A263-N266 PolarHBondContact O-N 2.86Å; A263-Q267 WeakPolarHBondContact O-CB 3.39Å; A263-Q267 PolarHBondContact O-N 3.41Å |
| 264 | S | 79.8 | Confident | 80.6 | Confident | 66 Ų | 66 | 100.1 Ų | 100.1 | 46% | 0.462 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.9 | -168.1 | 0 | 0 | 0 | 0 | 111.5 | N260 E261 N266 Q267 E268 | N260-S264 WeakPolarHBondContact O-CB 3.39Å; N260-S264 PolarHBondContact O-N 2.98Å; E261-S264 PolarHBondContact O-N 2.86Å; S264-N266 VanDerWaalsContact C-N 3.31Å; S264-N266 PolarHBondContact O-N 2.93Å; S264-Q267 PolarHBondContact O-N 3.16Å; S264-E268 WeakPolarHBondContact O-CG 3.35Å; S264-E268 PolarHBondContact O-N 2.85Å |
| 265 | L | 83.4 | Confident | 81.5 | Confident | 121 Ų | 121 | 101 Ų | 101 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -38 | 178.4 | -163.5 | 84.1 | 0 | 0 | 0 | 111.7 | E261 E268 M269 | E261-L265 WeakPolarHBondContact O-CB 3.21Å; E261-L265 PolarHBondContact O-N 3.14Å; L265-E268 PolarHBondContact O-N 3.36Å; L265-M269 VanDerWaalsContact O-CB 3.26Å; L265-M269 WeakPolarHBondContact O-CB 3.47Å; L265-M269 PolarHBondContact O-N 2.68Å |
| 266 | N | 81.1 | Confident | 82.4 | Confident | 95 Ų | 95 | 99.2 Ų | 99.2 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.8 | -35.2 | 176.8 | -161.2 | 14.2 | 0 | 0 | 0 | 111.8 | V262 A263 S264 M269 A270 | V262-N266 VanDerWaalsContact O-CB 3.25Å; V262-N266 WeakPolarHBondContact O-CB 3.43Å; V262-N266 PolarHBondContact O-N 2.93Å; A263-N266 PolarHBondContact O-N 2.86Å; S264-N266 VanDerWaalsContact C-N 3.31Å; S264-N266 PolarHBondContact O-N 2.93Å; N266-M269 WeakPolarHBondContact OD1-CE 3.35Å; N266-A270 VanDerWaalsContact O-CB 3.31Å; N266-A270 WeakPolarHBondContact O-CB 3.26Å; N266-A270 PolarHBondContact O-N 3.43Å |
| 267 | Q | 83.6 | Confident | 83.3 | Confident | 148 Ų | 148 | 99.2 Ų | 99.2 | 69% | 0.692 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 171.3 | -175.6 | 174.1 | -1.5 | 0 | 0 | 111.9 | A263 S264 A270 S271 | A263-Q267 WeakPolarHBondContact O-CB 3.39Å; A263-Q267 PolarHBondContact O-N 3.41Å; S264-Q267 PolarHBondContact O-N 3.16Å; Q267-A270 PolarHBondContact O-N 2.94Å; Q267-S271 WeakPolarHBondContact O-CB 3.45Å; Q267-S271 PolarHBondContact O-N 2.7Å |
| 268 | E | 86.6 | Confident | 84 | Confident | 120 Ų | 120 | 97.9 Ų | 97.9 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -48.4 | 172.5 | -72.8 | -140.7 | 136.1 | 0 | 0 | 111 | S264 L265 A270 S271 V272 | S264-E268 WeakPolarHBondContact O-CG 3.35Å; S264-E268 PolarHBondContact O-N 2.85Å; L265-E268 PolarHBondContact O-N 3.36Å; E268-A270 VanDerWaalsContact C-N 3.33Å; E268-A270 PolarHBondContact O-N 2.85Å; E268-S271 CarbonylContact O-C 3.5Å; E268-S271 WeakPolarHBondContact O-CA 3.44Å; E268-S271 WeakPolarHBondContact O-CB 3.37Å; E268-S271 PolarHBondContact O-N 2.83Å; E268-S271 PolarHBondContact O-OG 2.82Å; E268-V272 WeakPolarHBondContact O-CG2 3.31Å; E268-V272 PolarHBondContact O-N 2.9Å |
| 269 | M | 85.6 | Confident | 84.8 | Confident | 103 Ų | 103 | 98.9 Ų | 98.9 | 51% | 0.507 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 177.1 | -175.5 | 173.2 | 65 | 0 | 0 | 111.7 | L265 N266 S271 V272 I273 | L265-M269 VanDerWaalsContact O-CB 3.26Å; L265-M269 WeakPolarHBondContact O-CB 3.47Å; L265-M269 PolarHBondContact O-N 2.68Å; N266-M269 WeakPolarHBondContact OD1-CE 3.35Å; M269-S271 PolarHBondContact O-N 3.22Å; M269-V272 PolarHBondContact O-N 2.89Å; M269-I273 HydrophobicContact CG-CD1 3.87Å; M269-I273 HydrophobicContact CG-CG1 4.46Å; M269-I273 WeakPolarHBondContact O-CB 3.44Å; M269-I273 VanDerWaalsContact O-CG1 3.28Å; M269-I273 WeakPolarHBondContact O-CG1 3.34Å; M269-I273 PolarHBondContact O-N 2.98Å |
| 270 | A | 83.7 | Confident | 85.5 | Confident | 57 Ų | 57 | 95.4 Ų | 95.4 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | N266 Q267 E268 V272 I273 Q274 | N266-A270 VanDerWaalsContact O-CB 3.31Å; N266-A270 WeakPolarHBondContact O-CB 3.26Å; N266-A270 PolarHBondContact O-N 3.43Å; Q267-A270 PolarHBondContact O-N 2.94Å; E268-A270 VanDerWaalsContact C-N 3.33Å; E268-A270 PolarHBondContact O-N 2.85Å; A270-V272 VanDerWaalsContact C-N 3.32Å; A270-V272 PolarHBondContact O-N 3.36Å; A270-I273 PolarHBondContact O-N 2.78Å; A270-Q274 WeakPolarHBondContact O-CB 3.22Å; A270-Q274 PolarHBondContact O-N 3.04Å |
| 271 | S | 87.6 | Confident | 86.1 | Confident | 44 Ų | 44 | 94.7 Ų | 94.7 | 31% | 0.308 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -28.4 | 176.3 | 84.2 | 0 | 0 | 0 | 0 | 113.6 | Q267 E268 M269 R275 | Q267-S271 WeakPolarHBondContact O-CB 3.45Å; Q267-S271 PolarHBondContact O-N 2.7Å; E268-S271 CarbonylContact O-C 3.5Å; E268-S271 WeakPolarHBondContact O-CA 3.44Å; E268-S271 WeakPolarHBondContact O-CB 3.37Å; E268-S271 PolarHBondContact O-N 2.83Å; E268-S271 PolarHBondContact O-OG 2.82Å; M269-S271 PolarHBondContact O-N 3.22Å; S271-R275 WeakPolarHBondContact O-CB 3.21Å; S271-R275 VanDerWaalsContact O-CG 3.32Å; S271-R275 WeakPolarHBondContact O-CG 3.26Å; S271-R275 PolarHBondContact O-N 3.33Å; S271-R275 PolarHBondContact O-NE 3.33Å; S271-R275 PolarHBondContact OG-NH2 2.89Å |
| 272 | V | 89.2 | Confident | 86.6 | Confident | 77 Ų | 77 | 94 Ų | 94 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -78.6 | -41.8 | 176 | 169.5 | 0 | 0 | 0 | 0 | 110.1 | E268 M269 A270 Q274 R275 A276 | E268-V272 WeakPolarHBondContact O-CG2 3.31Å; E268-V272 PolarHBondContact O-N 2.9Å; M269-V272 PolarHBondContact O-N 2.89Å; A270-V272 VanDerWaalsContact C-N 3.32Å; A270-V272 PolarHBondContact O-N 3.36Å; V272-Q274 VanDerWaalsContact C-N 3.33Å; V272-R275 PolarHBondContact O-N 3.45Å; V272-A276 WeakPolarHBondContact O-CB 3.08Å; V272-A276 PolarHBondContact O-N 3.39Å |
| 273 | I | 87.4 | Confident | 87.2 | Confident | 85 Ų | 85 | 93 Ų | 93 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 172.6 | -70 | 166.6 | 0 | 0 | 0 | 110.6 | M269 A270 A276 K277 | M269-I273 HydrophobicContact CG-CD1 3.87Å; M269-I273 HydrophobicContact CG-CG1 4.46Å; M269-I273 WeakPolarHBondContact O-CB 3.44Å; M269-I273 VanDerWaalsContact O-CG1 3.28Å; M269-I273 WeakPolarHBondContact O-CG1 3.34Å; M269-I273 PolarHBondContact O-N 2.98Å; A270-I273 PolarHBondContact O-N 2.78Å; I273-A276 PolarHBondContact O-N 3.26Å; I273-K277 WeakPolarHBondContact O-CG 3.21Å; I273-K277 PolarHBondContact O-N 2.87Å |
| 274 | Q | 88 | Confident | 87.8 | Confident | 97 Ų | 97 | 93.4 Ų | 93.4 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -51.4 | 176 | -169.5 | 57.6 | 42.2 | 0 | 0 | 110.9 | A270 V272 A276 K277 D278 | A270-Q274 WeakPolarHBondContact O-CB 3.22Å; A270-Q274 PolarHBondContact O-N 3.04Å; V272-Q274 VanDerWaalsContact C-N 3.33Å; Q274-A276 PolarHBondContact O-N 2.78Å; Q274-K277 CarbonylContact O-C 3.55Å; Q274-K277 WeakPolarHBondContact O-CA 3.37Å; Q274-K277 WeakPolarHBondContact O-CB 3.41Å; Q274-K277 PolarHBondContact O-N 3.33Å; Q274-D278 PolarHBondContact NE2-OD1 2.85Å; Q274-D278 PolarHBondContact O-N 3.44Å |
| 275 | R | 89.1 | Confident | 88.4 | Confident | 136 Ų | 136 | 95 Ų | 95 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.4 | -36.9 | 174.1 | -79.5 | 176.3 | -76.4 | 164.4 | -10.5 | 113 | S271 V272 D278 L279 | S271-R275 WeakPolarHBondContact O-CB 3.21Å; S271-R275 VanDerWaalsContact O-CG 3.32Å; S271-R275 WeakPolarHBondContact O-CG 3.26Å; S271-R275 PolarHBondContact O-N 3.33Å; S271-R275 PolarHBondContact O-NE 3.33Å; S271-R275 PolarHBondContact OG-NH2 2.89Å; V272-R275 PolarHBondContact O-N 3.45Å; R275-D278 PolarHBondContact O-N 2.87Å; R275-L279 VanDerWaalsContact O-CB 3.3Å; R275-L279 WeakPolarHBondContact O-CB 3.41Å; R275-L279 WeakPolarHBondContact O-CD1 3.37Å; R275-L279 WeakPolarHBondContact O-CG 3.46Å; R275-L279 PolarHBondContact O-N 3.47Å |
| 276 | A | 88.3 | Confident | 88.8 | Confident | 54 Ų | 54 | 91.5 Ų | 91.5 | 45% | 0.446 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V272 I273 Q274 Q280 | V272-A276 WeakPolarHBondContact O-CB 3.08Å; V272-A276 PolarHBondContact O-N 3.39Å; I273-A276 PolarHBondContact O-N 3.26Å; Q274-A276 PolarHBondContact O-N 2.78Å; A276-Q280 WeakPolarHBondContact O-CB 3.46Å; A276-Q280 PolarHBondContact O-N 3.38Å |
| 277 | K | 91.2 | Very high | 89.3 | Confident | 117 Ų | 117 | 93.6 Ų | 93.6 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 170.9 | -73.1 | 176 | 178.7 | -178.8 | 0 | 111.9 | I273 Q274 L279 Q280 D281 | I273-K277 WeakPolarHBondContact O-CG 3.21Å; I273-K277 PolarHBondContact O-N 2.87Å; Q274-K277 CarbonylContact O-C 3.55Å; Q274-K277 WeakPolarHBondContact O-CA 3.37Å; Q274-K277 WeakPolarHBondContact O-CB 3.41Å; Q274-K277 PolarHBondContact O-N 3.33Å; K277-L279 VanDerWaalsContact C-N 3.29Å; K277-L279 PolarHBondContact O-N 2.88Å; K277-Q280 CarbonylContact O-C 3.55Å; K277-Q280 WeakPolarHBondContact O-CB 3.49Å; K277-Q280 PolarHBondContact O-N 2.82Å; K277-Q280 VanDerWaalsContact O-N 3.07Å; K277-D281 PolarHBondContact O-N 3.07Å |
| 278 | D | 91.2 | Very high | 89.8 | Confident | 80 Ų | 80 | 92.4 Ų | 92.4 | 43% | 0.428 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 179.5 | -56 | -30.3 | 0 | 0 | 0 | 110.6 | Q274 R275 D281 E282 | Q274-D278 PolarHBondContact NE2-OD1 2.85Å; Q274-D278 PolarHBondContact O-N 3.44Å; R275-D278 PolarHBondContact O-N 2.87Å; D278-D281 PolarHBondContact O-N 3.35Å; D278-E282 WeakPolarHBondContact O-CB 3.41Å; D278-E282 PolarHBondContact O-N 2.92Å |
| 279 | L | 90.4 | Very high | 90.1 | Very high | 110 Ų | 110 | 93 Ų | 93 | 58% | 0.576 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.4 | -35.9 | 173.7 | -71.9 | 169 | 0 | 0 | 0 | 113.3 | R275 K277 L283 | R275-L279 VanDerWaalsContact O-CB 3.3Å; R275-L279 WeakPolarHBondContact O-CB 3.41Å; R275-L279 WeakPolarHBondContact O-CD1 3.37Å; R275-L279 WeakPolarHBondContact O-CG 3.46Å; R275-L279 PolarHBondContact O-N 3.47Å; K277-L279 VanDerWaalsContact C-N 3.29Å; K277-L279 PolarHBondContact O-N 2.88Å; L279-L283 VanDerWaalsContact O-CB 3.23Å; L279-L283 WeakPolarHBondContact O-CB 3.38Å; L279-L283 PolarHBondContact O-N 2.81Å |
| 280 | Q | 90 | Very high | 90.3 | Very high | 107 Ų | 107 | 90 Ų | 90 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 174.3 | -175.3 | 83 | -8.8 | 0 | 0 | 110.7 | A276 K277 L283 N284 | A276-Q280 WeakPolarHBondContact O-CB 3.46Å; A276-Q280 PolarHBondContact O-N 3.38Å; K277-Q280 CarbonylContact O-C 3.55Å; K277-Q280 WeakPolarHBondContact O-CB 3.49Å; K277-Q280 PolarHBondContact O-N 2.82Å; K277-Q280 VanDerWaalsContact O-N 3.07Å; Q280-L283 PolarHBondContact O-N 3.03Å; Q280-N284 WeakPolarHBondContact O-CB 3.3Å; Q280-N284 PolarHBondContact O-N 2.83Å; Q280-N284 PolarHBondContact O-ND2 2.77Å; Q280-N284 VanDerWaalsContact O-ND2 3.13Å |
| 281 | D | 91.6 | Very high | 90.7 | Very high | 86 Ų | 86 | 92.2 Ų | 92.2 | 46% | 0.46 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75.2 | -35 | 178 | -74 | -24.1 | 0 | 0 | 0 | 112 | K277 D278 N284 Q285 | K277-D281 PolarHBondContact O-N 3.07Å; D278-D281 PolarHBondContact O-N 3.35Å; D281-N284 PolarHBondContact O-N 2.8Å; D281-Q285 WeakPolarHBondContact O-CB 3.29Å; D281-Q285 VanDerWaalsContact O-CG 3.23Å; D281-Q285 WeakPolarHBondContact O-CG 3.48Å; D281-Q285 PolarHBondContact O-N 2.92Å |
| 282 | E | 93.2 | Very high | 90.9 | Very high | 117 Ų | 117 | 95.9 Ų | 95.9 | 55% | 0.547 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 168.3 | -174.9 | 172.5 | -156.8 | 0 | 0 | 111.2 | D278 Q285 A286 | D278-E282 WeakPolarHBondContact O-CB 3.41Å; D278-E282 PolarHBondContact O-N 2.92Å; E282-Q285 PolarHBondContact O-N 3.46Å; E282-A286 VanDerWaalsContact O-CB 3.26Å; E282-A286 WeakPolarHBondContact O-CB 3.2Å; E282-A286 PolarHBondContact O-N 3.46Å |
| 283 | L | 91.6 | Very high | 91.1 | Very high | 77 Ų | 77 | 100.6 Ų | 100.6 | 40% | 0.403 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 174.4 | -178.4 | 72.4 | 0 | 0 | 0 | 111.7 | L279 Q280 A286 R287 | L279-L283 VanDerWaalsContact O-CB 3.23Å; L279-L283 WeakPolarHBondContact O-CB 3.38Å; L279-L283 PolarHBondContact O-N 2.81Å; Q280-L283 PolarHBondContact O-N 3.03Å; L283-A286 PolarHBondContact O-N 2.78Å; L283-R287 WeakPolarHBondContact O-CB 3.36Å; L283-R287 WeakPolarHBondContact O-CG 3.35Å; L283-R287 PolarHBondContact O-N 3.26Å |
| 284 | N | 91.4 | Very high | 91.4 | Very high | 65 Ų | 65 | 101.1 Ų | 101.1 | 35% | 0.348 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.8 | -72.8 | -29.1 | 0 | 0 | 0 | 111.5 | Q280 D281 R287 L288 | Q280-N284 WeakPolarHBondContact O-CB 3.3Å; Q280-N284 PolarHBondContact O-N 2.83Å; Q280-N284 PolarHBondContact O-ND2 2.77Å; Q280-N284 VanDerWaalsContact O-ND2 3.13Å; D281-N284 PolarHBondContact O-N 2.8Å; N284-R287 PolarHBondContact O-N 2.76Å; N284-L288 WeakPolarHBondContact O-CB 3.34Å; N284-L288 PolarHBondContact O-N 3.5Å |
| 285 | Q | 92.9 | Very high | 91.6 | Very high | 98 Ų | 98 | 99 Ų | 99 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 173.7 | -69.3 | 174.6 | 40.2 | 0 | 0 | 112.2 | D281 E282 L288 R289 | D281-Q285 WeakPolarHBondContact O-CB 3.29Å; D281-Q285 VanDerWaalsContact O-CG 3.23Å; D281-Q285 WeakPolarHBondContact O-CG 3.48Å; D281-Q285 PolarHBondContact O-N 2.92Å; E282-Q285 PolarHBondContact O-N 3.46Å; Q285-L288 PolarHBondContact O-N 2.85Å; Q285-R289 WeakPolarHBondContact O-CB 3.31Å; Q285-R289 WeakPolarHBondContact O-CD 3.25Å; Q285-R289 WeakPolarHBondContact O-CG 3.29Å; Q285-R289 PolarHBondContact O-N 3.46Å |
| 286 | A | 90.9 | Very high | 91.8 | Very high | 48 Ų | 48 | 96.5 Ų | 96.5 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | E282 L283 R289 A290 | E282-A286 VanDerWaalsContact O-CB 3.26Å; E282-A286 WeakPolarHBondContact O-CB 3.2Å; E282-A286 PolarHBondContact O-N 3.46Å; L283-A286 PolarHBondContact O-N 2.78Å; A286-R289 PolarHBondContact O-N 2.86Å; A286-A290 WeakPolarHBondContact O-CB 3.36Å; A286-A290 PolarHBondContact O-N 2.84Å |
| 287 | R | 92.2 | Very high | 92.1 | Very high | 139 Ų | 139 | 99.3 Ų | 99.3 | 53% | 0.525 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.3 | -51.9 | 170.6 | -75.7 | 171.6 | 173.1 | 169.3 | -3.2 | 111.5 | L283 N284 R289 A290 D291 | L283-R287 WeakPolarHBondContact O-CB 3.36Å; L283-R287 WeakPolarHBondContact O-CG 3.35Å; L283-R287 PolarHBondContact O-N 3.26Å; N284-R287 PolarHBondContact O-N 2.76Å; R287-R289 VanDerWaalsContact C-N 3.27Å; R287-R289 PolarHBondContact O-N 2.95Å; R287-A290 CarbonylContact O-C 3.52Å; R287-A290 WeakPolarHBondContact O-CA 3.32Å; R287-A290 WeakPolarHBondContact O-CB 3.33Å; R287-A290 PolarHBondContact O-N 3.31Å; R287-D291 PolarHBondContact O-N 2.91Å |
| 288 | L | 93.4 | Very high | 92.2 | Very high | 124 Ų | 124 | 95.8 Ų | 95.8 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63 | -33.3 | -178.6 | -156.7 | 154.2 | 0 | 0 | 0 | 112.2 | N284 Q285 K292 | N284-L288 WeakPolarHBondContact O-CB 3.34Å; N284-L288 PolarHBondContact O-N 3.5Å; Q285-L288 PolarHBondContact O-N 2.85Å; L288-K292 VanDerWaalsContact O-CB 3.29Å; L288-K292 WeakPolarHBondContact O-CB 3.36Å; L288-K292 PolarHBondContact O-N 2.89Å |
| 289 | R | 93.1 | Very high | 92.3 | Very high | 131 Ų | 131 | 97.5 Ų | 97.5 | 49% | 0.494 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 168.8 | -71.3 | 166.1 | -170.7 | 127.7 | 7.4 | 112.8 | Q285 A286 R287 R293 | Q285-R289 WeakPolarHBondContact O-CB 3.31Å; Q285-R289 WeakPolarHBondContact O-CD 3.25Å; Q285-R289 WeakPolarHBondContact O-CG 3.29Å; Q285-R289 PolarHBondContact O-N 3.46Å; A286-R289 PolarHBondContact O-N 2.86Å; R287-R289 VanDerWaalsContact C-N 3.27Å; R287-R289 PolarHBondContact O-N 2.95Å; R289-R293 WeakPolarHBondContact O-CG 3.22Å; R289-R293 PolarHBondContact O-N 3.39Å |
| 290 | A | 89.8 | Confident | 92.5 | Very high | 42 Ų | 42 | 95.6 Ų | 95.6 | 35% | 0.347 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.6 | -43.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A286 R287 R293 N294 | A286-A290 WeakPolarHBondContact O-CB 3.36Å; A286-A290 PolarHBondContact O-N 2.84Å; R287-A290 CarbonylContact O-C 3.52Å; R287-A290 WeakPolarHBondContact O-CA 3.32Å; R287-A290 WeakPolarHBondContact O-CB 3.33Å; R287-A290 PolarHBondContact O-N 3.31Å; A290-R293 CarbonylContact O-C 3.5Å; A290-R293 PolarHBondContact O-N 3.21Å; A290-N294 WeakPolarHBondContact O-CB 3.4Å; A290-N294 PolarHBondContact O-N 2.8Å; A290-N294 PolarHBondContact O-ND2 2.84Å |
| 291 | D | 91.5 | Very high | 92.7 | Very high | 102 Ų | 102 | 93.5 Ų | 93.5 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 176.4 | -65.7 | -36.9 | 0 | 0 | 0 | 111.4 | R287 N294 S295 | R287-D291 PolarHBondContact O-N 2.91Å; D291-N294 PolarHBondContact O-N 3.07Å; D291-S295 WeakPolarHBondContact O-CB 3.37Å; D291-S295 PolarHBondContact O-N 3.37Å; D291-S295 PolarHBondContact O-OG 2.78Å |
| 292 | K | 93.4 | Very high | 92.8 | Very high | 121 Ų | 121 | 97.3 Ų | 97.3 | 53% | 0.526 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.7 | -53.2 | 169.3 | 178.3 | 167.9 | 172.6 | 172.4 | 0 | 111.1 | L288 N294 S295 E296 | L288-K292 VanDerWaalsContact O-CB 3.29Å; L288-K292 WeakPolarHBondContact O-CB 3.36Å; L288-K292 PolarHBondContact O-N 2.89Å; K292-N294 VanDerWaalsContact C-N 3.32Å; K292-N294 PolarHBondContact O-N 2.8Å; K292-S295 PolarHBondContact O-N 3.32Å; K292-S295 VanDerWaalsContact O-N 3.12Å; K292-S295 PolarHBondContact O-OG 3.35Å; K292-E296 WeakPolarHBondContact CE-OE1 3.49Å; K292-E296 HydrophobicContact CG-CG 4.38Å; K292-E296 IonicContact NZ-OE1 3.58Å; K292-E296 WeakPolarHBondContact O-CG 3.37Å; K292-E296 PolarHBondContact O-N 3.21Å |
| 293 | R | 92.9 | Very high | 92.9 | Very high | 177 Ų | 177 | 95 Ų | 95 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.5 | -40 | 176.7 | -76.5 | 173.4 | 176.5 | 172.5 | -1.1 | 113 | R289 A290 E296 Q297 | R289-R293 WeakPolarHBondContact O-CG 3.22Å; R289-R293 PolarHBondContact O-N 3.39Å; A290-R293 CarbonylContact O-C 3.5Å; A290-R293 PolarHBondContact O-N 3.21Å; R293-E296 PolarHBondContact O-N 2.94Å; R293-Q297 WeakPolarHBondContact O-CB 3.23Å; R293-Q297 PolarHBondContact O-N 3.42Å |
| 294 | N | 93.1 | Very high | 93.1 | Very high | 95 Ų | 95 | 95.3 Ų | 95.3 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.7 | -72.7 | -25.1 | 0 | 0 | 0 | 111.1 | A290 D291 K292 S298 | A290-N294 WeakPolarHBondContact O-CB 3.4Å; A290-N294 PolarHBondContact O-N 2.8Å; A290-N294 PolarHBondContact O-ND2 2.84Å; D291-N294 PolarHBondContact O-N 3.07Å; K292-N294 VanDerWaalsContact C-N 3.32Å; K292-N294 PolarHBondContact O-N 2.8Å; N294-S298 VanDerWaalsContact O-CB 3.32Å; N294-S298 WeakPolarHBondContact O-CB 3.23Å; N294-S298 PolarHBondContact O-N 3.16Å |
| 295 | S | 92.5 | Very high | 93.2 | Very high | 52 Ų | 52 | 99.9 Ų | 99.9 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 176 | 72.9 | 0 | 0 | 0 | 0 | 112.2 | D291 K292 S298 Q299 | D291-S295 WeakPolarHBondContact O-CB 3.37Å; D291-S295 PolarHBondContact O-N 3.37Å; D291-S295 PolarHBondContact O-OG 2.78Å; K292-S295 PolarHBondContact O-N 3.32Å; K292-S295 VanDerWaalsContact O-N 3.12Å; K292-S295 PolarHBondContact O-OG 3.35Å; S295-S298 PolarHBondContact O-N 3.45Å; S295-S298 PolarHBondContact O-OG 2.75Å; S295-Q299 WeakPolarHBondContact O-CG 3.32Å; S295-Q299 PolarHBondContact O-N 3.01Å |
| 296 | E | 94.2 | Very high | 93.4 | Very high | 85 Ų | 85 | 100.4 Ų | 100.4 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 174.9 | -71.4 | 171.3 | 153.1 | 0 | 0 | 110.6 | K292 R293 S298 Q299 T300 | K292-E296 WeakPolarHBondContact CE-OE1 3.49Å; K292-E296 HydrophobicContact CG-CG 4.38Å; K292-E296 IonicContact NZ-OE1 3.58Å; K292-E296 WeakPolarHBondContact O-CG 3.37Å; K292-E296 PolarHBondContact O-N 3.21Å; R293-E296 PolarHBondContact O-N 2.94Å; E296-S298 VanDerWaalsContact C-N 3.35Å; E296-S298 PolarHBondContact O-N 2.79Å; E296-Q299 WeakPolarHBondContact O-CB 3.28Å; E296-Q299 PolarHBondContact O-N 3.38Å; E296-Q299 VanDerWaalsContact O-N 3.1Å; E296-T300 PolarHBondContact O-N 3.24Å; E296-T300 PolarHBondContact O-OG1 3.44Å |
| 297 | Q | 93.3 | Very high | 93.6 | Very high | 112 Ų | 112 | 102.8 Ų | 102.8 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 176.4 | -173.6 | 169.2 | -5.9 | 0 | 0 | 111.9 | R293 Q299 T300 D301 | R293-Q297 WeakPolarHBondContact O-CB 3.23Å; R293-Q297 PolarHBondContact O-N 3.42Å; Q297-Q299 VanDerWaalsContact C-N 3.26Å; Q297-Q299 PolarHBondContact O-N 3.1Å; Q297-T300 WeakPolarHBondContact CA-OG1 3.39Å; Q297-T300 PolarHBondContact O-N 3.44Å; Q297-T300 PolarHBondContact O-OG1 2.69Å; Q297-D301 WeakPolarHBondContact O-CB 3.48Å; Q297-D301 PolarHBondContact O-N 3.47Å |
| 298 | S | 93.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 104.3 Ų | 104.3 | 31% | 0.308 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -28.2 | 174.5 | 81.7 | 0 | 0 | 0 | 0 | 112.9 | N294 S295 E296 R302 | N294-S298 VanDerWaalsContact O-CB 3.32Å; N294-S298 WeakPolarHBondContact O-CB 3.23Å; N294-S298 PolarHBondContact O-N 3.16Å; S295-S298 PolarHBondContact O-N 3.45Å; S295-S298 PolarHBondContact O-OG 2.75Å; E296-S298 VanDerWaalsContact C-N 3.35Å; E296-S298 PolarHBondContact O-N 2.79Å; S298-R302 WeakPolarHBondContact O-CD 3.23Å; S298-R302 WeakPolarHBondContact O-CG 3.41Å; S298-R302 PolarHBondContact O-N 3.35Å |
| 299 | Q | 94.2 | Very high | 93.8 | Very high | 116 Ų | 116 | 100.9 Ų | 100.9 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -75.9 | -45.9 | 173.6 | -69.8 | 172.4 | 18.1 | 0 | 0 | 110.8 | S295 E296 Q297 D301 R302 T303 | S295-Q299 WeakPolarHBondContact O-CG 3.32Å; S295-Q299 PolarHBondContact O-N 3.01Å; E296-Q299 WeakPolarHBondContact O-CB 3.28Å; E296-Q299 PolarHBondContact O-N 3.38Å; E296-Q299 VanDerWaalsContact O-N 3.1Å; Q297-Q299 VanDerWaalsContact C-N 3.26Å; Q297-Q299 PolarHBondContact O-N 3.1Å; Q299-D301 VanDerWaalsContact C-N 3.28Å; Q299-D301 PolarHBondContact O-N 2.73Å; Q299-R302 WeakPolarHBondContact O-CB 3.35Å; Q299-R302 PolarHBondContact O-N 2.87Å; Q299-R302 VanDerWaalsContact O-N 3.1Å; Q299-T303 PolarHBondContact O-N 2.93Å; Q299-T303 PolarHBondContact O-OG1 3.21Å |
| 300 | T | 94 | Very high | 93.9 | Very high | 70 Ų | 70 | 99 Ų | 99 | 43% | 0.429 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 174.6 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | E296 Q297 R302 T303 L304 | E296-T300 PolarHBondContact O-N 3.24Å; E296-T300 PolarHBondContact O-OG1 3.44Å; Q297-T300 WeakPolarHBondContact CA-OG1 3.39Å; Q297-T300 PolarHBondContact O-N 3.44Å; Q297-T300 PolarHBondContact O-OG1 2.69Å; T300-R302 VanDerWaalsContact C-N 3.31Å; T300-R302 PolarHBondContact O-N 3.05Å; T300-T303 PolarHBondContact O-OG1 2.9Å; T300-L304 WeakPolarHBondContact O-CB 3.46Å; T300-L304 WeakPolarHBondContact O-CG 3.38Å; T300-L304 PolarHBondContact O-N 2.71Å |
| 301 | D | 94.8 | Very high | 94.3 | Very high | 62 Ų | 62 | 101 Ų | 101 | 33% | 0.332 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.6 | -25.7 | 175.4 | -83.9 | 10.4 | 0 | 0 | 0 | 112.5 | Q297 Q299 R305 | Q297-D301 WeakPolarHBondContact O-CB 3.48Å; Q297-D301 PolarHBondContact O-N 3.47Å; Q299-D301 VanDerWaalsContact C-N 3.28Å; Q299-D301 PolarHBondContact O-N 2.73Å; D301-R305 VanDerWaalsContact C-NH1 3.32Å; D301-R305 WeakPolarHBondContact O-CG 3.29Å; D301-R305 PolarHBondContact O-N 3.12Å; D301-R305 PolarHBondContact O-NH1 3.22Å |
| 302 | R | 94.1 | Very high | 94.5 | Very high | 166 Ų | 166 | 101.2 Ų | 101.2 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -75.1 | -51.3 | 171.5 | -75.8 | 166.2 | -170.4 | 172.8 | 5.1 | 110.5 | S298 Q299 T300 L304 R305 E306 | S298-R302 WeakPolarHBondContact O-CD 3.23Å; S298-R302 WeakPolarHBondContact O-CG 3.41Å; S298-R302 PolarHBondContact O-N 3.35Å; Q299-R302 WeakPolarHBondContact O-CB 3.35Å; Q299-R302 PolarHBondContact O-N 2.87Å; Q299-R302 VanDerWaalsContact O-N 3.1Å; T300-R302 VanDerWaalsContact C-N 3.31Å; T300-R302 PolarHBondContact O-N 3.05Å; R302-L304 VanDerWaalsContact C-N 3.29Å; R302-L304 PolarHBondContact O-N 2.98Å; R302-R305 PolarHBondContact O-N 3.47Å; R302-E306 PolarHBondContact O-N 2.89Å |
| 303 | T | 94.7 | Very high | 94.7 | Very high | 69 Ų | 69 | 100.4 Ų | 100.4 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -33 | 178.7 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | Q299 T300 E306 L307 | Q299-T303 PolarHBondContact O-N 2.93Å; Q299-T303 PolarHBondContact O-OG1 3.21Å; T300-T303 PolarHBondContact O-OG1 2.9Å; T303-E306 PolarHBondContact O-N 3.34Å; T303-L307 VanDerWaalsContact O-CB 3.24Å; T303-L307 WeakPolarHBondContact O-CB 3.35Å; T303-L307 WeakPolarHBondContact O-CD1 3.23Å; T303-L307 VanDerWaalsContact O-CG 3.28Å; T303-L307 WeakPolarHBondContact O-CG 3.42Å; T303-L307 PolarHBondContact O-N 3.03Å |
| 304 | L | 94.8 | Very high | 94.8 | Very high | 83 Ų | 83 | 97.9 Ų | 97.9 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -32.5 | 171.2 | -81 | 169.6 | 0 | 0 | 0 | 113.4 | T300 R302 R308 | T300-L304 WeakPolarHBondContact O-CB 3.46Å; T300-L304 WeakPolarHBondContact O-CG 3.38Å; T300-L304 PolarHBondContact O-N 2.71Å; R302-L304 VanDerWaalsContact C-N 3.29Å; R302-L304 PolarHBondContact O-N 2.98Å; L304-R308 WeakPolarHBondContact O-CB 3.32Å; L304-R308 WeakPolarHBondContact O-CD 3.21Å; L304-R308 WeakPolarHBondContact O-CG 3.4Å; L304-R308 PolarHBondContact O-N 3.43Å |
| 305 | R | 94.9 | Very high | 95 | Very high | 161 Ų | 161 | 97.2 Ų | 97.2 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.8 | -42.8 | 172.8 | -75.9 | 179.6 | -168.4 | 91.8 | -3 | 111.1 | D301 R302 R308 S309 | D301-R305 VanDerWaalsContact C-NH1 3.32Å; D301-R305 WeakPolarHBondContact O-CG 3.29Å; D301-R305 PolarHBondContact O-N 3.12Å; D301-R305 PolarHBondContact O-NH1 3.22Å; R302-R305 PolarHBondContact O-N 3.47Å; R305-R308 WeakPolarHBondContact O-CB 3.43Å; R305-R308 PolarHBondContact O-N 3.15Å; R305-S309 PolarHBondContact O-N 2.77Å; R305-S309 PolarHBondContact O-OG 3.3Å |
| 306 | E | 95.7 | Very high | 95.1 | Very high | 110 Ų | 110 | 101.5 Ų | 101.5 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 178.9 | -172.4 | 177.3 | 179.9 | 0 | 0 | 112.3 | R302 T303 R308 S309 Q310 | R302-E306 PolarHBondContact O-N 2.89Å; T303-E306 PolarHBondContact O-N 3.34Å; E306-R308 VanDerWaalsContact C-N 3.31Å; E306-R308 PolarHBondContact O-N 2.84Å; E306-S309 WeakPolarHBondContact CA-OG 3.48Å; E306-S309 PolarHBondContact O-N 2.72Å; E306-S309 PolarHBondContact O-OG 2.79Å; E306-Q310 WeakPolarHBondContact O-CB 3.42Å; E306-Q310 VanDerWaalsContact O-CG 3.29Å; E306-Q310 WeakPolarHBondContact O-CG 3.2Å; E306-Q310 PolarHBondContact O-N 3.29Å |
| 307 | L | 95 | Very high | 95.3 | Very high | 97 Ų | 97 | 100 Ų | 100 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -34.3 | 172.5 | -76.9 | 164.1 | 0 | 0 | 0 | 112.2 | T303 V311 | T303-L307 VanDerWaalsContact O-CB 3.24Å; T303-L307 WeakPolarHBondContact O-CB 3.35Å; T303-L307 WeakPolarHBondContact O-CD1 3.23Å; T303-L307 VanDerWaalsContact O-CG 3.28Å; T303-L307 WeakPolarHBondContact O-CG 3.42Å; T303-L307 PolarHBondContact O-N 3.03Å; L307-V311 WeakPolarHBondContact O-CB 3.48Å; L307-V311 VanDerWaalsContact O-CG2 3.29Å; L307-V311 WeakPolarHBondContact O-CG2 3.07Å; L307-V311 PolarHBondContact O-N 2.8Å |
| 308 | R | 95.4 | Very high | 95.3 | Very high | 171 Ų | 171 | 99.9 Ų | 99.9 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.6 | -49.5 | 173.3 | -78.6 | 171.4 | -172.5 | -155.5 | 2.6 | 111.5 | L304 R305 E306 Q310 V311 D312 | L304-R308 WeakPolarHBondContact O-CB 3.32Å; L304-R308 WeakPolarHBondContact O-CD 3.21Å; L304-R308 WeakPolarHBondContact O-CG 3.4Å; L304-R308 PolarHBondContact O-N 3.43Å; R305-R308 WeakPolarHBondContact O-CB 3.43Å; R305-R308 PolarHBondContact O-N 3.15Å; E306-R308 VanDerWaalsContact C-N 3.31Å; E306-R308 PolarHBondContact O-N 2.84Å; R308-Q310 VanDerWaalsContact C-N 3.28Å; R308-Q310 PolarHBondContact O-N 3.26Å; R308-V311 CarbonylContact O-C 3.56Å; R308-V311 WeakPolarHBondContact O-CA 3.45Å; R308-V311 WeakPolarHBondContact O-CB 3.26Å; R308-V311 PolarHBondContact O-N 2.77Å; R308-D312 VanDerWaalsContact O-CG 3.23Å; R308-D312 PolarHBondContact O-N 2.9Å |
| 309 | S | 95.2 | Very high | 95.5 | Very high | 53 Ų | 53 | 101.1 Ų | 101.1 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.3 | -39.4 | 175.9 | 48.4 | 0 | 0 | 0 | 0 | 112 | R305 E306 V311 D312 D313 | R305-S309 PolarHBondContact O-N 2.77Å; R305-S309 PolarHBondContact O-OG 3.3Å; E306-S309 WeakPolarHBondContact CA-OG 3.48Å; E306-S309 PolarHBondContact O-N 2.72Å; E306-S309 PolarHBondContact O-OG 2.79Å; S309-V311 VanDerWaalsContact C-N 3.33Å; S309-V311 PolarHBondContact O-N 3.34Å; S309-D312 PolarHBondContact O-N 3.21Å; S309-D313 VanDerWaalsContact O-CB 3.31Å; S309-D313 WeakPolarHBondContact O-CB 3.33Å; S309-D313 PolarHBondContact O-N 3.22Å |
| 310 | Q | 96.3 | Very high | 95.5 | Very high | 91 Ų | 91 | 97.8 Ų | 97.8 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 173.7 | -72 | 173.1 | 15.9 | 0 | 0 | 112.8 | E306 R308 L314 | E306-Q310 WeakPolarHBondContact O-CB 3.42Å; E306-Q310 VanDerWaalsContact O-CG 3.29Å; E306-Q310 WeakPolarHBondContact O-CG 3.2Å; E306-Q310 PolarHBondContact O-N 3.29Å; R308-Q310 VanDerWaalsContact C-N 3.28Å; R308-Q310 PolarHBondContact O-N 3.26Å; Q310-L314 VanDerWaalsContact O-CB 3.28Å; Q310-L314 WeakPolarHBondContact O-CB 3.38Å; Q310-L314 WeakPolarHBondContact O-CD1 3.4Å; Q310-L314 WeakPolarHBondContact O-CG 3.5Å; Q310-L314 PolarHBondContact O-N 2.83Å |
| 311 | V | 96.9 | Very high | 95.6 | Very high | 85 Ų | 85 | 100.5 Ų | 100.5 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.1 | -39.9 | 173.7 | 165.9 | 0 | 0 | 0 | 0 | 111.5 | L307 R308 S309 T315 | L307-V311 WeakPolarHBondContact O-CB 3.48Å; L307-V311 VanDerWaalsContact O-CG2 3.29Å; L307-V311 WeakPolarHBondContact O-CG2 3.07Å; L307-V311 PolarHBondContact O-N 2.8Å; R308-V311 CarbonylContact O-C 3.56Å; R308-V311 WeakPolarHBondContact O-CA 3.45Å; R308-V311 WeakPolarHBondContact O-CB 3.26Å; R308-V311 PolarHBondContact O-N 2.77Å; S309-V311 VanDerWaalsContact C-N 3.33Å; S309-V311 PolarHBondContact O-N 3.34Å; V311-T315 VanDerWaalsContact O-CB 3.31Å; V311-T315 WeakPolarHBondContact O-CB 3.39Å; V311-T315 PolarHBondContact O-N 3.48Å; V311-T315 PolarHBondContact O-OG1 3.1Å |
| 312 | D | 96.3 | Very high | 95.7 | Very high | 105 Ų | 105 | 102 Ų | 102 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -47.9 | 177.7 | -63.6 | -33.9 | 0 | 0 | 0 | 110.6 | R308 S309 L314 T315 E316 | R308-D312 VanDerWaalsContact O-CG 3.23Å; R308-D312 PolarHBondContact O-N 2.9Å; S309-D312 PolarHBondContact O-N 3.21Å; D312-L314 PolarHBondContact O-N 2.97Å; D312-T315 WeakPolarHBondContact O-CB 3.29Å; D312-T315 PolarHBondContact O-N 2.94Å; D312-T315 VanDerWaalsContact O-N 3.09Å; D312-E316 PolarHBondContact O-N 3.41Å |
| 313 | D | 96.6 | Very high | 95.7 | Very high | 105 Ų | 105 | 95.8 Ų | 95.8 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.8 | -45.7 | 174 | -69.9 | -24.9 | 0 | 0 | 0 | 111.7 | S309 T315 E316 A317 | S309-D313 VanDerWaalsContact O-CB 3.31Å; S309-D313 WeakPolarHBondContact O-CB 3.33Å; S309-D313 PolarHBondContact O-N 3.22Å; D313-T315 VanDerWaalsContact C-N 3.32Å; D313-T315 PolarHBondContact O-N 2.89Å; D313-E316 PolarHBondContact O-N 3.03Å; D313-A317 VanDerWaalsContact O-CB 3.27Å; D313-A317 WeakPolarHBondContact O-CB 3.44Å; D313-A317 PolarHBondContact O-N 3.36Å |
| 314 | L | 95.9 | Very high | 95.8 | Very high | 123 Ų | 123 | 97.2 Ų | 97.2 | 64% | 0.644 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.6 | -31.9 | 176.7 | -75.2 | 171.1 | 0 | 0 | 0 | 112.2 | Q310 D312 L318 | Q310-L314 VanDerWaalsContact O-CB 3.28Å; Q310-L314 WeakPolarHBondContact O-CB 3.38Å; Q310-L314 WeakPolarHBondContact O-CD1 3.4Å; Q310-L314 WeakPolarHBondContact O-CG 3.5Å; Q310-L314 PolarHBondContact O-N 2.83Å; D312-L314 PolarHBondContact O-N 2.97Å; L314-L318 WeakPolarHBondContact O-CB 3.17Å; L314-L318 PolarHBondContact O-N 3.19Å |
| 315 | T | 96.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 97.3 Ų | 97.3 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.9 | -41.2 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | V311 D312 D313 L318 S319 | V311-T315 VanDerWaalsContact O-CB 3.31Å; V311-T315 WeakPolarHBondContact O-CB 3.39Å; V311-T315 PolarHBondContact O-N 3.48Å; V311-T315 PolarHBondContact O-OG1 3.1Å; D312-T315 WeakPolarHBondContact O-CB 3.29Å; D312-T315 PolarHBondContact O-N 2.94Å; D312-T315 VanDerWaalsContact O-N 3.09Å; D313-T315 VanDerWaalsContact C-N 3.32Å; D313-T315 PolarHBondContact O-N 2.89Å; T315-L318 PolarHBondContact O-N 3.37Å; T315-S319 PolarHBondContact O-N 2.82Å |
| 316 | E | 96.4 | Very high | 96 | Very high | 142 Ų | 142 | 92.1 Ų | 92.1 | 66% | 0.664 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -45.9 | 171.9 | -173.2 | 172.1 | 168.8 | 0 | 0 | 110.6 | D312 D313 L318 S319 A320 | D312-E316 PolarHBondContact O-N 3.41Å; D313-E316 PolarHBondContact O-N 3.03Å; E316-L318 VanDerWaalsContact C-N 3.31Å; E316-L318 PolarHBondContact O-N 3.39Å; E316-S319 PolarHBondContact O-N 2.96Å; E316-S319 VanDerWaalsContact O-N 3.1Å; E316-S319 PolarHBondContact O-OG 3.47Å; E316-A320 WeakPolarHBondContact O-CB 3.09Å; E316-A320 PolarHBondContact O-N 3.36Å |
| 317 | A | 96.4 | Very high | 96 | Very high | 52 Ų | 52 | 90.6 Ų | 90.6 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | D313 K321 | D313-A317 VanDerWaalsContact O-CB 3.27Å; D313-A317 WeakPolarHBondContact O-CB 3.44Å; D313-A317 PolarHBondContact O-N 3.36Å; A317-K321 VanDerWaalsContact O-CG 3.3Å; A317-K321 WeakPolarHBondContact O-CG 3.44Å; A317-K321 PolarHBondContact O-N 2.64Å |
| 318 | L | 95.3 | Very high | 96.1 | Very high | 110 Ų | 110 | 91.5 Ų | 91.5 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -48.7 | 171.9 | -170.5 | 75.7 | 0 | 0 | 0 | 110.8 | L314 T315 E316 A320 K321 D322 | L314-L318 WeakPolarHBondContact O-CB 3.17Å; L314-L318 PolarHBondContact O-N 3.19Å; T315-L318 PolarHBondContact O-N 3.37Å; E316-L318 VanDerWaalsContact C-N 3.31Å; E316-L318 PolarHBondContact O-N 3.39Å; L318-A320 VanDerWaalsContact C-N 3.28Å; L318-A320 PolarHBondContact O-N 2.91Å; L318-K321 CarbonylContact O-C 3.59Å; L318-K321 WeakPolarHBondContact O-CA 2.77Å; L318-K321 WeakPolarHBondContact O-CB 3.36Å; L318-K321 PolarHBondContact O-N 3.43Å; L318-D322 PolarHBondContact O-N 2.76Å |
| 319 | S | 95.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 89.3 Ų | 89.3 | 49% | 0.49 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -36.4 | 179.1 | 80.5 | 0 | 0 | 0 | 0 | 112.7 | T315 E316 K321 D322 G323 | T315-S319 PolarHBondContact O-N 2.82Å; E316-S319 PolarHBondContact O-N 2.96Å; E316-S319 VanDerWaalsContact O-N 3.1Å; E316-S319 PolarHBondContact O-OG 3.47Å; S319-K321 VanDerWaalsContact C-N 3.34Å; S319-D322 PolarHBondContact O-N 3.35Å; S319-G323 PolarHBondContact O-N 3.46Å |
| 320 | A | 95.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 90.5 Ų | 90.5 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -32.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | E316 L318 Q324 | E316-A320 WeakPolarHBondContact O-CB 3.09Å; E316-A320 PolarHBondContact O-N 3.36Å; L318-A320 VanDerWaalsContact C-N 3.28Å; L318-A320 PolarHBondContact O-N 2.91Å; A320-Q324 VanDerWaalsContact O-CG 3.26Å; A320-Q324 WeakPolarHBondContact O-CG 3.13Å; A320-Q324 PolarHBondContact O-N 2.8Å |
| 321 | K | 95.4 | Very high | 96.2 | Very high | 127 Ų | 127 | 94 Ų | 94 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.7 | -41.4 | 172.8 | -73.2 | -73.4 | 161.9 | -160.6 | 0 | 112.2 | A317 L318 S319 G323 Q324 L325 | A317-K321 VanDerWaalsContact O-CG 3.3Å; A317-K321 WeakPolarHBondContact O-CG 3.44Å; A317-K321 PolarHBondContact O-N 2.64Å; L318-K321 CarbonylContact O-C 3.59Å; L318-K321 WeakPolarHBondContact O-CA 2.77Å; L318-K321 WeakPolarHBondContact O-CB 3.36Å; L318-K321 PolarHBondContact O-N 3.43Å; S319-K321 VanDerWaalsContact C-N 3.34Å; K321-G323 VanDerWaalsContact C-N 3.33Å; K321-G323 PolarHBondContact O-N 2.84Å; K321-Q324 WeakPolarHBondContact O-CB 3.46Å; K321-Q324 PolarHBondContact O-N 3.43Å; K321-L325 WeakPolarHBondContact O-CB 3.36Å; K321-L325 PolarHBondContact O-N 3.06Å |
| 322 | D | 96.2 | Very high | 96.2 | Very high | 93 Ų | 93 | 95.2 Ų | 95.2 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 173.3 | -74 | -36 | 0 | 0 | 0 | 111.7 | L318 S319 L325 A326 | L318-D322 PolarHBondContact O-N 2.76Å; S319-D322 PolarHBondContact O-N 3.35Å; D322-L325 PolarHBondContact O-N 2.9Å; D322-A326 WeakPolarHBondContact O-CB 3.45Å; D322-A326 PolarHBondContact O-N 2.9Å |
| 323 | G | 95.8 | Very high | 96.3 | Very high | 36 Ų | 36 | 95 Ų | 95 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S319 K321 L325 A326 V327 | S319-G323 PolarHBondContact O-N 3.46Å; K321-G323 VanDerWaalsContact C-N 3.33Å; K321-G323 PolarHBondContact O-N 2.84Å; G323-L325 VanDerWaalsContact C-N 3.33Å; G323-L325 PolarHBondContact O-N 2.78Å; G323-A326 PolarHBondContact O-N 3.47Å; G323-V327 WeakPolarHBondContact O-CG2 3.49Å; G323-V327 PolarHBondContact O-N 3.09Å |
| 324 | Q | 96.9 | Very high | 96.2 | Very high | 98 Ų | 98 | 95 Ų | 95 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 173.1 | -75.1 | 168.2 | 17.3 | 0 | 0 | 111.7 | A320 K321 V327 L328 | A320-Q324 VanDerWaalsContact O-CG 3.26Å; A320-Q324 WeakPolarHBondContact O-CG 3.13Å; A320-Q324 PolarHBondContact O-N 2.8Å; K321-Q324 WeakPolarHBondContact O-CB 3.46Å; K321-Q324 PolarHBondContact O-N 3.43Å; Q324-V327 PolarHBondContact O-N 2.85Å; Q324-L328 WeakPolarHBondContact O-CB 3.38Å; Q324-L328 VanDerWaalsContact O-CG 3.31Å; Q324-L328 WeakPolarHBondContact O-CG 3.27Å; Q324-L328 PolarHBondContact O-N 2.8Å |
| 325 | L | 95.9 | Very high | 96.2 | Very high | 86 Ų | 86 | 91.2 Ų | 91.2 | 45% | 0.45 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -39 | 179.3 | -158.2 | 163.2 | 0 | 0 | 0 | 111.3 | K321 D322 G323 L328 K329 | K321-L325 WeakPolarHBondContact O-CB 3.36Å; K321-L325 PolarHBondContact O-N 3.06Å; D322-L325 PolarHBondContact O-N 2.9Å; G323-L325 VanDerWaalsContact C-N 3.33Å; G323-L325 PolarHBondContact O-N 2.78Å; L325-L328 PolarHBondContact O-N 3.42Å; L325-K329 HydrophobicContact CD2-CD 3.79Å; L325-K329 HydrophobicContact CD2-CG 4.19Å; L325-K329 WeakPolarHBondContact O-CG 3.24Å; L325-K329 PolarHBondContact O-N 3.49Å |
| 326 | A | 96.4 | Very high | 96.2 | Very high | 52 Ų | 52 | 90.2 Ų | 90.2 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D322 G323 L328 K329 V330 | D322-A326 WeakPolarHBondContact O-CB 3.45Å; D322-A326 PolarHBondContact O-N 2.9Å; G323-A326 PolarHBondContact O-N 3.47Å; A326-L328 VanDerWaalsContact C-N 3.33Å; A326-L328 PolarHBondContact O-N 3Å; A326-K329 PolarHBondContact O-N 2.8Å; A326-V330 WeakPolarHBondContact O-CG2 3.33Å; A326-V330 PolarHBondContact O-N 2.92Å |
| 327 | V | 97.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 90.2 Ų | 90.2 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 176.1 | 172 | 0 | 0 | 0 | 0 | 111.9 | G323 Q324 R331 | G323-V327 WeakPolarHBondContact O-CG2 3.49Å; G323-V327 PolarHBondContact O-N 3.09Å; Q324-V327 PolarHBondContact O-N 2.85Å; V327-R331 WeakPolarHBondContact O-CG 3.21Å; V327-R331 PolarHBondContact O-N 3.25Å |
| 328 | L | 96 | Very high | 96.3 | Very high | 116 Ų | 116 | 92.8 Ų | 92.8 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.2 | -36.3 | 175.3 | -73.1 | 171.8 | 0 | 0 | 0 | 112.6 | Q324 L325 A326 L332 | Q324-L328 WeakPolarHBondContact O-CB 3.38Å; Q324-L328 VanDerWaalsContact O-CG 3.31Å; Q324-L328 WeakPolarHBondContact O-CG 3.27Å; Q324-L328 PolarHBondContact O-N 2.8Å; L325-L328 PolarHBondContact O-N 3.42Å; A326-L328 VanDerWaalsContact C-N 3.33Å; A326-L328 PolarHBondContact O-N 3Å; L328-L332 WeakPolarHBondContact O-CB 3.2Å; L328-L332 PolarHBondContact O-N 2.83Å |
| 329 | K | 96.7 | Very high | 96.3 | Very high | 125 Ų | 125 | 92.8 Ų | 92.8 | 54% | 0.543 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -52.7 | 171.1 | -80.1 | 171.2 | 171.8 | 168.8 | 0 | 111.4 | L325 A326 R331 L332 D333 | L325-K329 HydrophobicContact CD2-CD 3.79Å; L325-K329 HydrophobicContact CD2-CG 4.19Å; L325-K329 WeakPolarHBondContact O-CG 3.24Å; L325-K329 PolarHBondContact O-N 3.49Å; A326-K329 PolarHBondContact O-N 2.8Å; K329-R331 VanDerWaalsContact C-N 3.3Å; K329-R331 PolarHBondContact O-N 3.17Å; K329-L332 WeakPolarHBondContact O-CA 3.41Å; K329-L332 WeakPolarHBondContact O-CB 3.47Å; K329-L332 PolarHBondContact O-N 3.02Å; K329-D333 PolarHBondContact O-N 3.32Å |
| 330 | V | 97.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 95.3 Ų | 95.3 | 47% | 0.473 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57 | -43.6 | 178.9 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | A326 L332 D333 E334 | A326-V330 WeakPolarHBondContact O-CG2 3.33Å; A326-V330 PolarHBondContact O-N 2.92Å; V330-L332 VanDerWaalsContact C-N 3.32Å; V330-L332 PolarHBondContact O-N 3.39Å; V330-D333 PolarHBondContact O-N 3.45Å; V330-E334 HydrophobicContact CG1-CG 4.36Å; V330-E334 WeakPolarHBondContact O-CB 3.43Å; V330-E334 VanDerWaalsContact O-CG 3.26Å; V330-E334 WeakPolarHBondContact O-CG 3.17Å; V330-E334 PolarHBondContact O-N 3.49Å |
| 331 | R | 96.3 | Very high | 96.5 | Very high | 164 Ų | 164 | 96.1 Ų | 96.1 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -31.1 | 175.5 | -77.3 | -178.7 | 174.6 | 167.6 | 0.7 | 114.1 | V327 K329 A335 | V327-R331 WeakPolarHBondContact O-CG 3.21Å; V327-R331 PolarHBondContact O-N 3.25Å; K329-R331 VanDerWaalsContact C-N 3.3Å; K329-R331 PolarHBondContact O-N 3.17Å; R331-A335 VanDerWaalsContact O-CB 3.28Å; R331-A335 WeakPolarHBondContact O-CB 3.36Å; R331-A335 PolarHBondContact O-N 3.41Å |
| 332 | L | 96.4 | Very high | 96.6 | Very high | 111 Ų | 111 | 99.1 Ų | 99.1 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.3 | -46.6 | 173.7 | -176.7 | 63.4 | 0 | 0 | 0 | 110.2 | L328 K329 V330 E334 A335 D336 | L328-L332 WeakPolarHBondContact O-CB 3.2Å; L328-L332 PolarHBondContact O-N 2.83Å; K329-L332 WeakPolarHBondContact O-CA 3.41Å; K329-L332 WeakPolarHBondContact O-CB 3.47Å; K329-L332 PolarHBondContact O-N 3.02Å; V330-L332 VanDerWaalsContact C-N 3.32Å; V330-L332 PolarHBondContact O-N 3.39Å; L332-E334 PolarHBondContact O-N 2.81Å; L332-A335 PolarHBondContact O-N 3.15Å; L332-D336 WeakPolarHBondContact O-CB 3.22Å; L332-D336 PolarHBondContact O-N 2.83Å |
| 333 | D | 97.1 | Very high | 96.6 | Very high | 102 Ų | 102 | 98 Ų | 98 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 176.4 | -65.9 | -41.5 | 0 | 0 | 0 | 111.8 | K329 V330 D336 Q337 | K329-D333 PolarHBondContact O-N 3.32Å; V330-D333 PolarHBondContact O-N 3.45Å; D333-D336 PolarHBondContact O-N 3.43Å; D333-Q337 WeakPolarHBondContact O-CB 3.27Å; D333-Q337 PolarHBondContact O-N 3.11Å |
| 334 | E | 95.6 | Very high | 96.7 | Very high | 103 Ų | 103 | 102.3 Ų | 102.3 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 171.8 | -76.6 | 172.5 | 172.8 | 0 | 0 | 111.8 | V330 L332 D336 Q337 L338 | V330-E334 HydrophobicContact CG1-CG 4.36Å; V330-E334 WeakPolarHBondContact O-CB 3.43Å; V330-E334 VanDerWaalsContact O-CG 3.26Å; V330-E334 WeakPolarHBondContact O-CG 3.17Å; V330-E334 PolarHBondContact O-N 3.49Å; L332-E334 PolarHBondContact O-N 2.81Å; E334-D336 VanDerWaalsContact C-N 3.34Å; E334-D336 PolarHBondContact O-N 3.48Å; E334-Q337 PolarHBondContact O-N 3.27Å; E334-L338 WeakPolarHBondContact O-CB 3.21Å; E334-L338 VanDerWaalsContact O-CG 3.31Å; E334-L338 WeakPolarHBondContact O-CG 3.49Å; E334-L338 PolarHBondContact O-N 2.91Å |
| 335 | A | 95.4 | Very high | 96.7 | Very high | 44 Ų | 44 | 100.3 Ų | 100.3 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R331 L332 L338 L339 | R331-A335 VanDerWaalsContact O-CB 3.28Å; R331-A335 WeakPolarHBondContact O-CB 3.36Å; R331-A335 PolarHBondContact O-N 3.41Å; L332-A335 PolarHBondContact O-N 3.15Å; A335-L338 PolarHBondContact O-N 3.05Å; A335-L339 WeakPolarHBondContact O-CG 3.43Å; A335-L339 PolarHBondContact O-N 2.99Å |
| 336 | D | 97 | Very high | 96.7 | Very high | 62 Ų | 62 | 101.7 Ų | 101.7 | 33% | 0.332 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 175 | -113.9 | 36.7 | 0 | 0 | 0 | 111.9 | L332 D333 E334 L339 K340 | L332-D336 WeakPolarHBondContact O-CB 3.22Å; L332-D336 PolarHBondContact O-N 2.83Å; D333-D336 PolarHBondContact O-N 3.43Å; E334-D336 VanDerWaalsContact C-N 3.34Å; E334-D336 PolarHBondContact O-N 3.48Å; D336-L339 PolarHBondContact O-N 3.31Å; D336-K340 WeakPolarHBondContact O-CB 3.45Å; D336-K340 VanDerWaalsContact O-CD 3.24Å; D336-K340 WeakPolarHBondContact O-CD 3.37Å; D336-K340 WeakPolarHBondContact O-CG 3.43Å; D336-K340 PolarHBondContact O-N 2.85Å; D336-K340 IonicContact OD2-NZ 3.84Å; D336-K340 PolarHBondContact OD2-NZ 2.86Å |
| 337 | Q | 96.6 | Very high | 96.8 | Very high | 142 Ų | 142 | 105.8 Ų | 105.8 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.2 | -36.7 | 175.3 | -167.1 | 175.2 | 26.4 | 0 | 0 | 111.7 | D333 E334 K340 S341 | D333-Q337 WeakPolarHBondContact O-CB 3.27Å; D333-Q337 PolarHBondContact O-N 3.11Å; E334-Q337 PolarHBondContact O-N 3.27Å; Q337-K340 PolarHBondContact O-N 2.74Å; Q337-S341 WeakPolarHBondContact O-CB 3.14Å; Q337-S341 PolarHBondContact O-N 2.98Å; Q337-S341 PolarHBondContact O-OG 3.35Å |
| 338 | L | 97.3 | Very high | 96.7 | Very high | 105 Ų | 105 | 107.8 Ų | 107.8 | 55% | 0.55 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 171.5 | -72.7 | 171.8 | 0 | 0 | 0 | 112.4 | E334 A335 S341 R342 | E334-L338 WeakPolarHBondContact O-CB 3.21Å; E334-L338 VanDerWaalsContact O-CG 3.31Å; E334-L338 WeakPolarHBondContact O-CG 3.49Å; E334-L338 PolarHBondContact O-N 2.91Å; A335-L338 PolarHBondContact O-N 3.05Å; L338-S341 WeakPolarHBondContact CA-OG 3.49Å; L338-S341 PolarHBondContact O-OG 3.38Å; L338-S341 VanDerWaalsContact O-OG 3.09Å; L338-R342 WeakPolarHBondContact O-CB 3.27Å; L338-R342 VanDerWaalsContact O-CG 3.24Å; L338-R342 WeakPolarHBondContact O-CG 3.46Å; L338-R342 PolarHBondContact O-N 2.91Å |
| 339 | L | 96.1 | Very high | 96.7 | Very high | 111 Ų | 111 | 105 Ų | 105 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.6 | -46.4 | 172.1 | -76.4 | 169.6 | 0 | 0 | 0 | 111.5 | A335 D336 S341 R342 S343 | A335-L339 WeakPolarHBondContact O-CG 3.43Å; A335-L339 PolarHBondContact O-N 2.99Å; D336-L339 PolarHBondContact O-N 3.31Å; L339-S341 PolarHBondContact O-N 3.1Å; L339-R342 PolarHBondContact O-N 2.69Å; L339-S343 PolarHBondContact O-N 2.91Å; L339-S343 PolarHBondContact O-OG 3.22Å |
| 340 | K | 97.8 | Very high | 96.6 | Very high | 123 Ų | 123 | 105.3 Ų | 105.3 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 178.8 | -71.7 | 157 | -164.3 | 158.7 | 0 | 112.5 | D336 Q337 S343 F344 | D336-K340 WeakPolarHBondContact O-CB 3.45Å; D336-K340 VanDerWaalsContact O-CD 3.24Å; D336-K340 WeakPolarHBondContact O-CD 3.37Å; D336-K340 WeakPolarHBondContact O-CG 3.43Å; D336-K340 PolarHBondContact O-N 2.85Å; D336-K340 IonicContact OD2-NZ 3.84Å; D336-K340 PolarHBondContact OD2-NZ 2.86Å; Q337-K340 PolarHBondContact O-N 2.74Å; K340-S343 WeakPolarHBondContact CA-OG 3.47Å; K340-S343 PolarHBondContact O-OG 2.94Å; K340-F344 WeakPolarHBondContact O-CB 3.29Å; K340-F344 PolarHBondContact O-N 2.89Å |
| 341 | S | 96.9 | Very high | 96.6 | Very high | 63 Ų | 63 | 109 Ų | 109 | 44% | 0.441 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 174.9 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | Q337 L338 L339 A345 | Q337-S341 WeakPolarHBondContact O-CB 3.14Å; Q337-S341 PolarHBondContact O-N 2.98Å; Q337-S341 PolarHBondContact O-OG 3.35Å; L338-S341 WeakPolarHBondContact CA-OG 3.49Å; L338-S341 PolarHBondContact O-OG 3.38Å; L338-S341 VanDerWaalsContact O-OG 3.09Å; L339-S341 PolarHBondContact O-N 3.1Å; S341-A345 WeakPolarHBondContact O-CB 3.36Å; S341-A345 PolarHBondContact O-N 2.95Å |
| 342 | R | 96.9 | Very high | 96.6 | Very high | 190 Ų | 190 | 107.2 Ų | 107.2 | 72% | 0.717 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 173 | -77 | 177.9 | 175.9 | -156.8 | -0.5 | 112.8 | L338 L339 A345 L346 | L338-R342 WeakPolarHBondContact O-CB 3.27Å; L338-R342 VanDerWaalsContact O-CG 3.24Å; L338-R342 WeakPolarHBondContact O-CG 3.46Å; L338-R342 PolarHBondContact O-N 2.91Å; L339-R342 PolarHBondContact O-N 2.69Å; R342-A345 PolarHBondContact O-N 2.81Å; R342-L346 WeakPolarHBondContact O-CB 3.31Å; R342-L346 PolarHBondContact O-N 3.35Å |
| 343 | S | 97.4 | Very high | 96.6 | Very high | 70 Ų | 70 | 108.9 Ų | 108.9 | 49% | 0.49 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 177.6 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | L339 K340 L346 E347 | L339-S343 PolarHBondContact O-N 2.91Å; L339-S343 PolarHBondContact O-OG 3.22Å; K340-S343 WeakPolarHBondContact CA-OG 3.47Å; K340-S343 PolarHBondContact O-OG 2.94Å; S343-L346 PolarHBondContact O-N 3.14Å; S343-E347 WeakPolarHBondContact O-CB 3.48Å; S343-E347 PolarHBondContact O-N 2.9Å |
| 344 | F | 97.7 | Very high | 96.5 | Very high | 126 Ų | 126 | 107.4 Ų | 107.4 | 55% | 0.553 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.8 | -47.4 | 174.3 | -177.1 | -89.7 | 0 | 0 | 0 | 111.9 | K340 L346 E347 E348 | K340-F344 WeakPolarHBondContact O-CB 3.29Å; K340-F344 PolarHBondContact O-N 2.89Å; F344-L346 VanDerWaalsContact C-N 3.28Å; F344-L346 PolarHBondContact O-N 3.17Å; F344-E347 PolarHBondContact O-N 3.43Å; F344-E348 WeakPolarHBondContact O-CB 3.49Å; F344-E348 PolarHBondContact O-N 3.37Å |
| 345 | A | 96.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 110.2 Ų | 110.2 | 46% | 0.463 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.2 | -32.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | S341 R342 A349 | S341-A345 WeakPolarHBondContact O-CB 3.36Å; S341-A345 PolarHBondContact O-N 2.95Å; R342-A345 PolarHBondContact O-N 2.81Å; A345-A349 VanDerWaalsContact O-CB 3.3Å; A345-A349 WeakPolarHBondContact O-CB 3.28Å; A345-A349 PolarHBondContact O-N 2.84Å |
| 346 | L | 95.9 | Very high | 96.6 | Very high | 116 Ų | 116 | 112.8 Ų | 112.8 | 61% | 0.607 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.4 | -41.9 | 175.9 | -154.4 | 167.4 | 0 | 0 | 0 | 111.1 | R342 S343 F344 A349 Q350 | R342-L346 WeakPolarHBondContact O-CB 3.31Å; R342-L346 PolarHBondContact O-N 3.35Å; S343-L346 PolarHBondContact O-N 3.14Å; F344-L346 VanDerWaalsContact C-N 3.28Å; F344-L346 PolarHBondContact O-N 3.17Å; L346-A349 PolarHBondContact O-N 2.88Å; L346-Q350 VanDerWaalsContact O-CB 3.28Å; L346-Q350 WeakPolarHBondContact O-CB 3.48Å; L346-Q350 PolarHBondContact O-N 3.33Å |
| 347 | E | 97.6 | Very high | 96.5 | Very high | 137 Ų | 137 | 115.2 Ų | 115.2 | 64% | 0.64 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62 | -44.4 | 173.5 | -172.3 | -178.3 | 168.9 | 0 | 0 | 111.7 | S343 F344 Q350 K351 | S343-E347 WeakPolarHBondContact O-CB 3.48Å; S343-E347 PolarHBondContact O-N 2.9Å; F344-E347 PolarHBondContact O-N 3.43Å; E347-Q350 PolarHBondContact O-N 2.88Å; E347-K351 WeakPolarHBondContact O-CB 3.29Å; E347-K351 PolarHBondContact O-N 2.96Å |
| 348 | E | 96.9 | Very high | 96.4 | Very high | 119 Ų | 119 | 113.8 Ų | 113.8 | 56% | 0.556 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64 | -44.2 | 177 | -172.6 | 160 | -134.8 | 0 | 0 | 111.7 | F344 Q350 K351 E352 | F344-E348 WeakPolarHBondContact O-CB 3.49Å; F344-E348 PolarHBondContact O-N 3.37Å; E348-Q350 PolarHBondContact O-N 3.45Å; E348-K351 WeakPolarHBondContact O-CB 3.24Å; E348-K351 PolarHBondContact O-N 3.06Å; E348-E352 PolarHBondContact O-N 3.39Å |
| 349 | A | 94.6 | Very high | 96.3 | Very high | 57 Ų | 57 | 112.3 Ų | 112.3 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -35.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A345 L346 K353 | A345-A349 VanDerWaalsContact O-CB 3.3Å; A345-A349 WeakPolarHBondContact O-CB 3.28Å; A345-A349 PolarHBondContact O-N 2.84Å; L346-A349 PolarHBondContact O-N 2.88Å; A349-K353 WeakPolarHBondContact O-CB 3.47Å; A349-K353 PolarHBondContact O-N 2.9Å |
| 350 | Q | 96.3 | Very high | 96.2 | Very high | 132 Ų | 132 | 113.4 Ų | 113.4 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.3 | -36 | 174.8 | -179.5 | 170.3 | -32.2 | 0 | 0 | 111.6 | L346 E347 E348 S354 | L346-Q350 VanDerWaalsContact O-CB 3.28Å; L346-Q350 WeakPolarHBondContact O-CB 3.48Å; L346-Q350 PolarHBondContact O-N 3.33Å; E347-Q350 PolarHBondContact O-N 2.88Å; E348-Q350 PolarHBondContact O-N 3.45Å; Q350-S354 PolarHBondContact O-N 3.26Å; Q350-S354 PolarHBondContact O-OG 3.4Å |
| 351 | K | 97 | Very high | 96.1 | Very high | 155 Ų | 155 | 111.7 Ų | 111.7 | 67% | 0.674 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.6 | -38.2 | 174.4 | -177.1 | -179.6 | 179.7 | -179.4 | 0 | 112.6 | E347 E348 S354 R355 | E347-K351 WeakPolarHBondContact O-CB 3.29Å; E347-K351 PolarHBondContact O-N 2.96Å; E348-K351 WeakPolarHBondContact O-CB 3.24Å; E348-K351 PolarHBondContact O-N 3.06Å; K351-S354 PolarHBondContact O-N 3.05Å; K351-S354 PolarHBondContact O-OG 3.4Å; K351-R355 WeakPolarHBondContact O-CB 3.4Å; K351-R355 PolarHBondContact O-N 3.42Å |
| 352 | E | 95.8 | Very high | 96 | Very high | 127 Ų | 127 | 113.6 Ų | 113.6 | 59% | 0.593 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.4 | -43.4 | 171.6 | -175.9 | 169.5 | -140.3 | 0 | 0 | 110.8 | E348 S354 R355 I356 | E348-E352 PolarHBondContact O-N 3.39Å; E352-S354 PolarHBondContact O-N 2.84Å; E352-R355 PolarHBondContact O-N 3.24Å; E352-I356 HydrophobicContact CG-CD1 3.86Å; E352-I356 HydrophobicContact CG-CG1 4.45Å; E352-I356 WeakPolarHBondContact O-CG1 3.32Å; E352-I356 PolarHBondContact O-N 3.48Å |
| 353 | K | 95.9 | Very high | 95.9 | Very high | 146 Ų | 146 | 106.6 Ų | 106.6 | 64% | 0.635 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.5 | -45.4 | 173.6 | -179.8 | -179.8 | 176.4 | -177.6 | 0 | 112.6 | A349 R355 I356 M357 | A349-K353 WeakPolarHBondContact O-CB 3.47Å; A349-K353 PolarHBondContact O-N 2.9Å; K353-R355 VanDerWaalsContact C-N 3.34Å; K353-I356 PolarHBondContact O-N 3.44Å; K353-M357 WeakPolarHBondContact O-CG 3.17Å; K353-M357 PolarHBondContact O-N 3.5Å |
| 354 | S | 96.1 | Very high | 95.7 | Very high | 71 Ų | 71 | 106.5 Ų | 106.5 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 179.3 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | Q350 K351 E352 M357 Q358 | Q350-S354 PolarHBondContact O-N 3.26Å; Q350-S354 PolarHBondContact O-OG 3.4Å; K351-S354 PolarHBondContact O-N 3.05Å; K351-S354 PolarHBondContact O-OG 3.4Å; E352-S354 PolarHBondContact O-N 2.84Å; S354-M357 PolarHBondContact O-N 3.38Å; S354-Q358 PolarHBondContact O-N 3.34Å |
| 355 | R | 97 | Very high | 95.6 | Very high | 162 Ų | 162 | 104.2 Ų | 104.2 | 61% | 0.611 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.5 | -50.2 | 171.5 | -179.6 | -175.2 | 169.3 | -178.2 | 1.8 | 112.2 | K351 E352 K353 M357 Q358 D359 | K351-R355 WeakPolarHBondContact O-CB 3.4Å; K351-R355 PolarHBondContact O-N 3.42Å; E352-R355 PolarHBondContact O-N 3.24Å; K353-R355 VanDerWaalsContact C-N 3.34Å; R355-M357 PolarHBondContact O-N 2.87Å; R355-Q358 CarbonylContact O-C 3.55Å; R355-Q358 WeakPolarHBondContact O-CA 3.15Å; R355-Q358 WeakPolarHBondContact O-CB 3.28Å; R355-Q358 PolarHBondContact O-N 2.86Å; R355-D359 IonicContact NE-OD2 2.74Å; R355-D359 PolarHBondContact NE-OD2 3.37Å; R355-D359 IonicContact NH2-OD2 3.59Å; R355-D359 WeakPolarHBondContact O-CB 3.33Å; R355-D359 VanDerWaalsContact O-CG 3.31Å; R355-D359 PolarHBondContact O-N 3.03Å |
| 356 | I | 95.5 | Very high | 95.4 | Very high | 99 Ų | 99 | 107.3 Ų | 107.3 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60 | -38.1 | 179.5 | -69.4 | 166.8 | 0 | 0 | 0 | 111 | E352 K353 H360 | E352-I356 HydrophobicContact CG-CD1 3.86Å; E352-I356 HydrophobicContact CG-CG1 4.45Å; E352-I356 WeakPolarHBondContact O-CG1 3.32Å; E352-I356 PolarHBondContact O-N 3.48Å; K353-I356 PolarHBondContact O-N 3.44Å; I356-H360 VanDerWaalsContact O-CB 3.23Å; I356-H360 WeakPolarHBondContact O-CB 3.26Å; I356-H360 PolarHBondContact O-N 2.82Å |
| 357 | M | 94.7 | Very high | 95.3 | Very high | 113 Ų | 113 | 107.4 Ų | 107.4 | 56% | 0.557 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.7 | -38.4 | 173.6 | -72 | -62.4 | -54.6 | 0 | 0 | 112.7 | K353 S354 R355 T361 | K353-M357 WeakPolarHBondContact O-CG 3.17Å; K353-M357 PolarHBondContact O-N 3.5Å; S354-M357 PolarHBondContact O-N 3.38Å; R355-M357 PolarHBondContact O-N 2.87Å; M357-T361 WeakPolarHBondContact O-CB 3.1Å; M357-T361 PolarHBondContact O-N 2.82Å; M357-T361 PolarHBondContact O-OG1 3.5Å |
| 358 | Q | 95.2 | Very high | 95.3 | Very high | 111 Ų | 111 | 104.3 Ų | 104.3 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67 | -53.7 | 174.1 | 179.5 | 174.4 | -9.9 | 0 | 0 | 111.2 | S354 R355 H360 T361 E362 | S354-Q358 PolarHBondContact O-N 3.34Å; R355-Q358 CarbonylContact O-C 3.55Å; R355-Q358 WeakPolarHBondContact O-CA 3.15Å; R355-Q358 WeakPolarHBondContact O-CB 3.28Å; R355-Q358 PolarHBondContact O-N 2.86Å; Q358-H360 PolarHBondContact O-N 3.1Å; Q358-T361 CarbonylContact O-C 3.6Å; Q358-T361 WeakPolarHBondContact O-CA 3.31Å; Q358-T361 WeakPolarHBondContact O-CB 3.35Å; Q358-T361 PolarHBondContact O-N 3.37Å; Q358-E362 HydrophobicContact CG-CG 4.36Å; Q358-E362 VanDerWaalsContact CG-OE1 3.27Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.26Å; Q358-E362 PolarHBondContact NE2-OE1 2.89Å; Q358-E362 PolarHBondContact O-N 2.84Å |
| 359 | D | 95.1 | Very high | 95.2 | Very high | 75 Ų | 75 | 104.1 Ų | 104.1 | 40% | 0.401 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -54.4 | -38.7 | 178.3 | -66.6 | -3.4 | 0 | 0 | 0 | 110.8 | R355 G363 | R355-D359 IonicContact NE-OD2 2.74Å; R355-D359 PolarHBondContact NE-OD2 3.37Å; R355-D359 IonicContact NH2-OD2 3.59Å; R355-D359 WeakPolarHBondContact O-CB 3.33Å; R355-D359 VanDerWaalsContact O-CG 3.31Å; R355-D359 PolarHBondContact O-N 3.03Å; D359-G363 PolarHBondContact O-N 3.39Å |
| 360 | H | 93.9 | Very high | 95.3 | Very high | 134 Ų | 134 | 103.6 Ų | 103.6 | 62% | 0.62 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.6 | -35.8 | 173.7 | -173.5 | -71.1 | 0 | 0 | 0 | 113.4 | I356 Q358 S364 | I356-H360 VanDerWaalsContact O-CB 3.23Å; I356-H360 WeakPolarHBondContact O-CB 3.26Å; I356-H360 PolarHBondContact O-N 2.82Å; Q358-H360 PolarHBondContact O-N 3.1Å; H360-S364 VanDerWaalsContact O-CB 3.22Å; H360-S364 WeakPolarHBondContact O-CB 3.49Å; H360-S364 PolarHBondContact O-N 3.39Å |
| 361 | T | 95.1 | Very high | 95.2 | Very high | 87 Ų | 87 | 101 Ų | 101 | 53% | 0.534 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.4 | -43 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | M357 Q358 S364 S365 | M357-T361 WeakPolarHBondContact O-CB 3.1Å; M357-T361 PolarHBondContact O-N 2.82Å; M357-T361 PolarHBondContact O-OG1 3.5Å; Q358-T361 CarbonylContact O-C 3.6Å; Q358-T361 WeakPolarHBondContact O-CA 3.31Å; Q358-T361 WeakPolarHBondContact O-CB 3.35Å; Q358-T361 PolarHBondContact O-N 3.37Å; T361-S364 PolarHBondContact O-N 3.29Å; T361-S365 WeakPolarHBondContact O-CB 3.49Å; T361-S365 PolarHBondContact O-N 2.85Å |
| 362 | E | 94.7 | Very high | 95.2 | Very high | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 173 | -68.8 | -179.6 | -162.1 | 0 | 0 | 111 | Q358 S364 S365 M366 | Q358-E362 HydrophobicContact CG-CG 4.36Å; Q358-E362 VanDerWaalsContact CG-OE1 3.27Å; Q358-E362 WeakPolarHBondContact CG-OE1 3.26Å; Q358-E362 PolarHBondContact NE2-OE1 2.89Å; Q358-E362 PolarHBondContact O-N 2.84Å; E362-S364 PolarHBondContact O-N 3.49Å; E362-S365 WeakPolarHBondContact O-CB 3.3Å; E362-S365 PolarHBondContact O-N 3.47Å; E362-M366 WeakPolarHBondContact O-CB 3.42Å; E362-M366 VanDerWaalsContact O-CG 3.32Å; E362-M366 WeakPolarHBondContact O-CG 3.31Å; E362-M366 PolarHBondContact O-N 3.3Å |
| 363 | G | 94.1 | Very high | 95.2 | Very high | 43 Ų | 43 | 100.1 Ų | 100.1 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D359 H367 | D359-G363 PolarHBondContact O-N 3.39Å; G363-H367 WeakPolarHBondContact O-CB 3.43Å; G363-H367 PolarHBondContact O-N 3.32Å |
| 364 | S | 93.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 98.5 Ų | 98.5 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 175.2 | -171.9 | 0 | 0 | 0 | 0 | 112 | H360 T361 E362 H367 S368 | H360-S364 VanDerWaalsContact O-CB 3.22Å; H360-S364 WeakPolarHBondContact O-CB 3.49Å; H360-S364 PolarHBondContact O-N 3.39Å; T361-S364 PolarHBondContact O-N 3.29Å; E362-S364 PolarHBondContact O-N 3.49Å; S364-H367 PolarHBondContact O-N 3.42Å; S364-S368 WeakPolarHBondContact O-CB 3.15Å; S364-S368 PolarHBondContact O-N 3.27Å |
| 365 | S | 95.6 | Very high | 95.2 | Very high | 78 Ų | 78 | 100.1 Ų | 100.1 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -49.3 | 175.4 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | T361 E362 H367 S368 Q369 | T361-S365 WeakPolarHBondContact O-CB 3.49Å; T361-S365 PolarHBondContact O-N 2.85Å; E362-S365 WeakPolarHBondContact O-CB 3.3Å; E362-S365 PolarHBondContact O-N 3.47Å; S365-H367 VanDerWaalsContact C-N 3.31Å; S365-H367 PolarHBondContact O-N 3.01Å; S365-S368 WeakPolarHBondContact O-CB 3.49Å; S365-S368 PolarHBondContact O-N 2.93Å; S365-Q369 PolarHBondContact O-N 3.2Å |
| 366 | M | 93.5 | Very high | 95.2 | Very high | 120 Ų | 120 | 97.9 Ų | 97.9 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -36.6 | 176.2 | -69.7 | -59.3 | -59.5 | 0 | 0 | 112.3 | E362 A370 | E362-M366 WeakPolarHBondContact O-CB 3.42Å; E362-M366 VanDerWaalsContact O-CG 3.32Å; E362-M366 WeakPolarHBondContact O-CG 3.31Å; E362-M366 PolarHBondContact O-N 3.3Å; M366-A370 VanDerWaalsContact O-CB 3.31Å; M366-A370 WeakPolarHBondContact O-CB 3.49Å; M366-A370 PolarHBondContact O-N 3.02Å |
| 367 | H | 93.6 | Very high | 95.2 | Very high | 119 Ų | 119 | 100.5 Ų | 100.5 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.7 | -42.9 | 174 | -174.1 | 61 | 0 | 0 | 0 | 111.9 | G363 S364 S365 A370 L371 | G363-H367 WeakPolarHBondContact O-CB 3.43Å; G363-H367 PolarHBondContact O-N 3.32Å; S364-H367 PolarHBondContact O-N 3.42Å; S365-H367 VanDerWaalsContact C-N 3.31Å; S365-H367 PolarHBondContact O-N 3.01Å; H367-A370 PolarHBondContact O-N 2.86Å; H367-L371 WeakPolarHBondContact O-CG 3.44Å; H367-L371 PolarHBondContact O-N 2.98Å |
| 368 | S | 96.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 99.8 Ų | 99.8 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 175.2 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | S364 S365 A370 L371 E372 | S364-S368 WeakPolarHBondContact O-CB 3.15Å; S364-S368 PolarHBondContact O-N 3.27Å; S365-S368 WeakPolarHBondContact O-CB 3.49Å; S365-S368 PolarHBondContact O-N 2.93Å; S368-A370 VanDerWaalsContact C-N 3.34Å; S368-A370 PolarHBondContact O-N 2.99Å; S368-L371 PolarHBondContact O-N 2.9Å; S368-E372 WeakPolarHBondContact O-CB 3.47Å; S368-E372 PolarHBondContact O-N 3.22Å |
| 369 | Q | 96.2 | Very high | 95.3 | Very high | 114 Ų | 114 | 101.6 Ų | 101.6 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 176.6 | -168.9 | -176.5 | 52.9 | 0 | 0 | 112.1 | S365 K373 | S365-Q369 PolarHBondContact O-N 3.2Å; Q369-K373 VanDerWaalsContact O-CB 3.28Å; Q369-K373 WeakPolarHBondContact O-CB 3.29Å; Q369-K373 PolarHBondContact O-N 3.13Å |
| 370 | A | 95.5 | Very high | 95.4 | Very high | 46 Ų | 46 | 102.3 Ų | 102.3 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | M366 H367 S368 I374 | M366-A370 VanDerWaalsContact O-CB 3.31Å; M366-A370 WeakPolarHBondContact O-CB 3.49Å; M366-A370 PolarHBondContact O-N 3.02Å; H367-A370 PolarHBondContact O-N 2.86Å; S368-A370 VanDerWaalsContact C-N 3.34Å; S368-A370 PolarHBondContact O-N 2.99Å; A370-I374 WeakPolarHBondContact O-CB 3.43Å; A370-I374 WeakPolarHBondContact O-CD1 3.42Å; A370-I374 VanDerWaalsContact O-CG1 3.24Å; A370-I374 WeakPolarHBondContact O-CG1 3.39Å; A370-I374 PolarHBondContact O-N 2.98Å |
| 371 | L | 95.2 | Very high | 95.4 | Very high | 77 Ų | 77 | 98.2 Ų | 98.2 | 40% | 0.403 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 174.3 | -73.1 | 176 | 0 | 0 | 0 | 111.9 | H367 S368 K373 I374 Q375 | H367-L371 WeakPolarHBondContact O-CG 3.44Å; H367-L371 PolarHBondContact O-N 2.98Å; S368-L371 PolarHBondContact O-N 2.9Å; L371-K373 PolarHBondContact O-N 3.32Å; L371-I374 PolarHBondContact O-N 3.07Å; L371-Q375 WeakPolarHBondContact O-CG 3.47Å; L371-Q375 PolarHBondContact O-N 3.03Å |
| 372 | E | 96.5 | Very high | 95.4 | Very high | 131 Ų | 131 | 98.5 Ų | 98.5 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.9 | -46.8 | 176.7 | -177.1 | 170.6 | -144.1 | 0 | 0 | 111.1 | S368 I374 Q375 E376 | S368-E372 WeakPolarHBondContact O-CB 3.47Å; S368-E372 PolarHBondContact O-N 3.22Å; E372-I374 VanDerWaalsContact C-N 3.32Å; E372-I374 PolarHBondContact O-N 3.31Å; E372-Q375 CarbonylContact O-C 3.6Å; E372-Q375 WeakPolarHBondContact O-CB 3.31Å; E372-Q375 PolarHBondContact O-N 3.21Å; E372-Q375 VanDerWaalsContact O-N 3.12Å; E372-E376 PolarHBondContact O-N 3.36Å |
| 373 | K | 96.6 | Very high | 95.5 | Very high | 134 Ų | 134 | 97.8 Ų | 97.8 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -33.5 | 175.7 | -169 | 169 | -171.7 | 166.9 | 0 | 113.2 | Q369 L371 R377 | Q369-K373 VanDerWaalsContact O-CB 3.28Å; Q369-K373 WeakPolarHBondContact O-CB 3.29Å; Q369-K373 PolarHBondContact O-N 3.13Å; L371-K373 PolarHBondContact O-N 3.32Å; K373-R377 WeakPolarHBondContact O-CB 3.35Å; K373-R377 WeakPolarHBondContact O-CG 3.42Å; K373-R377 PolarHBondContact O-N 3.02Å |
| 374 | I | 94.6 | Very high | 95.6 | Very high | 112 Ų | 112 | 98.6 Ų | 98.6 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.7 | -39.8 | 172.8 | -71.8 | 164.5 | 0 | 0 | 0 | 110.8 | A370 L371 E372 R377 L378 | A370-I374 WeakPolarHBondContact O-CB 3.43Å; A370-I374 WeakPolarHBondContact O-CD1 3.42Å; A370-I374 VanDerWaalsContact O-CG1 3.24Å; A370-I374 WeakPolarHBondContact O-CG1 3.39Å; A370-I374 PolarHBondContact O-N 2.98Å; L371-I374 PolarHBondContact O-N 3.07Å; E372-I374 VanDerWaalsContact C-N 3.32Å; E372-I374 PolarHBondContact O-N 3.31Å; I374-R377 PolarHBondContact O-N 2.81Å; I374-L378 WeakPolarHBondContact O-CB 3.44Å; I374-L378 PolarHBondContact O-N 3.4Å |
| 375 | Q | 96.1 | Very high | 95.7 | Very high | 104 Ų | 104 | 98.7 Ų | 98.7 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 174.7 | -69.6 | 179.6 | 28.4 | 0 | 0 | 112.7 | L371 E372 R379 | L371-Q375 WeakPolarHBondContact O-CG 3.47Å; L371-Q375 PolarHBondContact O-N 3.03Å; E372-Q375 CarbonylContact O-C 3.6Å; E372-Q375 WeakPolarHBondContact O-CB 3.31Å; E372-Q375 PolarHBondContact O-N 3.21Å; E372-Q375 VanDerWaalsContact O-N 3.12Å; Q375-R379 WeakPolarHBondContact O-CG 3.45Å; Q375-R379 PolarHBondContact O-N 3.09Å |
| 376 | E | 96.6 | Very high | 95.7 | Very high | 116 Ų | 116 | 102.4 Ų | 102.4 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -52.9 | 172.1 | -177.3 | 178.1 | -129.6 | 0 | 0 | 110.5 | E372 L378 R379 E380 | E372-E376 PolarHBondContact O-N 3.36Å; E376-L378 VanDerWaalsContact C-N 3.27Å; E376-L378 PolarHBondContact O-N 2.86Å; E376-R379 PolarHBondContact O-N 2.91Å; E376-R379 VanDerWaalsContact O-N 3.08Å; E376-E380 PolarHBondContact O-N 3.47Å |
| 377 | R | 95.9 | Very high | 95.8 | Very high | 153 Ų | 153 | 104.4 Ų | 104.4 | 58% | 0.577 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.4 | -36.2 | 175.5 | -72.3 | -50 | -158 | -178.3 | 0.4 | 113.2 | K373 I374 E380 A381 | K373-R377 WeakPolarHBondContact O-CB 3.35Å; K373-R377 WeakPolarHBondContact O-CG 3.42Å; K373-R377 PolarHBondContact O-N 3.02Å; I374-R377 PolarHBondContact O-N 2.81Å; R377-E380 WeakPolarHBondContact CD-OE2 3.37Å; R377-E380 IonicContact CZ-OE2 3.99Å; R377-E380 IonicContact NE-OE2 3.13Å; R377-E380 IonicContact NH1-OE1 2.75Å; R377-E380 IonicContact NH1-OE2 2.72Å; R377-E380 PolarHBondContact NH1-OE2 3.43Å; R377-A381 WeakPolarHBondContact O-CB 3.47Å; R377-A381 PolarHBondContact O-N 2.95Å |
| 378 | L | 95.5 | Very high | 95.8 | Very high | 99 Ų | 99 | 103.3 Ų | 103.3 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 174 | -179.3 | 61.8 | 0 | 0 | 0 | 111.2 | I374 E376 A381 E382 | I374-L378 WeakPolarHBondContact O-CB 3.44Å; I374-L378 PolarHBondContact O-N 3.4Å; E376-L378 VanDerWaalsContact C-N 3.27Å; E376-L378 PolarHBondContact O-N 2.86Å; L378-A381 PolarHBondContact O-N 2.87Å; L378-E382 WeakPolarHBondContact O-CG 3.26Å; L378-E382 PolarHBondContact O-N 3.38Å |
| 379 | R | 96.9 | Very high | 95.7 | Very high | 149 Ų | 149 | 104.6 Ų | 104.6 | 56% | 0.562 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 175.4 | -77 | -175.8 | 173.7 | 97.8 | -1.8 | 112.8 | Q375 E376 A381 E382 L383 | Q375-R379 WeakPolarHBondContact O-CG 3.45Å; Q375-R379 PolarHBondContact O-N 3.09Å; E376-R379 PolarHBondContact O-N 2.91Å; E376-R379 VanDerWaalsContact O-N 3.08Å; R379-A381 VanDerWaalsContact C-N 3.34Å; R379-E382 PolarHBondContact O-N 2.85Å; R379-L383 VanDerWaalsContact O-CB 3.31Å; R379-L383 WeakPolarHBondContact O-CB 3.47Å; R379-L383 WeakPolarHBondContact O-CG 3.31Å; R379-L383 PolarHBondContact O-N 3.34Å |
| 380 | E | 96.7 | Very high | 95.7 | Very high | 90 Ų | 90 | 102.5 Ų | 102.5 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59 | -46 | 173.2 | -73.8 | -175.8 | 142.4 | 0 | 0 | 111.5 | E376 R377 L383 S384 | E376-E380 PolarHBondContact O-N 3.47Å; R377-E380 WeakPolarHBondContact CD-OE2 3.37Å; R377-E380 IonicContact CZ-OE2 3.99Å; R377-E380 IonicContact NE-OE2 3.13Å; R377-E380 IonicContact NH1-OE1 2.75Å; R377-E380 IonicContact NH1-OE2 2.72Å; R377-E380 PolarHBondContact NH1-OE2 3.43Å; E380-L383 CarbonylContact O-C 3.59Å; E380-L383 PolarHBondContact O-N 2.84Å; E380-S384 PolarHBondContact O-N 3.44Å |
| 381 | A | 93.6 | Very high | 95.7 | Very high | 48 Ų | 48 | 102.7 Ų | 102.7 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R377 L378 R379 L383 S384 V385 | R377-A381 WeakPolarHBondContact O-CB 3.47Å; R377-A381 PolarHBondContact O-N 2.95Å; L378-A381 PolarHBondContact O-N 2.87Å; R379-A381 VanDerWaalsContact C-N 3.34Å; A381-L383 VanDerWaalsContact C-N 3.28Å; A381-L383 PolarHBondContact O-N 3.43Å; A381-S384 WeakPolarHBondContact CA-OG 3.36Å; A381-S384 PolarHBondContact O-N 3.06Å; A381-S384 PolarHBondContact O-OG 3.19Å; A381-V385 WeakPolarHBondContact O-CB 3.39Å; A381-V385 WeakPolarHBondContact O-CG2 3.45Å; A381-V385 PolarHBondContact O-N 3.26Å |
| 382 | E | 96.4 | Very high | 95.7 | Very high | 93 Ų | 93 | 105.4 Ų | 105.4 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 172.3 | -75.4 | 179.5 | -166.8 | 0 | 0 | 111.5 | L378 R379 R386 | L378-E382 WeakPolarHBondContact O-CG 3.26Å; L378-E382 PolarHBondContact O-N 3.38Å; R379-E382 PolarHBondContact O-N 2.85Å; E382-R386 WeakPolarHBondContact O-CB 3.31Å; E382-R386 VanDerWaalsContact O-CG 3.3Å; E382-R386 WeakPolarHBondContact O-CG 3.45Å; E382-R386 PolarHBondContact O-N 2.89Å |
| 383 | L | 97.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 106.3 Ų | 106.3 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.7 | -31.5 | 176.9 | -71.3 | 171.3 | 0 | 0 | 0 | 112.8 | R379 E380 A381 R387 | R379-L383 VanDerWaalsContact O-CB 3.31Å; R379-L383 WeakPolarHBondContact O-CB 3.47Å; R379-L383 WeakPolarHBondContact O-CG 3.31Å; R379-L383 PolarHBondContact O-N 3.34Å; E380-L383 CarbonylContact O-C 3.59Å; E380-L383 PolarHBondContact O-N 2.84Å; A381-L383 VanDerWaalsContact C-N 3.28Å; A381-L383 PolarHBondContact O-N 3.43Å; L383-R387 VanDerWaalsContact C-NH1 3.29Å; L383-R387 VanDerWaalsContact O-CG 3.26Å; L383-R387 WeakPolarHBondContact O-CG 3.38Å; L383-R387 PolarHBondContact O-N 2.91Å; L383-R387 VanDerWaalsContact O-N 3.15Å; L383-R387 PolarHBondContact O-NH1 3.02Å; L383-R387 VanDerWaalsContact O-NH1 3.16Å |
| 384 | S | 95.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 106.1 Ų | 106.1 | 43% | 0.427 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.7 | -45.6 | 172.7 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | E380 A381 R386 R387 E388 | E380-S384 PolarHBondContact O-N 3.44Å; A381-S384 WeakPolarHBondContact CA-OG 3.36Å; A381-S384 PolarHBondContact O-N 3.06Å; A381-S384 PolarHBondContact O-OG 3.19Å; S384-R386 VanDerWaalsContact C-N 3.33Å; S384-R386 PolarHBondContact O-N 3.43Å; S384-R387 PolarHBondContact O-N 3.44Å; S384-E388 PolarHBondContact O-N 2.9Å |
| 385 | V | 94.5 | Very high | 95.7 | Very high | 70 Ų | 70 | 104.4 Ų | 104.4 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | A381 E388 Q389 | A381-V385 WeakPolarHBondContact O-CB 3.39Å; A381-V385 WeakPolarHBondContact O-CG2 3.45Å; A381-V385 PolarHBondContact O-N 3.26Å; V385-E388 PolarHBondContact O-N 3.32Å; V385-Q389 HydrophobicContact CG1-CG 4.41Å; V385-Q389 WeakPolarHBondContact O-CB 3.46Å; V385-Q389 VanDerWaalsContact O-CG 3.31Å; V385-Q389 WeakPolarHBondContact O-CG 3.41Å; V385-Q389 PolarHBondContact O-N 2.9Å |
| 386 | R | 96.7 | Very high | 95.5 | Very high | 155 Ų | 155 | 105.9 Ų | 105.9 | 59% | 0.585 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.6 | -46.5 | 173.8 | -76.2 | 178 | -171.3 | -143.3 | 6 | 112.5 | E382 S384 E388 Q389 D390 | E382-R386 WeakPolarHBondContact O-CB 3.31Å; E382-R386 VanDerWaalsContact O-CG 3.3Å; E382-R386 WeakPolarHBondContact O-CG 3.45Å; E382-R386 PolarHBondContact O-N 2.89Å; S384-R386 VanDerWaalsContact C-N 3.33Å; S384-R386 PolarHBondContact O-N 3.43Å; R386-E388 VanDerWaalsContact C-N 3.28Å; R386-E388 PolarHBondContact O-N 2.94Å; R386-Q389 PolarHBondContact O-N 3.01Å; R386-D390 PolarHBondContact O-N 3.42Å |
| 387 | R | 95.6 | Very high | 95.5 | Very high | 162 Ų | 162 | 103.4 Ų | 103.4 | 61% | 0.611 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.9 | -39.5 | 176.1 | -71.1 | 174.8 | -164.8 | 109.8 | -9.5 | 111.6 | L383 S384 S391 | L383-R387 VanDerWaalsContact C-NH1 3.29Å; L383-R387 VanDerWaalsContact O-CG 3.26Å; L383-R387 WeakPolarHBondContact O-CG 3.38Å; L383-R387 PolarHBondContact O-N 2.91Å; L383-R387 VanDerWaalsContact O-N 3.15Å; L383-R387 PolarHBondContact O-NH1 3.02Å; L383-R387 VanDerWaalsContact O-NH1 3.16Å; S384-R387 PolarHBondContact O-N 3.44Å; R387-S391 WeakPolarHBondContact O-CB 3.2Å; R387-S391 PolarHBondContact O-N 2.96Å |
| 388 | E | 93.1 | Very high | 95.5 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 177 | -153.1 | -169.8 | 154.8 | 0 | 0 | 111.3 | S384 V385 R386 D390 S391 Y392 | S384-E388 PolarHBondContact O-N 2.9Å; V385-E388 PolarHBondContact O-N 3.32Å; R386-E388 VanDerWaalsContact C-N 3.28Å; R386-E388 PolarHBondContact O-N 2.94Å; E388-D390 VanDerWaalsContact C-N 3.34Å; E388-D390 PolarHBondContact O-N 3.4Å; E388-S391 PolarHBondContact O-N 3.29Å; E388-S391 VanDerWaalsContact O-N 3.16Å; E388-S391 PolarHBondContact O-OG 2.92Å; E388-Y392 HydrophobicContact CG-CD2 4.16Å; E388-Y392 HydrophobicContact CG-CE2 3.59Å; E388-Y392 WeakPolarHBondContact O-CD2 3.45Å; E388-Y392 PolarHBondContact O-N 3.39Å; E388-Y392 WeakPolarHBondContact OE1-CE2 3.5Å; E388-Y392 PolarHBondContact OE1-OH 2.87Å |
| 389 | Q | 95.1 | Very high | 95.4 | Very high | 99 Ų | 99 | 102.5 Ų | 102.5 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 174.3 | -75.3 | 177.7 | 6.1 | 0 | 0 | 112.8 | V385 R386 Y392 R393 | V385-Q389 HydrophobicContact CG1-CG 4.41Å; V385-Q389 WeakPolarHBondContact O-CB 3.46Å; V385-Q389 VanDerWaalsContact O-CG 3.31Å; V385-Q389 WeakPolarHBondContact O-CG 3.41Å; V385-Q389 PolarHBondContact O-N 2.9Å; R386-Q389 PolarHBondContact O-N 3.01Å; Q389-Y392 PolarHBondContact O-N 3.25Å; Q389-R393 WeakPolarHBondContact O-CG 3.28Å; Q389-R393 PolarHBondContact O-N 2.93Å |
| 390 | D | 96 | Very high | 95.3 | Very high | 71 Ų | 71 | 98.2 Ų | 98.2 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.1 | -31.3 | 177.8 | -69.7 | -30.3 | 0 | 0 | 0 | 111.9 | R386 E388 R393 Q394 | R386-D390 PolarHBondContact O-N 3.42Å; E388-D390 VanDerWaalsContact C-N 3.34Å; E388-D390 PolarHBondContact O-N 3.4Å; D390-R393 PolarHBondContact O-N 3.05Å; D390-R393 IonicContact OD1-CZ 3.67Å; D390-R393 IonicContact OD1-NH1 3.49Å; D390-R393 PolarHBondContact OD1-NH1 3.01Å; D390-Q394 VanDerWaalsContact O-CG 3.29Å; D390-Q394 WeakPolarHBondContact O-CG 3.43Å; D390-Q394 PolarHBondContact O-N 3.45Å |
| 391 | S | 95.8 | Very high | 95.3 | Very high | 50 Ų | 50 | 98.3 Ų | 98.3 | 35% | 0.35 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 170.2 | 77.7 | 0 | 0 | 0 | 0 | 112.6 | R387 E388 R393 Q394 M395 | R387-S391 WeakPolarHBondContact O-CB 3.2Å; R387-S391 PolarHBondContact O-N 2.96Å; E388-S391 PolarHBondContact O-N 3.29Å; E388-S391 VanDerWaalsContact O-N 3.16Å; E388-S391 PolarHBondContact O-OG 2.92Å; S391-R393 VanDerWaalsContact C-N 3.33Å; S391-R393 PolarHBondContact O-N 3.48Å; S391-Q394 PolarHBondContact O-N 2.87Å; S391-M395 WeakPolarHBondContact O-CG 3.3Å; S391-M395 PolarHBondContact O-N 3.34Å |
| 392 | Y | 94 | Very high | 95.4 | Very high | 133 Ų | 133 | 102 Ų | 102 | 52% | 0.522 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 172.2 | -75 | -58.5 | 0 | 0 | 0 | 111.6 | E388 Q389 M395 Q396 | E388-Y392 HydrophobicContact CG-CD2 4.16Å; E388-Y392 HydrophobicContact CG-CE2 3.59Å; E388-Y392 WeakPolarHBondContact O-CD2 3.45Å; E388-Y392 PolarHBondContact O-N 3.39Å; E388-Y392 WeakPolarHBondContact OE1-CE2 3.5Å; E388-Y392 PolarHBondContact OE1-OH 2.87Å; Q389-Y392 PolarHBondContact O-N 3.25Å; Y392-M395 PolarHBondContact O-N 3.28Å; Y392-Q396 WeakPolarHBondContact O-CB 3.14Å; Y392-Q396 VanDerWaalsContact O-CG 3.27Å; Y392-Q396 WeakPolarHBondContact O-CG 3.47Å; Y392-Q396 PolarHBondContact O-N 3.26Å |
| 393 | R | 96.6 | Very high | 95.3 | Very high | 150 Ų | 150 | 102.4 Ų | 102.4 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.7 | -42.8 | 173.5 | -75.1 | 168.1 | 172.6 | 156.8 | -1.6 | 112.4 | Q389 D390 S391 Q396 S397 | Q389-R393 WeakPolarHBondContact O-CG 3.28Å; Q389-R393 PolarHBondContact O-N 2.93Å; D390-R393 PolarHBondContact O-N 3.05Å; D390-R393 IonicContact OD1-CZ 3.67Å; D390-R393 IonicContact OD1-NH1 3.49Å; D390-R393 PolarHBondContact OD1-NH1 3.01Å; S391-R393 VanDerWaalsContact C-N 3.33Å; S391-R393 PolarHBondContact O-N 3.48Å; R393-Q396 PolarHBondContact O-N 2.89Å; R393-S397 PolarHBondContact O-N 2.96Å |
| 394 | Q | 96.8 | Very high | 95.2 | Very high | 131 Ų | 131 | 99.9 Ų | 99.9 | 61% | 0.612 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.5 | -48.2 | 175.3 | -74.3 | 168.7 | 5.5 | 0 | 0 | 110.8 | D390 S391 Q396 S397 E398 | D390-Q394 VanDerWaalsContact O-CG 3.29Å; D390-Q394 WeakPolarHBondContact O-CG 3.43Å; D390-Q394 PolarHBondContact O-N 3.45Å; S391-Q394 PolarHBondContact O-N 2.87Å; Q394-Q396 PolarHBondContact O-N 2.91Å; Q394-S397 WeakPolarHBondContact O-CB 3.44Å; Q394-S397 PolarHBondContact O-N 3.26Å; Q394-E398 PolarHBondContact O-N 2.83Å |
| 395 | M | 94.6 | Very high | 95.3 | Very high | 76 Ų | 76 | 103.2 Ų | 103.2 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.1 | -42.2 | 175 | -70.2 | -59.8 | -57.3 | 0 | 0 | 112.4 | S391 Y392 E398 Y399 | S391-M395 WeakPolarHBondContact O-CG 3.3Å; S391-M395 PolarHBondContact O-N 3.34Å; Y392-M395 PolarHBondContact O-N 3.28Å; M395-E398 PolarHBondContact O-N 3Å; M395-Y399 HydrophobicContact CB-CE2 4.45Å; M395-Y399 HydrophobicContact CE-CE2 3.7Å; M395-Y399 WeakPolarHBondContact O-CD2 3.2Å; M395-Y399 PolarHBondContact O-N 3.46Å |
| 396 | Q | 93.1 | Very high | 95.3 | Very high | 135 Ų | 135 | 105 Ų | 105 | 63% | 0.631 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 175.1 | -77.7 | 175 | 0.8 | 0 | 0 | 112.2 | Y392 R393 Q394 Y399 A400 | Y392-Q396 WeakPolarHBondContact O-CB 3.14Å; Y392-Q396 VanDerWaalsContact O-CG 3.27Å; Y392-Q396 WeakPolarHBondContact O-CG 3.47Å; Y392-Q396 PolarHBondContact O-N 3.26Å; R393-Q396 PolarHBondContact O-N 2.89Å; Q394-Q396 PolarHBondContact O-N 2.91Å; Q396-Y399 PolarHBondContact O-N 3.15Å; Q396-A400 WeakPolarHBondContact O-CB 3.4Å; Q396-A400 PolarHBondContact O-N 3.07Å |
| 397 | S | 95.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 103.2 Ų | 103.2 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 173.5 | -164 | 0 | 0 | 0 | 0 | 111 | R393 Q394 Y399 A400 D401 | R393-S397 PolarHBondContact O-N 2.96Å; Q394-S397 WeakPolarHBondContact O-CB 3.44Å; Q394-S397 PolarHBondContact O-N 3.26Å; S397-Y399 VanDerWaalsContact C-N 3.33Å; S397-Y399 PolarHBondContact O-N 2.94Å; S397-A400 PolarHBondContact O-N 2.8Å; S397-A400 VanDerWaalsContact O-N 3.14Å; S397-D401 WeakPolarHBondContact O-CB 3.45Å; S397-D401 PolarHBondContact O-N 3.49Å |
| 398 | E | 96.7 | Very high | 95.2 | Very high | 86 Ų | 86 | 98.1 Ų | 98.1 | 40% | 0.402 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | 176.8 | -79.2 | -161.8 | -136 | 0 | 0 | 112.8 | Q394 M395 D401 R402 | Q394-E398 PolarHBondContact O-N 2.83Å; M395-E398 PolarHBondContact O-N 3Å; E398-D401 PolarHBondContact O-N 2.75Å; E398-R402 VanDerWaalsContact O-CB 3.31Å; E398-R402 WeakPolarHBondContact O-CB 3.24Å; E398-R402 WeakPolarHBondContact O-CD 3.33Å; E398-R402 WeakPolarHBondContact O-CG 3.45Å; E398-R402 PolarHBondContact O-N 2.74Å; E398-R402 IonicContact OE2-CZ 3.55Å; E398-R402 IonicContact OE2-NE 2.67Å; E398-R402 IonicContact OE2-NH2 3.6Å; E398-R402 PolarHBondContact OE2-NH2 2.91Å |
| 399 | Y | 92.4 | Very high | 95.3 | Very high | 146 Ų | 146 | 98.7 Ų | 98.7 | 57% | 0.573 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.5 | -39.2 | 174.7 | -77.1 | -59.3 | 0 | 0 | 0 | 112 | M395 Q396 S397 R402 L403 | M395-Y399 HydrophobicContact CB-CE2 4.45Å; M395-Y399 HydrophobicContact CE-CE2 3.7Å; M395-Y399 WeakPolarHBondContact O-CD2 3.2Å; M395-Y399 PolarHBondContact O-N 3.46Å; Q396-Y399 PolarHBondContact O-N 3.15Å; S397-Y399 VanDerWaalsContact C-N 3.33Å; S397-Y399 PolarHBondContact O-N 2.94Å; Y399-R402 PolarHBondContact O-N 2.83Å; Y399-L403 WeakPolarHBondContact O-CB 3.43Å; Y399-L403 PolarHBondContact O-N 2.84Å |
| 400 | A | 95.6 | Very high | 95.1 | Very high | 60 Ų | 60 | 102.7 Ų | 102.7 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q396 S397 R402 L403 G404 | Q396-A400 WeakPolarHBondContact O-CB 3.4Å; Q396-A400 PolarHBondContact O-N 3.07Å; S397-A400 PolarHBondContact O-N 2.8Å; S397-A400 VanDerWaalsContact O-N 3.14Å; A400-R402 PolarHBondContact O-N 3.33Å; A400-L403 PolarHBondContact O-N 3.4Å; A400-G404 PolarHBondContact O-N 3.39Å |
| 401 | D | 96.2 | Very high | 95.1 | Very high | 91 Ų | 91 | 104.9 Ų | 104.9 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 176.9 | -71.9 | -38.9 | 0 | 0 | 0 | 112.2 | S397 E398 K405 | S397-D401 WeakPolarHBondContact O-CB 3.45Å; S397-D401 PolarHBondContact O-N 3.49Å; E398-D401 PolarHBondContact O-N 2.75Å; D401-K405 WeakPolarHBondContact O-CD 3.35Å; D401-K405 VanDerWaalsContact O-CG 3.23Å; D401-K405 WeakPolarHBondContact O-CG 3.37Å; D401-K405 PolarHBondContact O-N 3.07Å; D401-K405 VanDerWaalsContact O-N 3.16Å |
| 402 | R | 95.8 | Very high | 95.1 | Very high | 127 Ų | 127 | 106.1 Ų | 106.1 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 173.3 | -70.3 | 165.2 | -165 | -147.9 | 9.9 | 111.3 | E398 Y399 A400 K405 L406 | E398-R402 VanDerWaalsContact O-CB 3.31Å; E398-R402 WeakPolarHBondContact O-CB 3.24Å; E398-R402 WeakPolarHBondContact O-CD 3.33Å; E398-R402 WeakPolarHBondContact O-CG 3.45Å; E398-R402 PolarHBondContact O-N 2.74Å; E398-R402 IonicContact OE2-CZ 3.55Å; E398-R402 IonicContact OE2-NE 2.67Å; E398-R402 IonicContact OE2-NH2 3.6Å; E398-R402 PolarHBondContact OE2-NH2 2.91Å; Y399-R402 PolarHBondContact O-N 2.83Å; A400-R402 PolarHBondContact O-N 3.33Å; R402-K405 PolarHBondContact O-N 2.74Å; R402-L406 WeakPolarHBondContact O-CG 3.36Å; R402-L406 PolarHBondContact O-N 3.3Å; R402-L406 VanDerWaalsContact O-N 3.07Å |
| 403 | L | 93.9 | Very high | 95.1 | Very high | 100 Ų | 100 | 105.3 Ų | 105.3 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 176 | -165.6 | 81.9 | 0 | 0 | 0 | 110.9 | Y399 A400 K405 L406 E407 | Y399-L403 WeakPolarHBondContact O-CB 3.43Å; Y399-L403 PolarHBondContact O-N 2.84Å; A400-L403 PolarHBondContact O-N 3.4Å; L403-K405 VanDerWaalsContact C-N 3.29Å; L403-K405 PolarHBondContact O-N 3.5Å; L403-L406 PolarHBondContact O-N 3.4Å; L403-L406 VanDerWaalsContact O-N 3.11Å; L403-E407 WeakPolarHBondContact O-CG 3.47Å; L403-E407 PolarHBondContact O-N 3.38Å |
| 404 | G | 96.3 | Very high | 95.1 | Very high | 35 Ų | 35 | 100.7 Ų | 100.7 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -33.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A400 A408 | A400-G404 PolarHBondContact O-N 3.39Å; G404-A408 WeakPolarHBondContact O-CB 3.17Å; G404-A408 PolarHBondContact O-N 2.86Å |
| 405 | K | 96.8 | Very high | 95 | Very high | 131 Ų | 131 | 99.4 Ų | 99.4 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.1 | -48.8 | 170.7 | -74.6 | 165.2 | -172.7 | 168.3 | 0 | 111.8 | D401 R402 L403 E407 A408 E409 | D401-K405 WeakPolarHBondContact O-CD 3.35Å; D401-K405 VanDerWaalsContact O-CG 3.23Å; D401-K405 WeakPolarHBondContact O-CG 3.37Å; D401-K405 PolarHBondContact O-N 3.07Å; D401-K405 VanDerWaalsContact O-N 3.16Å; R402-K405 PolarHBondContact O-N 2.74Å; L403-K405 VanDerWaalsContact C-N 3.29Å; L403-K405 PolarHBondContact O-N 3.5Å; K405-E407 VanDerWaalsContact C-N 3.29Å; K405-E407 PolarHBondContact O-N 2.82Å; K405-A408 PolarHBondContact O-N 2.92Å; K405-E409 WeakPolarHBondContact O-CB 3.5Å; K405-E409 WeakPolarHBondContact O-CG 3.4Å; K405-E409 PolarHBondContact O-N 2.87Å |
| 406 | L | 94.2 | Very high | 95.1 | Very high | 107 Ų | 107 | 100 Ų | 100 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.3 | -33.9 | 177.1 | -70.4 | 171.2 | 0 | 0 | 0 | 112.6 | R402 L403 R410 | R402-L406 WeakPolarHBondContact O-CG 3.36Å; R402-L406 PolarHBondContact O-N 3.3Å; R402-L406 VanDerWaalsContact O-N 3.07Å; L403-L406 PolarHBondContact O-N 3.4Å; L403-L406 VanDerWaalsContact O-N 3.11Å; L406-R410 VanDerWaalsContact O-CB 3.31Å; L406-R410 WeakPolarHBondContact O-CB 3.29Å; L406-R410 PolarHBondContact O-N 3.46Å |
| 407 | E | 95 | Very high | 95.1 | Very high | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.8 | -40.6 | 174.3 | -72.7 | -177.6 | 163.4 | 0 | 0 | 112.1 | L403 K405 R410 Q411 | L403-E407 WeakPolarHBondContact O-CG 3.47Å; L403-E407 PolarHBondContact O-N 3.38Å; K405-E407 VanDerWaalsContact C-N 3.29Å; K405-E407 PolarHBondContact O-N 2.82Å; E407-R410 PolarHBondContact O-N 3.28Å; E407-Q411 WeakPolarHBondContact O-CB 3.32Å; E407-Q411 PolarHBondContact O-N 2.85Å |
| 408 | A | 95.9 | Very high | 95.1 | Very high | 54 Ų | 54 | 97.8 Ų | 97.8 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G404 K405 Q411 T412 | G404-A408 WeakPolarHBondContact O-CB 3.17Å; G404-A408 PolarHBondContact O-N 2.86Å; K405-A408 PolarHBondContact O-N 2.92Å; A408-Q411 PolarHBondContact O-N 2.93Å; A408-T412 WeakPolarHBondContact O-CG2 3.35Å; A408-T412 PolarHBondContact O-N 3.33Å; A408-T412 PolarHBondContact O-OG1 3.48Å |
| 409 | E | 94.9 | Very high | 95.1 | Very high | 108 Ų | 108 | 95.2 Ų | 95.2 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 171 | -74.4 | 169.7 | -159.9 | 0 | 0 | 110.6 | K405 Q411 T412 L413 | K405-E409 WeakPolarHBondContact O-CB 3.5Å; K405-E409 WeakPolarHBondContact O-CG 3.4Å; K405-E409 PolarHBondContact O-N 2.87Å; E409-Q411 VanDerWaalsContact C-N 3.33Å; E409-Q411 PolarHBondContact O-N 3.01Å; E409-T412 WeakPolarHBondContact CA-OG1 3.34Å; E409-T412 PolarHBondContact O-N 2.85Å; E409-T412 PolarHBondContact O-OG1 3.25Å; E409-T412 VanDerWaalsContact O-OG1 3.07Å; E409-L413 WeakPolarHBondContact O-CB 3.27Å; E409-L413 VanDerWaalsContact O-CG 3.26Å; E409-L413 WeakPolarHBondContact O-CG 3.26Å; E409-L413 PolarHBondContact O-N 2.89Å |
| 410 | R | 91 | Very high | 95.1 | Very high | 183 Ų | 183 | 90.8 Ų | 90.8 | 69% | 0.691 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 175.3 | -158.2 | -164.3 | 81.8 | 167.3 | 5.4 | 112.4 | L406 E407 A414 | L406-R410 VanDerWaalsContact O-CB 3.31Å; L406-R410 WeakPolarHBondContact O-CB 3.29Å; L406-R410 PolarHBondContact O-N 3.46Å; E407-R410 PolarHBondContact O-N 3.28Å; R410-A414 WeakPolarHBondContact O-CB 3.46Å; R410-A414 PolarHBondContact O-N 3.48Å |
| 411 | Q | 95.6 | Very high | 95 | Very high | 118 Ų | 118 | 93.2 Ų | 93.2 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.1 | -48.3 | 176.9 | -179.8 | 173.5 | -21.6 | 0 | 0 | 111.2 | E407 A408 E409 L413 A414 E415 | E407-Q411 WeakPolarHBondContact O-CB 3.32Å; E407-Q411 PolarHBondContact O-N 2.85Å; A408-Q411 PolarHBondContact O-N 2.93Å; E409-Q411 VanDerWaalsContact C-N 3.33Å; E409-Q411 PolarHBondContact O-N 3.01Å; Q411-L413 VanDerWaalsContact C-N 3.3Å; Q411-L413 PolarHBondContact O-N 2.94Å; Q411-A414 WeakPolarHBondContact O-CB 3.24Å; Q411-A414 PolarHBondContact O-N 3.17Å; Q411-E415 HydrophobicContact CG-CG 4.41Å; Q411-E415 WeakPolarHBondContact CG-OE1 3.46Å; Q411-E415 PolarHBondContact NE2-OE1 2.85Å; Q411-E415 WeakPolarHBondContact O-CG 3.38Å; Q411-E415 PolarHBondContact O-N 3.09Å |
| 412 | T | 96.4 | Very high | 95 | Very high | 75 Ų | 75 | 97 Ų | 97 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -32.8 | 177.8 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | A408 E409 T416 | A408-T412 WeakPolarHBondContact O-CG2 3.35Å; A408-T412 PolarHBondContact O-N 3.33Å; A408-T412 PolarHBondContact O-OG1 3.48Å; E409-T412 WeakPolarHBondContact CA-OG1 3.34Å; E409-T412 PolarHBondContact O-N 2.85Å; E409-T412 PolarHBondContact O-OG1 3.25Å; E409-T412 VanDerWaalsContact O-OG1 3.07Å; T412-T416 WeakPolarHBondContact O-CB 3.28Å; T412-T416 WeakPolarHBondContact O-CG2 3.45Å; T412-T416 PolarHBondContact O-N 3.46Å; T412-T416 PolarHBondContact O-OG1 3.34Å |
| 413 | L | 94.6 | Very high | 95 | Very high | 117 Ų | 117 | 99.1 Ų | 99.1 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 169 | -72.8 | 171.8 | 0 | 0 | 0 | 112.4 | E409 Q411 T416 L417 | E409-L413 WeakPolarHBondContact O-CB 3.27Å; E409-L413 VanDerWaalsContact O-CG 3.26Å; E409-L413 WeakPolarHBondContact O-CG 3.26Å; E409-L413 PolarHBondContact O-N 2.89Å; Q411-L413 VanDerWaalsContact C-N 3.3Å; Q411-L413 PolarHBondContact O-N 2.94Å; L413-T416 WeakPolarHBondContact CA-OG1 3.4Å; L413-T416 PolarHBondContact O-OG1 3.22Å; L413-T416 VanDerWaalsContact O-OG1 3.13Å; L413-L417 WeakPolarHBondContact O-CB 3.47Å; L413-L417 PolarHBondContact O-N 3.07Å |
| 414 | A | 95.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 97.4 Ų | 97.4 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R410 Q411 T418 | R410-A414 WeakPolarHBondContact O-CB 3.46Å; R410-A414 PolarHBondContact O-N 3.48Å; Q411-A414 WeakPolarHBondContact O-CB 3.24Å; Q411-A414 PolarHBondContact O-N 3.17Å; A414-T418 WeakPolarHBondContact O-CB 3.3Å; A414-T418 WeakPolarHBondContact O-CG2 3.5Å; A414-T418 PolarHBondContact O-N 2.95Å; A414-T418 PolarHBondContact O-OG1 2.91Å |
| 415 | E | 95.8 | Very high | 94.9 | Very high | 104 Ų | 104 | 100.2 Ų | 100.2 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 175.6 | -72.7 | 174 | -169.8 | 0 | 0 | 111.8 | Q411 T418 A419 | Q411-E415 HydrophobicContact CG-CG 4.41Å; Q411-E415 WeakPolarHBondContact CG-OE1 3.46Å; Q411-E415 PolarHBondContact NE2-OE1 2.85Å; Q411-E415 WeakPolarHBondContact O-CG 3.38Å; Q411-E415 PolarHBondContact O-N 3.09Å; E415-T418 PolarHBondContact O-OG1 3.07Å; E415-A419 VanDerWaalsContact O-CB 3.24Å; E415-A419 WeakPolarHBondContact O-CB 3.42Å; E415-A419 PolarHBondContact O-N 3.11Å |
| 416 | T | 95.8 | Very high | 94.8 | Very high | 88 Ų | 88 | 98.4 Ų | 98.4 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73 | -36.8 | 175.7 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | T412 L413 A419 A420 | T412-T416 WeakPolarHBondContact O-CB 3.28Å; T412-T416 WeakPolarHBondContact O-CG2 3.45Å; T412-T416 PolarHBondContact O-N 3.46Å; T412-T416 PolarHBondContact O-OG1 3.34Å; L413-T416 WeakPolarHBondContact CA-OG1 3.4Å; L413-T416 PolarHBondContact O-OG1 3.22Å; L413-T416 VanDerWaalsContact O-OG1 3.13Å; T416-A419 PolarHBondContact O-N 2.79Å; T416-A420 WeakPolarHBondContact O-CB 3.38Å; T416-A420 PolarHBondContact O-N 3.38Å |
| 417 | L | 94.3 | Very high | 94.8 | Very high | 99 Ų | 99 | 98.1 Ų | 98.1 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -51.5 | 173.6 | -170.6 | 161.2 | 0 | 0 | 0 | 110.8 | L413 A419 A420 E421 | L413-L417 WeakPolarHBondContact O-CB 3.47Å; L413-L417 PolarHBondContact O-N 3.07Å; L417-A419 VanDerWaalsContact C-N 3.27Å; L417-A419 PolarHBondContact O-N 3.22Å; L417-A420 CarbonylContact O-C 3.5Å; L417-A420 WeakPolarHBondContact O-CA 3.25Å; L417-A420 WeakPolarHBondContact O-CB 3.47Å; L417-A420 PolarHBondContact O-N 2.94Å; L417-E421 VanDerWaalsContact CD2-CD 3.47Å; L417-E421 HydrophobicContact CD2-CG 3.92Å; L417-E421 WeakPolarHBondContact CD2-OE1 3.39Å; L417-E421 PolarHBondContact O-N 3.46Å |
| 418 | T | 95.4 | Very high | 94.8 | Very high | 53 Ų | 53 | 99.1 Ų | 99.1 | 33% | 0.325 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -27.4 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | A414 E415 R422 | A414-T418 WeakPolarHBondContact O-CB 3.3Å; A414-T418 WeakPolarHBondContact O-CG2 3.5Å; A414-T418 PolarHBondContact O-N 2.95Å; A414-T418 PolarHBondContact O-OG1 2.91Å; E415-T418 PolarHBondContact O-OG1 3.07Å; T418-R422 VanDerWaalsContact O-CG 3.29Å; T418-R422 WeakPolarHBondContact O-CG 3.17Å; T418-R422 PolarHBondContact O-N 3.4Å |
| 419 | A | 95.2 | Very high | 94.8 | Very high | 33 Ų | 33 | 100.2 Ų | 100.2 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.7 | -34.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E415 T416 L417 R423 | E415-A419 VanDerWaalsContact O-CB 3.24Å; E415-A419 WeakPolarHBondContact O-CB 3.42Å; E415-A419 PolarHBondContact O-N 3.11Å; T416-A419 PolarHBondContact O-N 2.79Å; L417-A419 VanDerWaalsContact C-N 3.27Å; L417-A419 PolarHBondContact O-N 3.22Å; A419-R423 WeakPolarHBondContact O-CG 3.35Å; A419-R423 PolarHBondContact O-N 2.88Å |
| 420 | A | 93.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 100.7 Ų | 100.7 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.5 | -41.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T416 L417 R422 R423 A424 | T416-A420 WeakPolarHBondContact O-CB 3.38Å; T416-A420 PolarHBondContact O-N 3.38Å; L417-A420 CarbonylContact O-C 3.5Å; L417-A420 WeakPolarHBondContact O-CA 3.25Å; L417-A420 WeakPolarHBondContact O-CB 3.47Å; L417-A420 PolarHBondContact O-N 2.94Å; A420-R422 PolarHBondContact O-N 3.38Å; A420-R423 PolarHBondContact O-N 2.86Å; A420-A424 WeakPolarHBondContact O-CB 3.38Å; A420-A424 PolarHBondContact O-N 3.33Å |
| 421 | E | 93.1 | Very high | 95 | Very high | 110 Ų | 110 | 95.5 Ų | 95.5 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 173.5 | -72.4 | 176.4 | 147.2 | 0 | 0 | 111.8 | L417 R423 A424 V425 | L417-E421 VanDerWaalsContact CD2-CD 3.47Å; L417-E421 HydrophobicContact CD2-CG 3.92Å; L417-E421 WeakPolarHBondContact CD2-OE1 3.39Å; L417-E421 PolarHBondContact O-N 3.46Å; E421-R423 PolarHBondContact O-N 3.35Å; E421-A424 PolarHBondContact O-N 2.93Å; E421-V425 WeakPolarHBondContact O-CG2 3.41Å; E421-V425 PolarHBondContact O-N 2.92Å |
| 422 | R | 95.8 | Very high | 95 | Very high | 170 Ų | 170 | 93.9 Ų | 93.9 | 64% | 0.642 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.1 | -46.1 | 176.3 | -72.7 | 170.7 | -167.8 | 160.1 | 8.3 | 111.8 | T418 A420 A424 V425 E426 | T418-R422 VanDerWaalsContact O-CG 3.29Å; T418-R422 WeakPolarHBondContact O-CG 3.17Å; T418-R422 PolarHBondContact O-N 3.4Å; A420-R422 PolarHBondContact O-N 3.38Å; R422-A424 PolarHBondContact O-N 2.89Å; R422-V425 PolarHBondContact O-N 3.26Å; R422-E426 WeakPolarHBondContact O-CG 3.42Å; R422-E426 PolarHBondContact O-N 2.78Å |
| 423 | R | 95.5 | Very high | 95 | Very high | 172 Ų | 172 | 94.4 Ų | 94.4 | 65% | 0.649 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 175.8 | -70.8 | 173 | -175.5 | 162.3 | 2.7 | 112.4 | A419 A420 E421 V425 E426 E427 | A419-R423 WeakPolarHBondContact O-CG 3.35Å; A419-R423 PolarHBondContact O-N 2.88Å; A420-R423 PolarHBondContact O-N 2.86Å; E421-R423 PolarHBondContact O-N 3.35Å; R423-V425 VanDerWaalsContact C-N 3.31Å; R423-V425 PolarHBondContact O-N 2.93Å; R423-E426 PolarHBondContact O-N 3.39Å; R423-E427 WeakPolarHBondContact O-CG 3.46Å; R423-E427 PolarHBondContact O-N 3.02Å |
| 424 | A | 93.4 | Very high | 95 | Very high | 64 Ų | 64 | 93.7 Ų | 93.7 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A420 E421 R422 K428 | A420-A424 WeakPolarHBondContact O-CB 3.38Å; A420-A424 PolarHBondContact O-N 3.33Å; E421-A424 PolarHBondContact O-N 2.93Å; R422-A424 PolarHBondContact O-N 2.89Å; A424-K428 WeakPolarHBondContact O-CB 3.46Å; A424-K428 PolarHBondContact O-N 3.02Å |
| 425 | V | 95.9 | Very high | 95 | Very high | 94 Ų | 94 | 95 Ų | 95 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.1 | -43.7 | 172.2 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | E421 R422 R423 K428 V429 | E421-V425 WeakPolarHBondContact O-CG2 3.41Å; E421-V425 PolarHBondContact O-N 2.92Å; R422-V425 PolarHBondContact O-N 3.26Å; R423-V425 VanDerWaalsContact C-N 3.31Å; R423-V425 PolarHBondContact O-N 2.93Å; V425-K428 PolarHBondContact O-N 3.49Å; V425-V429 WeakPolarHBondContact O-CG2 3.33Å; V425-V429 PolarHBondContact O-N 2.88Å |
| 426 | E | 95.4 | Very high | 95 | Very high | 94 Ų | 94 | 96.6 Ų | 96.6 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 175.1 | -72.9 | 176.6 | -141.1 | 0 | 0 | 112.6 | R422 R423 K428 V429 R430 | R422-E426 WeakPolarHBondContact O-CG 3.42Å; R422-E426 PolarHBondContact O-N 2.78Å; R423-E426 PolarHBondContact O-N 3.39Å; E426-K428 VanDerWaalsContact C-N 3.35Å; E426-V429 PolarHBondContact O-N 3.2Å; E426-R430 WeakPolarHBondContact O-CG 3.32Å; E426-R430 PolarHBondContact O-N 3.03Å; E426-R430 IonicContact OE2-CZ 3.94Å; E426-R430 IonicContact OE2-NH1 2.75Å; E426-R430 IonicContact OE2-NH2 3.28Å; E426-R430 PolarHBondContact OE2-NH2 3.3Å |
| 427 | E | 93.6 | Very high | 95 | Very high | 101 Ų | 101 | 98 Ų | 98 | 47% | 0.472 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 176.2 | -72.2 | -54.1 | 125.9 | 0 | 0 | 111.8 | R423 V429 R430 V431 | R423-E427 WeakPolarHBondContact O-CG 3.46Å; R423-E427 PolarHBondContact O-N 3.02Å; E427-V429 VanDerWaalsContact C-N 3.34Å; E427-V429 PolarHBondContact O-N 2.96Å; E427-R430 PolarHBondContact O-N 2.94Å; E427-R430 WeakPolarHBondContact OE1-CD 3.33Å; E427-R430 IonicContact OE1-CZ 3.67Å; E427-R430 IonicContact OE1-NE 3.87Å; E427-R430 IonicContact OE1-NH1 3.8Å; E427-R430 PolarHBondContact OE1-NH1 2.69Å; E427-V431 WeakPolarHBondContact O-CG2 3.24Å; E427-V431 PolarHBondContact O-N 3.39Å |
| 428 | K | 95.4 | Very high | 94.9 | Very high | 138 Ų | 138 | 98 Ų | 98 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.7 | -45.3 | 172.4 | -175.7 | -177.7 | 174 | -175.4 | 0 | 111.4 | A424 V425 E426 R430 V431 D432 | A424-K428 WeakPolarHBondContact O-CB 3.46Å; A424-K428 PolarHBondContact O-N 3.02Å; V425-K428 PolarHBondContact O-N 3.49Å; E426-K428 VanDerWaalsContact C-N 3.35Å; K428-R430 VanDerWaalsContact C-N 3.34Å; K428-R430 PolarHBondContact O-N 2.76Å; K428-V431 PolarHBondContact O-N 2.9Å; K428-V431 VanDerWaalsContact O-N 3.16Å; K428-D432 PolarHBondContact O-N 3Å |
| 429 | V | 96.1 | Very high | 94.9 | Very high | 78 Ų | 78 | 102.4 Ų | 102.4 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 111 | V425 E426 E427 V431 D432 D433 | V425-V429 WeakPolarHBondContact O-CG2 3.33Å; V425-V429 PolarHBondContact O-N 2.88Å; E426-V429 PolarHBondContact O-N 3.2Å; E427-V429 VanDerWaalsContact C-N 3.34Å; E427-V429 PolarHBondContact O-N 2.96Å; V429-V431 VanDerWaalsContact C-N 3.32Å; V429-V431 PolarHBondContact O-N 3.07Å; V429-D432 PolarHBondContact O-N 3.21Å; V429-D433 WeakPolarHBondContact O-CB 3.33Å; V429-D433 PolarHBondContact O-N 2.87Å |
| 430 | R | 95.9 | Very high | 94.9 | Very high | 117 Ų | 117 | 104.4 Ų | 104.4 | 44% | 0.442 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 173.6 | -70.3 | 176.5 | -178 | 107.5 | 19 | 112.5 | E426 E427 K428 L434 | E426-R430 WeakPolarHBondContact O-CG 3.32Å; E426-R430 PolarHBondContact O-N 3.03Å; E426-R430 IonicContact OE2-CZ 3.94Å; E426-R430 IonicContact OE2-NH1 2.75Å; E426-R430 IonicContact OE2-NH2 3.28Å; E426-R430 PolarHBondContact OE2-NH2 3.3Å; E427-R430 PolarHBondContact O-N 2.94Å; E427-R430 WeakPolarHBondContact OE1-CD 3.33Å; E427-R430 IonicContact OE1-CZ 3.67Å; E427-R430 IonicContact OE1-NE 3.87Å; E427-R430 IonicContact OE1-NH1 3.8Å; E427-R430 PolarHBondContact OE1-NH1 2.69Å; K428-R430 VanDerWaalsContact C-N 3.34Å; K428-R430 PolarHBondContact O-N 2.76Å; R430-L434 WeakPolarHBondContact O-CB 3.33Å; R430-L434 VanDerWaalsContact O-CG 3.24Å; R430-L434 WeakPolarHBondContact O-CG 3.49Å; R430-L434 PolarHBondContact O-N 2.88Å |
| 431 | V | 94.2 | Very high | 94.9 | Very high | 75 Ų | 75 | 104.7 Ų | 104.7 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 176 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | E427 K428 V429 L434 L435 | E427-V431 WeakPolarHBondContact O-CG2 3.24Å; E427-V431 PolarHBondContact O-N 3.39Å; K428-V431 PolarHBondContact O-N 2.9Å; K428-V431 VanDerWaalsContact O-N 3.16Å; V429-V431 VanDerWaalsContact C-N 3.32Å; V429-V431 PolarHBondContact O-N 3.07Å; V431-L434 PolarHBondContact O-N 3.2Å; V431-L435 HydrophobicContact CG1-CD1 3.89Å; V431-L435 HydrophobicContact CG1-CG 4.32Å; V431-L435 WeakPolarHBondContact O-CB 3.34Å; V431-L435 VanDerWaalsContact O-CG 3.25Å; V431-L435 WeakPolarHBondContact O-CG 3.49Å; V431-L435 PolarHBondContact O-N 3.32Å |
| 432 | D | 95.2 | Very high | 95 | Very high | 84 Ų | 84 | 105.5 Ų | 105.5 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 177 | -75.6 | -36.4 | 0 | 0 | 0 | 111.5 | K428 V429 L435 Q436 | K428-D432 PolarHBondContact O-N 3Å; V429-D432 PolarHBondContact O-N 3.21Å; D432-L435 PolarHBondContact O-N 3.36Å; D432-Q436 PolarHBondContact O-N 3.3Å |
| 433 | D | 95.6 | Very high | 94.9 | Very high | 85 Ų | 85 | 100 Ų | 100 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 172.5 | -82.4 | -24 | 0 | 0 | 0 | 112.2 | V429 Q436 Q437 | V429-D433 WeakPolarHBondContact O-CB 3.33Å; V429-D433 PolarHBondContact O-N 2.87Å; D433-Q436 WeakPolarHBondContact O-CB 3.48Å; D433-Q436 PolarHBondContact O-N 2.92Å; D433-Q437 WeakPolarHBondContact O-CG 3.23Å; D433-Q437 PolarHBondContact O-N 3.23Å |
| 434 | L | 94.4 | Very high | 94.9 | Very high | 102 Ų | 102 | 94.8 Ų | 94.8 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -38.4 | 177.8 | -74.6 | 170.5 | 0 | 0 | 0 | 111.7 | R430 V431 Q436 Q437 V438 | R430-L434 WeakPolarHBondContact O-CB 3.33Å; R430-L434 VanDerWaalsContact O-CG 3.24Å; R430-L434 WeakPolarHBondContact O-CG 3.49Å; R430-L434 PolarHBondContact O-N 2.88Å; V431-L434 PolarHBondContact O-N 3.2Å; L434-Q436 VanDerWaalsContact C-N 3.31Å; L434-Q436 PolarHBondContact O-N 3.47Å; L434-Q437 PolarHBondContact O-N 3.41Å; L434-V438 WeakPolarHBondContact O-CG2 3.46Å; L434-V438 PolarHBondContact O-N 3.37Å |
| 435 | L | 95.7 | Very high | 94.8 | Very high | 81 Ų | 81 | 94.1 Ų | 94.1 | 42% | 0.424 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -35.6 | 173 | -74.3 | 171.4 | 0 | 0 | 0 | 111.7 | V431 D432 K439 | V431-L435 HydrophobicContact CG1-CD1 3.89Å; V431-L435 HydrophobicContact CG1-CG 4.32Å; V431-L435 WeakPolarHBondContact O-CB 3.34Å; V431-L435 VanDerWaalsContact O-CG 3.25Å; V431-L435 WeakPolarHBondContact O-CG 3.49Å; V431-L435 PolarHBondContact O-N 3.32Å; D432-L435 PolarHBondContact O-N 3.36Å; L435-K439 WeakPolarHBondContact O-CB 3.42Å; L435-K439 WeakPolarHBondContact O-CD 3.44Å; L435-K439 WeakPolarHBondContact O-CG 3.35Å; L435-K439 PolarHBondContact O-N 3.03Å |
| 436 | Q | 95.5 | Very high | 94.7 | Very high | 137 Ų | 137 | 94.3 Ų | 94.3 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.5 | -40.6 | 173 | -177.5 | 166.1 | -33.9 | 0 | 0 | 112.1 | D432 D433 L434 K439 S440 | D432-Q436 PolarHBondContact O-N 3.3Å; D433-Q436 WeakPolarHBondContact O-CB 3.48Å; D433-Q436 PolarHBondContact O-N 2.92Å; L434-Q436 VanDerWaalsContact C-N 3.31Å; L434-Q436 PolarHBondContact O-N 3.47Å; Q436-K439 PolarHBondContact O-N 3Å; Q436-S440 PolarHBondContact O-N 3.44Å; Q436-S440 PolarHBondContact O-OG 3.48Å |
| 437 | Q | 95 | Very high | 94.6 | Very high | 118 Ų | 118 | 92.7 Ų | 92.7 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 173.7 | -69.1 | 174 | 39.4 | 0 | 0 | 112.4 | D433 L434 S440 A441 | D433-Q437 WeakPolarHBondContact O-CG 3.23Å; D433-Q437 PolarHBondContact O-N 3.23Å; L434-Q437 PolarHBondContact O-N 3.41Å; Q437-S440 PolarHBondContact O-N 3.04Å; Q437-S440 PolarHBondContact O-OG 2.89Å; Q437-S440 VanDerWaalsContact O-OG 3.07Å; Q437-A441 VanDerWaalsContact O-CB 3.25Å; Q437-A441 WeakPolarHBondContact O-CB 3.35Å; Q437-A441 PolarHBondContact O-N 2.86Å |
| 438 | V | 93.3 | Very high | 94.5 | Very high | 98 Ų | 98 | 90.5 Ų | 90.5 | 59% | 0.594 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.6 | -39.4 | 175.4 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | L434 K442 | L434-V438 WeakPolarHBondContact O-CG2 3.46Å; L434-V438 PolarHBondContact O-N 3.37Å; V438-K442 VanDerWaalsContact O-CB 3.23Å; V438-K442 WeakPolarHBondContact O-CB 3.28Å; V438-K442 PolarHBondContact O-N 3.35Å |
| 439 | K | 95.9 | Very high | 94.4 | Very high | 146 Ų | 146 | 90.1 Ų | 90.1 | 64% | 0.635 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 174.7 | -75 | 164.6 | -173.4 | 170.2 | 0 | 112 | L435 Q436 K442 A443 | L435-K439 WeakPolarHBondContact O-CB 3.42Å; L435-K439 WeakPolarHBondContact O-CD 3.44Å; L435-K439 WeakPolarHBondContact O-CG 3.35Å; L435-K439 PolarHBondContact O-N 3.03Å; Q436-K439 PolarHBondContact O-N 3Å; K439-K442 PolarHBondContact O-N 3.29Å; K439-A443 WeakPolarHBondContact O-CB 3.46Å; K439-A443 PolarHBondContact O-N 3.13Å |
| 440 | S | 94.9 | Very high | 94.3 | Very high | 75 Ų | 75 | 91 Ų | 91 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.3 | -40.5 | 179.7 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | Q436 Q437 K442 A443 A444 | Q436-S440 PolarHBondContact O-N 3.44Å; Q436-S440 PolarHBondContact O-OG 3.48Å; Q437-S440 PolarHBondContact O-N 3.04Å; Q437-S440 PolarHBondContact O-OG 2.89Å; Q437-S440 VanDerWaalsContact O-OG 3.07Å; S440-K442 VanDerWaalsContact C-N 3.35Å; S440-K442 PolarHBondContact O-N 3Å; S440-A443 PolarHBondContact O-N 2.98Å; S440-A444 WeakPolarHBondContact O-CB 3.24Å; S440-A444 PolarHBondContact O-N 3.42Å |
| 441 | A | 93.6 | Very high | 94.2 | Very high | 60 Ų | 60 | 90 Ų | 90 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q437 A444 A445 | Q437-A441 VanDerWaalsContact O-CB 3.25Å; Q437-A441 WeakPolarHBondContact O-CB 3.35Å; Q437-A441 PolarHBondContact O-N 2.86Å; A441-A444 PolarHBondContact O-N 3.34Å; A441-A445 WeakPolarHBondContact O-CB 3.48Å; A441-A445 PolarHBondContact O-N 3.44Å |
| 442 | K | 94.8 | Very high | 94 | Very high | 126 Ų | 126 | 91 Ų | 91 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 173.7 | -178.7 | -179.6 | 168.8 | -175.7 | 0 | 111.5 | V438 K439 S440 A444 A445 E446 | V438-K442 VanDerWaalsContact O-CB 3.23Å; V438-K442 WeakPolarHBondContact O-CB 3.28Å; V438-K442 PolarHBondContact O-N 3.35Å; K439-K442 PolarHBondContact O-N 3.29Å; S440-K442 VanDerWaalsContact C-N 3.35Å; S440-K442 PolarHBondContact O-N 3Å; K442-A444 VanDerWaalsContact C-N 3.34Å; K442-A444 PolarHBondContact O-N 3.25Å; K442-A445 CarbonylContact O-C 3.57Å; K442-A445 PolarHBondContact O-N 3.09Å; K442-A445 VanDerWaalsContact O-N 3.17Å; K442-E446 WeakPolarHBondContact CE-OE1 3.22Å; K442-E446 IonicContact NZ-OE1 3.56Å; K442-E446 WeakPolarHBondContact O-CG 3.27Å; K442-E446 PolarHBondContact O-N 2.83Å |
| 443 | A | 94.5 | Very high | 93.9 | Very high | 56 Ų | 56 | 91.7 Ų | 91.7 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | K439 S440 E446 S447 | K439-A443 WeakPolarHBondContact O-CB 3.46Å; K439-A443 PolarHBondContact O-N 3.13Å; S440-A443 PolarHBondContact O-N 2.98Å; A443-E446 PolarHBondContact O-N 2.84Å; A443-S447 PolarHBondContact O-N 3.34Å |
| 444 | A | 94.3 | Very high | 93.7 | Very high | 61 Ų | 61 | 91.7 Ų | 91.7 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S440 A441 K442 E446 S447 A448 | S440-A444 WeakPolarHBondContact O-CB 3.24Å; S440-A444 PolarHBondContact O-N 3.42Å; A441-A444 PolarHBondContact O-N 3.34Å; K442-A444 VanDerWaalsContact C-N 3.34Å; K442-A444 PolarHBondContact O-N 3.25Å; A444-E446 VanDerWaalsContact C-N 3.3Å; A444-E446 PolarHBondContact O-N 3.45Å; A444-S447 PolarHBondContact O-N 3.37Å; A444-A448 WeakPolarHBondContact O-CB 3.47Å; A444-A448 PolarHBondContact O-N 3.33Å |
| 445 | A | 91.1 | Very high | 93.7 | Very high | 50 Ų | 50 | 94.5 Ų | 94.5 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -27.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | A441 K442 K449 | A441-A445 WeakPolarHBondContact O-CB 3.48Å; A441-A445 PolarHBondContact O-N 3.44Å; K442-A445 CarbonylContact O-C 3.57Å; K442-A445 PolarHBondContact O-N 3.09Å; K442-A445 VanDerWaalsContact O-N 3.17Å; A445-K449 WeakPolarHBondContact O-CD 3.41Å; A445-K449 VanDerWaalsContact O-CG 3.23Å; A445-K449 WeakPolarHBondContact O-CG 3.4Å; A445-K449 PolarHBondContact O-N 3.2Å |
| 446 | E | 93.9 | Very high | 93.5 | Very high | 98 Ų | 98 | 97 Ų | 97 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.7 | -39.6 | 173 | -74.8 | 172.1 | 169.7 | 0 | 0 | 111.5 | K442 A443 A444 K449 Q450 | K442-E446 WeakPolarHBondContact CE-OE1 3.22Å; K442-E446 IonicContact NZ-OE1 3.56Å; K442-E446 WeakPolarHBondContact O-CG 3.27Å; K442-E446 PolarHBondContact O-N 2.83Å; A443-E446 PolarHBondContact O-N 2.84Å; A444-E446 VanDerWaalsContact C-N 3.3Å; A444-E446 PolarHBondContact O-N 3.45Å; E446-K449 WeakPolarHBondContact O-CB 3.39Å; E446-K449 PolarHBondContact O-N 2.92Å; E446-Q450 PolarHBondContact O-N 3.19Å |
| 447 | S | 93.7 | Very high | 93.3 | Very high | 61 Ų | 61 | 96 Ų | 96 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.5 | -51.5 | 169 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | A443 A444 K449 Q450 E451 | A443-S447 PolarHBondContact O-N 3.34Å; A444-S447 PolarHBondContact O-N 3.37Å; S447-K449 PolarHBondContact O-N 3.07Å; S447-Q450 WeakPolarHBondContact O-CB 3.47Å; S447-Q450 PolarHBondContact O-N 2.89Å; S447-E451 WeakPolarHBondContact O-CG 3.23Å; S447-E451 PolarHBondContact O-N 2.93Å; S447-E451 PolarHBondContact OG-OE1 3.27Å |
| 448 | A | 92.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 97 Ų | 97 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -29.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A444 L452 | A444-A448 WeakPolarHBondContact O-CB 3.47Å; A444-A448 PolarHBondContact O-N 3.33Å; A448-L452 VanDerWaalsContact O-CB 3.31Å; A448-L452 WeakPolarHBondContact O-CB 3.37Å; A448-L452 PolarHBondContact O-N 3.48Å; A448-L452 VanDerWaalsContact O-N 3.09Å |
| 449 | K | 93 | Very high | 93 | Very high | 131 Ų | 131 | 94.7 Ų | 94.7 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71 | -42.7 | 170.9 | -78.4 | 169.7 | -176.3 | 176.4 | 0 | 112 | A445 E446 S447 L452 Q453 | A445-K449 WeakPolarHBondContact O-CD 3.41Å; A445-K449 VanDerWaalsContact O-CG 3.23Å; A445-K449 WeakPolarHBondContact O-CG 3.4Å; A445-K449 PolarHBondContact O-N 3.2Å; E446-K449 WeakPolarHBondContact O-CB 3.39Å; E446-K449 PolarHBondContact O-N 2.92Å; S447-K449 PolarHBondContact O-N 3.07Å; K449-L452 PolarHBondContact O-N 3.06Å; K449-Q453 WeakPolarHBondContact O-CG 3.15Å; K449-Q453 PolarHBondContact O-N 2.91Å |
| 450 | Q | 93.7 | Very high | 92.6 | Very high | 96 Ų | 96 | 90.1 Ų | 90.1 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 176.3 | -174.6 | 60.5 | 51.1 | 0 | 0 | 110.8 | E446 S447 L452 Q453 D454 | E446-Q450 PolarHBondContact O-N 3.19Å; S447-Q450 WeakPolarHBondContact O-CB 3.47Å; S447-Q450 PolarHBondContact O-N 2.89Å; Q450-L452 VanDerWaalsContact C-N 3.3Å; Q450-L452 PolarHBondContact O-N 3.48Å; Q450-Q453 CarbonylContact O-C 3.53Å; Q450-Q453 WeakPolarHBondContact O-CA 3.33Å; Q450-Q453 WeakPolarHBondContact O-CB 3.38Å; Q450-Q453 PolarHBondContact O-N 2.76Å; Q450-D454 PolarHBondContact NE2-OD1 3.09Å; Q450-D454 PolarHBondContact O-N 3.19Å |
| 451 | E | 92.8 | Very high | 92.4 | Very high | 96 Ų | 96 | 95.2 Ų | 95.2 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55.8 | -44.8 | 174.5 | -69.3 | 162.5 | -127.2 | 0 | 0 | 111.1 | S447 Q453 D454 Y455 | S447-E451 WeakPolarHBondContact O-CG 3.23Å; S447-E451 PolarHBondContact O-N 2.93Å; S447-E451 PolarHBondContact OG-OE1 3.27Å; E451-Q453 PolarHBondContact O-N 2.87Å; E451-D454 PolarHBondContact O-N 2.85Å; E451-Y455 WeakPolarHBondContact O-CB 3.26Å; E451-Y455 WeakPolarHBondContact O-CD2 3.25Å; E451-Y455 PolarHBondContact O-N 2.91Å |
| 452 | L | 90.9 | Very high | 92.1 | Very high | 95 Ų | 95 | 96.5 Ų | 96.5 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 175.5 | -179 | 62.1 | 0 | 0 | 0 | 113 | A448 K449 Q450 K456 | A448-L452 VanDerWaalsContact O-CB 3.31Å; A448-L452 WeakPolarHBondContact O-CB 3.37Å; A448-L452 PolarHBondContact O-N 3.48Å; A448-L452 VanDerWaalsContact O-N 3.09Å; K449-L452 PolarHBondContact O-N 3.06Å; Q450-L452 VanDerWaalsContact C-N 3.3Å; Q450-L452 PolarHBondContact O-N 3.48Å; L452-K456 WeakPolarHBondContact O-CB 3.48Å; L452-K456 VanDerWaalsContact O-CG 3.31Å; L452-K456 WeakPolarHBondContact O-CG 3.38Å; L452-K456 PolarHBondContact O-N 3.07Å |
| 453 | Q | 93.1 | Very high | 91.8 | Very high | 99 Ų | 99 | 95 Ų | 95 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 172 | -76 | -178.3 | -11.7 | 0 | 0 | 110.9 | K449 Q450 E451 Y455 K456 H457 | K449-Q453 WeakPolarHBondContact O-CG 3.15Å; K449-Q453 PolarHBondContact O-N 2.91Å; Q450-Q453 CarbonylContact O-C 3.53Å; Q450-Q453 WeakPolarHBondContact O-CA 3.33Å; Q450-Q453 WeakPolarHBondContact O-CB 3.38Å; Q450-Q453 PolarHBondContact O-N 2.76Å; E451-Q453 PolarHBondContact O-N 2.87Å; Q453-Y455 VanDerWaalsContact C-N 3.34Å; Q453-Y455 PolarHBondContact O-N 3.32Å; Q453-K456 CarbonylContact O-C 3.5Å; Q453-K456 WeakPolarHBondContact O-CA 3.49Å; Q453-K456 WeakPolarHBondContact O-CB 3.41Å; Q453-K456 PolarHBondContact O-N 3.48Å; Q453-H457 PolarHBondContact O-CD2 2.93Å; Q453-H457 PolarHBondContact O-N 3.11Å |
| 454 | D | 92.2 | Very high | 91.5 | Very high | 85 Ų | 85 | 97 Ų | 97 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 177.6 | -67 | -13.6 | 0 | 0 | 0 | 111.5 | Q450 E451 H457 K458 | Q450-D454 PolarHBondContact NE2-OD1 3.09Å; Q450-D454 PolarHBondContact O-N 3.19Å; E451-D454 PolarHBondContact O-N 2.85Å; D454-H457 PolarHBondContact O-N 3.33Å; D454-K458 WeakPolarHBondContact O-CB 3.43Å; D454-K458 PolarHBondContact O-N 3.27Å |
| 455 | Y | 92.6 | Very high | 90.9 | Very high | 162 Ų | 162 | 97.3 Ų | 97.3 | 64% | 0.635 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.3 | -43 | 170.5 | -80.7 | -62.8 | 0 | 0 | 0 | 112.1 | E451 Q453 K458 A459 | E451-Y455 WeakPolarHBondContact O-CB 3.26Å; E451-Y455 WeakPolarHBondContact O-CD2 3.25Å; E451-Y455 PolarHBondContact O-N 2.91Å; Q453-Y455 VanDerWaalsContact C-N 3.34Å; Q453-Y455 PolarHBondContact O-N 3.32Å; Y455-K458 PolarHBondContact O-N 2.86Å; Y455-A459 VanDerWaalsContact O-CB 3.27Å; Y455-A459 WeakPolarHBondContact O-CB 3.39Å; Y455-A459 PolarHBondContact O-N 2.9Å |
| 456 | K | 91.9 | Very high | 90.6 | Very high | 134 Ų | 134 | 101 Ų | 101 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 175.1 | -78.5 | 176.5 | 177.9 | -175.6 | 0 | 112.2 | L452 Q453 K458 A459 S460 | L452-K456 WeakPolarHBondContact O-CB 3.48Å; L452-K456 VanDerWaalsContact O-CG 3.31Å; L452-K456 WeakPolarHBondContact O-CG 3.38Å; L452-K456 PolarHBondContact O-N 3.07Å; Q453-K456 CarbonylContact O-C 3.5Å; Q453-K456 WeakPolarHBondContact O-CA 3.49Å; Q453-K456 WeakPolarHBondContact O-CB 3.41Å; Q453-K456 PolarHBondContact O-N 3.48Å; K456-K458 VanDerWaalsContact C-N 3.35Å; K456-A459 PolarHBondContact O-N 2.9Å; K456-S460 WeakPolarHBondContact O-CB 3.45Å; K456-S460 PolarHBondContact O-N 3.39Å |
| 457 | H | 92 | Very high | 90.2 | Very high | 114 Ų | 114 | 101 Ų | 101 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 176.7 | -69.1 | -56.9 | 0 | 0 | 0 | 111.7 | Q453 D454 R461 | Q453-H457 PolarHBondContact O-CD2 2.93Å; Q453-H457 PolarHBondContact O-N 3.11Å; D454-H457 PolarHBondContact O-N 3.33Å; H457-R461 VanDerWaalsContact O-CB 3.23Å; H457-R461 WeakPolarHBondContact O-CB 3.26Å; H457-R461 PolarHBondContact O-N 2.83Å |
| 458 | K | 92.1 | Very high | 89.8 | Confident | 140 Ų | 140 | 105.3 Ų | 105.3 | 61% | 0.609 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.2 | -44.6 | 174.9 | -167.7 | 173.3 | -171.3 | 173.6 | 0 | 111.6 | D454 Y455 K456 R461 I462 | D454-K458 WeakPolarHBondContact O-CB 3.43Å; D454-K458 PolarHBondContact O-N 3.27Å; Y455-K458 PolarHBondContact O-N 2.86Å; K456-K458 VanDerWaalsContact C-N 3.35Å; K458-R461 PolarHBondContact O-N 2.86Å; K458-I462 HydrophobicContact CG-CD1 4.29Å; K458-I462 WeakPolarHBondContact O-CB 3.39Å; K458-I462 WeakPolarHBondContact O-CD1 3.28Å; K458-I462 VanDerWaalsContact O-CG1 3.24Å; K458-I462 WeakPolarHBondContact O-CG1 3.4Å; K458-I462 PolarHBondContact O-N 3.25Å |
| 459 | A | 89.1 | Confident | 89.1 | Confident | 50 Ų | 50 | 107.6 Ų | 107.6 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y455 K456 I462 L463 | Y455-A459 VanDerWaalsContact O-CB 3.27Å; Y455-A459 WeakPolarHBondContact O-CB 3.39Å; Y455-A459 PolarHBondContact O-N 2.9Å; K456-A459 PolarHBondContact O-N 2.9Å; A459-I462 PolarHBondContact O-N 3.06Å; A459-L463 WeakPolarHBondContact O-CB 3.32Å; A459-L463 PolarHBondContact O-N 3.47Å |
| 460 | S | 88.1 | Confident | 88.3 | Confident | 49 Ų | 49 | 106.5 Ų | 106.5 | 34% | 0.343 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | K456 I462 L463 Q464 | K456-S460 WeakPolarHBondContact O-CB 3.45Å; K456-S460 PolarHBondContact O-N 3.39Å; S460-I462 VanDerWaalsContact C-N 3.31Å; S460-I462 PolarHBondContact O-N 3.43Å; S460-L463 WeakPolarHBondContact O-CB 3.45Å; S460-L463 PolarHBondContact O-N 3.42Å; S460-Q464 WeakPolarHBondContact O-CB 3.28Å; S460-Q464 WeakPolarHBondContact O-CG 3.43Å; S460-Q464 PolarHBondContact O-N 2.96Å |
| 461 | R | 91 | Very high | 87.4 | Confident | 182 Ų | 182 | 104.4 Ų | 104.4 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -36.6 | 174.8 | -170.5 | -180 | -63 | 171 | 1.8 | 112.3 | H457 K458 S465 | H457-R461 VanDerWaalsContact O-CB 3.23Å; H457-R461 WeakPolarHBondContact O-CB 3.26Å; H457-R461 PolarHBondContact O-N 2.83Å; K458-R461 PolarHBondContact O-N 2.86Å; R461-S465 WeakPolarHBondContact O-CB 3.38Å; R461-S465 PolarHBondContact O-N 3.06Å; R461-S465 PolarHBondContact O-OG 3.11Å |
| 462 | I | 87.9 | Confident | 86.3 | Confident | 87 Ų | 87 | 103 Ų | 103 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 174.8 | -70 | 164.1 | 0 | 0 | 0 | 111.2 | K458 A459 S460 S465 K466 | K458-I462 HydrophobicContact CG-CD1 4.29Å; K458-I462 WeakPolarHBondContact O-CB 3.39Å; K458-I462 WeakPolarHBondContact O-CD1 3.28Å; K458-I462 VanDerWaalsContact O-CG1 3.24Å; K458-I462 WeakPolarHBondContact O-CG1 3.4Å; K458-I462 PolarHBondContact O-N 3.25Å; A459-I462 PolarHBondContact O-N 3.06Å; S460-I462 VanDerWaalsContact C-N 3.31Å; S460-I462 PolarHBondContact O-N 3.43Å; I462-S465 WeakPolarHBondContact CA-OG 3.44Å; I462-S465 PolarHBondContact O-N 3.38Å; I462-S465 PolarHBondContact O-OG 3.13Å; I462-K466 HydrophobicContact CG2-CD 4.39Å; I462-K466 WeakPolarHBondContact O-CB 3.35Å; I462-K466 WeakPolarHBondContact O-CG 3.33Å; I462-K466 PolarHBondContact O-N 2.86Å |
| 463 | L | 87.8 | Confident | 85.1 | Confident | 96 Ų | 96 | 104.6 Ų | 104.6 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.4 | -56 | 172.3 | -85.4 | 160.4 | 0 | 0 | 0 | 110.4 | A459 S460 S465 K466 E467 | A459-L463 WeakPolarHBondContact O-CB 3.32Å; A459-L463 PolarHBondContact O-N 3.47Å; S460-L463 WeakPolarHBondContact O-CB 3.45Å; S460-L463 PolarHBondContact O-N 3.42Å; L463-S465 VanDerWaalsContact C-N 3.28Å; L463-S465 PolarHBondContact O-N 3.44Å; L463-K466 CarbonylContact O-C 3.5Å; L463-K466 WeakPolarHBondContact O-CA 3.27Å; L463-K466 WeakPolarHBondContact O-CB 3.37Å; L463-K466 PolarHBondContact O-N 3.04Å; L463-E467 WeakPolarHBondContact O-CB 3.36Å; L463-E467 WeakPolarHBondContact O-CG 3.49Å; L463-E467 PolarHBondContact O-N 3.31Å |
| 464 | Q | 87.9 | Confident | 83.8 | Confident | 98 Ų | 98 | 107.5 Ų | 107.5 | 46% | 0.458 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.4 | -35.3 | 176.5 | -72.6 | -179.2 | -4.1 | 0 | 0 | 113.2 | S460 K468 | S460-Q464 WeakPolarHBondContact O-CB 3.28Å; S460-Q464 WeakPolarHBondContact O-CG 3.43Å; S460-Q464 PolarHBondContact O-N 2.96Å; Q464-K468 VanDerWaalsContact O-CB 3.24Å; Q464-K468 WeakPolarHBondContact O-CB 3.45Å; Q464-K468 VanDerWaalsContact O-CG 3.23Å; Q464-K468 WeakPolarHBondContact O-CG 3.38Å; Q464-K468 PolarHBondContact O-N 3.1Å |
| 465 | S | 81.6 | Confident | 82.3 | Confident | 67 Ų | 67 | 110.2 Ų | 110.2 | 47% | 0.469 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.2 | -33.9 | 174.5 | 69.1 | 0 | 0 | 0 | 0 | 112.6 | R461 I462 L463 L469 | R461-S465 WeakPolarHBondContact O-CB 3.38Å; R461-S465 PolarHBondContact O-N 3.06Å; R461-S465 PolarHBondContact O-OG 3.11Å; I462-S465 WeakPolarHBondContact CA-OG 3.44Å; I462-S465 PolarHBondContact O-N 3.38Å; I462-S465 PolarHBondContact O-OG 3.13Å; L463-S465 VanDerWaalsContact C-N 3.28Å; L463-S465 PolarHBondContact O-N 3.44Å; S465-L469 WeakPolarHBondContact O-CB 3.47Å; S465-L469 PolarHBondContact O-N 2.86Å |
| 466 | K | 85.6 | Confident | 80.3 | Confident | 126 Ų | 126 | 106 Ų | 106 | 55% | 0.548 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.8 | -38.5 | 173.3 | -76.6 | -179.1 | 175.5 | -170.8 | 0 | 111.5 | I462 L463 L469 I470 | I462-K466 HydrophobicContact CG2-CD 4.39Å; I462-K466 WeakPolarHBondContact O-CB 3.35Å; I462-K466 WeakPolarHBondContact O-CG 3.33Å; I462-K466 PolarHBondContact O-N 2.86Å; L463-K466 CarbonylContact O-C 3.5Å; L463-K466 WeakPolarHBondContact O-CA 3.27Å; L463-K466 WeakPolarHBondContact O-CB 3.37Å; L463-K466 PolarHBondContact O-N 3.04Å; K466-L469 WeakPolarHBondContact O-CB 3.4Å; K466-L469 PolarHBondContact O-N 2.8Å; K466-I470 WeakPolarHBondContact O-CB 3.32Å; K466-I470 WeakPolarHBondContact O-CD1 3.5Å; K466-I470 WeakPolarHBondContact O-CG1 3.43Å; K466-I470 PolarHBondContact O-N 3.43Å |
| 467 | E | 85.8 | Confident | 78.4 | Confident | 100 Ų | 100 | 104.8 Ų | 104.8 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -43.2 | 174.4 | -72.8 | 164.2 | 176.6 | 0 | 0 | 110.6 | L463 L469 I470 S471 | L463-E467 WeakPolarHBondContact O-CB 3.36Å; L463-E467 WeakPolarHBondContact O-CG 3.49Å; L463-E467 PolarHBondContact O-N 3.31Å; E467-L469 VanDerWaalsContact C-N 3.31Å; E467-L469 PolarHBondContact O-N 2.79Å; E467-I470 PolarHBondContact O-N 2.93Å; E467-S471 VanDerWaalsContact O-CB 3.31Å; E467-S471 WeakPolarHBondContact O-CB 3.17Å; E467-S471 PolarHBondContact O-N 3.26Å; E467-S471 PolarHBondContact O-OG 2.64Å; E467-S471 VanDerWaalsContact O-OG 3.14Å |
| 468 | K | 84.2 | Confident | 76.4 | Confident | 151 Ų | 151 | 101.3 Ų | 101.3 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.6 | -33.3 | 171.1 | -75.3 | 174.6 | 178.2 | -178.8 | 0 | 112.6 | Q464 S472 | Q464-K468 VanDerWaalsContact O-CB 3.24Å; Q464-K468 WeakPolarHBondContact O-CB 3.45Å; Q464-K468 VanDerWaalsContact O-CG 3.23Å; Q464-K468 WeakPolarHBondContact O-CG 3.38Å; Q464-K468 PolarHBondContact O-N 3.1Å; K468-S472 VanDerWaalsContact O-CB 3.3Å; K468-S472 WeakPolarHBondContact O-CB 3.46Å; K468-S472 PolarHBondContact O-N 2.91Å; K468-S472 PolarHBondContact O-OG 3.49Å |
| 469 | L | 77.6 | Confident | 74.1 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 53% | 0.534 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.2 | -48.1 | 171.5 | -176.7 | 64.1 | 0 | 0 | 0 | 111.3 | S465 K466 E467 S471 S472 L473 | S465-L469 WeakPolarHBondContact O-CB 3.47Å; S465-L469 PolarHBondContact O-N 2.86Å; K466-L469 WeakPolarHBondContact O-CB 3.4Å; K466-L469 PolarHBondContact O-N 2.8Å; E467-L469 VanDerWaalsContact C-N 3.31Å; E467-L469 PolarHBondContact O-N 2.79Å; L469-S471 VanDerWaalsContact C-N 3.35Å; L469-S471 PolarHBondContact O-N 3.4Å; L469-S472 WeakPolarHBondContact CA-OG 3.09Å; L469-S472 PolarHBondContact O-N 3.35Å; L469-S472 PolarHBondContact O-OG 2.95Å; L469-L473 HydrophobicContact CD1-CD1 4.49Å; L469-L473 HydrophobicContact CG-CD1 4.2Å; L469-L473 WeakPolarHBondContact O-CB 3.32Å; L469-L473 VanDerWaalsContact O-CG 3.29Å; L469-L473 WeakPolarHBondContact O-CG 3.44Å; L469-L473 PolarHBondContact O-N 2.64Å |
| 470 | I | 75.8 | Confident | 71.9 | Confident | 107 Ų | 107 | 106.7 Ų | 106.7 | 55% | 0.549 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.3 | -43.4 | 175.6 | -70.3 | 161.2 | 0 | 0 | 0 | 110.9 | K466 E467 L473 K474 | K466-I470 WeakPolarHBondContact O-CB 3.32Å; K466-I470 WeakPolarHBondContact O-CD1 3.5Å; K466-I470 WeakPolarHBondContact O-CG1 3.43Å; K466-I470 PolarHBondContact O-N 3.43Å; E467-I470 PolarHBondContact O-N 2.93Å; I470-L473 PolarHBondContact O-N 3.13Å; I470-K474 VanDerWaalsContact O-CB 3.26Å; I470-K474 WeakPolarHBondContact O-CB 3.37Å; I470-K474 PolarHBondContact O-N 3.1Å |
| 471 | S | 76.1 | Confident | 70.1 | Confident | 53 Ų | 53 | 111.1 Ų | 111.1 | 37% | 0.371 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.2 | -47 | 173.9 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | E467 L469 L473 K474 E475 | E467-S471 VanDerWaalsContact O-CB 3.31Å; E467-S471 WeakPolarHBondContact O-CB 3.17Å; E467-S471 PolarHBondContact O-N 3.26Å; E467-S471 PolarHBondContact O-OG 2.64Å; E467-S471 VanDerWaalsContact O-OG 3.14Å; L469-S471 VanDerWaalsContact C-N 3.35Å; L469-S471 PolarHBondContact O-N 3.4Å; S471-L473 PolarHBondContact O-N 2.89Å; S471-L473 VanDerWaalsContact O-N 3.16Å; S471-K474 CarbonylContact O-C 3.6Å; S471-K474 WeakPolarHBondContact O-CA 3.46Å; S471-K474 PolarHBondContact O-N 2.75Å; S471-E475 WeakPolarHBondContact O-CA 3.46Å; S471-E475 WeakPolarHBondContact O-CB 3.32Å; S471-E475 PolarHBondContact O-N 3.35Å |
| 472 | S | 69.7 | Low | 67.9 | Low | 65 Ų | 65 | 105.8 Ų | 105.8 | 46% | 0.455 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.7 | -30.6 | 175.4 | 71.3 | 0 | 0 | 0 | 0 | 113.4 | K468 L469 G476 | K468-S472 VanDerWaalsContact O-CB 3.3Å; K468-S472 WeakPolarHBondContact O-CB 3.46Å; K468-S472 PolarHBondContact O-N 2.91Å; K468-S472 PolarHBondContact O-OG 3.49Å; L469-S472 WeakPolarHBondContact CA-OG 3.09Å; L469-S472 PolarHBondContact O-N 3.35Å; L469-S472 PolarHBondContact O-OG 2.95Å; S472-G476 WeakPolarHBondContact O-CA 3.24Å; S472-G476 PolarHBondContact O-N 3.39Å |
| 473 | L | 64.8 | Low | 66 | Low | 130 Ų | 130 | 108.7 Ų | 108.7 | 68% | 0.681 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -77.5 | -18.5 | 173.1 | -69.7 | 166.1 | 0 | 0 | 0 | 113.9 | L469 I470 S471 | L469-L473 HydrophobicContact CD1-CD1 4.49Å; L469-L473 HydrophobicContact CG-CD1 4.2Å; L469-L473 WeakPolarHBondContact O-CB 3.32Å; L469-L473 VanDerWaalsContact O-CG 3.29Å; L469-L473 WeakPolarHBondContact O-CG 3.44Å; L469-L473 PolarHBondContact O-N 2.64Å; I470-L473 PolarHBondContact O-N 3.13Å; S471-L473 PolarHBondContact O-N 2.89Å; S471-L473 VanDerWaalsContact O-N 3.16Å |
| 474 | K | 66.7 | Low | 64.4 | Low | 160 Ų | 160 | 106.5 Ų | 106.5 | 70% | 0.696 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -102.7 | -34.7 | -177.7 | -174.5 | -173 | 177.2 | -166.4 | 0 | 112.9 | I470 S471 S477 | I470-K474 VanDerWaalsContact O-CB 3.26Å; I470-K474 WeakPolarHBondContact O-CB 3.37Å; I470-K474 PolarHBondContact O-N 3.1Å; S471-K474 CarbonylContact O-C 3.6Å; S471-K474 WeakPolarHBondContact O-CA 3.46Å; S471-K474 PolarHBondContact O-N 2.75Å; K474-S477 CarbonylContact O-C 3.52Å; K474-S477 WeakPolarHBondContact O-CB 3.37Å; K474-S477 PolarHBondContact O-N 3.35Å |
| 475 | E | 59.5 | Low | 63 | Low | 141 Ų | 141 | 103.5 Ų | 103.5 | 66% | 0.659 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -89.7 | -27.1 | 179.8 | -164 | 166.7 | -119.6 | 0 | 0 | 110.4 | S471 S477 G478 | S471-E475 WeakPolarHBondContact O-CA 3.46Å; S471-E475 WeakPolarHBondContact O-CB 3.32Å; S471-E475 PolarHBondContact O-N 3.35Å; E475-S477 PolarHBondContact O-N 2.91Å; E475-G478 CarbonylContact O-C 3.45Å; E475-G478 PolarHBondContact O-N 2.97Å |
| 476 | G | 51.8 | Low | 62 | Low | 75 Ų | 75 | 102.4 Ų | 102.4 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -1.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S472 | S472-G476 WeakPolarHBondContact O-CA 3.24Å; S472-G476 PolarHBondContact O-N 3.39Å |
| 477 | S | 52.5 | Low | 61 | Low | 108 Ų | 108 | 100.8 Ų | 100.8 | 76% | 0.755 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | 13.9 | 168.2 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | K474 E475 | K474-S477 CarbonylContact O-C 3.52Å; K474-S477 WeakPolarHBondContact O-CB 3.37Å; K474-S477 PolarHBondContact O-N 3.35Å; E475-S477 PolarHBondContact O-N 2.91Å |
| 478 | G | 49.6 | Very low | 60.2 | Low | 40 Ų | 40 | 101.1 Ų | 101.1 | 41% | 0.412 | 62% | 0.618 | S | S | . | * | trans | -152.6 | 94.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E475 | E475-G478 CarbonylContact O-C 3.45Å; E475-G478 PolarHBondContact O-N 2.97Å | ||
| 479 | L | 43.2 | Very low | 59.8 | Low | 165 Ų | 165 | 96.9 Ų | 96.9 | 86% | 0.864 | 61% | 0.611 | S | S | * | * | trans | -49.4 | 145.9 | 151.9 | -139.8 | 70.4 | 0 | 0 | 0 | 108.3 | ||||
| 480 | D | 43.7 | Very low | 59.7 | Low | 139 Ų | 139 | 97.1 Ų | 97.1 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | cis | -160.9 | -175 | 41 | -156.2 | -7.3 | 0 | 0 | 0 | 112.8 | ||||
| 481 | V | 49.6 | Very low | 60 | Low | 141 Ų | 141 | 97 Ų | 97 | 86% | 0.855 | 61% | 0.61 | S | S | * | * | trans | -80.2 | 131.2 | -171.2 | 176.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 482 | G | 45.7 | Very low | 60.2 | Low | 70 Ų | 70 | 98.9 Ų | 98.9 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | trans | 125.2 | 117.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 483 | D | 47.6 | Very low | 60.8 | Low | 148 Ų | 148 | 101.7 Ų | 101.7 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | -168.9 | 148.3 | 108.6 | -178 | 34.6 | 0 | 0 | 0 | 110.7 | G485 | D483-G485 VanDerWaalsContact CG-N 3.26Å; D483-G485 PolarHBondContact OD1-N 3.44Å; D483-G485 WeakPolarHBondContact OD2-CA 3.49Å; D483-G485 PolarHBondContact OD2-N 2.89Å | |||
| 484 | G | 54.2 | Low | 61.7 | Low | 51 Ų | 51 | 102.1 Ų | 102.1 | 53% | 0.526 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -89.9 | -13.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G486 T487 | G484-G486 PolarHBondContact O-N 3.47Å; G484-T487 PolarHBondContact O-N 2.93Å; G484-T487 PolarHBondContact O-OG1 3.49Å |
| 485 | G | 56.9 | Low | 62.7 | Low | 34 Ų | 34 | 99.3 Ų | 99.3 | 35% | 0.351 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.5 | -25.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D483 T487 A489 | D483-G485 VanDerWaalsContact CG-N 3.26Å; D483-G485 PolarHBondContact OD1-N 3.44Å; D483-G485 WeakPolarHBondContact OD2-CA 3.49Å; D483-G485 PolarHBondContact OD2-N 2.89Å; G485-T487 PolarHBondContact O-N 2.99Å; G485-A489 WeakPolarHBondContact O-CB 3.34Å; G485-A489 PolarHBondContact O-N 3.27Å |
| 486 | G | 62 | Low | 64.2 | Low | 45 Ų | 45 | 100.3 Ų | 100.3 | 46% | 0.464 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.3 | -34.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | G484 L490 | G484-G486 PolarHBondContact O-N 3.47Å; G486-L490 WeakPolarHBondContact O-CG 3.24Å; G486-L490 PolarHBondContact O-N 3.46Å |
| 487 | T | 64.3 | Low | 66 | Low | 91 Ų | 91 | 103.3 Ų | 103.3 | 56% | 0.558 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -74.6 | -46.2 | 179.5 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | G484 G485 A489 L490 E491 | G484-T487 PolarHBondContact O-N 2.93Å; G484-T487 PolarHBondContact O-OG1 3.49Å; G485-T487 PolarHBondContact O-N 2.99Å; T487-A489 VanDerWaalsContact C-N 3.26Å; T487-A489 PolarHBondContact O-N 2.96Å; T487-L490 PolarHBondContact O-N 3.38Å; T487-L490 VanDerWaalsContact O-N 3.14Å; T487-E491 WeakPolarHBondContact O-CG 3.5Å; T487-E491 PolarHBondContact O-N 3.19Å |
| 488 | L | 69 | Low | 67.9 | Low | 107 Ų | 107 | 102.9 Ų | 102.9 | 56% | 0.56 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.8 | -33.1 | 178.5 | -174.7 | 65.2 | 0 | 0 | 0 | 112.2 | M492 | L488-M492 VanDerWaalsContact O-CB 3.3Å; L488-M492 WeakPolarHBondContact O-CB 3.24Å; L488-M492 VanDerWaalsContact O-CG 3.24Å; L488-M492 WeakPolarHBondContact O-CG 3.49Å; L488-M492 PolarHBondContact O-N 2.96Å; L488-M492 VanDerWaalsContact O-N 3.08Å |
| 489 | A | 74.8 | Confident | 69.9 | Low | 63 Ų | 63 | 107.8 Ų | 107.8 | 52% | 0.521 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.9 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G485 T487 M492 E493 | G485-A489 WeakPolarHBondContact O-CB 3.34Å; G485-A489 PolarHBondContact O-N 3.27Å; T487-A489 VanDerWaalsContact C-N 3.26Å; T487-A489 PolarHBondContact O-N 2.96Å; A489-M492 PolarHBondContact O-N 2.89Å; A489-E493 PolarHBondContact O-N 3.28Å; A489-E493 VanDerWaalsContact O-N 3.16Å |
| 490 | L | 77 | Confident | 72.4 | Confident | 107 Ų | 107 | 103.9 Ų | 103.9 | 56% | 0.56 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.1 | -47.3 | 176.8 | -72.9 | 166.9 | 0 | 0 | 0 | 111.6 | G486 T487 M492 E493 E494 | G486-L490 WeakPolarHBondContact O-CG 3.24Å; G486-L490 PolarHBondContact O-N 3.46Å; T487-L490 PolarHBondContact O-N 3.38Å; T487-L490 VanDerWaalsContact O-N 3.14Å; L490-M492 VanDerWaalsContact C-N 3.26Å; L490-M492 PolarHBondContact O-N 2.87Å; L490-E493 PolarHBondContact O-N 3.37Å; L490-E494 PolarHBondContact O-N 2.88Å |
| 491 | E | 80.8 | Confident | 74.7 | Confident | 104 Ų | 104 | 102 Ų | 102 | 49% | 0.486 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -55.5 | -41.8 | 175.1 | -70.3 | 168.3 | -171.3 | 0 | 0 | 111.6 | T487 E493 L495 | T487-E491 WeakPolarHBondContact O-CG 3.5Å; T487-E491 PolarHBondContact O-N 3.19Å; E491-E493 VanDerWaalsContact C-N 3.29Å; E491-E493 PolarHBondContact O-N 2.89Å; E491-L495 WeakPolarHBondContact O-CB 3.47Å; E491-L495 VanDerWaalsContact O-CG 3.27Å; E491-L495 WeakPolarHBondContact O-CG 3.47Å; E491-L495 PolarHBondContact O-N 3.12Å |
| 492 | M | 80.5 | Confident | 76.8 | Confident | 93 Ų | 93 | 99.7 Ų | 99.7 | 46% | 0.458 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71 | -17.5 | 176.4 | -77.3 | -64.6 | -55.3 | 0 | 0 | 114.6 | L488 A489 L490 R496 | L488-M492 VanDerWaalsContact O-CB 3.3Å; L488-M492 WeakPolarHBondContact O-CB 3.24Å; L488-M492 VanDerWaalsContact O-CG 3.24Å; L488-M492 WeakPolarHBondContact O-CG 3.49Å; L488-M492 PolarHBondContact O-N 2.96Å; L488-M492 VanDerWaalsContact O-N 3.08Å; A489-M492 PolarHBondContact O-N 2.89Å; L490-M492 VanDerWaalsContact C-N 3.26Å; L490-M492 PolarHBondContact O-N 2.87Å; M492-R496 VanDerWaalsContact O-CD 3.28Å; M492-R496 WeakPolarHBondContact O-CD 3.28Å; M492-R496 VanDerWaalsContact O-CG 3.23Å; M492-R496 WeakPolarHBondContact O-CG 3.31Å; M492-R496 PolarHBondContact O-NE 3.12Å |
| 493 | E | 83.2 | Confident | 79.2 | Confident | 124 Ų | 124 | 103.4 Ų | 103.4 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -91.5 | -38.8 | 174.1 | -171.6 | 150.5 | -129.1 | 0 | 0 | 111.5 | A489 L490 E491 R496 H497 | A489-E493 PolarHBondContact O-N 3.28Å; A489-E493 VanDerWaalsContact O-N 3.16Å; L490-E493 PolarHBondContact O-N 3.37Å; E491-E493 VanDerWaalsContact C-N 3.29Å; E491-E493 PolarHBondContact O-N 2.89Å; E493-R496 WeakPolarHBondContact O-CB 3.38Å; E493-R496 PolarHBondContact O-N 3.04Å; E493-R496 VanDerWaalsContact O-N 3.13Å; E493-H497 PolarHBondContact O-N 3.07Å |
| 494 | E | 83.4 | Confident | 81.5 | Confident | 138 Ų | 138 | 102.4 Ų | 102.4 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.6 | -47.8 | 170.2 | -70.6 | -177.5 | 169.9 | 0 | 0 | 111.2 | L490 R496 H497 E498 | L490-E494 PolarHBondContact O-N 2.88Å; E494-R496 PolarHBondContact O-N 3.42Å; E494-H497 PolarHBondContact O-N 3.2Å; E494-H497 VanDerWaalsContact O-N 3.09Å; E494-E498 PolarHBondContact O-N 3.08Å |
| 495 | L | 87.3 | Confident | 83.4 | Confident | 101 Ų | 101 | 105.3 Ų | 105.3 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -26.1 | 175.3 | -73.2 | 170.4 | 0 | 0 | 0 | 113.7 | E491 K499 | E491-L495 WeakPolarHBondContact O-CB 3.47Å; E491-L495 VanDerWaalsContact O-CG 3.27Å; E491-L495 WeakPolarHBondContact O-CG 3.47Å; E491-L495 PolarHBondContact O-N 3.12Å; L495-K499 VanDerWaalsContact O-CB 3.29Å; L495-K499 WeakPolarHBondContact O-CB 3.23Å; L495-K499 PolarHBondContact O-N 3.45Å |
| 496 | R | 90.6 | Very high | 85.2 | Confident | 162 Ų | 162 | 108 Ų | 108 | 61% | 0.611 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -75.7 | -40.6 | 172.8 | -74.5 | 167.6 | -176.9 | 178.4 | 2.3 | 111.4 | M492 E493 E494 K499 E500 | M492-R496 VanDerWaalsContact O-CD 3.28Å; M492-R496 WeakPolarHBondContact O-CD 3.28Å; M492-R496 VanDerWaalsContact O-CG 3.23Å; M492-R496 WeakPolarHBondContact O-CG 3.31Å; M492-R496 PolarHBondContact O-NE 3.12Å; E493-R496 WeakPolarHBondContact O-CB 3.38Å; E493-R496 PolarHBondContact O-N 3.04Å; E493-R496 VanDerWaalsContact O-N 3.13Å; E494-R496 PolarHBondContact O-N 3.42Å; R496-K499 PolarHBondContact O-N 3.17Å; R496-E500 PolarHBondContact O-N 3.37Å; R496-E500 VanDerWaalsContact O-N 3.1Å |
| 497 | H | 90.3 | Very high | 86.8 | Confident | 138 Ų | 138 | 112.1 Ų | 112.1 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.1 | -42.4 | 177.4 | -172.8 | 43.4 | 0 | 0 | 0 | 111.5 | E493 E494 K499 E500 L501 | E493-H497 PolarHBondContact O-N 3.07Å; E494-H497 PolarHBondContact O-N 3.2Å; E494-H497 VanDerWaalsContact O-N 3.09Å; H497-K499 VanDerWaalsContact C-N 3.35Å; H497-K499 PolarHBondContact O-N 3.38Å; H497-E500 PolarHBondContact O-N 2.72Å; H497-L501 WeakPolarHBondContact O-CB 3.48Å; H497-L501 PolarHBondContact O-N 3.45Å |
| 498 | E | 91.9 | Very high | 88.3 | Confident | 100 Ų | 100 | 114.2 Ų | 114.2 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 173.8 | -165.1 | -165 | 163.7 | 0 | 0 | 111.1 | E494 E500 L501 Q502 | E494-E498 PolarHBondContact O-N 3.08Å; E498-E500 VanDerWaalsContact C-N 3.33Å; E498-E500 PolarHBondContact O-N 2.95Å; E498-L501 PolarHBondContact O-N 2.87Å; E498-Q502 WeakPolarHBondContact O-CB 3.33Å; E498-Q502 VanDerWaalsContact O-CG 3.28Å; E498-Q502 WeakPolarHBondContact O-CG 3.47Å; E498-Q502 PolarHBondContact O-N 3.49Å; E498-Q502 PolarHBondContact OE1-NE2 3.44Å |
| 499 | K | 92.4 | Very high | 89.6 | Confident | 143 Ų | 143 | 113.3 Ų | 113.3 | 62% | 0.622 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.5 | -41.2 | 176.4 | 179.3 | -174 | 173.2 | -172.2 | 0 | 112.9 | L495 R496 H497 R503 | L495-K499 VanDerWaalsContact O-CB 3.29Å; L495-K499 WeakPolarHBondContact O-CB 3.23Å; L495-K499 PolarHBondContact O-N 3.45Å; R496-K499 PolarHBondContact O-N 3.17Å; H497-K499 VanDerWaalsContact C-N 3.35Å; H497-K499 PolarHBondContact O-N 3.38Å; K499-R503 WeakPolarHBondContact O-CB 3.4Å; K499-R503 PolarHBondContact O-N 3.05Å |
| 500 | E | 94.3 | Very high | 90.6 | Very high | 82 Ų | 82 | 116.5 Ų | 116.5 | 38% | 0.383 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -75.8 | -33.9 | 179.6 | -154.5 | 65.4 | -165.4 | 0 | 0 | 111.5 | R496 H497 E498 R503 E504 | R496-E500 PolarHBondContact O-N 3.37Å; R496-E500 VanDerWaalsContact O-N 3.1Å; H497-E500 PolarHBondContact O-N 2.72Å; E498-E500 VanDerWaalsContact C-N 3.33Å; E498-E500 PolarHBondContact O-N 2.95Å; E500-R503 WeakPolarHBondContact O-CA 3.24Å; E500-R503 VanDerWaalsContact O-CB 3.31Å; E500-R503 WeakPolarHBondContact O-CB 3.44Å; E500-R503 PolarHBondContact O-N 3.36Å; E500-R503 VanDerWaalsContact O-N 3.12Å; E500-R503 WeakPolarHBondContact OE1-CD 3.47Å; E500-R503 IonicContact OE1-CZ 3.66Å; E500-R503 IonicContact OE1-NE 3.97Å; E500-R503 IonicContact OE1-NH1 2.67Å; E500-R503 PolarHBondContact OE1-NH1 3.33Å; E500-R503 IonicContact OE2-NH1 2.62Å; E500-E504 PolarHBondContact O-N 3.1Å |
| 501 | L | 93.9 | Very high | 91.5 | Very high | 99 Ų | 99 | 113.3 Ų | 113.3 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 170.5 | -178.5 | 65.6 | 0 | 0 | 0 | 111.7 | H497 E498 R503 E504 E505 | H497-L501 WeakPolarHBondContact O-CB 3.48Å; H497-L501 PolarHBondContact O-N 3.45Å; E498-L501 PolarHBondContact O-N 2.87Å; L501-R503 PolarHBondContact O-N 2.75Å; L501-E504 PolarHBondContact O-N 3.29Å; L501-E505 WeakPolarHBondContact O-CB 3.48Å; L501-E505 PolarHBondContact O-N 2.81Å |
| 502 | Q | 93.1 | Very high | 92.3 | Very high | 94 Ų | 94 | 112.8 Ų | 112.8 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.2 | -36.1 | 172 | -71.6 | 174.5 | 10.9 | 0 | 0 | 111.3 | E498 I506 | E498-Q502 WeakPolarHBondContact O-CB 3.33Å; E498-Q502 VanDerWaalsContact O-CG 3.28Å; E498-Q502 WeakPolarHBondContact O-CG 3.47Å; E498-Q502 PolarHBondContact O-N 3.49Å; E498-Q502 PolarHBondContact OE1-NE2 3.44Å; Q502-I506 WeakPolarHBondContact O-CB 3.34Å; Q502-I506 WeakPolarHBondContact O-CD1 3.44Å; Q502-I506 WeakPolarHBondContact O-CG1 3.43Å; Q502-I506 PolarHBondContact O-N 2.96Å |
| 503 | R | 96.2 | Very high | 93 | Very high | 148 Ų | 148 | 111.5 Ų | 111.5 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.5 | -45.2 | 176.3 | -169.1 | -164.4 | -170.7 | 156.3 | 2.4 | 112.5 | K499 E500 L501 E505 I506 Q507 | K499-R503 WeakPolarHBondContact O-CB 3.4Å; K499-R503 PolarHBondContact O-N 3.05Å; E500-R503 WeakPolarHBondContact O-CA 3.24Å; E500-R503 VanDerWaalsContact O-CB 3.31Å; E500-R503 WeakPolarHBondContact O-CB 3.44Å; E500-R503 PolarHBondContact O-N 3.36Å; E500-R503 VanDerWaalsContact O-N 3.12Å; E500-R503 WeakPolarHBondContact OE1-CD 3.47Å; E500-R503 IonicContact OE1-CZ 3.66Å; E500-R503 IonicContact OE1-NE 3.97Å; E500-R503 IonicContact OE1-NH1 2.67Å; E500-R503 PolarHBondContact OE1-NH1 3.33Å; E500-R503 IonicContact OE2-NH1 2.62Å; L501-R503 PolarHBondContact O-N 2.75Å; R503-E505 VanDerWaalsContact C-N 3.32Å; R503-I506 PolarHBondContact O-N 3.24Å; R503-Q507 WeakPolarHBondContact O-CB 3.34Å; R503-Q507 PolarHBondContact O-N 2.82Å |
| 504 | E | 95.3 | Very high | 93.7 | Very high | 126 Ų | 126 | 107.5 Ų | 107.5 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 174.8 | -72.8 | -174.7 | 175.9 | 0 | 0 | 111.1 | E500 L501 Q507 K508 | E500-E504 PolarHBondContact O-N 3.1Å; L501-E504 PolarHBondContact O-N 3.29Å; E504-Q507 PolarHBondContact O-N 3.15Å; E504-K508 VanDerWaalsContact O-CB 3.29Å; E504-K508 WeakPolarHBondContact O-CB 3.36Å; E504-K508 PolarHBondContact O-N 3.28Å |
| 505 | E | 95.1 | Very high | 94.4 | Very high | 112 Ų | 112 | 104.4 Ų | 104.4 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 175.1 | -177.9 | 161.4 | -128.5 | 0 | 0 | 112 | L501 R503 Q507 K508 L509 | L501-E505 WeakPolarHBondContact O-CB 3.48Å; L501-E505 PolarHBondContact O-N 2.81Å; R503-E505 VanDerWaalsContact C-N 3.32Å; E505-Q507 VanDerWaalsContact C-N 3.33Å; E505-Q507 PolarHBondContact O-N 3.03Å; E505-K508 PolarHBondContact O-N 3.29Å; E505-L509 HydrophobicContact CG-CD1 3.88Å; E505-L509 HydrophobicContact CG-CG 4.29Å; E505-L509 WeakPolarHBondContact O-CB 3.4Å; E505-L509 VanDerWaalsContact O-CG 3.29Å; E505-L509 WeakPolarHBondContact O-CG 3.42Å; E505-L509 PolarHBondContact O-N 3Å |
| 506 | I | 94.3 | Very high | 94.8 | Very high | 90 Ų | 90 | 104 Ų | 104 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | 173.9 | -74.1 | 164.6 | 0 | 0 | 0 | 110.9 | Q502 R503 L509 Q510 | Q502-I506 WeakPolarHBondContact O-CB 3.34Å; Q502-I506 WeakPolarHBondContact O-CD1 3.44Å; Q502-I506 WeakPolarHBondContact O-CG1 3.43Å; Q502-I506 PolarHBondContact O-N 2.96Å; R503-I506 PolarHBondContact O-N 3.24Å; I506-L509 PolarHBondContact O-N 3.33Å; I506-Q510 HydrophobicContact CG2-CG 4.43Å; I506-Q510 WeakPolarHBondContact O-CB 3.34Å; I506-Q510 WeakPolarHBondContact O-CG 3.41Å; I506-Q510 PolarHBondContact O-N 2.92Å |
| 507 | Q | 95.8 | Very high | 95.1 | Very high | 133 Ų | 133 | 104.7 Ų | 104.7 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -39.6 | 178.2 | -176.6 | 173.6 | -11.8 | 0 | 0 | 111.9 | R503 E504 E505 Q510 G511 | R503-Q507 WeakPolarHBondContact O-CB 3.34Å; R503-Q507 PolarHBondContact O-N 2.82Å; E504-Q507 PolarHBondContact O-N 3.15Å; E505-Q507 VanDerWaalsContact C-N 3.33Å; E505-Q507 PolarHBondContact O-N 3.03Å; Q507-Q510 PolarHBondContact O-N 3.25Å; Q507-G511 PolarHBondContact O-N 3.49Å |
| 508 | K | 95.8 | Very high | 95.4 | Very high | 135 Ų | 135 | 100.3 Ų | 100.3 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 175.1 | 179.2 | -174 | 172.9 | -166.7 | 0 | 111.9 | E504 E505 G511 Q512 | E504-K508 VanDerWaalsContact O-CB 3.29Å; E504-K508 WeakPolarHBondContact O-CB 3.36Å; E504-K508 PolarHBondContact O-N 3.28Å; E505-K508 PolarHBondContact O-N 3.29Å; K508-G511 PolarHBondContact O-N 2.86Å; K508-Q512 WeakPolarHBondContact O-CG 3.48Å; K508-Q512 PolarHBondContact O-N 2.93Å |
| 509 | L | 95.5 | Very high | 95.7 | Very high | 87 Ų | 87 | 100.3 Ų | 100.3 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 175.7 | -71.7 | 170.2 | 0 | 0 | 0 | 111.4 | E505 I506 G511 Q512 V513 | E505-L509 HydrophobicContact CG-CD1 3.88Å; E505-L509 HydrophobicContact CG-CG 4.29Å; E505-L509 WeakPolarHBondContact O-CB 3.4Å; E505-L509 VanDerWaalsContact O-CG 3.29Å; E505-L509 WeakPolarHBondContact O-CG 3.42Å; E505-L509 PolarHBondContact O-N 3Å; I506-L509 PolarHBondContact O-N 3.33Å; L509-G511 VanDerWaalsContact C-N 3.33Å; L509-G511 PolarHBondContact O-N 2.84Å; L509-Q512 PolarHBondContact O-N 2.98Å; L509-V513 WeakPolarHBondContact O-CB 2.96Å; L509-V513 WeakPolarHBondContact O-CG2 3.35Å; L509-V513 PolarHBondContact O-N 3.08Å |
| 510 | Q | 96 | Very high | 95.8 | Very high | 130 Ų | 130 | 97.9 Ų | 97.9 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.2 | -40.9 | 171.8 | -75.8 | 172.1 | 5.4 | 0 | 0 | 111.8 | I506 Q507 V513 G514 | I506-Q510 HydrophobicContact CG2-CG 4.43Å; I506-Q510 WeakPolarHBondContact O-CB 3.34Å; I506-Q510 WeakPolarHBondContact O-CG 3.41Å; I506-Q510 PolarHBondContact O-N 2.92Å; Q507-Q510 PolarHBondContact O-N 3.25Å; Q510-V513 PolarHBondContact O-N 3.01Å; Q510-G514 PolarHBondContact O-N 3.4Å |
| 511 | G | 95.6 | Very high | 96 | Very high | 41 Ų | 41 | 99.6 Ų | 99.6 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q507 K508 L509 G514 T515 | Q507-G511 PolarHBondContact O-N 3.49Å; K508-G511 PolarHBondContact O-N 2.86Å; L509-G511 VanDerWaalsContact C-N 3.33Å; L509-G511 PolarHBondContact O-N 2.84Å; G511-G514 CarbonylContact O-C 3.54Å; G511-G514 WeakPolarHBondContact O-CA 3.49Å; G511-G514 PolarHBondContact O-N 2.82Å; G511-T515 PolarHBondContact O-N 3.01Å |
| 512 | Q | 96.9 | Very high | 96.2 | Very high | 92 Ų | 92 | 99.9 Ų | 99.9 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 177.3 | -71.2 | 177.7 | -34.5 | 0 | 0 | 112.8 | K508 L509 G514 T515 L516 | K508-Q512 WeakPolarHBondContact O-CG 3.48Å; K508-Q512 PolarHBondContact O-N 2.93Å; L509-Q512 PolarHBondContact O-N 2.98Å; Q512-G514 PolarHBondContact O-N 3.31Å; Q512-T515 PolarHBondContact O-N 2.82Å; Q512-T515 PolarHBondContact O-OG1 2.97Å; Q512-L516 WeakPolarHBondContact O-CB 3.48Å; Q512-L516 VanDerWaalsContact O-CG 3.27Å; Q512-L516 WeakPolarHBondContact O-CG 3.41Å; Q512-L516 PolarHBondContact O-N 3.49Å |
| 513 | V | 96.7 | Very high | 96.3 | Very high | 67 Ų | 67 | 100.8 Ų | 100.8 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -31 | 171 | 169.6 | 0 | 0 | 0 | 0 | 111 | L509 Q510 R517 | L509-V513 WeakPolarHBondContact O-CB 2.96Å; L509-V513 WeakPolarHBondContact O-CG2 3.35Å; L509-V513 PolarHBondContact O-N 3.08Å; Q510-V513 PolarHBondContact O-N 3.01Å; V513-R517 WeakPolarHBondContact O-CB 3.2Å; V513-R517 WeakPolarHBondContact O-CD 3.45Å; V513-R517 WeakPolarHBondContact O-CG 3.31Å; V513-R517 PolarHBondContact O-N 3.5Å |
| 514 | G | 97.4 | Very high | 96.3 | Very high | 39 Ų | 39 | 99.4 Ų | 99.4 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -51.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q510 G511 Q512 R517 A518 | Q510-G514 PolarHBondContact O-N 3.4Å; G511-G514 CarbonylContact O-C 3.54Å; G511-G514 WeakPolarHBondContact O-CA 3.49Å; G511-G514 PolarHBondContact O-N 2.82Å; Q512-G514 PolarHBondContact O-N 3.31Å; G514-R517 PolarHBondContact O-N 3.32Å; G514-A518 PolarHBondContact O-N 2.91Å |
| 515 | T | 97.3 | Very high | 96.4 | Very high | 73 Ų | 73 | 97.3 Ų | 97.3 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 179.6 | 65.2 | 0 | 0 | 0 | 0 | 111.6 | G511 Q512 R517 A518 E519 | G511-T515 PolarHBondContact O-N 3.01Å; Q512-T515 PolarHBondContact O-N 2.82Å; Q512-T515 PolarHBondContact O-OG1 2.97Å; T515-R517 PolarHBondContact O-N 3.43Å; T515-A518 WeakPolarHBondContact O-CB 3.49Å; T515-A518 PolarHBondContact O-N 2.93Å; T515-E519 WeakPolarHBondContact CB-OE1 3.31Å; T515-E519 WeakPolarHBondContact O-CG 3.3Å; T515-E519 PolarHBondContact O-N 3.38Å; T515-E519 PolarHBondContact OG1-OE1 3.47Å |
| 516 | L | 95.9 | Very high | 96.5 | Very high | 93 Ų | 93 | 97 Ų | 97 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -32.8 | 177.5 | -71.5 | 170 | 0 | 0 | 0 | 112.8 | Q512 I520 | Q512-L516 WeakPolarHBondContact O-CB 3.48Å; Q512-L516 VanDerWaalsContact O-CG 3.27Å; Q512-L516 WeakPolarHBondContact O-CG 3.41Å; Q512-L516 PolarHBondContact O-N 3.49Å; L516-I520 WeakPolarHBondContact O-CB 3.31Å; L516-I520 WeakPolarHBondContact O-CD1 3.28Å; L516-I520 WeakPolarHBondContact O-CG1 3.45Å; L516-I520 PolarHBondContact O-N 2.88Å |
| 517 | R | 97.6 | Very high | 96.5 | Very high | 177 Ų | 177 | 95.5 Ų | 95.5 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.1 | -39.1 | 173.5 | -78.4 | 171.1 | -179.7 | 175.4 | 1.3 | 112.8 | V513 G514 T515 Q521 | V513-R517 WeakPolarHBondContact O-CB 3.2Å; V513-R517 WeakPolarHBondContact O-CD 3.45Å; V513-R517 WeakPolarHBondContact O-CG 3.31Å; V513-R517 PolarHBondContact O-N 3.5Å; G514-R517 PolarHBondContact O-N 3.32Å; T515-R517 PolarHBondContact O-N 3.43Å; R517-Q521 WeakPolarHBondContact O-CB 3.42Å; R517-Q521 PolarHBondContact O-N 2.99Å |
| 518 | A | 97.3 | Very high | 96.5 | Very high | 46 Ų | 46 | 94.6 Ų | 94.6 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | G514 T515 I520 Q521 D522 | G514-A518 PolarHBondContact O-N 2.91Å; T515-A518 WeakPolarHBondContact O-CB 3.49Å; T515-A518 PolarHBondContact O-N 2.93Å; A518-I520 VanDerWaalsContact C-N 3.34Å; A518-I520 PolarHBondContact O-N 3.46Å; A518-Q521 PolarHBondContact O-N 3.33Å; A518-Q521 VanDerWaalsContact O-N 3.12Å; A518-D522 PolarHBondContact O-N 3.43Å |
| 519 | E | 96.9 | Very high | 96.6 | Very high | 99 Ų | 99 | 90.6 Ų | 90.6 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 175.7 | -69.3 | 162.3 | -138 | 0 | 0 | 111.9 | T515 L523 | T515-E519 WeakPolarHBondContact CB-OE1 3.31Å; T515-E519 WeakPolarHBondContact O-CG 3.3Å; T515-E519 PolarHBondContact O-N 3.38Å; T515-E519 PolarHBondContact OG1-OE1 3.47Å; E519-L523 WeakPolarHBondContact O-CB 3.33Å; E519-L523 WeakPolarHBondContact O-CD1 3.44Å; E519-L523 VanDerWaalsContact O-CG 3.23Å; E519-L523 WeakPolarHBondContact O-CG 3.29Å; E519-L523 PolarHBondContact O-N 2.87Å |
| 520 | I | 95.9 | Very high | 96.6 | Very high | 93 Ų | 93 | 90.8 Ų | 90.8 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 172.9 | -72.2 | 164.2 | 0 | 0 | 0 | 111 | L516 A518 D522 L523 E524 | L516-I520 WeakPolarHBondContact O-CB 3.31Å; L516-I520 WeakPolarHBondContact O-CD1 3.28Å; L516-I520 WeakPolarHBondContact O-CG1 3.45Å; L516-I520 PolarHBondContact O-N 2.88Å; A518-I520 VanDerWaalsContact C-N 3.34Å; A518-I520 PolarHBondContact O-N 3.46Å; I520-D522 PolarHBondContact O-N 2.97Å; I520-L523 PolarHBondContact O-N 3.47Å; I520-E524 HydrophobicContact CG2-CG 4.34Å; I520-E524 WeakPolarHBondContact O-CB 3.25Å; I520-E524 WeakPolarHBondContact O-CG 3.21Å; I520-E524 PolarHBondContact O-N 3.25Å |
| 521 | Q | 97.8 | Very high | 96.5 | Very high | 118 Ų | 118 | 87.2 Ų | 87.2 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.8 | -39.2 | -179.4 | -174.6 | 175.9 | -0.2 | 0 | 0 | 112.3 | R517 A518 E524 N525 | R517-Q521 WeakPolarHBondContact O-CB 3.42Å; R517-Q521 PolarHBondContact O-N 2.99Å; A518-Q521 PolarHBondContact O-N 3.33Å; A518-Q521 VanDerWaalsContact O-N 3.12Å; Q521-E524 PolarHBondContact O-N 2.67Å; Q521-N525 WeakPolarHBondContact O-CB 3.49Å; Q521-N525 PolarHBondContact O-N 2.94Å; Q521-N525 PolarHBondContact O-ND2 3.41Å; Q521-N525 VanDerWaalsContact O-ND2 3.08Å |
| 522 | D | 97.3 | Very high | 96.6 | Very high | 104 Ų | 104 | 90.9 Ų | 90.9 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.6 | -37.3 | 176.5 | -73.6 | -23.9 | 0 | 0 | 0 | 111.7 | A518 I520 N525 Q526 | A518-D522 PolarHBondContact O-N 3.43Å; I520-D522 PolarHBondContact O-N 2.97Å; D522-N525 PolarHBondContact O-N 2.97Å; D522-Q526 WeakPolarHBondContact O-CB 3.32Å; D522-Q526 PolarHBondContact O-N 3.43Å |
| 523 | L | 96.2 | Very high | 96.6 | Very high | 113 Ų | 113 | 89.7 Ų | 89.7 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68 | -38 | 172.4 | -72.4 | 169.9 | 0 | 0 | 0 | 112.7 | E519 I520 Q526 A527 | E519-L523 WeakPolarHBondContact O-CB 3.33Å; E519-L523 WeakPolarHBondContact O-CD1 3.44Å; E519-L523 VanDerWaalsContact O-CG 3.23Å; E519-L523 WeakPolarHBondContact O-CG 3.29Å; E519-L523 PolarHBondContact O-N 2.87Å; I520-L523 PolarHBondContact O-N 3.47Å; L523-Q526 PolarHBondContact O-N 2.91Å; L523-A527 WeakPolarHBondContact O-CB 3.45Å; L523-A527 PolarHBondContact O-N 2.9Å |
| 524 | E | 96.2 | Very high | 96.5 | Very high | 119 Ų | 119 | 94.1 Ų | 94.1 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 172.8 | -75.4 | 175.4 | 170.3 | 0 | 0 | 111.1 | I520 Q521 A527 L528 | I520-E524 HydrophobicContact CG2-CG 4.34Å; I520-E524 WeakPolarHBondContact O-CB 3.25Å; I520-E524 WeakPolarHBondContact O-CG 3.21Å; I520-E524 PolarHBondContact O-N 3.25Å; Q521-E524 PolarHBondContact O-N 2.67Å; E524-A527 PolarHBondContact O-N 3.15Å; E524-L528 WeakPolarHBondContact O-CG 3.41Å; E524-L528 PolarHBondContact O-N 2.87Å |
| 525 | N | 96.8 | Very high | 96.5 | Very high | 83 Ų | 83 | 97.7 Ų | 97.7 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 174.3 | -72 | -34.4 | 0 | 0 | 0 | 111.9 | Q521 D522 L528 A529 | Q521-N525 WeakPolarHBondContact O-CB 3.49Å; Q521-N525 PolarHBondContact O-N 2.94Å; Q521-N525 PolarHBondContact O-ND2 3.41Å; Q521-N525 VanDerWaalsContact O-ND2 3.08Å; D522-N525 PolarHBondContact O-N 2.97Å; N525-L528 PolarHBondContact O-N 3.3Å; N525-A529 WeakPolarHBondContact O-CB 3.19Å; N525-A529 PolarHBondContact O-N 3.39Å |
| 526 | Q | 96.7 | Very high | 96.5 | Very high | 105 Ų | 105 | 99.5 Ų | 99.5 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 176.9 | -179 | 176.9 | -17.2 | 0 | 0 | 111.3 | D522 L523 L528 A529 E530 | D522-Q526 WeakPolarHBondContact O-CB 3.32Å; D522-Q526 PolarHBondContact O-N 3.43Å; L523-Q526 PolarHBondContact O-N 2.91Å; Q526-L528 VanDerWaalsContact C-N 3.3Å; Q526-L528 PolarHBondContact O-N 2.88Å; Q526-A529 PolarHBondContact O-N 3.36Å; Q526-E530 HydrophobicContact CG-CG 4.39Å; Q526-E530 WeakPolarHBondContact CG-OE1 3.45Å; Q526-E530 PolarHBondContact NE2-OE1 2.92Å; Q526-E530 WeakPolarHBondContact O-CB 3.27Å; Q526-E530 WeakPolarHBondContact O-CG 3.35Å; Q526-E530 PolarHBondContact O-N 3.4Å |
| 527 | A | 94.2 | Very high | 96.5 | Very high | 59 Ų | 59 | 99.5 Ų | 99.5 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L523 E524 A531 | L523-A527 WeakPolarHBondContact O-CB 3.45Å; L523-A527 PolarHBondContact O-N 2.9Å; E524-A527 PolarHBondContact O-N 3.15Å; A527-A531 VanDerWaalsContact O-CB 3.28Å; A527-A531 WeakPolarHBondContact O-CB 3.27Å; A527-A531 PolarHBondContact O-N 3.2Å |
| 528 | L | 97.4 | Very high | 96.3 | Very high | 113 Ų | 113 | 97.3 Ų | 97.3 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.1 | -47.5 | 172.9 | -72.5 | 170.6 | 0 | 0 | 0 | 111.8 | E524 N525 Q526 E530 A531 E532 | E524-L528 WeakPolarHBondContact O-CG 3.41Å; E524-L528 PolarHBondContact O-N 2.87Å; N525-L528 PolarHBondContact O-N 3.3Å; Q526-L528 VanDerWaalsContact C-N 3.3Å; Q526-L528 PolarHBondContact O-N 2.88Å; L528-E530 PolarHBondContact O-N 2.74Å; L528-A531 PolarHBondContact O-N 3.16Å; L528-E532 WeakPolarHBondContact O-CG 3.26Å; L528-E532 PolarHBondContact O-N 2.86Å |
| 529 | A | 96.8 | Very high | 96.3 | Very high | 51 Ų | 51 | 98.7 Ų | 98.7 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | N525 Q526 E532 T533 | N525-A529 WeakPolarHBondContact O-CB 3.19Å; N525-A529 PolarHBondContact O-N 3.39Å; Q526-A529 PolarHBondContact O-N 3.36Å; A529-E532 PolarHBondContact O-N 3.15Å; A529-T533 WeakPolarHBondContact O-CG2 3.32Å; A529-T533 PolarHBondContact O-N 3.16Å |
| 530 | E | 95.3 | Very high | 96.3 | Very high | 91 Ų | 91 | 99.5 Ų | 99.5 | 43% | 0.425 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 173.5 | -74.3 | -179 | -160.8 | 0 | 0 | 110.9 | Q526 L528 E532 T533 W534 | Q526-E530 HydrophobicContact CG-CG 4.39Å; Q526-E530 WeakPolarHBondContact CG-OE1 3.45Å; Q526-E530 PolarHBondContact NE2-OE1 2.92Å; Q526-E530 WeakPolarHBondContact O-CB 3.27Å; Q526-E530 WeakPolarHBondContact O-CG 3.35Å; Q526-E530 PolarHBondContact O-N 3.4Å; L528-E530 PolarHBondContact O-N 2.74Å; E530-E532 VanDerWaalsContact C-N 3.31Å; E530-E532 PolarHBondContact O-N 3.4Å; E530-T533 PolarHBondContact O-N 3.33Å; E530-T533 VanDerWaalsContact O-N 3.16Å; E530-T533 PolarHBondContact O-OG1 2.85Å; E530-W534 PolarHBondContact O-N 3.41Å |
| 531 | A | 95.3 | Very high | 96.2 | Very high | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A527 L528 R535 | A527-A531 VanDerWaalsContact O-CB 3.28Å; A527-A531 WeakPolarHBondContact O-CB 3.27Å; A527-A531 PolarHBondContact O-N 3.2Å; L528-A531 PolarHBondContact O-N 3.16Å; A531-R535 WeakPolarHBondContact O-CB 3.4Å; A531-R535 PolarHBondContact O-N 2.86Å |
| 532 | E | 97.5 | Very high | 96.2 | Very high | 117 Ų | 117 | 100.2 Ų | 100.2 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 173.1 | -73.9 | -171.7 | 156.7 | 0 | 0 | 112 | L528 A529 E530 W534 R535 E536 | L528-E532 WeakPolarHBondContact O-CG 3.26Å; L528-E532 PolarHBondContact O-N 2.86Å; A529-E532 PolarHBondContact O-N 3.15Å; E530-E532 VanDerWaalsContact C-N 3.31Å; E530-E532 PolarHBondContact O-N 3.4Å; E532-W534 VanDerWaalsContact C-N 3.34Å; E532-W534 PolarHBondContact O-N 3.26Å; E532-R535 WeakPolarHBondContact O-CB 3.31Å; E532-R535 PolarHBondContact O-N 2.78Å; E532-E536 WeakPolarHBondContact O-CG 3.38Å; E532-E536 PolarHBondContact O-N 2.84Å |
| 533 | T | 96.6 | Very high | 96.2 | Very high | 67 Ų | 67 | 100.6 Ų | 100.6 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 176.3 | 64.7 | 0 | 0 | 0 | 0 | 112.9 | A529 E530 E536 Q537 | A529-T533 WeakPolarHBondContact O-CG2 3.32Å; A529-T533 PolarHBondContact O-N 3.16Å; E530-T533 PolarHBondContact O-N 3.33Å; E530-T533 VanDerWaalsContact O-N 3.16Å; E530-T533 PolarHBondContact O-OG1 2.85Å; T533-E536 PolarHBondContact O-N 2.87Å; T533-Q537 VanDerWaalsContact O-CG 3.29Å; T533-Q537 WeakPolarHBondContact O-CG 3.2Å; T533-Q537 PolarHBondContact O-N 2.85Å; T533-Q537 PolarHBondContact O-NE2 2.75Å |
| 534 | W | 94.8 | Very high | 96.1 | Very high | 161 Ų | 161 | 99.6 Ų | 99.6 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -41.7 | 173.2 | -74.1 | 119 | 0 | 0 | 0 | 112 | E530 E532 E536 Q537 Q538 | E530-W534 PolarHBondContact O-N 3.41Å; E532-W534 VanDerWaalsContact C-N 3.34Å; E532-W534 PolarHBondContact O-N 3.26Å; W534-E536 VanDerWaalsContact C-N 3.32Å; W534-E536 PolarHBondContact O-N 3.35Å; W534-Q537 PolarHBondContact O-N 2.84Å; W534-Q538 WeakPolarHBondContact O-CB 3.41Å; W534-Q538 PolarHBondContact O-N 3.43Å |
| 535 | R | 97.6 | Very high | 95.9 | Very high | 114 Ų | 114 | 99.5 Ų | 99.5 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 173.6 | -178.9 | -166.9 | 59.3 | 64.1 | 5 | 111.3 | A531 E532 Q538 V539 | A531-R535 WeakPolarHBondContact O-CB 3.4Å; A531-R535 PolarHBondContact O-N 2.86Å; E532-R535 WeakPolarHBondContact O-CB 3.31Å; E532-R535 PolarHBondContact O-N 2.78Å; R535-Q538 PolarHBondContact O-N 3.45Å; R535-V539 WeakPolarHBondContact O-CG2 3.36Å; R535-V539 PolarHBondContact O-N 2.9Å |
| 536 | E | 97.2 | Very high | 95.9 | Very high | 111 Ų | 111 | 98.3 Ų | 98.3 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.6 | -40.9 | 179.3 | -71.4 | -177.4 | 174.8 | 0 | 0 | 112.7 | E532 T533 W534 Q538 V539 H540 | E532-E536 WeakPolarHBondContact O-CG 3.38Å; E532-E536 PolarHBondContact O-N 2.84Å; T533-E536 PolarHBondContact O-N 2.87Å; W534-E536 VanDerWaalsContact C-N 3.32Å; W534-E536 PolarHBondContact O-N 3.35Å; E536-Q538 VanDerWaalsContact C-N 3.33Å; E536-Q538 PolarHBondContact O-N 2.91Å; E536-V539 PolarHBondContact O-N 2.86Å; E536-H540 WeakPolarHBondContact O-CB 3.5Å; E536-H540 PolarHBondContact O-N 3.14Å |
| 537 | Q | 95.7 | Very high | 95.9 | Very high | 92 Ų | 92 | 98.6 Ų | 98.6 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 171 | -72.3 | 173.1 | 53.5 | 0 | 0 | 111.7 | T533 W534 H540 L541 | T533-Q537 VanDerWaalsContact O-CG 3.29Å; T533-Q537 WeakPolarHBondContact O-CG 3.2Å; T533-Q537 PolarHBondContact O-N 2.85Å; T533-Q537 PolarHBondContact O-NE2 2.75Å; W534-Q537 PolarHBondContact O-N 2.84Å; Q537-H540 PolarHBondContact O-N 3.38Å; Q537-L541 WeakPolarHBondContact O-CB 3.37Å; Q537-L541 VanDerWaalsContact O-CG 3.31Å; Q537-L541 WeakPolarHBondContact O-CG 3.29Å; Q537-L541 PolarHBondContact O-N 2.88Å |
| 538 | Q | 92.8 | Very high | 95.7 | Very high | 131 Ų | 131 | 101.5 Ų | 101.5 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -46.6 | 176.2 | -178.1 | -179.2 | -10.3 | 0 | 0 | 111.7 | W534 R535 E536 L541 Q542 | W534-Q538 WeakPolarHBondContact O-CB 3.41Å; W534-Q538 PolarHBondContact O-N 3.43Å; R535-Q538 PolarHBondContact O-N 3.45Å; E536-Q538 VanDerWaalsContact C-N 3.33Å; E536-Q538 PolarHBondContact O-N 2.91Å; Q538-L541 PolarHBondContact O-N 3.45Å; Q538-Q542 VanDerWaalsContact O-CB 3.31Å; Q538-Q542 WeakPolarHBondContact O-CB 3.42Å; Q538-Q542 PolarHBondContact O-N 2.95Å |
| 539 | V | 97.8 | Very high | 95.6 | Very high | 76 Ų | 76 | 100.1 Ų | 100.1 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 177.2 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | R535 E536 Q542 E543 | R535-V539 WeakPolarHBondContact O-CG2 3.36Å; R535-V539 PolarHBondContact O-N 2.9Å; E536-V539 PolarHBondContact O-N 2.86Å; V539-Q542 PolarHBondContact O-N 3.44Å; V539-E543 WeakPolarHBondContact O-CB 3.37Å; V539-E543 PolarHBondContact O-N 2.95Å |
| 540 | H | 97 | Very high | 95.6 | Very high | 115 Ų | 115 | 105.2 Ų | 105.2 | 53% | 0.532 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 179.3 | -175.3 | 55.9 | 0 | 0 | 0 | 112.6 | E536 Q537 E543 Q544 | E536-H540 WeakPolarHBondContact O-CB 3.5Å; E536-H540 PolarHBondContact O-N 3.14Å; Q537-H540 PolarHBondContact O-N 3.38Å; H540-E543 PolarHBondContact O-N 2.85Å; H540-Q544 WeakPolarHBondContact O-CB 3.04Å; H540-Q544 PolarHBondContact O-N 3.26Å |
| 541 | L | 94.2 | Very high | 95.5 | Very high | 104 Ų | 104 | 103.3 Ų | 103.3 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 173.7 | -71.3 | 170.6 | 0 | 0 | 0 | 111.8 | Q537 Q538 Q544 Q545 | Q537-L541 WeakPolarHBondContact O-CB 3.37Å; Q537-L541 VanDerWaalsContact O-CG 3.31Å; Q537-L541 WeakPolarHBondContact O-CG 3.29Å; Q537-L541 PolarHBondContact O-N 2.88Å; Q538-L541 PolarHBondContact O-N 3.45Å; L541-Q544 PolarHBondContact O-N 2.81Å; L541-Q545 WeakPolarHBondContact O-CB 3.36Å; L541-Q545 PolarHBondContact O-N 3.47Å |
| 542 | Q | 96.4 | Very high | 95.4 | Very high | 122 Ų | 122 | 106 Ų | 106 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.4 | -39.5 | 176.1 | -173.9 | 174.9 | -2.9 | 0 | 0 | 112.1 | Q538 V539 Q545 A546 | Q538-Q542 VanDerWaalsContact O-CB 3.31Å; Q538-Q542 WeakPolarHBondContact O-CB 3.42Å; Q538-Q542 PolarHBondContact O-N 2.95Å; V539-Q542 PolarHBondContact O-N 3.44Å; Q542-Q545 PolarHBondContact O-N 3.45Å; Q542-A546 WeakPolarHBondContact O-CB 3.46Å; Q542-A546 PolarHBondContact O-N 2.9Å |
| 543 | E | 97.4 | Very high | 95.3 | Very high | 112 Ų | 112 | 106.4 Ų | 106.4 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 172.8 | -177.4 | 178 | -146 | 0 | 0 | 111.3 | V539 H540 Q545 A546 L547 | V539-E543 WeakPolarHBondContact O-CB 3.37Å; V539-E543 PolarHBondContact O-N 2.95Å; H540-E543 PolarHBondContact O-N 2.85Å; E543-Q545 VanDerWaalsContact C-N 3.3Å; E543-Q545 PolarHBondContact O-N 3.42Å; E543-A546 PolarHBondContact O-N 3.36Å; E543-A546 VanDerWaalsContact O-N 3.14Å; E543-L547 HydrophobicContact CG-CD1 4.19Å; E543-L547 WeakPolarHBondContact O-CG 3.47Å; E543-L547 PolarHBondContact O-N 3.39Å |
| 544 | Q | 94.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 107 Ų | 107 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 175.3 | -174.1 | -178.9 | 60.9 | 0 | 0 | 111.6 | H540 L541 L547 Q548 | H540-Q544 WeakPolarHBondContact O-CB 3.04Å; H540-Q544 PolarHBondContact O-N 3.26Å; L541-Q544 PolarHBondContact O-N 2.81Å; Q544-L547 PolarHBondContact O-N 3.27Å; Q544-Q548 WeakPolarHBondContact O-CB 3.29Å; Q544-Q548 WeakPolarHBondContact O-CG 3.47Å; Q544-Q548 PolarHBondContact O-N 3.34Å |
| 545 | Q | 91.8 | Very high | 95.1 | Very high | 117 Ų | 117 | 104.4 Ų | 104.4 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 175.2 | -169.7 | -178.4 | 11.7 | 0 | 0 | 111.8 | L541 Q542 E543 Q548 N549 | L541-Q545 WeakPolarHBondContact O-CB 3.36Å; L541-Q545 PolarHBondContact O-N 3.47Å; Q542-Q545 PolarHBondContact O-N 3.45Å; E543-Q545 VanDerWaalsContact C-N 3.3Å; E543-Q545 PolarHBondContact O-N 3.42Å; Q545-Q548 PolarHBondContact O-N 2.89Å; Q545-N549 VanDerWaalsContact O-CB 3.32Å; Q545-N549 WeakPolarHBondContact O-CB 3.45Å; Q545-N549 PolarHBondContact O-N 3.46Å; Q545-N549 PolarHBondContact O-ND2 3.19Å |
| 546 | A | 96.7 | Very high | 94.9 | Very high | 57 Ų | 57 | 103.3 Ų | 103.3 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q542 E543 N549 R550 | Q542-A546 WeakPolarHBondContact O-CB 3.46Å; Q542-A546 PolarHBondContact O-N 2.9Å; E543-A546 PolarHBondContact O-N 3.36Å; E543-A546 VanDerWaalsContact O-N 3.14Å; A546-N549 PolarHBondContact O-N 2.89Å; A546-R550 WeakPolarHBondContact O-CB 3.35Å; A546-R550 PolarHBondContact O-N 3.46Å |
| 547 | L | 96.9 | Very high | 94.9 | Very high | 111 Ų | 111 | 100.8 Ų | 100.8 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 175 | -70.8 | 171 | 0 | 0 | 0 | 112 | E543 Q544 R550 A551 | E543-L547 HydrophobicContact CG-CD1 4.19Å; E543-L547 WeakPolarHBondContact O-CG 3.47Å; E543-L547 PolarHBondContact O-N 3.39Å; Q544-L547 PolarHBondContact O-N 3.27Å; L547-R550 PolarHBondContact O-N 2.93Å; L547-A551 WeakPolarHBondContact O-CB 3.39Å; L547-A551 PolarHBondContact O-N 3.26Å |
| 548 | Q | 91 | Very high | 94.9 | Very high | 121 Ų | 121 | 101.3 Ų | 101.3 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 174.6 | -74.5 | 179.9 | 10.6 | 0 | 0 | 112.1 | Q544 Q545 R550 A551 K552 | Q544-Q548 WeakPolarHBondContact O-CB 3.29Å; Q544-Q548 WeakPolarHBondContact O-CG 3.47Å; Q544-Q548 PolarHBondContact O-N 3.34Å; Q545-Q548 PolarHBondContact O-N 2.89Å; Q548-R550 VanDerWaalsContact C-N 3.32Å; Q548-R550 PolarHBondContact O-N 2.95Å; Q548-A551 PolarHBondContact O-N 2.86Å; Q548-K552 WeakPolarHBondContact O-CB 3.39Å; Q548-K552 PolarHBondContact O-N 2.93Å |
| 549 | N | 94.2 | Very high | 94.9 | Very high | 83 Ų | 83 | 98.6 Ų | 98.6 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 175.7 | -76.1 | -21.7 | 0 | 0 | 0 | 111.7 | Q545 A546 K552 Q553 | Q545-N549 VanDerWaalsContact O-CB 3.32Å; Q545-N549 WeakPolarHBondContact O-CB 3.45Å; Q545-N549 PolarHBondContact O-N 3.46Å; Q545-N549 PolarHBondContact O-ND2 3.19Å; A546-N549 PolarHBondContact O-N 2.89Å; N549-K552 WeakPolarHBondContact O-CB 3.25Å; N549-K552 PolarHBondContact O-N 2.96Å; N549-Q553 WeakPolarHBondContact O-CG 3.4Å; N549-Q553 PolarHBondContact O-N 2.89Å |
| 550 | R | 96.6 | Very high | 94.8 | Very high | 158 Ų | 158 | 100.5 Ų | 100.5 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.1 | -51.5 | 175.6 | -173.1 | -174.2 | 176.4 | 108.9 | 16.8 | 111.7 | A546 L547 Q548 K552 Q553 D554 | A546-R550 WeakPolarHBondContact O-CB 3.35Å; A546-R550 PolarHBondContact O-N 3.46Å; L547-R550 PolarHBondContact O-N 2.93Å; Q548-R550 VanDerWaalsContact C-N 3.32Å; Q548-R550 PolarHBondContact O-N 2.95Å; R550-K552 PolarHBondContact O-N 3.48Å; R550-Q553 WeakPolarHBondContact O-CB 3.36Å; R550-Q553 PolarHBondContact O-N 2.98Å; R550-D554 IonicContact NE-OD2 3.17Å; R550-D554 PolarHBondContact NE-OD2 3.43Å; R550-D554 PolarHBondContact O-N 3.37Å |
| 551 | A | 92.9 | Very high | 94.8 | Very high | 51 Ų | 51 | 102.1 Ų | 102.1 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -34.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L547 Q548 L555 | L547-A551 WeakPolarHBondContact O-CB 3.39Å; L547-A551 PolarHBondContact O-N 3.26Å; Q548-A551 PolarHBondContact O-N 2.86Å; A551-L555 WeakPolarHBondContact O-CB 3.44Å; A551-L555 VanDerWaalsContact O-CG 3.29Å; A551-L555 WeakPolarHBondContact O-CG 3.24Å; A551-L555 PolarHBondContact O-N 3.4Å; A551-L555 VanDerWaalsContact O-N 3.1Å |
| 552 | K | 93.3 | Very high | 94.8 | Very high | 112 Ų | 112 | 103.9 Ų | 103.9 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -48 | 170.6 | -173.5 | -169.7 | 174.8 | -99.5 | 0 | 111.9 | Q548 N549 R550 L555 E556 | Q548-K552 WeakPolarHBondContact O-CB 3.39Å; Q548-K552 PolarHBondContact O-N 2.93Å; N549-K552 WeakPolarHBondContact O-CB 3.25Å; N549-K552 PolarHBondContact O-N 2.96Å; R550-K552 PolarHBondContact O-N 3.48Å; K552-L555 PolarHBondContact O-N 2.88Å; K552-E556 VanDerWaalsContact CE-OE1 3.24Å; K552-E556 WeakPolarHBondContact CE-OE1 3.33Å; K552-E556 HydrophobicContact CG-CG 4.39Å; K552-E556 IonicContact NZ-OE1 3.61Å; K552-E556 PolarHBondContact NZ-OE1 3.33Å; K552-E556 IonicContact NZ-OE2 3.86Å; K552-E556 PolarHBondContact NZ-OE2 3.48Å; K552-E556 WeakPolarHBondContact O-CB 3.37Å; K552-E556 WeakPolarHBondContact O-CG 3.31Å; K552-E556 PolarHBondContact O-N 3.3Å |
| 553 | Q | 96.1 | Very high | 94.8 | Very high | 126 Ų | 126 | 104.2 Ų | 104.2 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -42.7 | 178.6 | -75.7 | 172.8 | -17.8 | 0 | 0 | 112.5 | N549 R550 L555 E556 A557 | N549-Q553 WeakPolarHBondContact O-CG 3.4Å; N549-Q553 PolarHBondContact O-N 2.89Å; R550-Q553 WeakPolarHBondContact O-CB 3.36Å; R550-Q553 PolarHBondContact O-N 2.98Å; Q553-L555 VanDerWaalsContact C-N 3.34Å; Q553-L555 PolarHBondContact O-N 3.48Å; Q553-E556 PolarHBondContact O-N 2.83Å; Q553-A557 WeakPolarHBondContact O-CB 3.31Å; Q553-A557 PolarHBondContact O-N 2.91Å |
| 554 | D | 94.9 | Very high | 94.9 | Very high | 81 Ų | 81 | 104.8 Ų | 104.8 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.9 | -67 | -33.1 | 0 | 0 | 0 | 110.2 | R550 A557 E558 | R550-D554 IonicContact NE-OD2 3.17Å; R550-D554 PolarHBondContact NE-OD2 3.43Å; R550-D554 PolarHBondContact O-N 3.37Å; D554-A557 PolarHBondContact O-N 3.47Å; D554-E558 PolarHBondContact O-N 2.88Å |
| 555 | L | 91.4 | Very high | 94.9 | Very high | 105 Ų | 105 | 104 Ų | 104 | 55% | 0.55 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -36.9 | 173.9 | -73.2 | 169.7 | 0 | 0 | 0 | 114 | A551 K552 Q553 A557 E558 V559 | A551-L555 WeakPolarHBondContact O-CB 3.44Å; A551-L555 VanDerWaalsContact O-CG 3.29Å; A551-L555 WeakPolarHBondContact O-CG 3.24Å; A551-L555 PolarHBondContact O-N 3.4Å; A551-L555 VanDerWaalsContact O-N 3.1Å; K552-L555 PolarHBondContact O-N 2.88Å; Q553-L555 VanDerWaalsContact C-N 3.34Å; Q553-L555 PolarHBondContact O-N 3.48Å; L555-A557 VanDerWaalsContact C-N 3.33Å; L555-E558 PolarHBondContact O-N 3.38Å; L555-V559 WeakPolarHBondContact O-CG2 3.45Å; L555-V559 PolarHBondContact O-N 2.88Å |
| 556 | E | 94.3 | Very high | 95 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 175.6 | -77.3 | 177.7 | 140.8 | 0 | 0 | 110.6 | K552 Q553 V559 E560 | K552-E556 VanDerWaalsContact CE-OE1 3.24Å; K552-E556 WeakPolarHBondContact CE-OE1 3.33Å; K552-E556 HydrophobicContact CG-CG 4.39Å; K552-E556 IonicContact NZ-OE1 3.61Å; K552-E556 PolarHBondContact NZ-OE1 3.33Å; K552-E556 IonicContact NZ-OE2 3.86Å; K552-E556 PolarHBondContact NZ-OE2 3.48Å; K552-E556 WeakPolarHBondContact O-CB 3.37Å; K552-E556 WeakPolarHBondContact O-CG 3.31Å; K552-E556 PolarHBondContact O-N 3.3Å; Q553-E556 PolarHBondContact O-N 2.83Å; E556-V559 PolarHBondContact O-N 2.87Å; E556-E560 WeakPolarHBondContact O-CG 3.47Å; E556-E560 PolarHBondContact O-N 3.31Å |
| 557 | A | 96.3 | Very high | 95 | Very high | 58 Ų | 58 | 106.7 Ų | 106.7 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q553 D554 L555 E560 R561 | Q553-A557 WeakPolarHBondContact O-CB 3.31Å; Q553-A557 PolarHBondContact O-N 2.91Å; D554-A557 PolarHBondContact O-N 3.47Å; L555-A557 VanDerWaalsContact C-N 3.33Å; A557-E560 PolarHBondContact O-N 2.94Å; A557-R561 WeakPolarHBondContact O-CB 3.35Å; A557-R561 PolarHBondContact O-N 3.38Å |
| 558 | E | 95.9 | Very high | 95.1 | Very high | 104 Ų | 104 | 108.2 Ų | 108.2 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 171.5 | -74.9 | -174.2 | 177.7 | 0 | 0 | 111.7 | D554 L555 E560 R561 Y562 | D554-E558 PolarHBondContact O-N 2.88Å; L555-E558 PolarHBondContact O-N 3.38Å; E558-E560 PolarHBondContact O-N 3.26Å; E558-R561 PolarHBondContact O-N 3.41Å; E558-Y562 HydrophobicContact CB-CE2 4.33Å; E558-Y562 WeakPolarHBondContact O-CD2 3.08Å; E558-Y562 PolarHBondContact O-N 2.84Å |
| 559 | V | 93.4 | Very high | 95.4 | Very high | 74 Ų | 74 | 107.5 Ų | 107.5 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 176.4 | 167 | 0 | 0 | 0 | 0 | 112 | L555 E556 K563 | L555-V559 WeakPolarHBondContact O-CG2 3.45Å; L555-V559 PolarHBondContact O-N 2.88Å; E556-V559 PolarHBondContact O-N 2.87Å; V559-K563 HydrophobicContact CG1-CD 4.37Å; V559-K563 VanDerWaalsContact O-CG 3.28Å; V559-K563 WeakPolarHBondContact O-CG 3.43Å; V559-K563 PolarHBondContact O-N 2.87Å; V559-K563 VanDerWaalsContact O-N 3.07Å |
| 560 | E | 96.6 | Very high | 95.5 | Very high | 115 Ų | 115 | 108.5 Ų | 108.5 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 172.5 | -75.6 | -173.8 | 176.5 | 0 | 0 | 112.4 | E556 A557 E558 K563 Q564 | E556-E560 WeakPolarHBondContact O-CG 3.47Å; E556-E560 PolarHBondContact O-N 3.31Å; A557-E560 PolarHBondContact O-N 2.94Å; E558-E560 PolarHBondContact O-N 3.26Å; E560-K563 PolarHBondContact O-N 2.89Å; E560-Q564 WeakPolarHBondContact O-CG 3.43Å; E560-Q564 PolarHBondContact O-N 3.48Å |
| 561 | R | 97 | Very high | 95.5 | Very high | 149 Ų | 149 | 104.3 Ų | 104.3 | 56% | 0.562 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -47.6 | 173.6 | -179.7 | -178.7 | 163.4 | -152.8 | -16.1 | 111.7 | A557 E558 K563 Q564 E565 | A557-R561 WeakPolarHBondContact O-CB 3.35Å; A557-R561 PolarHBondContact O-N 3.38Å; E558-R561 PolarHBondContact O-N 3.41Å; R561-K563 VanDerWaalsContact C-N 3.29Å; R561-K563 PolarHBondContact O-N 2.91Å; R561-Q564 PolarHBondContact O-N 3.48Å; R561-Q564 VanDerWaalsContact O-N 3.09Å; R561-E565 HydrophobicContact CG-CG 4.45Å; R561-E565 IonicContact CZ-OE1 2.75Å; R561-E565 IonicContact NE-OE1 3.98Å; R561-E565 PolarHBondContact NE-OE1 3.49Å; R561-E565 IonicContact NH2-OE1 2.64Å; R561-E565 PolarHBondContact NH2-OE1 3.38Å; R561-E565 IonicContact NH2-OE2 2.64Å; R561-E565 PolarHBondContact O-N 3.14Å |
| 562 | Y | 93.6 | Very high | 95.7 | Very high | 142 Ų | 142 | 106.7 Ų | 106.7 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -33.4 | 178.2 | -72 | -55.6 | 0 | 0 | 0 | 112.7 | E558 L566 | E558-Y562 HydrophobicContact CB-CE2 4.33Å; E558-Y562 WeakPolarHBondContact O-CD2 3.08Å; E558-Y562 PolarHBondContact O-N 2.84Å; Y562-L566 VanDerWaalsContact O-CB 3.32Å; Y562-L566 WeakPolarHBondContact O-CB 3.38Å; Y562-L566 PolarHBondContact O-N 2.87Å |
| 563 | K | 96.8 | Very high | 95.8 | Very high | 128 Ų | 128 | 107.4 Ų | 107.4 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 171.2 | -71.9 | 164.4 | -174.9 | 166.6 | 0 | 112 | V559 E560 R561 L566 Q567 | V559-K563 HydrophobicContact CG1-CD 4.37Å; V559-K563 VanDerWaalsContact O-CG 3.28Å; V559-K563 WeakPolarHBondContact O-CG 3.43Å; V559-K563 PolarHBondContact O-N 2.87Å; V559-K563 VanDerWaalsContact O-N 3.07Å; E560-K563 PolarHBondContact O-N 2.89Å; R561-K563 VanDerWaalsContact C-N 3.29Å; R561-K563 PolarHBondContact O-N 2.91Å; K563-L566 PolarHBondContact O-N 3.11Å; K563-Q567 WeakPolarHBondContact O-CB 3.42Å; K563-Q567 PolarHBondContact O-N 3.32Å |
| 564 | Q | 97.8 | Very high | 95.9 | Very high | 125 Ų | 125 | 106.4 Ų | 106.4 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.1 | -40.7 | 177.3 | -68.1 | 171 | 26.6 | 0 | 0 | 111.9 | E560 R561 Q567 Y568 | E560-Q564 WeakPolarHBondContact O-CG 3.43Å; E560-Q564 PolarHBondContact O-N 3.48Å; R561-Q564 PolarHBondContact O-N 3.48Å; R561-Q564 VanDerWaalsContact O-N 3.09Å; Q564-Q567 PolarHBondContact O-N 2.81Å; Q564-Y568 WeakPolarHBondContact O-CB 3.38Å; Q564-Y568 PolarHBondContact O-N 2.94Å |
| 565 | E | 96.1 | Very high | 96 | Very high | 76 Ų | 76 | 110.2 Ų | 110.2 | 36% | 0.355 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 175 | -71.4 | -180 | 178.3 | 0 | 0 | 111.8 | R561 Y568 L569 | R561-E565 HydrophobicContact CG-CG 4.45Å; R561-E565 IonicContact CZ-OE1 2.75Å; R561-E565 IonicContact NE-OE1 3.98Å; R561-E565 PolarHBondContact NE-OE1 3.49Å; R561-E565 IonicContact NH2-OE1 2.64Å; R561-E565 PolarHBondContact NH2-OE1 3.38Å; R561-E565 IonicContact NH2-OE2 2.64Å; R561-E565 PolarHBondContact O-N 3.14Å; E565-Y568 PolarHBondContact O-N 3.42Å; E565-L569 WeakPolarHBondContact O-CG 3.5Å; E565-L569 PolarHBondContact O-N 2.93Å; E565-L569 VanDerWaalsContact O-N 3.07Å |
| 566 | L | 93 | Very high | 96.3 | Very high | 103 Ų | 103 | 107.4 Ų | 107.4 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -51.3 | 173.3 | -172.8 | 77 | 0 | 0 | 0 | 111.2 | Y562 K563 Y568 L569 E570 | Y562-L566 VanDerWaalsContact O-CB 3.32Å; Y562-L566 WeakPolarHBondContact O-CB 3.38Å; Y562-L566 PolarHBondContact O-N 2.87Å; K563-L566 PolarHBondContact O-N 3.11Å; L566-Y568 VanDerWaalsContact C-N 3.29Å; L566-Y568 PolarHBondContact O-N 3.23Å; L566-L569 PolarHBondContact O-N 2.94Å; L566-L569 VanDerWaalsContact O-N 3.11Å; L566-E570 WeakPolarHBondContact O-CG 3.4Å; L566-E570 PolarHBondContact O-N 3.42Å |
| 567 | Q | 97.7 | Very high | 96.5 | Very high | 128 Ų | 128 | 108.9 Ų | 108.9 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.5 | -40.7 | 179.9 | -174.8 | 179.9 | 2.2 | 0 | 0 | 111.4 | K563 Q564 E570 D571 | K563-Q567 WeakPolarHBondContact O-CB 3.42Å; K563-Q567 PolarHBondContact O-N 3.32Å; Q564-Q567 PolarHBondContact O-N 2.81Å; Q567-E570 PolarHBondContact O-N 3.48Å; Q567-D571 WeakPolarHBondContact O-CB 3.4Å; Q567-D571 PolarHBondContact O-N 3.44Å |
| 568 | Y | 97.9 | Very high | 96.5 | Very high | 142 Ų | 142 | 111.4 Ų | 111.4 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 175.5 | 176.4 | -86 | 0 | 0 | 0 | 112 | Q564 E565 L566 D571 E572 | Q564-Y568 WeakPolarHBondContact O-CB 3.38Å; Q564-Y568 PolarHBondContact O-N 2.94Å; E565-Y568 PolarHBondContact O-N 3.42Å; L566-Y568 VanDerWaalsContact C-N 3.29Å; L566-Y568 PolarHBondContact O-N 3.23Å; Y568-D571 PolarHBondContact O-N 2.96Å; Y568-E572 HydrophobicContact CE1-CB 4.44Å; Y568-E572 VanDerWaalsContact CE1-OE2 3.26Å; Y568-E572 WeakPolarHBondContact CE1-OE2 3.29Å; Y568-E572 WeakPolarHBondContact O-CB 3.28Å; Y568-E572 PolarHBondContact O-N 3.43Å |
| 569 | L | 96.7 | Very high | 96.7 | Very high | 107 Ų | 107 | 110.8 Ų | 110.8 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.6 | -36.7 | 177.7 | -71 | 170.5 | 0 | 0 | 0 | 112.5 | E565 L566 H573 | E565-L569 WeakPolarHBondContact O-CG 3.5Å; E565-L569 PolarHBondContact O-N 2.93Å; E565-L569 VanDerWaalsContact O-N 3.07Å; L566-L569 PolarHBondContact O-N 2.94Å; L566-L569 VanDerWaalsContact O-N 3.11Å; L569-H573 VanDerWaalsContact O-CB 3.24Å; L569-H573 WeakPolarHBondContact O-CB 3.41Å; L569-H573 PolarHBondContact O-N 3.4Å |
| 570 | E | 96.1 | Very high | 96.8 | Very high | 103 Ų | 103 | 111.8 Ų | 111.8 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 171.5 | -72.2 | 178.5 | 163.7 | 0 | 0 | 110.8 | L566 Q567 H573 H574 | L566-E570 WeakPolarHBondContact O-CG 3.4Å; L566-E570 PolarHBondContact O-N 3.42Å; Q567-E570 PolarHBondContact O-N 3.48Å; E570-H573 PolarHBondContact O-N 3.45Å; E570-H574 WeakPolarHBondContact O-CB 3.41Å; E570-H574 PolarHBondContact O-CD2 3.33Å; E570-H574 PolarHBondContact O-N 2.85Å |
| 571 | D | 97.3 | Very high | 96.9 | Very high | 71 Ų | 71 | 112.3 Ų | 112.3 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 176.6 | -121.8 | 35.5 | 0 | 0 | 0 | 112.2 | Q567 Y568 H574 R575 | Q567-D571 WeakPolarHBondContact O-CB 3.4Å; Q567-D571 PolarHBondContact O-N 3.44Å; Y568-D571 PolarHBondContact O-N 2.96Å; D571-H574 PolarHBondContact O-N 2.97Å; D571-R575 WeakPolarHBondContact O-CB 3.47Å; D571-R575 WeakPolarHBondContact O-CD 3.45Å; D571-R575 WeakPolarHBondContact O-CG 3.37Å; D571-R575 PolarHBondContact O-N 2.83Å; D571-R575 IonicContact OD2-CZ 3.5Å; D571-R575 IonicContact OD2-NE 3.52Å; D571-R575 IonicContact OD2-NH2 2.75Å; D571-R575 PolarHBondContact OD2-NH2 3.46Å |
| 572 | E | 97.5 | Very high | 96.9 | Very high | 100 Ų | 100 | 108.1 Ų | 108.1 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 175.7 | -178.2 | 163.1 | -159 | 0 | 0 | 111.3 | Y568 R575 A576 | Y568-E572 HydrophobicContact CE1-CB 4.44Å; Y568-E572 VanDerWaalsContact CE1-OE2 3.26Å; Y568-E572 WeakPolarHBondContact CE1-OE2 3.29Å; Y568-E572 WeakPolarHBondContact O-CB 3.28Å; Y568-E572 PolarHBondContact O-N 3.43Å; E572-R575 PolarHBondContact O-N 3.4Å; E572-A576 WeakPolarHBondContact O-CB 3.37Å; E572-A576 PolarHBondContact O-N 3.45Å |
| 573 | H | 95.3 | Very high | 97.1 | Very high | 127 Ų | 127 | 108.3 Ų | 108.3 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -39.8 | 174.8 | 178.4 | -114.4 | 0 | 0 | 0 | 112.2 | L569 E570 A576 K577 | L569-H573 VanDerWaalsContact O-CB 3.24Å; L569-H573 WeakPolarHBondContact O-CB 3.41Å; L569-H573 PolarHBondContact O-N 3.4Å; E570-H573 PolarHBondContact O-N 3.45Å; H573-A576 PolarHBondContact O-N 3.07Å; H573-K577 WeakPolarHBondContact O-CB 3.45Å; H573-K577 PolarHBondContact O-N 2.67Å |
| 574 | H | 97.8 | Very high | 97.1 | Very high | 105 Ų | 105 | 106.9 Ų | 106.9 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 173 | -83 | -64.9 | 0 | 0 | 0 | 111.9 | E570 D571 K577 I578 | E570-H574 WeakPolarHBondContact O-CB 3.41Å; E570-H574 PolarHBondContact O-CD2 3.33Å; E570-H574 PolarHBondContact O-N 2.85Å; D571-H574 PolarHBondContact O-N 2.97Å; H574-K577 PolarHBondContact O-N 2.67Å; H574-I578 WeakPolarHBondContact O-CD1 3.26Å; H574-I578 VanDerWaalsContact O-CG1 3.27Å; H574-I578 WeakPolarHBondContact O-CG1 3.31Å; H574-I578 PolarHBondContact O-N 2.82Å |
| 575 | R | 97.9 | Very high | 97.1 | Very high | 162 Ų | 162 | 106.8 Ų | 106.8 | 61% | 0.611 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 175.2 | -68.7 | 164.1 | -163 | -158.9 | 7.5 | 111.7 | D571 E572 I578 N579 | D571-R575 WeakPolarHBondContact O-CB 3.47Å; D571-R575 WeakPolarHBondContact O-CD 3.45Å; D571-R575 WeakPolarHBondContact O-CG 3.37Å; D571-R575 PolarHBondContact O-N 2.83Å; D571-R575 IonicContact OD2-CZ 3.5Å; D571-R575 IonicContact OD2-NE 3.52Å; D571-R575 IonicContact OD2-NH2 2.75Å; D571-R575 PolarHBondContact OD2-NH2 3.46Å; E572-R575 PolarHBondContact O-N 3.4Å; R575-I578 PolarHBondContact O-N 3.23Å; R575-N579 WeakPolarHBondContact O-CB 3.35Å; R575-N579 PolarHBondContact O-N 3.41Å |
| 576 | A | 97.1 | Very high | 97.2 | Very high | 45 Ų | 45 | 107.4 Ų | 107.4 | 37% | 0.372 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E572 H573 I578 N579 L580 | E572-A576 WeakPolarHBondContact O-CB 3.37Å; E572-A576 PolarHBondContact O-N 3.45Å; H573-A576 PolarHBondContact O-N 3.07Å; A576-I578 PolarHBondContact O-N 3.46Å; A576-N579 PolarHBondContact O-N 3.34Å; A576-L580 WeakPolarHBondContact O-CG 3.49Å; A576-L580 PolarHBondContact O-N 3.35Å |
| 577 | K | 98 | Very high | 97.4 | Very high | 122 Ų | 122 | 110 Ų | 110 | 53% | 0.53 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 174.4 | -178.1 | 178.1 | 178.6 | 179.3 | 0 | 111.7 | H573 H574 L580 Q581 | H573-K577 WeakPolarHBondContact O-CB 3.45Å; H573-K577 PolarHBondContact O-N 2.67Å; H574-K577 PolarHBondContact O-N 2.67Å; K577-L580 PolarHBondContact O-N 2.88Å; K577-Q581 VanDerWaalsContact O-CB 3.26Å; K577-Q581 WeakPolarHBondContact O-CB 3.48Å; K577-Q581 PolarHBondContact O-N 2.95Å |
| 578 | I | 98.1 | Very high | 97.4 | Very high | 112 Ų | 112 | 109.4 Ų | 109.4 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -42.3 | 177.3 | -68.9 | 164.2 | 0 | 0 | 0 | 111 | H574 R575 A576 Q581 S582 | H574-I578 WeakPolarHBondContact O-CD1 3.26Å; H574-I578 VanDerWaalsContact O-CG1 3.27Å; H574-I578 WeakPolarHBondContact O-CG1 3.31Å; H574-I578 PolarHBondContact O-N 2.82Å; R575-I578 PolarHBondContact O-N 3.23Å; A576-I578 PolarHBondContact O-N 3.46Å; I578-Q581 PolarHBondContact O-N 3.07Å; I578-S582 PolarHBondContact O-N 3.01Å |
| 579 | N | 98.1 | Very high | 97.4 | Very high | 91 Ų | 91 | 105.8 Ų | 105.8 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 177 | -173.9 | -90.6 | 0 | 0 | 0 | 112.3 | R575 A576 S582 R583 | R575-N579 WeakPolarHBondContact O-CB 3.35Å; R575-N579 PolarHBondContact O-N 3.41Å; A576-N579 PolarHBondContact O-N 3.34Å; N579-S582 PolarHBondContact O-N 2.86Å; N579-R583 WeakPolarHBondContact O-CG 3.23Å; N579-R583 PolarHBondContact O-N 2.9Å; N579-R583 WeakPolarHBondContact OD1-CD 3.37Å |
| 580 | L | 97 | Very high | 97.5 | Very high | 95 Ų | 95 | 105.3 Ų | 105.3 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 176.8 | -69.5 | 174.2 | 0 | 0 | 0 | 111.6 | A576 K577 R583 I584 | A576-L580 WeakPolarHBondContact O-CG 3.49Å; A576-L580 PolarHBondContact O-N 3.35Å; K577-L580 PolarHBondContact O-N 2.88Å; L580-R583 PolarHBondContact O-N 3.23Å; L580-I584 VanDerWaalsContact O-CG1 3.29Å; L580-I584 WeakPolarHBondContact O-CG1 3.45Å; L580-I584 PolarHBondContact O-N 2.9Å |
| 581 | Q | 97.8 | Very high | 97.5 | Very high | 125 Ų | 125 | 104.2 Ų | 104.2 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -39.8 | 176.6 | -172.9 | 173.1 | -3.5 | 0 | 0 | 112.1 | K577 I578 I584 K585 | K577-Q581 VanDerWaalsContact O-CB 3.26Å; K577-Q581 WeakPolarHBondContact O-CB 3.48Å; K577-Q581 PolarHBondContact O-N 2.95Å; I578-Q581 PolarHBondContact O-N 3.07Å; Q581-I584 PolarHBondContact O-N 3.07Å; Q581-K585 PolarHBondContact O-N 2.99Å |
| 582 | S | 97.8 | Very high | 97.5 | Very high | 61 Ų | 61 | 105.1 Ų | 105.1 | 43% | 0.427 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 171 | -168.6 | 0 | 0 | 0 | 0 | 110.9 | I578 N579 I584 K585 D586 | I578-S582 PolarHBondContact O-N 3.01Å; N579-S582 PolarHBondContact O-N 2.86Å; S582-I584 VanDerWaalsContact C-N 3.28Å; S582-I584 PolarHBondContact O-N 3.41Å; S582-K585 CarbonylContact O-C 3.5Å; S582-K585 WeakPolarHBondContact O-CA 3.46Å; S582-K585 WeakPolarHBondContact O-CB 3.44Å; S582-K585 PolarHBondContact O-N 2.83Å; S582-K585 VanDerWaalsContact O-N 3.07Å; S582-D586 PolarHBondContact O-N 2.94Å; S582-D586 VanDerWaalsContact O-OD2 3.06Å |
| 583 | R | 97.8 | Very high | 97.4 | Very high | 146 Ų | 146 | 106.5 Ų | 106.5 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -29.1 | -179.2 | -71.4 | 173.8 | 61 | -162 | -4.5 | 113.7 | N579 L580 R587 | N579-R583 WeakPolarHBondContact O-CG 3.23Å; N579-R583 PolarHBondContact O-N 2.9Å; N579-R583 WeakPolarHBondContact OD1-CD 3.37Å; L580-R583 PolarHBondContact O-N 3.23Å; R583-R587 VanDerWaalsContact O-CG 3.3Å; R583-R587 WeakPolarHBondContact O-CG 3.36Å; R583-R587 PolarHBondContact O-N 2.78Å |
| 584 | I | 97.1 | Very high | 97.5 | Very high | 99 Ų | 99 | 105 Ų | 105 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -52 | 170.3 | -72.5 | 163.6 | 0 | 0 | 0 | 108.9 | L580 Q581 S582 D586 R587 E588 | L580-I584 VanDerWaalsContact O-CG1 3.29Å; L580-I584 WeakPolarHBondContact O-CG1 3.45Å; L580-I584 PolarHBondContact O-N 2.9Å; Q581-I584 PolarHBondContact O-N 3.07Å; S582-I584 VanDerWaalsContact C-N 3.28Å; S582-I584 PolarHBondContact O-N 3.41Å; I584-D586 VanDerWaalsContact C-N 3.35Å; I584-D586 PolarHBondContact O-N 3.26Å; I584-R587 CarbonylContact O-C 3.51Å; I584-R587 WeakPolarHBondContact O-CA 3.24Å; I584-R587 WeakPolarHBondContact O-CB 3.37Å; I584-R587 PolarHBondContact O-N 3.19Å; I584-E588 HydrophobicContact CG2-CG 4.3Å; I584-E588 WeakPolarHBondContact O-CG 3.42Å; I584-E588 PolarHBondContact O-N 2.95Å |
| 585 | K | 98.2 | Very high | 97.3 | Very high | 122 Ų | 122 | 107 Ų | 107 | 53% | 0.53 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.7 | -43.8 | 177.7 | -172.9 | -172.1 | 172.1 | -171.5 | 0 | 112.7 | Q581 S582 R587 E588 D589 | Q581-K585 PolarHBondContact O-N 2.99Å; S582-K585 CarbonylContact O-C 3.5Å; S582-K585 WeakPolarHBondContact O-CA 3.46Å; S582-K585 WeakPolarHBondContact O-CB 3.44Å; S582-K585 PolarHBondContact O-N 2.83Å; S582-K585 VanDerWaalsContact O-N 3.07Å; K585-R587 PolarHBondContact O-N 3.29Å; K585-E588 PolarHBondContact O-N 3.16Å; K585-E588 VanDerWaalsContact O-N 3.1Å; K585-D589 WeakPolarHBondContact O-CB 3.33Å; K585-D589 PolarHBondContact O-N 2.62Å |
| 586 | D | 97.9 | Very high | 97 | Very high | 89 Ų | 89 | 103.2 Ų | 103.2 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57 | -35.9 | 177.4 | -64 | -40.5 | 0 | 0 | 0 | 111.5 | S582 I584 E590 | S582-D586 PolarHBondContact O-N 2.94Å; S582-D586 VanDerWaalsContact O-OD2 3.06Å; I584-D586 VanDerWaalsContact C-N 3.35Å; I584-D586 PolarHBondContact O-N 3.26Å; D586-E590 WeakPolarHBondContact O-CB 3.34Å; D586-E590 PolarHBondContact O-N 2.85Å |
| 587 | R | 96.8 | Very high | 96.8 | Very high | 159 Ų | 159 | 107 Ų | 107 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -80.3 | -32.9 | 176.3 | -68.8 | -64.5 | -175.1 | 77.6 | -4.8 | 113.4 | R583 I584 K585 E590 I591 | R583-R587 VanDerWaalsContact O-CG 3.3Å; R583-R587 WeakPolarHBondContact O-CG 3.36Å; R583-R587 PolarHBondContact O-N 2.78Å; I584-R587 CarbonylContact O-C 3.51Å; I584-R587 WeakPolarHBondContact O-CA 3.24Å; I584-R587 WeakPolarHBondContact O-CB 3.37Å; I584-R587 PolarHBondContact O-N 3.19Å; K585-R587 PolarHBondContact O-N 3.29Å; R587-E590 WeakPolarHBondContact CD-OE2 3.5Å; R587-E590 IonicContact NE-OE2 2.68Å; R587-E590 PolarHBondContact O-N 3.24Å; R587-I591 WeakPolarHBondContact O-CB 3.36Å; R587-I591 WeakPolarHBondContact O-CD1 3.45Å; R587-I591 WeakPolarHBondContact O-CG1 3.48Å; R587-I591 PolarHBondContact O-N 2.89Å |
| 588 | E | 97.9 | Very high | 96.2 | Very high | 114 Ų | 114 | 106.9 Ų | 106.9 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 170.4 | -69.4 | 171 | 157.2 | 0 | 0 | 110.6 | I584 K585 I591 Q592 | I584-E588 HydrophobicContact CG2-CG 4.3Å; I584-E588 WeakPolarHBondContact O-CG 3.42Å; I584-E588 PolarHBondContact O-N 2.95Å; K585-E588 PolarHBondContact O-N 3.16Å; K585-E588 VanDerWaalsContact O-N 3.1Å; E588-I591 PolarHBondContact O-N 3.48Å; E588-Q592 VanDerWaalsContact O-CB 3.29Å; E588-Q592 WeakPolarHBondContact O-CB 3.47Å; E588-Q592 PolarHBondContact O-N 3Å |
| 589 | D | 97.8 | Very high | 95.6 | Very high | 67 Ų | 67 | 105.1 Ų | 105.1 | 36% | 0.358 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 173.6 | -79.4 | -25.2 | 0 | 0 | 0 | 111.9 | K585 K593 | K585-D589 WeakPolarHBondContact O-CB 3.33Å; K585-D589 PolarHBondContact O-N 2.62Å; D589-K593 WeakPolarHBondContact O-CB 3.4Å; D589-K593 VanDerWaalsContact O-CD 3.26Å; D589-K593 WeakPolarHBondContact O-CD 3.46Å; D589-K593 WeakPolarHBondContact O-CG 3.4Å; D589-K593 PolarHBondContact O-N 3.23Å |
| 590 | E | 97.6 | Very high | 94.9 | Very high | 96 Ų | 96 | 105.2 Ų | 105.2 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -48.1 | 172.3 | -176 | 173.4 | -146.3 | 0 | 0 | 111.9 | D586 R587 Q592 K593 L594 | D586-E590 WeakPolarHBondContact O-CB 3.34Å; D586-E590 PolarHBondContact O-N 2.85Å; R587-E590 WeakPolarHBondContact CD-OE2 3.5Å; R587-E590 IonicContact NE-OE2 2.68Å; R587-E590 PolarHBondContact O-N 3.24Å; E590-Q592 VanDerWaalsContact C-N 3.29Å; E590-Q592 PolarHBondContact O-N 3.37Å; E590-K593 WeakPolarHBondContact O-CB 3.43Å; E590-K593 PolarHBondContact O-N 2.99Å; E590-L594 HydrophobicContact CG-CD1 4.25Å; E590-L594 WeakPolarHBondContact O-CG 3.44Å; E590-L594 PolarHBondContact O-N 3.38Å |
| 591 | I | 96.8 | Very high | 94.2 | Very high | 81 Ų | 81 | 108.4 Ų | 108.4 | 42% | 0.415 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 175.5 | -72.3 | 163.8 | 0 | 0 | 0 | 110.6 | R587 E588 L594 R595 | R587-I591 WeakPolarHBondContact O-CB 3.36Å; R587-I591 WeakPolarHBondContact O-CD1 3.45Å; R587-I591 WeakPolarHBondContact O-CG1 3.48Å; R587-I591 PolarHBondContact O-N 2.89Å; E588-I591 PolarHBondContact O-N 3.48Å; I591-L594 PolarHBondContact O-N 3.43Å; I591-R595 HydrophobicContact CG2-CG 4.49Å; I591-R595 WeakPolarHBondContact O-CB 3.33Å; I591-R595 VanDerWaalsContact O-CG 3.31Å; I591-R595 WeakPolarHBondContact O-CG 3.44Å; I591-R595 PolarHBondContact O-N 2.85Å |
| 592 | Q | 96.9 | Very high | 93 | Very high | 89 Ų | 89 | 107.4 Ų | 107.4 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.2 | -35.6 | 178.6 | -162.5 | 68.6 | -3.6 | 0 | 0 | 111.9 | E588 E590 R595 N596 | E588-Q592 VanDerWaalsContact O-CB 3.29Å; E588-Q592 WeakPolarHBondContact O-CB 3.47Å; E588-Q592 PolarHBondContact O-N 3Å; E590-Q592 VanDerWaalsContact C-N 3.29Å; E590-Q592 PolarHBondContact O-N 3.37Å; Q592-R595 VanDerWaalsContact OE1-NH1 3.14Å; Q592-N596 VanDerWaalsContact O-CB 3.32Å; Q592-N596 WeakPolarHBondContact O-CB 3.43Å; Q592-N596 PolarHBondContact O-N 2.99Å; Q592-N596 PolarHBondContact O-OD1 3.36Å |
| 593 | K | 96.8 | Very high | 91.4 | Very high | 129 Ų | 129 | 110.8 Ų | 110.8 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 168.9 | -73.4 | 158.2 | -167.2 | 157.4 | 0 | 111.5 | D589 E590 N596 Q597 | D589-K593 WeakPolarHBondContact O-CB 3.4Å; D589-K593 VanDerWaalsContact O-CD 3.26Å; D589-K593 WeakPolarHBondContact O-CD 3.46Å; D589-K593 WeakPolarHBondContact O-CG 3.4Å; D589-K593 PolarHBondContact O-N 3.23Å; E590-K593 WeakPolarHBondContact O-CB 3.43Å; E590-K593 PolarHBondContact O-N 2.99Å; K593-N596 PolarHBondContact O-N 2.99Å; K593-Q597 WeakPolarHBondContact O-CB 3.38Å; K593-Q597 VanDerWaalsContact O-CG 3.31Å; K593-Q597 WeakPolarHBondContact O-CG 3.29Å; K593-Q597 PolarHBondContact O-N 3.32Å |
| 594 | L | 95.7 | Very high | 89.6 | Confident | 96 Ų | 96 | 107.5 Ų | 107.5 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 177.9 | -70.7 | 170.5 | 0 | 0 | 0 | 112.3 | E590 I591 Q597 L598 | E590-L594 HydrophobicContact CG-CD1 4.25Å; E590-L594 WeakPolarHBondContact O-CG 3.44Å; E590-L594 PolarHBondContact O-N 3.38Å; I591-L594 PolarHBondContact O-N 3.43Å; L594-Q597 PolarHBondContact O-N 3.4Å; L594-L598 WeakPolarHBondContact O-CB 3.17Å; L594-L598 PolarHBondContact O-N 2.9Å |
| 595 | R | 93.6 | Very high | 87.8 | Confident | 146 Ų | 146 | 104.6 Ų | 104.6 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.4 | -48.4 | 170.5 | -75.9 | 169.3 | 176.4 | 162.8 | -0.5 | 111.4 | I591 Q592 Q597 L598 T599 | I591-R595 HydrophobicContact CG2-CG 4.49Å; I591-R595 WeakPolarHBondContact O-CB 3.33Å; I591-R595 VanDerWaalsContact O-CG 3.31Å; I591-R595 WeakPolarHBondContact O-CG 3.44Å; I591-R595 PolarHBondContact O-N 2.85Å; Q592-R595 VanDerWaalsContact OE1-NH1 3.14Å; R595-Q597 VanDerWaalsContact C-N 3.31Å; R595-Q597 PolarHBondContact O-N 2.76Å; R595-L598 PolarHBondContact O-N 2.83Å; R595-T599 WeakPolarHBondContact O-CB 3.41Å; R595-T599 PolarHBondContact O-N 3.43Å; R595-T599 PolarHBondContact O-OG1 3.16Å; R595-T599 VanDerWaalsContact O-OG1 3.14Å |
| 596 | N | 92.6 | Very high | 86 | Confident | 83 Ų | 83 | 102 Ų | 102 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 177.8 | -71.4 | -4.2 | 0 | 0 | 0 | 111.7 | Q592 K593 N600 | Q592-N596 VanDerWaalsContact O-CB 3.32Å; Q592-N596 WeakPolarHBondContact O-CB 3.43Å; Q592-N596 PolarHBondContact O-N 2.99Å; Q592-N596 PolarHBondContact O-OD1 3.36Å; K593-N596 PolarHBondContact O-N 2.99Å; N596-N600 WeakPolarHBondContact O-CB 3.37Å; N596-N600 PolarHBondContact O-N 2.94Å; N596-N600 PolarHBondContact O-ND2 3Å; N596-N600 PolarHBondContact O-OD1 3.31Å |
| 597 | Q | 92.3 | Very high | 84.3 | Confident | 126 Ų | 126 | 101.5 Ų | 101.5 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -41.2 | 172.2 | -76.8 | 176.1 | 6.5 | 0 | 0 | 112.2 | K593 L594 R595 K601 | K593-Q597 WeakPolarHBondContact O-CB 3.38Å; K593-Q597 VanDerWaalsContact O-CG 3.31Å; K593-Q597 WeakPolarHBondContact O-CG 3.29Å; K593-Q597 PolarHBondContact O-N 3.32Å; L594-Q597 PolarHBondContact O-N 3.4Å; R595-Q597 VanDerWaalsContact C-N 3.31Å; R595-Q597 PolarHBondContact O-N 2.76Å; Q597-K601 WeakPolarHBondContact O-CB 3.18Å; Q597-K601 PolarHBondContact O-N 2.93Å |
| 598 | L | 85 | Confident | 83.2 | Confident | 118 Ų | 118 | 98.9 Ų | 98.9 | 62% | 0.618 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -50.8 | 176.5 | -173.2 | 66.5 | 0 | 0 | 0 | 110.9 | L594 R595 N600 K601 T602 | L594-L598 WeakPolarHBondContact O-CB 3.17Å; L594-L598 PolarHBondContact O-N 2.9Å; R595-L598 PolarHBondContact O-N 2.83Å; L598-N600 PolarHBondContact O-N 2.87Å; L598-K601 PolarHBondContact O-N 3.42Å; L598-K601 VanDerWaalsContact O-N 3.15Å; L598-T602 PolarHBondContact O-N 3.13Å; L598-T602 PolarHBondContact O-OG1 3.19Å; L598-T602 VanDerWaalsContact O-OG1 3.11Å |
| 599 | T | 87.2 | Confident | 82 | Confident | 76 Ų | 76 | 96.4 Ų | 96.4 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.9 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | R595 K601 T602 L603 | R595-T599 WeakPolarHBondContact O-CB 3.41Å; R595-T599 PolarHBondContact O-N 3.43Å; R595-T599 PolarHBondContact O-OG1 3.16Å; R595-T599 VanDerWaalsContact O-OG1 3.14Å; T599-K601 VanDerWaalsContact C-N 3.3Å; T599-K601 PolarHBondContact O-N 2.89Å; T599-T602 PolarHBondContact O-N 2.77Å; T599-L603 HydrophobicContact CG2-CD1 3.95Å; T599-L603 WeakPolarHBondContact O-CB 3.49Å; T599-L603 WeakPolarHBondContact O-CG 3.24Å; T599-L603 PolarHBondContact O-N 3.39Å |
| 600 | N | 82.4 | Confident | 80.9 | Confident | 93 Ų | 93 | 97.1 Ų | 97.1 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -31.7 | 176.5 | -71.7 | -4.3 | 0 | 0 | 0 | 112.1 | N596 L598 L603 S604 | N596-N600 WeakPolarHBondContact O-CB 3.37Å; N596-N600 PolarHBondContact O-N 2.94Å; N596-N600 PolarHBondContact O-ND2 3Å; N596-N600 PolarHBondContact O-OD1 3.31Å; L598-N600 PolarHBondContact O-N 2.87Å; N600-L603 PolarHBondContact O-N 2.94Å; N600-S604 VanDerWaalsContact O-CB 3.22Å; N600-S604 WeakPolarHBondContact O-CB 3.4Å; N600-S604 PolarHBondContact O-N 3.02Å; N600-S604 PolarHBondContact O-OG 3Å |
| 601 | K | 82.1 | Confident | 80 | Confident | 162 Ų | 162 | 98 Ų | 98 | 70% | 0.704 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71 | -38 | 174.6 | -173.6 | 175.9 | 179.8 | -178.1 | 0 | 111.7 | Q597 L598 T599 S604 | Q597-K601 WeakPolarHBondContact O-CB 3.18Å; Q597-K601 PolarHBondContact O-N 2.93Å; L598-K601 PolarHBondContact O-N 3.42Å; L598-K601 VanDerWaalsContact O-N 3.15Å; T599-K601 VanDerWaalsContact C-N 3.3Å; T599-K601 PolarHBondContact O-N 2.89Å; K601-S604 PolarHBondContact O-N 3.12Å |
| 602 | T | 72.2 | Confident | 79.3 | Confident | 104 Ų | 104 | 98.5 Ų | 98.5 | 64% | 0.638 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.8 | -37.5 | 171.5 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | L598 T599 S605 | L598-T602 PolarHBondContact O-N 3.13Å; L598-T602 PolarHBondContact O-OG1 3.19Å; L598-T602 VanDerWaalsContact O-OG1 3.11Å; T599-T602 PolarHBondContact O-N 2.77Å; T602-S605 WeakPolarHBondContact O-CB 3.39Å |
| 603 | L | 63.8 | Low | 78.7 | Confident | 132 Ų | 132 | 98.8 Ų | 98.8 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.8 | -28.7 | 172.8 | -70.1 | 168.3 | 0 | 0 | 0 | 112.6 | T599 N600 S605 | T599-L603 HydrophobicContact CG2-CD1 3.95Å; T599-L603 WeakPolarHBondContact O-CB 3.49Å; T599-L603 WeakPolarHBondContact O-CG 3.24Å; T599-L603 PolarHBondContact O-N 3.39Å; N600-L603 PolarHBondContact O-N 2.94Å; L603-S605 PolarHBondContact O-N 3.21Å |
| 604 | S | 61.8 | Low | 78.2 | Confident | 77 Ų | 77 | 99.6 Ų | 99.6 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 31.6 | 172 | -56.2 | 0 | 0 | 0 | 0 | 112.7 | N600 K601 S606 | N600-S604 VanDerWaalsContact O-CB 3.22Å; N600-S604 WeakPolarHBondContact O-CB 3.4Å; N600-S604 PolarHBondContact O-N 3.02Å; N600-S604 PolarHBondContact O-OG 3Å; K601-S604 PolarHBondContact O-N 3.12Å; S604-S606 PolarHBondContact O-N 3.27Å |
| 605 | S | 57.9 | Low | 77.8 | Confident | 37 Ų | 37 | 100.1 Ų | 100.1 | 26% | 0.259 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 19.7 | 172.6 | -161.5 | 0 | 0 | 0 | 0 | 112.8 | T602 L603 S607 Q608 T609 | T602-S605 WeakPolarHBondContact O-CB 3.39Å; L603-S605 PolarHBondContact O-N 3.21Å; S605-S607 VanDerWaalsContact C-N 3.29Å; S605-S607 PolarHBondContact O-N 2.91Å; S605-Q608 PolarHBondContact O-N 3.45Å; S605-Q608 WeakPolarHBondContact OG-CB 3.23Å; S605-T609 WeakPolarHBondContact O-CB 3.41Å; S605-T609 WeakPolarHBondContact O-CG2 3.5Å; S605-T609 PolarHBondContact O-N 2.85Å; S605-T609 PolarHBondContact O-OG1 2.89Å |
| 606 | S | 60.4 | Low | 77.5 | Confident | 68 Ų | 68 | 99.6 Ų | 99.6 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 171.4 | 98.1 | 0 | 0 | 0 | 0 | 109.5 | S604 Q608 T609 E610 | S604-S606 PolarHBondContact O-N 3.27Å; S606-Q608 VanDerWaalsContact C-N 3.3Å; S606-Q608 PolarHBondContact O-N 3.47Å; S606-T609 WeakPolarHBondContact CA-OG1 3.46Å; S606-T609 PolarHBondContact O-N 3.05Å; S606-T609 PolarHBondContact O-OG1 2.89Å; S606-E610 VanDerWaalsContact C-OE1 3.32Å; S606-E610 WeakPolarHBondContact CB-OE1 3.38Å; S606-E610 WeakPolarHBondContact O-CA 3.39Å; S606-E610 WeakPolarHBondContact O-CB 3.45Å; S606-E610 WeakPolarHBondContact O-CG 3.45Å; S606-E610 PolarHBondContact O-N 3.16Å; S606-E610 PolarHBondContact OG-OE1 2.96Å |
| 607 | S | 63.6 | Low | 77.5 | Confident | 79 Ų | 79 | 101.3 Ų | 101.3 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -31.1 | 179.7 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | S605 L611 | S605-S607 VanDerWaalsContact C-N 3.29Å; S605-S607 PolarHBondContact O-N 2.91Å; S607-L611 WeakPolarHBondContact O-CB 3.5Å; S607-L611 PolarHBondContact O-N 3.41Å; S607-L611 VanDerWaalsContact O-N 3.15Å |
| 608 | Q | 72.3 | Confident | 77.4 | Confident | 104 Ų | 104 | 101.1 Ų | 101.1 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -78.9 | -45.4 | 173.7 | 171 | 172.9 | -16.3 | 0 | 0 | 111.5 | S605 S606 E610 L611 E612 | S605-Q608 PolarHBondContact O-N 3.45Å; S605-Q608 WeakPolarHBondContact OG-CB 3.23Å; S606-Q608 VanDerWaalsContact C-N 3.3Å; S606-Q608 PolarHBondContact O-N 3.47Å; Q608-E610 VanDerWaalsContact C-N 3.31Å; Q608-E610 PolarHBondContact O-N 3.05Å; Q608-L611 CarbonylContact O-C 3.6Å; Q608-L611 WeakPolarHBondContact O-CA 3.41Å; Q608-L611 VanDerWaalsContact O-CB 3.27Å; Q608-L611 WeakPolarHBondContact O-CB 3.37Å; Q608-L611 PolarHBondContact O-N 2.87Å; Q608-E612 HydrophobicContact CG-CG 4.42Å; Q608-E612 VanDerWaalsContact CG-OE1 3.27Å; Q608-E612 WeakPolarHBondContact CG-OE1 3.43Å; Q608-E612 PolarHBondContact NE2-OE1 2.97Å; Q608-E612 WeakPolarHBondContact O-CG 3.49Å; Q608-E612 PolarHBondContact O-N 3.43Å |
| 609 | T | 74.1 | Confident | 77.6 | Confident | 61 Ų | 61 | 98.3 Ų | 98.3 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.1 | -29 | 176.7 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | S605 S606 N613 | S605-T609 WeakPolarHBondContact O-CB 3.41Å; S605-T609 WeakPolarHBondContact O-CG2 3.5Å; S605-T609 PolarHBondContact O-N 2.85Å; S605-T609 PolarHBondContact O-OG1 2.89Å; S606-T609 WeakPolarHBondContact CA-OG1 3.46Å; S606-T609 PolarHBondContact O-N 3.05Å; S606-T609 PolarHBondContact O-OG1 2.89Å; T609-N613 WeakPolarHBondContact O-CB 3.48Å; T609-N613 PolarHBondContact O-N 3.31Å; T609-N613 PolarHBondContact O-ND2 3.48Å |
| 610 | E | 73.7 | Confident | 77.9 | Confident | 83 Ų | 83 | 101.1 Ų | 101.1 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | 167.1 | -73.9 | 166.9 | -124.9 | 0 | 0 | 111.9 | S606 Q608 R614 | S606-E610 VanDerWaalsContact C-OE1 3.32Å; S606-E610 WeakPolarHBondContact CB-OE1 3.38Å; S606-E610 WeakPolarHBondContact O-CA 3.39Å; S606-E610 WeakPolarHBondContact O-CB 3.45Å; S606-E610 WeakPolarHBondContact O-CG 3.45Å; S606-E610 PolarHBondContact O-N 3.16Å; S606-E610 PolarHBondContact OG-OE1 2.96Å; Q608-E610 VanDerWaalsContact C-N 3.31Å; Q608-E610 PolarHBondContact O-N 3.05Å; E610-R614 VanDerWaalsContact O-CB 3.29Å; E610-R614 WeakPolarHBondContact O-CB 3.38Å; E610-R614 VanDerWaalsContact O-CG 3.23Å; E610-R614 WeakPolarHBondContact O-CG 3.48Å; E610-R614 PolarHBondContact O-N 3.25Å; E610-R614 IonicContact OE2-NH1 3.41Å |
| 611 | L | 79.1 | Confident | 78.3 | Confident | 114 Ų | 114 | 99.7 Ų | 99.7 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.7 | -46.4 | 172.2 | -103.7 | 162.2 | 0 | 0 | 0 | 111 | S607 Q608 R614 L615 | S607-L611 WeakPolarHBondContact O-CB 3.5Å; S607-L611 PolarHBondContact O-N 3.41Å; S607-L611 VanDerWaalsContact O-N 3.15Å; Q608-L611 CarbonylContact O-C 3.6Å; Q608-L611 WeakPolarHBondContact O-CA 3.41Å; Q608-L611 VanDerWaalsContact O-CB 3.27Å; Q608-L611 WeakPolarHBondContact O-CB 3.37Å; Q608-L611 PolarHBondContact O-N 2.87Å; L611-R614 PolarHBondContact O-N 3.47Å; L611-L615 VanDerWaalsContact O-CB 3.24Å; L611-L615 WeakPolarHBondContact O-CB 3.4Å; L611-L615 PolarHBondContact O-N 3.16Å |
| 612 | E | 82.4 | Confident | 78.8 | Confident | 92 Ų | 92 | 97.3 Ų | 97.3 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176.2 | -71.2 | 164.3 | -177 | 0 | 0 | 111 | Q608 L615 H616 | Q608-E612 HydrophobicContact CG-CG 4.42Å; Q608-E612 VanDerWaalsContact CG-OE1 3.27Å; Q608-E612 WeakPolarHBondContact CG-OE1 3.43Å; Q608-E612 PolarHBondContact NE2-OE1 2.97Å; Q608-E612 WeakPolarHBondContact O-CG 3.49Å; Q608-E612 PolarHBondContact O-N 3.43Å; E612-L615 PolarHBondContact O-N 3.47Å; E612-H616 WeakPolarHBondContact O-CB 3.34Å; E612-H616 PolarHBondContact O-N 3.01Å |
| 613 | N | 84.3 | Confident | 79.7 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 173.2 | -79.1 | -42.3 | 0 | 0 | 0 | 112.6 | T609 L615 H616 Q617 | T609-N613 WeakPolarHBondContact O-CB 3.48Å; T609-N613 PolarHBondContact O-N 3.31Å; T609-N613 PolarHBondContact O-ND2 3.48Å; N613-L615 VanDerWaalsContact C-N 3.31Å; N613-L615 PolarHBondContact O-N 3.47Å; N613-H616 PolarHBondContact O-N 3.25Å; N613-Q617 WeakPolarHBondContact O-CB 3.18Å; N613-Q617 VanDerWaalsContact O-CG 3.32Å; N613-Q617 WeakPolarHBondContact O-CG 3.4Å; N613-Q617 PolarHBondContact O-N 2.88Å |
| 614 | R | 84.9 | Confident | 81.1 | Confident | 145 Ų | 145 | 97.1 Ų | 97.1 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -35.8 | 172.9 | -79.5 | 177.5 | -178.8 | 119.1 | 4.2 | 112 | E610 L611 L618 | E610-R614 VanDerWaalsContact O-CB 3.29Å; E610-R614 WeakPolarHBondContact O-CB 3.38Å; E610-R614 VanDerWaalsContact O-CG 3.23Å; E610-R614 WeakPolarHBondContact O-CG 3.48Å; E610-R614 PolarHBondContact O-N 3.25Å; E610-R614 IonicContact OE2-NH1 3.41Å; L611-R614 PolarHBondContact O-N 3.47Å; R614-L618 WeakPolarHBondContact O-CB 3.18Å; R614-L618 PolarHBondContact O-N 3.28Å |
| 615 | L | 87.6 | Confident | 82.6 | Confident | 107 Ų | 107 | 100.2 Ų | 100.2 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.6 | -46.6 | 177 | -161.6 | 164.1 | 0 | 0 | 0 | 109.8 | L611 E612 N613 L618 T619 | L611-L615 VanDerWaalsContact O-CB 3.24Å; L611-L615 WeakPolarHBondContact O-CB 3.4Å; L611-L615 PolarHBondContact O-N 3.16Å; E612-L615 PolarHBondContact O-N 3.47Å; N613-L615 VanDerWaalsContact C-N 3.31Å; N613-L615 PolarHBondContact O-N 3.47Å; L615-L618 CarbonylContact O-C 3.52Å; L615-L618 PolarHBondContact O-N 2.9Å; L615-T619 WeakPolarHBondContact O-CB 3.33Å; L615-T619 PolarHBondContact O-N 3.47Å; L615-T619 PolarHBondContact O-OG1 3.26Å; L615-T619 VanDerWaalsContact O-OG1 3.07Å |
| 616 | H | 88.5 | Confident | 84 | Confident | 135 Ų | 135 | 103 Ų | 103 | 63% | 0.625 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.1 | -46.6 | 170.7 | -89.4 | 6.1 | 0 | 0 | 0 | 112.5 | E612 N613 L618 T619 E620 | E612-H616 WeakPolarHBondContact O-CB 3.34Å; E612-H616 PolarHBondContact O-N 3.01Å; N613-H616 PolarHBondContact O-N 3.25Å; H616-L618 VanDerWaalsContact C-N 3.31Å; H616-L618 PolarHBondContact O-N 3.24Å; H616-T619 CarbonylContact O-C 3.54Å; H616-T619 PolarHBondContact O-N 3.41Å; H616-T619 VanDerWaalsContact O-N 3.16Å; H616-E620 VanDerWaalsContact O-CB 3.28Å; H616-E620 WeakPolarHBondContact O-CB 3.25Å; H616-E620 PolarHBondContact O-N 3.08Å |
| 617 | Q | 91.1 | Very high | 85.5 | Confident | 120 Ų | 120 | 103.5 Ų | 103.5 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -36.4 | 175.3 | -75 | 175.8 | -5.3 | 0 | 0 | 112.5 | N613 T621 | N613-Q617 WeakPolarHBondContact O-CB 3.18Å; N613-Q617 VanDerWaalsContact O-CG 3.32Å; N613-Q617 WeakPolarHBondContact O-CG 3.4Å; N613-Q617 PolarHBondContact O-N 2.88Å; Q617-T621 WeakPolarHBondContact O-CB 3.27Å; Q617-T621 WeakPolarHBondContact O-CG2 3.35Å; Q617-T621 PolarHBondContact O-N 2.86Å; Q617-T621 PolarHBondContact O-OG1 2.98Å |
| 618 | L | 90.1 | Very high | 86.7 | Confident | 122 Ų | 122 | 105.2 Ų | 105.2 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.4 | -38.4 | 173 | -87.4 | 164.6 | 0 | 0 | 0 | 112.2 | R614 L615 H616 T621 L622 | R614-L618 WeakPolarHBondContact O-CB 3.18Å; R614-L618 PolarHBondContact O-N 3.28Å; L615-L618 CarbonylContact O-C 3.52Å; L615-L618 PolarHBondContact O-N 2.9Å; H616-L618 VanDerWaalsContact C-N 3.31Å; H616-L618 PolarHBondContact O-N 3.24Å; L618-T621 PolarHBondContact O-OG1 3.37Å; L618-L622 WeakPolarHBondContact O-CB 3.49Å; L618-L622 PolarHBondContact O-N 3.22Å |
| 619 | T | 91 | Very high | 87.6 | Confident | 59 Ų | 59 | 104.9 Ų | 104.9 | 36% | 0.362 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 174.4 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | L615 H616 L622 I623 | L615-T619 WeakPolarHBondContact O-CB 3.33Å; L615-T619 PolarHBondContact O-N 3.47Å; L615-T619 PolarHBondContact O-OG1 3.26Å; L615-T619 VanDerWaalsContact O-OG1 3.07Å; H616-T619 CarbonylContact O-C 3.54Å; H616-T619 PolarHBondContact O-N 3.41Å; H616-T619 VanDerWaalsContact O-N 3.16Å; T619-L622 PolarHBondContact O-N 2.98Å; T619-I623 HydrophobicContact CG2-CD1 3.9Å; T619-I623 WeakPolarHBondContact O-CB 3.47Å; T619-I623 VanDerWaalsContact O-CG1 3.23Å; T619-I623 WeakPolarHBondContact O-CG1 3.24Å; T619-I623 PolarHBondContact O-N 2.84Å |
| 620 | E | 91.9 | Very high | 88.4 | Confident | 134 Ų | 134 | 106.8 Ų | 106.8 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.6 | -46.6 | 177.8 | -176 | 176.3 | -158.5 | 0 | 0 | 111.4 | H616 L622 I623 Q624 | H616-E620 VanDerWaalsContact O-CB 3.28Å; H616-E620 WeakPolarHBondContact O-CB 3.25Å; H616-E620 PolarHBondContact O-N 3.08Å; E620-L622 VanDerWaalsContact C-N 3.31Å; E620-L622 PolarHBondContact O-N 3.4Å; E620-I623 PolarHBondContact O-N 2.84Å; E620-Q624 WeakPolarHBondContact O-CB 3.39Å; E620-Q624 PolarHBondContact O-N 3.02Å |
| 621 | T | 91.1 | Very high | 89.1 | Confident | 63 Ų | 63 | 104.9 Ų | 104.9 | 39% | 0.387 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.7 | -26.8 | 174.6 | 54.9 | 0 | 0 | 0 | 0 | 113 | Q617 L618 K625 | Q617-T621 WeakPolarHBondContact O-CB 3.27Å; Q617-T621 WeakPolarHBondContact O-CG2 3.35Å; Q617-T621 PolarHBondContact O-N 2.86Å; Q617-T621 PolarHBondContact O-OG1 2.98Å; L618-T621 PolarHBondContact O-OG1 3.37Å; T621-K625 VanDerWaalsContact O-CB 3.31Å; T621-K625 WeakPolarHBondContact O-CB 3.37Å; T621-K625 WeakPolarHBondContact O-CG 3.38Å; T621-K625 PolarHBondContact O-N 3.18Å |
| 622 | L | 92.9 | Very high | 89.4 | Confident | 113 Ų | 113 | 103.7 Ų | 103.7 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.9 | -46.5 | 168.8 | 178.8 | 64.4 | 0 | 0 | 0 | 111 | L618 T619 E620 K625 Q626 | L618-L622 WeakPolarHBondContact O-CB 3.49Å; L618-L622 PolarHBondContact O-N 3.22Å; T619-L622 PolarHBondContact O-N 2.98Å; E620-L622 VanDerWaalsContact C-N 3.31Å; E620-L622 PolarHBondContact O-N 3.4Å; L622-K625 PolarHBondContact O-N 2.96Å; L622-Q626 VanDerWaalsContact O-CB 3.25Å; L622-Q626 WeakPolarHBondContact O-CB 3.4Å; L622-Q626 PolarHBondContact O-N 2.84Å |
| 623 | I | 91.9 | Very high | 89.6 | Confident | 100 Ų | 100 | 100.6 Ų | 100.6 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174.7 | -71 | 163 | 0 | 0 | 0 | 110 | T619 E620 K625 Q626 T627 | T619-I623 HydrophobicContact CG2-CD1 3.9Å; T619-I623 WeakPolarHBondContact O-CB 3.47Å; T619-I623 VanDerWaalsContact O-CG1 3.23Å; T619-I623 WeakPolarHBondContact O-CG1 3.24Å; T619-I623 PolarHBondContact O-N 2.84Å; E620-I623 PolarHBondContact O-N 2.84Å; I623-K625 VanDerWaalsContact C-N 3.3Å; I623-K625 PolarHBondContact O-N 3.16Å; I623-Q626 CarbonylContact O-C 3.57Å; I623-Q626 WeakPolarHBondContact O-CA 3.21Å; I623-Q626 WeakPolarHBondContact O-CB 3.36Å; I623-Q626 PolarHBondContact O-N 3.33Å; I623-T627 PolarHBondContact O-N 3.27Å; I623-T627 PolarHBondContact O-OG1 3.47Å |
| 624 | Q | 92.3 | Very high | 89.7 | Confident | 132 Ų | 132 | 100.7 Ų | 100.7 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.4 | -39.3 | 178.6 | -167.5 | -176.8 | 40.8 | 0 | 0 | 111.8 | E620 M628 | E620-Q624 WeakPolarHBondContact O-CB 3.39Å; E620-Q624 PolarHBondContact O-N 3.02Å; Q624-M628 VanDerWaalsContact O-CB 3.22Å; Q624-M628 WeakPolarHBondContact O-CB 3.29Å; Q624-M628 PolarHBondContact O-N 3.18Å |
| 625 | K | 93.3 | Very high | 89.8 | Confident | 141 Ų | 141 | 98.9 Ų | 98.9 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.3 | -31.3 | 172.9 | -77.7 | -174.9 | 176.3 | -176.3 | 0 | 113.4 | T621 L622 I623 L629 | T621-K625 VanDerWaalsContact O-CB 3.31Å; T621-K625 WeakPolarHBondContact O-CB 3.37Å; T621-K625 WeakPolarHBondContact O-CG 3.38Å; T621-K625 PolarHBondContact O-N 3.18Å; L622-K625 PolarHBondContact O-N 2.96Å; I623-K625 VanDerWaalsContact C-N 3.3Å; I623-K625 PolarHBondContact O-N 3.16Å; K625-L629 VanDerWaalsContact O-CB 3.29Å; K625-L629 WeakPolarHBondContact O-CB 3.46Å; K625-L629 VanDerWaalsContact O-CG 3.22Å; K625-L629 WeakPolarHBondContact O-CG 3.17Å; K625-L629 PolarHBondContact O-N 2.93Å |
| 626 | Q | 88.3 | Confident | 89.8 | Confident | 96 Ų | 96 | 100.6 Ų | 100.6 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -50.3 | 174.5 | -177.2 | 63.4 | 30.8 | 0 | 0 | 109.9 | L622 I623 M628 L629 E630 | L622-Q626 VanDerWaalsContact O-CB 3.25Å; L622-Q626 WeakPolarHBondContact O-CB 3.4Å; L622-Q626 PolarHBondContact O-N 2.84Å; I623-Q626 CarbonylContact O-C 3.57Å; I623-Q626 WeakPolarHBondContact O-CA 3.21Å; I623-Q626 WeakPolarHBondContact O-CB 3.36Å; I623-Q626 PolarHBondContact O-N 3.33Å; Q626-M628 VanDerWaalsContact C-N 3.33Å; Q626-M628 PolarHBondContact O-N 3.21Å; Q626-L629 CarbonylContact O-C 3.57Å; Q626-L629 PolarHBondContact O-N 2.99Å; Q626-L629 VanDerWaalsContact O-N 3.1Å; Q626-E630 WeakPolarHBondContact CG-OE1 3.35Å; Q626-E630 PolarHBondContact NE2-OE1 3.4Å; Q626-E630 WeakPolarHBondContact O-CB 3.42Å; Q626-E630 WeakPolarHBondContact O-CG 3.42Å; Q626-E630 PolarHBondContact O-N 2.93Å |
| 627 | T | 91.1 | Very high | 89.6 | Confident | 78 Ų | 78 | 97.9 Ų | 97.9 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 173.4 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | I623 E630 A631 | I623-T627 PolarHBondContact O-N 3.27Å; I623-T627 PolarHBondContact O-OG1 3.47Å; T627-E630 PolarHBondContact O-N 2.89Å; T627-A631 WeakPolarHBondContact O-CB 3.23Å; T627-A631 PolarHBondContact O-N 2.89Å |
| 628 | M | 88.6 | Confident | 89.4 | Confident | 116 Ų | 116 | 94.8 Ų | 94.8 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.8 | -36.5 | 172.7 | -178.7 | 177.1 | -82.3 | 0 | 0 | 112.3 | Q624 Q626 E630 L632 | Q624-M628 VanDerWaalsContact O-CB 3.22Å; Q624-M628 WeakPolarHBondContact O-CB 3.29Å; Q624-M628 PolarHBondContact O-N 3.18Å; Q626-M628 VanDerWaalsContact C-N 3.33Å; Q626-M628 PolarHBondContact O-N 3.21Å; M628-E630 VanDerWaalsContact C-N 3.34Å; M628-L632 HydrophobicContact CG-CD1 3.91Å; M628-L632 HydrophobicContact CG-CG 4.37Å; M628-L632 VanDerWaalsContact O-CB 3.26Å; M628-L632 WeakPolarHBondContact O-CB 3.39Å; M628-L632 WeakPolarHBondContact O-CG 3.48Å; M628-L632 PolarHBondContact O-N 2.68Å |
| 629 | L | 90.6 | Very high | 89 | Confident | 97 Ų | 97 | 93.6 Ų | 93.6 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.1 | -28.9 | 173.4 | -78.6 | 169.6 | 0 | 0 | 0 | 112.6 | K625 Q626 G633 | K625-L629 VanDerWaalsContact O-CB 3.29Å; K625-L629 WeakPolarHBondContact O-CB 3.46Å; K625-L629 VanDerWaalsContact O-CG 3.22Å; K625-L629 WeakPolarHBondContact O-CG 3.17Å; K625-L629 PolarHBondContact O-N 2.93Å; Q626-L629 CarbonylContact O-C 3.57Å; Q626-L629 PolarHBondContact O-N 2.99Å; Q626-L629 VanDerWaalsContact O-N 3.1Å; L629-G633 WeakPolarHBondContact O-CA 3.44Å; L629-G633 PolarHBondContact O-N 2.86Å |
| 630 | E | 91.4 | Very high | 88.8 | Confident | 100 Ų | 100 | 94.2 Ų | 94.2 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.3 | -42.4 | 172.5 | -74.4 | 158.7 | -173.1 | 0 | 0 | 110.9 | Q626 T627 M628 G633 T634 | Q626-E630 WeakPolarHBondContact CG-OE1 3.35Å; Q626-E630 PolarHBondContact NE2-OE1 3.4Å; Q626-E630 WeakPolarHBondContact O-CB 3.42Å; Q626-E630 WeakPolarHBondContact O-CG 3.42Å; Q626-E630 PolarHBondContact O-N 2.93Å; T627-E630 PolarHBondContact O-N 2.89Å; M628-E630 VanDerWaalsContact C-N 3.34Å; E630-G633 CarbonylContact O-C 3.58Å; E630-G633 WeakPolarHBondContact O-CA 3.48Å; E630-G633 PolarHBondContact O-N 3.46Å; E630-G633 VanDerWaalsContact O-N 3.14Å; E630-T634 PolarHBondContact O-N 3.48Å; E630-T634 PolarHBondContact O-OG1 2.94Å |
| 631 | A | 88.9 | Confident | 88.3 | Confident | 44 Ų | 44 | 94.7 Ų | 94.7 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -48.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T627 G633 T634 E635 | T627-A631 WeakPolarHBondContact O-CB 3.23Å; T627-A631 PolarHBondContact O-N 2.89Å; A631-G633 PolarHBondContact O-N 3.46Å; A631-T634 PolarHBondContact O-N 3.24Å; A631-T634 PolarHBondContact O-OG1 3.22Å; A631-E635 WeakPolarHBondContact O-CB 3.4Å; A631-E635 WeakPolarHBondContact O-CG 3.35Å; A631-E635 PolarHBondContact O-N 2.92Å |
| 632 | L | 85.9 | Confident | 88 | Confident | 89 Ų | 89 | 96.8 Ų | 96.8 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -23.5 | 171.3 | -69.7 | 169.4 | 0 | 0 | 0 | 111.9 | M628 K636 | M628-L632 HydrophobicContact CG-CD1 3.91Å; M628-L632 HydrophobicContact CG-CG 4.37Å; M628-L632 VanDerWaalsContact O-CB 3.26Å; M628-L632 WeakPolarHBondContact O-CB 3.39Å; M628-L632 WeakPolarHBondContact O-CG 3.48Å; M628-L632 PolarHBondContact O-N 2.68Å; L632-K636 WeakPolarHBondContact O-CB 3.36Å; L632-K636 PolarHBondContact O-N 3.06Å |
| 633 | G | 85.9 | Confident | 87.3 | Confident | 27 Ų | 27 | 96.9 Ų | 96.9 | 28% | 0.278 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.2 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L629 E630 A631 S637 | L629-G633 WeakPolarHBondContact O-CA 3.44Å; L629-G633 PolarHBondContact O-N 2.86Å; E630-G633 CarbonylContact O-C 3.58Å; E630-G633 WeakPolarHBondContact O-CA 3.48Å; E630-G633 PolarHBondContact O-N 3.46Å; E630-G633 VanDerWaalsContact O-N 3.14Å; A631-G633 PolarHBondContact O-N 3.46Å; G633-S637 VanDerWaalsContact O-CB 3.29Å; G633-S637 WeakPolarHBondContact O-CB 3.25Å; G633-S637 PolarHBondContact O-N 2.83Å; G633-S637 PolarHBondContact O-OG 2.86Å |
| 634 | T | 86.1 | Confident | 86.8 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -73.7 | -39.2 | 173.8 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | E630 A631 S637 S638 | E630-T634 PolarHBondContact O-N 3.48Å; E630-T634 PolarHBondContact O-OG1 2.94Å; A631-T634 PolarHBondContact O-N 3.24Å; A631-T634 PolarHBondContact O-OG1 3.22Å; T634-S637 PolarHBondContact O-N 2.94Å; T634-S638 WeakPolarHBondContact O-CB 3.44Å; T634-S638 PolarHBondContact O-N 3.44Å; T634-S638 PolarHBondContact O-OG 2.91Å |
| 635 | E | 87.8 | Confident | 86.1 | Confident | 107 Ų | 107 | 98.1 Ų | 98.1 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.8 | -54.3 | 168.3 | -76.5 | 179.3 | -170.4 | 0 | 0 | 110.6 | A631 S637 S638 L639 | A631-E635 WeakPolarHBondContact O-CB 3.4Å; A631-E635 WeakPolarHBondContact O-CG 3.35Å; A631-E635 PolarHBondContact O-N 2.92Å; E635-S637 VanDerWaalsContact C-N 3.29Å; E635-S637 PolarHBondContact O-N 3.3Å; E635-S638 PolarHBondContact O-N 2.95Å; E635-S638 VanDerWaalsContact O-N 3.13Å; E635-S638 PolarHBondContact O-OG 3.4Å; E635-L639 WeakPolarHBondContact O-CB 3.29Å; E635-L639 WeakPolarHBondContact O-CG 2.81Å; E635-L639 PolarHBondContact O-N 3.38Å |
| 636 | K | 87.4 | Confident | 85.1 | Confident | 144 Ų | 144 | 96.4 Ų | 96.4 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -55.7 | -43.4 | 174.9 | -178.3 | -173.3 | 175.3 | -169.1 | 0 | 111.5 | L632 S638 L639 V640 | L632-K636 WeakPolarHBondContact O-CB 3.36Å; L632-K636 PolarHBondContact O-N 3.06Å; K636-S638 VanDerWaalsContact C-N 3.34Å; K636-L639 PolarHBondContact O-N 3.32Å; K636-V640 HydrophobicContact CG-CG2 4.21Å; K636-V640 VanDerWaalsContact O-CB 3.31Å; K636-V640 WeakPolarHBondContact O-CB 3.42Å; K636-V640 VanDerWaalsContact O-CG2 3.23Å; K636-V640 WeakPolarHBondContact O-CG2 3.48Å; K636-V640 PolarHBondContact O-N 3.44Å |
| 637 | S | 84.2 | Confident | 84.3 | Confident | 77 Ų | 77 | 96.2 Ų | 96.2 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -37.8 | -179.7 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | G633 T634 E635 V640 F641 | G633-S637 VanDerWaalsContact O-CB 3.29Å; G633-S637 WeakPolarHBondContact O-CB 3.25Å; G633-S637 PolarHBondContact O-N 2.83Å; G633-S637 PolarHBondContact O-OG 2.86Å; T634-S637 PolarHBondContact O-N 2.94Å; E635-S637 VanDerWaalsContact C-N 3.29Å; E635-S637 PolarHBondContact O-N 3.3Å; S637-V640 PolarHBondContact O-N 2.98Å; S637-F641 WeakPolarHBondContact O-CB 3.28Å; S637-F641 PolarHBondContact O-N 3.2Å |
| 638 | S | 85.9 | Confident | 83 | Confident | 55 Ų | 55 | 98 Ų | 98 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70 | -37.1 | 174.2 | 77.8 | 0 | 0 | 0 | 0 | 112.7 | T634 E635 K636 F641 Q642 | T634-S638 WeakPolarHBondContact O-CB 3.44Å; T634-S638 PolarHBondContact O-N 3.44Å; T634-S638 PolarHBondContact O-OG 2.91Å; E635-S638 PolarHBondContact O-N 2.95Å; E635-S638 VanDerWaalsContact O-N 3.13Å; E635-S638 PolarHBondContact O-OG 3.4Å; K636-S638 VanDerWaalsContact C-N 3.34Å; S638-F641 PolarHBondContact O-N 2.98Å; S638-Q642 WeakPolarHBondContact O-CB 3.48Å; S638-Q642 VanDerWaalsContact O-CG 3.26Å; S638-Q642 WeakPolarHBondContact O-CG 3.49Å; S638-Q642 PolarHBondContact O-N 3.37Å |
| 639 | L | 82.6 | Confident | 81.9 | Confident | 97 Ų | 97 | 97.7 Ų | 97.7 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.2 | -33.6 | 173.9 | -72.9 | 173 | 0 | 0 | 0 | 111.7 | E635 K636 L643 | E635-L639 WeakPolarHBondContact O-CB 3.29Å; E635-L639 WeakPolarHBondContact O-CG 2.81Å; E635-L639 PolarHBondContact O-N 3.38Å; K636-L639 PolarHBondContact O-N 3.32Å; L639-L643 VanDerWaalsContact O-CB 3.29Å; L639-L643 WeakPolarHBondContact O-CB 3.48Å; L639-L643 PolarHBondContact O-N 3.43Å |
| 640 | V | 86.1 | Confident | 80.2 | Confident | 73 Ų | 73 | 97.3 Ų | 97.3 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 170 | 165.9 | 0 | 0 | 0 | 0 | 110.3 | K636 S637 L643 E644 | K636-V640 HydrophobicContact CG-CG2 4.21Å; K636-V640 VanDerWaalsContact O-CB 3.31Å; K636-V640 WeakPolarHBondContact O-CB 3.42Å; K636-V640 VanDerWaalsContact O-CG2 3.23Å; K636-V640 WeakPolarHBondContact O-CG2 3.48Å; K636-V640 PolarHBondContact O-N 3.44Å; S637-V640 PolarHBondContact O-N 2.98Å; V640-L643 CarbonylContact O-C 3.59Å; V640-L643 PolarHBondContact O-N 2.98Å; V640-E644 WeakPolarHBondContact O-CB 3.47Å; V640-E644 PolarHBondContact O-N 2.91Å |
| 641 | F | 81.9 | Confident | 78.5 | Confident | 143 Ų | 143 | 99.3 Ų | 99.3 | 63% | 0.627 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.6 | -33.7 | 175.3 | -160 | -94.9 | 0 | 0 | 0 | 112.3 | S637 S638 R645 | S637-F641 WeakPolarHBondContact O-CB 3.28Å; S637-F641 PolarHBondContact O-N 3.2Å; S638-F641 PolarHBondContact O-N 2.98Å; F641-R645 WeakPolarHBondContact O-CB 3.49Å; F641-R645 PolarHBondContact O-N 3.48Å |
| 642 | Q | 85.4 | Confident | 76.8 | Confident | 107 Ų | 107 | 102.1 Ų | 102.1 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 168.9 | -73.8 | 173 | 34.8 | 0 | 0 | 111.5 | S638 L646 | S638-Q642 WeakPolarHBondContact O-CB 3.48Å; S638-Q642 VanDerWaalsContact O-CG 3.26Å; S638-Q642 WeakPolarHBondContact O-CG 3.49Å; S638-Q642 PolarHBondContact O-N 3.37Å; Q642-L646 VanDerWaalsContact O-CB 3.26Å; Q642-L646 WeakPolarHBondContact O-CB 3.39Å; Q642-L646 VanDerWaalsContact O-CG 3.28Å; Q642-L646 WeakPolarHBondContact O-CG 3.31Å; Q642-L646 PolarHBondContact O-N 2.94Å |
| 643 | L | 78.1 | Confident | 75.4 | Confident | 115 Ų | 115 | 102.1 Ų | 102.1 | 60% | 0.602 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 174.1 | -98.2 | 168.6 | 0 | 0 | 0 | 111.8 | L639 V640 L646 E647 | L639-L643 VanDerWaalsContact O-CB 3.29Å; L639-L643 WeakPolarHBondContact O-CB 3.48Å; L639-L643 PolarHBondContact O-N 3.43Å; V640-L643 CarbonylContact O-C 3.59Å; V640-L643 PolarHBondContact O-N 2.98Å; L643-L646 CarbonylContact O-C 3.58Å; L643-L646 PolarHBondContact O-N 3.45Å; L643-E647 WeakPolarHBondContact O-CA 3.4Å; L643-E647 WeakPolarHBondContact O-CB 3.29Å; L643-E647 PolarHBondContact O-N 3.07Å |
| 644 | E | 81.2 | Confident | 73.5 | Confident | 94 Ų | 94 | 106 Ų | 106 | 44% | 0.439 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 177.1 | -178.1 | 175.9 | -170.9 | 0 | 0 | 110.7 | V640 E647 Q648 | V640-E644 WeakPolarHBondContact O-CB 3.47Å; V640-E644 PolarHBondContact O-N 2.91Å; E644-E647 CarbonylContact O-C 3.56Å; E644-E647 PolarHBondContact O-N 3.33Å; E644-Q648 WeakPolarHBondContact O-CB 3.45Å; E644-Q648 VanDerWaalsContact O-CG 3.3Å; E644-Q648 WeakPolarHBondContact O-CG 3.13Å; E644-Q648 PolarHBondContact O-N 2.87Å |
| 645 | R | 78.8 | Confident | 71.6 | Confident | 165 Ų | 165 | 105.5 Ų | 105.5 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.3 | -43.8 | 171.7 | 178.4 | 174.7 | 173.9 | 160 | -0.5 | 111.8 | F641 Q648 Q649 | F641-R645 WeakPolarHBondContact O-CB 3.49Å; F641-R645 PolarHBondContact O-N 3.48Å; R645-Q648 PolarHBondContact O-N 3.27Å; R645-Q649 WeakPolarHBondContact O-CG 3.42Å; R645-Q649 PolarHBondContact O-N 3.36Å |
| 646 | L | 71.6 | Confident | 69.6 | Low | 104 Ų | 104 | 102.6 Ų | 102.6 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.9 | -32.9 | 174.9 | -77.2 | 170.7 | 0 | 0 | 0 | 111.9 | Q642 L643 Q649 L650 | Q642-L646 VanDerWaalsContact O-CB 3.26Å; Q642-L646 WeakPolarHBondContact O-CB 3.39Å; Q642-L646 VanDerWaalsContact O-CG 3.28Å; Q642-L646 WeakPolarHBondContact O-CG 3.31Å; Q642-L646 PolarHBondContact O-N 2.94Å; L643-L646 CarbonylContact O-C 3.58Å; L643-L646 PolarHBondContact O-N 3.45Å; L646-Q649 CarbonylContact O-C 3.58Å; L646-Q649 PolarHBondContact O-N 2.88Å; L646-L650 WeakPolarHBondContact O-CB 3.47Å; L646-L650 PolarHBondContact O-N 3.35Å |
| 647 | E | 71.4 | Confident | 67.3 | Low | 92 Ų | 92 | 104.9 Ų | 104.9 | 43% | 0.43 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -77.5 | -26 | 177.3 | -163 | -159.5 | 134.6 | 0 | 0 | 111.3 | L643 E644 L650 K651 | L643-E647 WeakPolarHBondContact O-CA 3.4Å; L643-E647 WeakPolarHBondContact O-CB 3.29Å; L643-E647 PolarHBondContact O-N 3.07Å; E644-E647 CarbonylContact O-C 3.56Å; E644-E647 PolarHBondContact O-N 3.33Å; E647-L650 CarbonylContact O-C 3.53Å; E647-L650 PolarHBondContact O-N 3Å; E647-K651 HydrophobicContact CG-CD 4.44Å; E647-K651 WeakPolarHBondContact O-CB 3.44Å; E647-K651 VanDerWaalsContact O-CG 3.31Å; E647-K651 WeakPolarHBondContact O-CG 3.27Å; E647-K651 PolarHBondContact O-N 3.42Å; E647-K651 WeakPolarHBondContact OE1-CE 3.4Å; E647-K651 IonicContact OE1-NZ 2.61Å; E647-K651 PolarHBondContact OE1-NZ 3.36Å |
| 648 | Q | 64.1 | Low | 65 | Low | 116 Ų | 116 | 106.6 Ų | 106.6 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -77.7 | -36 | 168.7 | -74 | 175.2 | 2.9 | 0 | 0 | 111.1 | E644 R645 L650 S652 | E644-Q648 WeakPolarHBondContact O-CB 3.45Å; E644-Q648 VanDerWaalsContact O-CG 3.3Å; E644-Q648 WeakPolarHBondContact O-CG 3.13Å; E644-Q648 PolarHBondContact O-N 2.87Å; R645-Q648 PolarHBondContact O-N 3.27Å; Q648-L650 VanDerWaalsContact C-N 3.31Å; Q648-S652 WeakPolarHBondContact O-CB 3.43Å; Q648-S652 PolarHBondContact O-N 3.43Å; Q648-S652 PolarHBondContact O-OG 2.84Å |
| 649 | Q | 65.1 | Low | 62.8 | Low | 109 Ų | 109 | 107.6 Ų | 107.6 | 51% | 0.509 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.6 | -35.4 | 165.3 | -72.1 | -176.4 | -50.7 | 0 | 0 | 111.7 | R645 L646 S652 A653 | R645-Q649 WeakPolarHBondContact O-CG 3.42Å; R645-Q649 PolarHBondContact O-N 3.36Å; L646-Q649 CarbonylContact O-C 3.58Å; L646-Q649 PolarHBondContact O-N 2.88Å; Q649-S652 WeakPolarHBondContact CA-OG 3.46Å; Q649-S652 PolarHBondContact O-OG 2.88Å; Q649-A653 VanDerWaalsContact O-CB 3.25Å; Q649-A653 WeakPolarHBondContact O-CB 3.46Å; Q649-A653 PolarHBondContact O-N 3.12Å; Q649-A653 VanDerWaalsContact O-N 3.12Å |
| 650 | L | 55 | Low | 60.6 | Low | 89 Ų | 89 | 107 Ų | 107 | 47% | 0.466 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -73.8 | -43 | 175.8 | -155.9 | 81.3 | 0 | 0 | 0 | 111.2 | L646 E647 Q648 S652 A653 Q654 | L646-L650 WeakPolarHBondContact O-CB 3.47Å; L646-L650 PolarHBondContact O-N 3.35Å; E647-L650 CarbonylContact O-C 3.53Å; E647-L650 PolarHBondContact O-N 3Å; Q648-L650 VanDerWaalsContact C-N 3.31Å; L650-S652 VanDerWaalsContact C-N 3.26Å; L650-S652 PolarHBondContact O-N 2.85Å; L650-A653 CarbonylContact O-C 3.58Å; L650-A653 PolarHBondContact O-N 2.92Å; L650-Q654 HydrophobicContact CG-CB 4.2Å; L650-Q654 CarbonylContact O-C 3.59Å; L650-Q654 VanDerWaalsContact O-CA 3.29Å; L650-Q654 WeakPolarHBondContact O-CA 3.48Å; L650-Q654 WeakPolarHBondContact O-CB 3.48Å; L650-Q654 PolarHBondContact O-N 3.3Å |
| 651 | K | 56.3 | Low | 58 | Low | 142 Ų | 142 | 109.4 Ų | 109.4 | 62% | 0.617 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67 | -25.3 | 176.1 | -84 | 168.3 | 165.2 | 162.1 | 0 | 112.9 | E647 | E647-K651 HydrophobicContact CG-CD 4.44Å; E647-K651 WeakPolarHBondContact O-CB 3.44Å; E647-K651 VanDerWaalsContact O-CG 3.31Å; E647-K651 WeakPolarHBondContact O-CG 3.27Å; E647-K651 PolarHBondContact O-N 3.42Å; E647-K651 WeakPolarHBondContact OE1-CE 3.4Å; E647-K651 IonicContact OE1-NZ 2.61Å; E647-K651 PolarHBondContact OE1-NZ 3.36Å |
| 652 | S | 52.9 | Low | 55.6 | Low | 104 Ų | 104 | 107.5 Ų | 107.5 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -84.9 | -14 | 170.6 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | Q648 Q649 L650 | Q648-S652 WeakPolarHBondContact O-CB 3.43Å; Q648-S652 PolarHBondContact O-N 3.43Å; Q648-S652 PolarHBondContact O-OG 2.84Å; Q649-S652 WeakPolarHBondContact CA-OG 3.46Å; Q649-S652 PolarHBondContact O-OG 2.88Å; L650-S652 VanDerWaalsContact C-N 3.26Å; L650-S652 PolarHBondContact O-N 2.85Å |
| 653 | A | 54.9 | Low | 53.3 | Low | 89 Ų | 89 | 109.1 Ų | 109.1 | 74% | 0.736 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -109.7 | -20 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q649 L650 | Q649-A653 VanDerWaalsContact O-CB 3.25Å; Q649-A653 WeakPolarHBondContact O-CB 3.46Å; Q649-A653 PolarHBondContact O-N 3.12Å; Q649-A653 VanDerWaalsContact O-N 3.12Å; L650-A653 CarbonylContact O-C 3.58Å; L650-A653 PolarHBondContact O-N 2.92Å |
| 654 | Q | 46.1 | Very low | 51 | Low | 109 Ų | 109 | 110.9 Ų | 110.9 | 51% | 0.509 | 66% | 0.664 | S | S | . | * | trans | -148.7 | 84.1 | -167.9 | -175.1 | -174.7 | -15.1 | 0 | 0 | 109.4 | L650 G656 | L650-Q654 HydrophobicContact CG-CB 4.2Å; L650-Q654 CarbonylContact O-C 3.59Å; L650-Q654 VanDerWaalsContact O-CA 3.29Å; L650-Q654 WeakPolarHBondContact O-CA 3.48Å; L650-Q654 WeakPolarHBondContact O-CB 3.48Å; L650-Q654 PolarHBondContact O-N 3.3Å; Q654-G656 PolarHBondContact O-N 3.25Å | ||
| 655 | G | 47.6 | Very low | 48.7 | Very low | 85 Ų | 85 | 114.6 Ų | 114.6 | 88% | 0.876 | 68% | 0.683 | S | S | * | * | trans | -72.6 | 103.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 656 | G | 45.8 | Very low | 46.6 | Very low | 45 Ų | 45 | 111.7 Ų | 111.7 | 46% | 0.464 | 69% | 0.688 | S | S | . | * | trans | 136.4 | 129.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 118 | Q654 | Q654-G656 PolarHBondContact O-N 3.25Š| ||
| 657 | Q | 39 | Very low | 44.6 | Very low | 193 Ų | 193 | 111.6 Ų | 111.6 | 90% | 0.902 | 69% | 0.692 | S | S | * | * | trans | 68.1 | 155.7 | 151 | -55.2 | -175.6 | 41.4 | 0 | 0 | 118.3 | ||||
| 658 | S | 35.8 | Very low | 42.8 | Very low | 113 Ų | 113 | 113.9 Ų | 113.9 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | cis | -171.1 | 146.1 | -30.9 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 659 | G | 39.6 | Very low | 41.4 | Very low | 76 Ų | 76 | 116.6 Ų | 116.6 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | trans | 59.8 | 115.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 660 | G | 35.3 | Very low | 39.9 | Very low | 83 Ų | 83 | 114.6 Ų | 114.6 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | trans | -89.8 | -167.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 661 | S | 31.8 | Very low | 39.5 | Very low | 125 Ų | 125 | 116.8 Ų | 116.8 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -160.5 | -176.5 | 165.6 | -158.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 662 | S | 31.8 | Very low | 38.5 | Very low | 102 Ų | 102 | 113.4 Ų | 113.4 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -148.1 | -169.5 | -161.4 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 663 | I | 36.2 | Very low | 37.6 | Very low | 141 Ų | 141 | 114.7 Ų | 114.7 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | 108.7 | 119.8 | 158 | -65 | 166.4 | 0 | 0 | 0 | 119.8 | ||||
| 664 | N | 31.4 | Very low | 36.6 | Very low | 153 Ų | 153 | 121.1 Ų | 121.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 34.5 | 144.2 | 146.2 | -55.8 | -9.1 | 0 | 0 | 0 | 125 | ||||
| 665 | M | 33 | Very low | 36 | Very low | 172 Ų | 172 | 124 Ų | 124 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | -147 | 158.5 | 115.7 | -159.8 | 172 | 178.6 | 0 | 0 | 112.1 | |||||
| 666 | S | 32.9 | Very low | 35.3 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -119.4 | -143.5 | 175.5 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 667 | T | 30.2 | Very low | 34.7 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | trans | 84.9 | 142 | 168.2 | -45.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 668 | L | 34.9 | Very low | 34.4 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | cis | -147.9 | -172.6 | 12.8 | -160.4 | 45.8 | 0 | 0 | 0 | 113.9 | ||||
| 669 | E | 34.7 | Very low | 34.8 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -49.4 | 178.9 | 177.4 | -60.5 | 163.5 | 127.4 | 0 | 0 | 117.9 | ||||
| 670 | G | 32.8 | Very low | 34.6 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | -171.9 | -167.6 | 22.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 671 | P | 45.5 | Very low | 34.6 | Very low | 135 Ų | 135 | 138 Ų | 138 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -132 | 171 | -142.6 | 42.6 | -28.8 | 0 | 0 | 0 | 119 | ||||
| 672 | G | 36.5 | Very low | 34.5 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 115.1 | 151.9 | 158 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 673 | T | 34.5 | Very low | 34.6 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | cis | -160.7 | 161.3 | -2.9 | -33.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 674 | R | 33.4 | Very low | 34.4 | Very low | 224 Ų | 224 | 139.5 Ų | 139.5 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | 74.7 | 109.1 | 168.2 | -57.3 | -176.3 | 175 | -161.4 | -4.7 | 116.2 | ||||
| 675 | Q | 33.8 | Very low | 34.6 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | 77.2 | 114.3 | 50.4 | -66.6 | -175.4 | -23.6 | 0 | 0 | 116.2 | |||||
| 676 | R | 32.3 | Very low | 34.6 | Very low | 248 Ų | 248 | 138.6 Ų | 138.6 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | -149.3 | 107.5 | 125 | -172.2 | 169.5 | -178 | 163.9 | 0.7 | 109.7 | |||||
| 677 | N | 34 | Very low | 34.9 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | trans | -81 | 167.4 | 174.6 | -59.7 | 9.6 | 0 | 0 | 0 | 108.7 | ||||
| 678 | T | 31.8 | Very low | 36.3 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | -147 | 128.9 | 58.9 | 47.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 679 | P | 44.4 | Very low | 36.4 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | -103.9 | -175.7 | 165.8 | 38.7 | -31.1 | 0 | 0 | 0 | 112.9 | ||||
| 680 | V | 34.9 | Very low | 37.3 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | trans | 77.8 | 110.3 | 165.3 | -174.9 | 0 | 0 | 0 | 0 | 117.4 | F682 | V680-F682 HydrophobicContact CG1-CD2 3.96Å; V680-F682 HydrophobicContact CG1-CE2 3.91Å | ||
| 681 | L | 35.3 | Very low | 38.1 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | -151.7 | 142.3 | 112.6 | -108 | 163.8 | 0 | 0 | 0 | 111.6 | |||||
| 682 | F | 30.8 | Very low | 38.5 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 75% | 0.746 | 75% | 0.745 | S | S | * | * | trans | -58.4 | 172.9 | -177.3 | -73.8 | -115.7 | 0 | 0 | 0 | 114.3 | V680 | V680-F682 HydrophobicContact CG1-CD2 3.96Å; V680-F682 HydrophobicContact CG1-CE2 3.91Å | ||
| 683 | S | 32.3 | Very low | 39.4 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | cis | 178.1 | 162.2 | -25.6 | -85.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 684 | D | 33.1 | Very low | 40.3 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | 61.3 | 164.6 | 160.9 | -71.7 | -32 | 0 | 0 | 0 | 117 | ||||
| 685 | Q | 34.8 | Very low | 41.3 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | cis | -140.9 | -178.1 | -13.3 | -134.5 | 176.2 | -12.6 | 0 | 0 | 111.1 | ||||
| 686 | D | 33.5 | Very low | 42.5 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | -60.1 | -178.8 | -173.2 | -60.6 | -77.5 | 0 | 0 | 0 | 118.5 | ||||
| 687 | S | 38.5 | Very low | 43.6 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | trans | 99.3 | 147.1 | 159.6 | -72.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 688 | P | 59.8 | Low | 44.6 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 84% | 0.838 | 69% | 0.692 | S | S | * | * | trans | -124.2 | 117 | -134.4 | 33 | -15.3 | 0 | 0 | 0 | 115.1 | ||||
| 689 | G | 38.4 | Very low | 46 | Very low | 54 Ų | 54 | 120.8 Ų | 120.8 | 56% | 0.557 | 67% | 0.67 | S | S | * | * | trans | -100.7 | 132.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y691 G692 | G689-Y691 PolarHBondContact O-N 2.89Å; G689-Y691 VanDerWaalsContact O-N 3.07Å; G689-G692 PolarHBondContact O-N 3.26Å | ||
| 690 | V | 53.2 | Low | 46.8 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 67% | 0.673 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -26.7 | 174.3 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | G692 K693 V694 | V690-G692 PolarHBondContact O-N 3.46Å; V690-G692 VanDerWaalsContact O-N 3.07Å; V690-K693 PolarHBondContact O-N 3.26Å; V690-V694 HydrophobicContact CG1-CG2 4.16Å; V690-V694 PolarHBondContact O-N 2.88Å |
| 691 | Y | 48.3 | Very low | 48.1 | Very low | 198 Ų | 198 | 120 Ų | 120 | 78% | 0.776 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -45.4 | -35.2 | 173.5 | -74.3 | -85.6 | 0 | 0 | 0 | 115 | G689 K693 V694 R695 | G689-Y691 PolarHBondContact O-N 2.89Å; G689-Y691 VanDerWaalsContact O-N 3.07Å; Y691-K693 VanDerWaalsContact C-N 3.28Å; Y691-K693 PolarHBondContact O-N 2.95Å; Y691-V694 PolarHBondContact O-N 2.97Å; Y691-R695 WeakPolarHBondContact O-CB 3.23Å; Y691-R695 PolarHBondContact O-N 3.43Å |
| 692 | G | 54.8 | Low | 49.6 | Very low | 52 Ų | 52 | 116.3 Ų | 116.3 | 54% | 0.536 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.2 | -31.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G689 V690 | G689-G692 PolarHBondContact O-N 3.26Å; V690-G692 PolarHBondContact O-N 3.46Å; V690-G692 VanDerWaalsContact O-N 3.07Å |
| 693 | K | 54.8 | Low | 51.2 | Low | 173 Ų | 173 | 117.3 Ų | 117.3 | 75% | 0.752 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -82.2 | -42.3 | 175.8 | -66.9 | 178.2 | 179.7 | 176 | 0 | 111.1 | V690 Y691 R695 K696 A697 | V690-K693 PolarHBondContact O-N 3.26Å; Y691-K693 VanDerWaalsContact C-N 3.28Å; Y691-K693 PolarHBondContact O-N 2.95Å; K693-R695 PolarHBondContact O-N 2.73Å; K693-K696 PolarHBondContact O-N 2.85Å; K693-A697 PolarHBondContact O-N 3.38Å |
| 694 | V | 54.5 | Low | 52.7 | Low | 84 Ų | 84 | 120.5 Ų | 120.5 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.3 | -43.1 | 178.1 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | V690 Y691 K696 A697 A698 | V690-V694 HydrophobicContact CG1-CG2 4.16Å; V690-V694 PolarHBondContact O-N 2.88Å; Y691-V694 PolarHBondContact O-N 2.97Å; V694-K696 VanDerWaalsContact C-N 3.3Å; V694-K696 PolarHBondContact O-N 3.2Å; V694-A697 PolarHBondContact O-N 3.17Å; V694-A698 WeakPolarHBondContact O-CB 3.16Å; V694-A698 PolarHBondContact O-N 2.92Å |
| 695 | R | 54 | Low | 54.2 | Low | 211 Ų | 211 | 116.3 Ų | 116.3 | 80% | 0.796 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.7 | -34.4 | 177.9 | -166.4 | 171.6 | -177.7 | 172.4 | 0.9 | 112.7 | Y691 K693 S699 | Y691-R695 WeakPolarHBondContact O-CB 3.23Å; Y691-R695 PolarHBondContact O-N 3.43Å; K693-R695 PolarHBondContact O-N 2.73Å; R695-S699 WeakPolarHBondContact O-CB 3.05Å; R695-S699 PolarHBondContact O-N 2.97Å; R695-S699 PolarHBondContact O-OG 3.19Å |
| 696 | K | 58.3 | Low | 55.8 | Low | 157 Ų | 157 | 112.9 Ų | 112.9 | 68% | 0.683 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.1 | -44.7 | 171.8 | -92.1 | -179.4 | 173.7 | 175.9 | 0 | 112.2 | K693 V694 S699 T700 | K693-K696 PolarHBondContact O-N 2.85Å; V694-K696 VanDerWaalsContact C-N 3.3Å; V694-K696 PolarHBondContact O-N 3.2Å; K696-S699 PolarHBondContact O-N 3.48Å; K696-S699 PolarHBondContact O-OG 3.1Å; K696-T700 PolarHBondContact O-N 3.37Å; K696-T700 VanDerWaalsContact O-N 3.13Å; K696-T700 PolarHBondContact O-OG1 2.97Å |
| 697 | A | 55.9 | Low | 57.5 | Low | 53 Ų | 53 | 115 Ų | 115 | 44% | 0.438 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.4 | -47.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K693 V694 S699 T700 I701 | K693-A697 PolarHBondContact O-N 3.38Å; V694-A697 PolarHBondContact O-N 3.17Å; A697-S699 PolarHBondContact O-N 3.28Å; A697-T700 WeakPolarHBondContact O-CA 3.48Å; A697-T700 WeakPolarHBondContact O-CB 3.31Å; A697-T700 PolarHBondContact O-N 3.24Å; A697-I701 PolarHBondContact O-N 3.4Å |
| 698 | A | 54.8 | Low | 59 | Low | 53 Ų | 53 | 114.6 Ų | 114.6 | 44% | 0.438 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57 | -47.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V694 T700 I701 D702 | V694-A698 WeakPolarHBondContact O-CB 3.16Å; V694-A698 PolarHBondContact O-N 2.92Å; A698-T700 PolarHBondContact O-N 3.47Å; A698-T700 VanDerWaalsContact O-N 3.09Å; A698-I701 PolarHBondContact O-N 3Å; A698-D702 WeakPolarHBondContact O-CB 3.3Å; A698-D702 PolarHBondContact O-N 3.24Å |
| 699 | S | 61.7 | Low | 59.3 | Low | 58 Ų | 58 | 110.5 Ų | 110.5 | 41% | 0.406 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.4 | -13.8 | 175.9 | 74.7 | 0 | 0 | 0 | 0 | 114.7 | R695 K696 A697 R703 | R695-S699 WeakPolarHBondContact O-CB 3.05Å; R695-S699 PolarHBondContact O-N 2.97Å; R695-S699 PolarHBondContact O-OG 3.19Å; K696-S699 PolarHBondContact O-N 3.48Å; K696-S699 PolarHBondContact O-OG 3.1Å; A697-S699 PolarHBondContact O-N 3.28Å; S699-R703 WeakPolarHBondContact O-CD 3.23Å; S699-R703 VanDerWaalsContact O-CG 3.28Å; S699-R703 WeakPolarHBondContact O-CG 3.43Å |
| 700 | T | 61.3 | Low | 60.7 | Low | 76 Ų | 76 | 113 Ų | 113 | 47% | 0.466 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -94.2 | -42.9 | 175.5 | -51.1 | 0 | 0 | 0 | 0 | 110.8 | K696 A697 A698 D702 R703 F704 | K696-T700 PolarHBondContact O-N 3.37Å; K696-T700 VanDerWaalsContact O-N 3.13Å; K696-T700 PolarHBondContact O-OG1 2.97Å; A697-T700 WeakPolarHBondContact O-CA 3.48Å; A697-T700 WeakPolarHBondContact O-CB 3.31Å; A697-T700 PolarHBondContact O-N 3.24Å; A698-T700 PolarHBondContact O-N 3.47Å; A698-T700 VanDerWaalsContact O-N 3.09Å; T700-D702 VanDerWaalsContact C-N 3.33Å; T700-D702 PolarHBondContact O-N 3.13Å; T700-R703 PolarHBondContact O-N 2.91Å; T700-F704 HydrophobicContact CG2-CD2 4.35Å; T700-F704 WeakPolarHBondContact O-CD2 3.24Å; T700-F704 PolarHBondContact O-N 2.86Å |
| 701 | I | 62.5 | Low | 61.4 | Low | 123 Ų | 123 | 112.9 Ų | 112.9 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -57.3 | -45.5 | 171 | -81.3 | 175 | 0 | 0 | 0 | 110.8 | A697 A698 R703 F704 S705 | A697-I701 PolarHBondContact O-N 3.4Å; A698-I701 PolarHBondContact O-N 3Å; I701-R703 VanDerWaalsContact C-N 3.34Å; I701-R703 PolarHBondContact O-N 3.46Å; I701-F704 CarbonylContact O-C 3.6Å; I701-F704 WeakPolarHBondContact O-CA 3.18Å; I701-F704 WeakPolarHBondContact O-CB 3.28Å; I701-F704 PolarHBondContact O-N 3.05Å; I701-S705 PolarHBondContact O-N 3.28Å; I701-S705 PolarHBondContact O-OG 3.06Å |
| 702 | D | 66.9 | Low | 62.2 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 47% | 0.465 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 179.6 | -170.3 | 50.4 | 0 | 0 | 0 | 112.3 | A698 T700 F704 S705 I706 | A698-D702 WeakPolarHBondContact O-CB 3.3Å; A698-D702 PolarHBondContact O-N 3.24Å; T700-D702 VanDerWaalsContact C-N 3.33Å; T700-D702 PolarHBondContact O-N 3.13Å; D702-F704 VanDerWaalsContact C-N 3.26Å; D702-F704 PolarHBondContact O-N 2.82Å; D702-S705 WeakPolarHBondContact CA-OG 3.23Å; D702-S705 PolarHBondContact O-N 3.09Å; D702-S705 PolarHBondContact O-OG 2.86Å; D702-I706 WeakPolarHBondContact O-CB 3.31Å; D702-I706 VanDerWaalsContact O-CG1 3.25Å; D702-I706 WeakPolarHBondContact O-CG1 3.46Å; D702-I706 PolarHBondContact O-N 3.27Å |
| 703 | R | 64.4 | Low | 62.9 | Low | 191 Ų | 191 | 115 Ų | 115 | 72% | 0.721 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.7 | -27.4 | 171.1 | -75.9 | 176.6 | 174.9 | -162.8 | -2.3 | 113.3 | S699 T700 I701 R707 | S699-R703 WeakPolarHBondContact O-CD 3.23Å; S699-R703 VanDerWaalsContact O-CG 3.28Å; S699-R703 WeakPolarHBondContact O-CG 3.43Å; T700-R703 PolarHBondContact O-N 2.91Å; I701-R703 VanDerWaalsContact C-N 3.34Å; I701-R703 PolarHBondContact O-N 3.46Å; R703-R707 WeakPolarHBondContact O-CB 3.43Å; R703-R707 PolarHBondContact O-N 3.42Å |
| 704 | F | 63 | Low | 63.9 | Low | 151 Ų | 151 | 115.7 Ų | 115.7 | 66% | 0.662 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -81.2 | -42.7 | 173.4 | -95.8 | -85.3 | 0 | 0 | 0 | 112.3 | T700 I701 D702 R707 L708 | T700-F704 HydrophobicContact CG2-CD2 4.35Å; T700-F704 WeakPolarHBondContact O-CD2 3.24Å; T700-F704 PolarHBondContact O-N 2.86Å; I701-F704 CarbonylContact O-C 3.6Å; I701-F704 WeakPolarHBondContact O-CA 3.18Å; I701-F704 WeakPolarHBondContact O-CB 3.28Å; I701-F704 PolarHBondContact O-N 3.05Å; D702-F704 VanDerWaalsContact C-N 3.26Å; D702-F704 PolarHBondContact O-N 2.82Å; F704-R707 PolarHBondContact O-N 2.78Å; F704-L708 WeakPolarHBondContact O-CB 3.5Å; F704-L708 PolarHBondContact O-N 2.91Å |
| 705 | S | 63.9 | Low | 64.9 | Low | 59 Ų | 59 | 117 Ų | 117 | 41% | 0.413 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.1 | -47.5 | 179.4 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | I701 D702 R707 L708 G709 | I701-S705 PolarHBondContact O-N 3.28Å; I701-S705 PolarHBondContact O-OG 3.06Å; D702-S705 WeakPolarHBondContact CA-OG 3.23Å; D702-S705 PolarHBondContact O-N 3.09Å; D702-S705 PolarHBondContact O-OG 2.86Å; S705-R707 VanDerWaalsContact C-N 3.31Å; S705-R707 PolarHBondContact O-N 3.04Å; S705-L708 PolarHBondContact O-N 3.34Å; S705-G709 PolarHBondContact O-N 3Å |
| 706 | I | 69.2 | Low | 65.8 | Low | 93 Ų | 93 | 111.7 Ų | 111.7 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 176 | -66.5 | 169 | 0 | 0 | 0 | 110.1 | D702 I710 | D702-I706 WeakPolarHBondContact O-CB 3.31Å; D702-I706 VanDerWaalsContact O-CG1 3.25Å; D702-I706 WeakPolarHBondContact O-CG1 3.46Å; D702-I706 PolarHBondContact O-N 3.27Å; I706-I710 HydrophobicContact CG2-CD1 3.93Å; I706-I710 WeakPolarHBondContact O-CD1 3.33Å; I706-I710 VanDerWaalsContact O-CG1 3.26Å; I706-I710 WeakPolarHBondContact O-CG1 3.27Å; I706-I710 PolarHBondContact O-N 3.2Å |
| 707 | R | 69 | Low | 66.5 | Low | 186 Ų | 186 | 110.2 Ų | 110.2 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.8 | -40.3 | 179.2 | -172.1 | 162.7 | -68.1 | -169.4 | -2.3 | 112.3 | R703 F704 S705 I710 F711 | R703-R707 WeakPolarHBondContact O-CB 3.43Å; R703-R707 PolarHBondContact O-N 3.42Å; F704-R707 PolarHBondContact O-N 2.78Å; S705-R707 VanDerWaalsContact C-N 3.31Å; S705-R707 PolarHBondContact O-N 3.04Å; R707-I710 PolarHBondContact O-N 2.84Å; R707-F711 WeakPolarHBondContact O-CB 3.24Å; R707-F711 PolarHBondContact O-N 3.47Å |
| 708 | L | 69.4 | Low | 67.5 | Low | 107 Ų | 107 | 109 Ų | 109 | 56% | 0.56 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | 176.8 | -173.9 | 66.4 | 0 | 0 | 0 | 111.5 | F704 S705 F711 L712 | F704-L708 WeakPolarHBondContact O-CB 3.5Å; F704-L708 PolarHBondContact O-N 2.91Å; S705-L708 PolarHBondContact O-N 3.34Å; L708-F711 WeakPolarHBondContact O-CB 3.4Å; L708-F711 PolarHBondContact O-N 2.84Å; L708-F711 VanDerWaalsContact O-N 3.13Å; L708-L712 HydrophobicContact CD1-CD1 3.88Å; L708-L712 HydrophobicContact CG-CD1 4.2Å; L708-L712 PolarHBondContact O-N 3.09Å |
| 709 | G | 66.3 | Low | 68.7 | Low | 44 Ų | 44 | 114.2 Ų | 114.2 | 45% | 0.454 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S705 F711 R713 | S705-G709 PolarHBondContact O-N 3Å; G709-F711 VanDerWaalsContact C-N 3.33Å; G709-R713 WeakPolarHBondContact O-CB 3.44Å; G709-R713 PolarHBondContact O-N 3.34Å |
| 710 | I | 69.2 | Low | 69.5 | Low | 107 Ų | 107 | 116.5 Ų | 116.5 | 55% | 0.549 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.1 | -37.1 | 172.6 | -67.2 | 166.4 | 0 | 0 | 0 | 111.1 | I706 R707 R713 R714 | I706-I710 HydrophobicContact CG2-CD1 3.93Å; I706-I710 WeakPolarHBondContact O-CD1 3.33Å; I706-I710 VanDerWaalsContact O-CG1 3.26Å; I706-I710 WeakPolarHBondContact O-CG1 3.27Å; I706-I710 PolarHBondContact O-N 3.2Å; R707-I710 PolarHBondContact O-N 2.84Å; I710-R713 PolarHBondContact O-N 3.49Å; I710-R714 WeakPolarHBondContact O-CB 3.23Å; I710-R714 PolarHBondContact O-N 3.32Å |
| 711 | F | 66.4 | Low | 70.6 | Confident | 108 Ų | 108 | 119.8 Ų | 119.8 | 47% | 0.474 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.4 | -47.8 | 177.9 | -141 | -98.9 | 0 | 0 | 0 | 112 | R707 L708 G709 R713 R714 Y715 | R707-F711 WeakPolarHBondContact O-CB 3.24Å; R707-F711 PolarHBondContact O-N 3.47Å; L708-F711 WeakPolarHBondContact O-CB 3.4Å; L708-F711 PolarHBondContact O-N 2.84Å; L708-F711 VanDerWaalsContact O-N 3.13Å; G709-F711 VanDerWaalsContact C-N 3.33Å; F711-R713 VanDerWaalsContact C-N 3.28Å; F711-R713 PolarHBondContact O-N 3.24Å; F711-R714 PolarHBondContact O-N 3.07Å; F711-R714 VanDerWaalsContact O-N 3.1Å; F711-Y715 AromaticContact CD1-CD2 3.62Å; F711-Y715 HydrophobicContact CD1-CD2 3.62Å; F711-Y715 HydrophobicContact CD1-CE2 4.15Å; F711-Y715 HydrophobicContact CD2-CD2 4.14Å; F711-Y715 AromaticContact CD2-CE2 3.93Å; F711-Y715 HydrophobicContact CD2-CE2 3.93Å; F711-Y715 AromaticContact CE1-CD2 3.57Å; F711-Y715 HydrophobicContact CE1-CD2 3.57Å; F711-Y715 AromaticContact CE1-CE2 3.85Å; F711-Y715 HydrophobicContact CE1-CE2 3.85Å; F711-Y715 HydrophobicContact CE1-CG 4.43Å; F711-Y715 HydrophobicContact CE2-CD2 4.11Å; F711-Y715 AromaticContact CE2-CE2 3.61Å; F711-Y715 HydrophobicContact CE2-CE2 3.61Å; F711-Y715 AromaticContact CG-CD2 3.91Å; F711-Y715 HydrophobicContact CG-CD2 3.91Å; F711-Y715 HydrophobicContact CG-CE2 4.19Å; F711-Y715 AromaticContact CZ-CD2 3.83Å; F711-Y715 HydrophobicContact CZ-CD2 3.83Å; F711-Y715 AromaticContact CZ-CE2 3.56Å; F711-Y715 HydrophobicContact CZ-CE2 3.56Å; F711-Y715 WeakPolarHBondContact O-CD2 3.24Å; F711-Y715 PolarHBondContact O-N 3.08Å |
| 712 | L | 65.3 | Low | 71.5 | Confident | 58 Ų | 58 | 117 Ų | 117 | 30% | 0.304 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -30.9 | 175.9 | -96.1 | 64 | 0 | 0 | 0 | 112.6 | L708 V722 | L708-L712 HydrophobicContact CD1-CD1 3.88Å; L708-L712 HydrophobicContact CG-CD1 4.2Å; L708-L712 PolarHBondContact O-N 3.09Å; L712-V722 HydrophobicContact CD2-CG2 4.47Å |
| 713 | R | 69.9 | Low | 72.2 | Confident | 235 Ų | 235 | 117.6 Ų | 117.6 | 89% | 0.887 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -75.4 | -23.7 | 173.8 | -168.6 | 172.2 | -177.7 | 176.8 | 1.8 | 113.1 | G709 I710 F711 | G709-R713 WeakPolarHBondContact O-CB 3.44Å; G709-R713 PolarHBondContact O-N 3.34Å; I710-R713 PolarHBondContact O-N 3.49Å; F711-R713 VanDerWaalsContact C-N 3.28Å; F711-R713 PolarHBondContact O-N 3.24Å |
| 714 | R | 75.7 | Confident | 73.3 | Confident | 189 Ų | 189 | 113.2 Ų | 113.2 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -99.2 | -21.7 | -176.1 | -162 | 169.7 | -171.2 | 170.2 | 2.6 | 114.4 | I710 F711 | I710-R714 WeakPolarHBondContact O-CB 3.23Å; I710-R714 PolarHBondContact O-N 3.32Å; F711-R714 PolarHBondContact O-N 3.07Å; F711-R714 VanDerWaalsContact O-N 3.1Å |
| 715 | Y | 75.8 | Confident | 74.6 | Confident | 112 Ų | 112 | 113.5 Ų | 113.5 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | trans | -124.2 | 100.5 | -177.3 | -64.3 | -71.1 | 0 | 0 | 0 | 112.3 | F711 M717 A718 R719 | F711-Y715 AromaticContact CD1-CD2 3.62Å; F711-Y715 HydrophobicContact CD1-CD2 3.62Å; F711-Y715 HydrophobicContact CD1-CE2 4.15Å; F711-Y715 HydrophobicContact CD2-CD2 4.14Å; F711-Y715 AromaticContact CD2-CE2 3.93Å; F711-Y715 HydrophobicContact CD2-CE2 3.93Å; F711-Y715 AromaticContact CE1-CD2 3.57Å; F711-Y715 HydrophobicContact CE1-CD2 3.57Å; F711-Y715 AromaticContact CE1-CE2 3.85Å; F711-Y715 HydrophobicContact CE1-CE2 3.85Å; F711-Y715 HydrophobicContact CE1-CG 4.43Å; F711-Y715 HydrophobicContact CE2-CD2 4.11Å; F711-Y715 AromaticContact CE2-CE2 3.61Å; F711-Y715 HydrophobicContact CE2-CE2 3.61Å; F711-Y715 AromaticContact CG-CD2 3.91Å; F711-Y715 HydrophobicContact CG-CD2 3.91Å; F711-Y715 HydrophobicContact CG-CE2 4.19Å; F711-Y715 AromaticContact CZ-CD2 3.83Å; F711-Y715 HydrophobicContact CZ-CD2 3.83Å; F711-Y715 AromaticContact CZ-CE2 3.56Å; F711-Y715 HydrophobicContact CZ-CE2 3.56Å; F711-Y715 WeakPolarHBondContact O-CD2 3.24Å; F711-Y715 PolarHBondContact O-N 3.08Å; Y715-M717 VanDerWaalsContact C-N 3.27Å; Y715-M717 PolarHBondContact O-N 2.99Å; Y715-A718 WeakPolarHBondContact O-CB 3.37Å; Y715-A718 PolarHBondContact O-N 3.14Å; Y715-A718 VanDerWaalsContact O-N 3.12Å; Y715-R719 PolarHBondContact O-N 2.96Å | ||
| 716 | P | 73.5 | Confident | 75.5 | Confident | 98 Ų | 98 | 115.2 Ų | 115.2 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.5 | -32.1 | -179.1 | 24 | -33 | 0 | 0 | 0 | 112.9 | A718 R719 L720 | P716-A718 VanDerWaalsContact C-N 3.35Å; P716-A718 PolarHBondContact O-N 2.87Å; P716-R719 WeakPolarHBondContact O-CB 3.49Å; P716-R719 PolarHBondContact O-N 3.16Å; P716-R719 VanDerWaalsContact O-N 3.17Å; P716-L720 PolarHBondContact O-N 3.37Å; P716-L720 VanDerWaalsContact O-N 3.08Å |
| 717 | M | 72.8 | Confident | 76.4 | Confident | 127 Ų | 127 | 113.5 Ų | 113.5 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.8 | -37.5 | 175.6 | -57.1 | -58.4 | -83.8 | 0 | 0 | 112.3 | Y715 R719 L720 F721 | Y715-M717 VanDerWaalsContact C-N 3.27Å; Y715-M717 PolarHBondContact O-N 2.99Å; M717-R719 VanDerWaalsContact C-N 3.28Å; M717-R719 PolarHBondContact O-N 3.29Å; M717-L720 WeakPolarHBondContact O-CB 3.33Å; M717-L720 PolarHBondContact O-N 3Å; M717-L720 HydrophobicContact SD-CD1 4.08Å; M717-F721 VanDerWaalsContact O-CD2 3.24Å; M717-F721 WeakPolarHBondContact O-CD2 3.4Å; M717-F721 PolarHBondContact O-N 3.48Å |
| 718 | A | 75.9 | Confident | 77.4 | Confident | 26 Ų | 26 | 108.7 Ų | 108.7 | 22% | 0.215 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -65.3 | -34.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y715 P716 F721 V722 | Y715-A718 WeakPolarHBondContact O-CB 3.37Å; Y715-A718 PolarHBondContact O-N 3.14Å; Y715-A718 VanDerWaalsContact O-N 3.12Å; P716-A718 VanDerWaalsContact C-N 3.35Å; P716-A718 PolarHBondContact O-N 2.87Å; A718-F721 PolarHBondContact O-N 2.84Å; A718-V722 WeakPolarHBondContact O-CG2 3.5Å; A718-V722 PolarHBondContact O-N 3.43Å; A718-V722 VanDerWaalsContact O-N 3.07Å |
| 719 | R | 79.8 | Confident | 78.4 | Confident | 164 Ų | 164 | 106.6 Ų | 106.6 | 62% | 0.619 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 173.3 | -162.5 | -179.6 | -171.4 | 179.8 | 3 | 111.7 | Y715 P716 M717 V722 I723 | Y715-R719 PolarHBondContact O-N 2.96Å; P716-R719 WeakPolarHBondContact O-CB 3.49Å; P716-R719 PolarHBondContact O-N 3.16Å; P716-R719 VanDerWaalsContact O-N 3.17Å; M717-R719 VanDerWaalsContact C-N 3.28Å; M717-R719 PolarHBondContact O-N 3.29Å; R719-V722 PolarHBondContact O-N 2.79Å; R719-I723 HydrophobicContact CG-CD1 4.14Å; R719-I723 VanDerWaalsContact O-CG1 3.31Å; R719-I723 WeakPolarHBondContact O-CG1 3.37Å; R719-I723 PolarHBondContact O-N 2.99Å |
| 720 | L | 80.1 | Confident | 79.3 | Confident | 106 Ų | 106 | 110.3 Ų | 110.3 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 173.6 | -67.9 | 174.3 | 0 | 0 | 0 | 111.9 | P716 M717 V722 I723 L724 | P716-L720 PolarHBondContact O-N 3.37Å; P716-L720 VanDerWaalsContact O-N 3.08Å; M717-L720 WeakPolarHBondContact O-CB 3.33Å; M717-L720 PolarHBondContact O-N 3Å; M717-L720 HydrophobicContact SD-CD1 4.08Å; L720-V722 PolarHBondContact O-N 3.4Å; L720-I723 PolarHBondContact O-N 3.44Å; L720-L724 VanDerWaalsContact O-CB 3.25Å; L720-L724 WeakPolarHBondContact O-CB 3.34Å; L720-L724 PolarHBondContact O-N 3.44Å |
| 721 | F | 83 | Confident | 80.1 | Confident | 144 Ų | 144 | 110.4 Ų | 110.4 | 63% | 0.632 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -37.7 | 175.7 | -79.3 | -68.3 | 0 | 0 | 0 | 113.4 | M717 A718 L724 Y725 | M717-F721 VanDerWaalsContact O-CD2 3.24Å; M717-F721 WeakPolarHBondContact O-CD2 3.4Å; M717-F721 PolarHBondContact O-N 3.48Å; A718-F721 PolarHBondContact O-N 2.84Å; F721-L724 HydrophobicContact CD1-CD2 4.46Å; F721-Y725 VanDerWaalsContact O-CB 3.28Å; F721-Y725 WeakPolarHBondContact O-CB 3.48Å; F721-Y725 PolarHBondContact O-N 2.96Å |
| 722 | V | 81.1 | Confident | 81.2 | Confident | 65 Ų | 65 | 113 Ų | 113 | 39% | 0.394 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | L712 A718 R719 L720 Y725 M726 | L712-V722 HydrophobicContact CD2-CG2 4.47Å; A718-V722 WeakPolarHBondContact O-CG2 3.5Å; A718-V722 PolarHBondContact O-N 3.43Å; A718-V722 VanDerWaalsContact O-N 3.07Å; R719-V722 PolarHBondContact O-N 2.79Å; L720-V722 PolarHBondContact O-N 3.4Å; V722-Y725 PolarHBondContact O-N 2.98Å; V722-M726 WeakPolarHBondContact O-CG 3.47Å; V722-M726 PolarHBondContact O-N 2.85Å |
| 723 | I | 82.2 | Confident | 82.1 | Confident | 99 Ų | 99 | 113 Ų | 113 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 175.6 | -68.1 | 165.9 | 0 | 0 | 0 | 110.7 | R719 L720 M726 A727 | R719-I723 HydrophobicContact CG-CD1 4.14Å; R719-I723 VanDerWaalsContact O-CG1 3.31Å; R719-I723 WeakPolarHBondContact O-CG1 3.37Å; R719-I723 PolarHBondContact O-N 2.99Å; L720-I723 PolarHBondContact O-N 3.44Å; I723-M726 PolarHBondContact O-N 3.42Å; I723-A727 WeakPolarHBondContact O-CB 3.49Å; I723-A727 PolarHBondContact O-N 3.3Å |
| 724 | L | 87.4 | Confident | 82.6 | Confident | 100 Ų | 100 | 106.9 Ų | 106.9 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 174.8 | -176.4 | 72 | 0 | 0 | 0 | 111.2 | L720 F721 M726 A727 V728 | L720-L724 VanDerWaalsContact O-CB 3.25Å; L720-L724 WeakPolarHBondContact O-CB 3.34Å; L720-L724 PolarHBondContact O-N 3.44Å; F721-L724 HydrophobicContact CD1-CD2 4.46Å; L724-M726 PolarHBondContact O-N 2.95Å; L724-A727 PolarHBondContact O-N 3.21Å; L724-V728 WeakPolarHBondContact O-CB 3.44Å; L724-V728 VanDerWaalsContact O-CG2 3.32Å; L724-V728 WeakPolarHBondContact O-CG2 3.07Å; L724-V728 PolarHBondContact O-N 2.9Å |
| 725 | Y | 91 | Very high | 82.9 | Confident | 156 Ų | 156 | 101.8 Ų | 101.8 | 61% | 0.612 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.4 | -45 | 176.1 | 178.5 | -97.5 | 0 | 0 | 0 | 111.7 | F721 V722 V728 L729 | F721-Y725 VanDerWaalsContact O-CB 3.28Å; F721-Y725 WeakPolarHBondContact O-CB 3.48Å; F721-Y725 PolarHBondContact O-N 2.96Å; V722-Y725 PolarHBondContact O-N 2.98Å; Y725-V728 PolarHBondContact O-N 2.82Å; Y725-L729 HydrophobicContact CE1-CD1 3.89Å; Y725-L729 VanDerWaalsContact O-CB 3.27Å; Y725-L729 WeakPolarHBondContact O-CB 3.4Å; Y725-L729 PolarHBondContact O-N 3.46Å |
| 726 | M | 83.3 | Confident | 83.3 | Confident | 96 Ų | 96 | 99 Ų | 99 | 47% | 0.473 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 174.8 | -77.2 | -66.1 | -177.8 | 0 | 0 | 112.3 | V722 I723 L724 L729 H730 | V722-M726 WeakPolarHBondContact O-CG 3.47Å; V722-M726 PolarHBondContact O-N 2.85Å; I723-M726 PolarHBondContact O-N 3.42Å; L724-M726 PolarHBondContact O-N 2.95Å; M726-L729 PolarHBondContact O-N 3.22Å; M726-H730 PolarHBondContact O-N 2.95Å; M726-H730 PolarHBondContact O-ND1 3.14Å |
| 727 | A | 86.8 | Confident | 83.4 | Confident | 56 Ų | 56 | 100.5 Ų | 100.5 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I723 L724 H730 L731 | I723-A727 WeakPolarHBondContact O-CB 3.49Å; I723-A727 PolarHBondContact O-N 3.3Å; L724-A727 PolarHBondContact O-N 3.21Å; A727-H730 PolarHBondContact O-N 2.92Å; A727-L731 WeakPolarHBondContact O-CB 3.31Å; A727-L731 PolarHBondContact O-N 3.43Å |
| 728 | V | 90.8 | Very high | 83.4 | Confident | 86 Ų | 86 | 100 Ų | 100 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | L724 Y725 L731 W732 | L724-V728 WeakPolarHBondContact O-CB 3.44Å; L724-V728 VanDerWaalsContact O-CG2 3.32Å; L724-V728 WeakPolarHBondContact O-CG2 3.07Å; L724-V728 PolarHBondContact O-N 2.9Å; Y725-V728 PolarHBondContact O-N 2.82Å; V728-L731 PolarHBondContact O-N 2.77Å; V728-W732 VanDerWaalsContact O-CB 3.29Å; V728-W732 WeakPolarHBondContact O-CB 3.42Å; V728-W732 PolarHBondContact O-N 3.25Å |
| 729 | L | 90.6 | Very high | 83.2 | Confident | 62 Ų | 62 | 103.3 Ų | 103.3 | 33% | 0.325 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 175.5 | -170 | 161.6 | 0 | 0 | 0 | 111.2 | Y725 M726 W732 V733 | Y725-L729 HydrophobicContact CE1-CD1 3.89Å; Y725-L729 VanDerWaalsContact O-CB 3.27Å; Y725-L729 WeakPolarHBondContact O-CB 3.4Å; Y725-L729 PolarHBondContact O-N 3.46Å; M726-L729 PolarHBondContact O-N 3.22Å; L729-W732 PolarHBondContact O-N 3.23Å; L729-V733 HydrophobicContact CD2-CG2 4.07Å; L729-V733 WeakPolarHBondContact O-CG2 3.3Å; L729-V733 PolarHBondContact O-N 3.4Å |
| 730 | H | 84 | Confident | 82.3 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -39.8 | 175.8 | -75.2 | 73.6 | 0 | 0 | 0 | 111.7 | M726 A727 W732 V733 M734 | M726-H730 PolarHBondContact O-N 2.95Å; M726-H730 PolarHBondContact O-ND1 3.14Å; A727-H730 PolarHBondContact O-N 2.92Å; H730-W732 VanDerWaalsContact C-N 3.34Å; H730-V733 PolarHBondContact O-N 2.83Å; H730-M734 VanDerWaalsContact O-CB 3.24Å; H730-M734 WeakPolarHBondContact O-CB 3.48Å; H730-M734 PolarHBondContact O-N 3.25Å |
| 731 | L | 87.6 | Confident | 81 | Confident | 110 Ų | 110 | 105 Ų | 105 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.6 | -35 | 175.1 | -175.3 | 142.6 | 0 | 0 | 0 | 111.8 | A727 V728 M734 I735 | A727-L731 WeakPolarHBondContact O-CB 3.31Å; A727-L731 PolarHBondContact O-N 3.43Å; V728-L731 PolarHBondContact O-N 2.77Å; L731-M734 PolarHBondContact O-N 2.88Å; L731-I735 HydrophobicContact CD2-CD1 3.6Å; L731-I735 HydrophobicContact CD2-CG1 4.44Å; L731-I735 HydrophobicContact CG-CD1 4.44Å; L731-I735 WeakPolarHBondContact O-CB 3.49Å; L731-I735 VanDerWaalsContact O-CG1 3.25Å; L731-I735 WeakPolarHBondContact O-CG1 3.29Å; L731-I735 PolarHBondContact O-N 3.16Å |
| 732 | W | 88.3 | Confident | 79.6 | Confident | 162 Ų | 162 | 103.4 Ų | 103.4 | 61% | 0.614 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.6 | -46.3 | 171.4 | 178.3 | 83 | 0 | 0 | 0 | 112 | V728 L729 H730 M734 I735 V736 | V728-W732 VanDerWaalsContact O-CB 3.29Å; V728-W732 WeakPolarHBondContact O-CB 3.42Å; V728-W732 PolarHBondContact O-N 3.25Å; L729-W732 PolarHBondContact O-N 3.23Å; H730-W732 VanDerWaalsContact C-N 3.34Å; W732-M734 VanDerWaalsContact C-N 3.29Å; W732-M734 PolarHBondContact O-N 3.27Å; W732-I735 PolarHBondContact O-N 2.7Å; W732-V736 HydrophobicContact CD2-CG2 4.23Å; W732-V736 HydrophobicContact CH2-CG2 4.26Å; W732-V736 HydrophobicContact CZ2-CG2 3.94Å; W732-V736 WeakPolarHBondContact O-CG2 3.41Å; W732-V736 PolarHBondContact O-N 2.94Å |
| 733 | V | 84.3 | Confident | 77.8 | Confident | 58 Ų | 58 | 108.7 Ų | 108.7 | 35% | 0.352 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.7 | -39.3 | 174.2 | 171 | 0 | 0 | 0 | 0 | 111.2 | L729 H730 V736 L737 | L729-V733 HydrophobicContact CD2-CG2 4.07Å; L729-V733 WeakPolarHBondContact O-CG2 3.3Å; L729-V733 PolarHBondContact O-N 3.4Å; H730-V733 PolarHBondContact O-N 2.83Å; V733-V736 PolarHBondContact O-N 3.3Å; V733-L737 HydrophobicContact CG1-CD1 4Å; V733-L737 WeakPolarHBondContact O-CG 3.19Å; V733-L737 PolarHBondContact O-N 2.76Å |
| 734 | M | 79.8 | Confident | 76 | Confident | 107 Ų | 107 | 112.3 Ų | 112.3 | 53% | 0.527 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.6 | -35.8 | 179.5 | -159.4 | -94 | 175.3 | 0 | 0 | 112 | H730 L731 W732 L737 L738 | H730-M734 VanDerWaalsContact O-CB 3.24Å; H730-M734 WeakPolarHBondContact O-CB 3.48Å; H730-M734 PolarHBondContact O-N 3.25Å; L731-M734 PolarHBondContact O-N 2.88Å; W732-M734 VanDerWaalsContact C-N 3.29Å; W732-M734 PolarHBondContact O-N 3.27Å; M734-L737 PolarHBondContact O-N 3.24Å; M734-L738 HydrophobicContact CE-CD1 3.65Å; M734-L738 HydrophobicContact CE-CD2 4.27Å; M734-L738 HydrophobicContact CE-CG 3.95Å; M734-L738 WeakPolarHBondContact O-CB 3.41Å; M734-L738 WeakPolarHBondContact O-CG 3.47Å; M734-L738 PolarHBondContact O-N 2.81Å; M734-L738 HydrophobicContact SD-CD1 3.5Å; M734-L738 WeakPolarHBondContact SD-CD1 3.35Å; M734-L738 HydrophobicContact SD-CG 3.97Å |
| 735 | I | 83 | Confident | 74.1 | Confident | 82 Ų | 82 | 115.7 Ų | 115.7 | 42% | 0.421 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.7 | -46.9 | 166.6 | -76.1 | 169.9 | 0 | 0 | 0 | 110.7 | L731 W732 L737 L738 T739 | L731-I735 HydrophobicContact CD2-CD1 3.6Å; L731-I735 HydrophobicContact CD2-CG1 4.44Å; L731-I735 HydrophobicContact CG-CD1 4.44Å; L731-I735 WeakPolarHBondContact O-CB 3.49Å; L731-I735 VanDerWaalsContact O-CG1 3.25Å; L731-I735 WeakPolarHBondContact O-CG1 3.29Å; L731-I735 PolarHBondContact O-N 3.16Å; W732-I735 PolarHBondContact O-N 2.7Å; I735-L737 VanDerWaalsContact C-N 3.35Å; I735-L737 PolarHBondContact O-N 3.48Å; I735-L738 PolarHBondContact O-N 2.72Å; I735-T739 HydrophobicContact CG2-CG2 4.2Å; I735-T739 WeakPolarHBondContact O-CB 3.46Å; I735-T739 WeakPolarHBondContact O-CG2 3.44Å; I735-T739 PolarHBondContact O-N 2.8Å; I735-T739 PolarHBondContact O-OG1 3.29Å |
| 736 | V | 83.4 | Confident | 72 | Confident | 53 Ų | 53 | 112 Ų | 112 | 32% | 0.321 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.1 | -46.1 | 177 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | W732 V733 L738 T739 Y740 | W732-V736 HydrophobicContact CD2-CG2 4.23Å; W732-V736 HydrophobicContact CH2-CG2 4.26Å; W732-V736 HydrophobicContact CZ2-CG2 3.94Å; W732-V736 WeakPolarHBondContact O-CG2 3.41Å; W732-V736 PolarHBondContact O-N 2.94Å; V733-V736 PolarHBondContact O-N 3.3Å; V736-L738 VanDerWaalsContact C-N 3.33Å; V736-L738 PolarHBondContact O-N 3.3Å; V736-T739 PolarHBondContact O-N 3.44Å; V736-Y740 WeakPolarHBondContact O-CB 3.37Å; V736-Y740 PolarHBondContact O-N 2.73Å |
| 737 | L | 77.1 | Confident | 69.9 | Low | 130 Ų | 130 | 112.8 Ų | 112.8 | 68% | 0.681 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.1 | -28.9 | 177.5 | -73.5 | 167.7 | 0 | 0 | 0 | 114.2 | V733 M734 I735 | V733-L737 HydrophobicContact CG1-CD1 4Å; V733-L737 WeakPolarHBondContact O-CG 3.19Å; V733-L737 PolarHBondContact O-N 2.76Å; M734-L737 PolarHBondContact O-N 3.24Å; I735-L737 VanDerWaalsContact C-N 3.35Å; I735-L737 PolarHBondContact O-N 3.48Å |
| 738 | L | 71.9 | Confident | 68.7 | Low | 116 Ų | 116 | 115.9 Ų | 115.9 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -83.9 | -27.3 | 174.6 | -75.3 | -178.6 | 0 | 0 | 0 | 113.8 | M734 I735 V736 | M734-L738 HydrophobicContact CE-CD1 3.65Å; M734-L738 HydrophobicContact CE-CD2 4.27Å; M734-L738 HydrophobicContact CE-CG 3.95Å; M734-L738 WeakPolarHBondContact O-CB 3.41Å; M734-L738 WeakPolarHBondContact O-CG 3.47Å; M734-L738 PolarHBondContact O-N 2.81Å; M734-L738 HydrophobicContact SD-CD1 3.5Å; M734-L738 WeakPolarHBondContact SD-CD1 3.35Å; M734-L738 HydrophobicContact SD-CG 3.97Å; I735-L738 PolarHBondContact O-N 2.72Å; V736-L738 VanDerWaalsContact C-N 3.33Å; V736-L738 PolarHBondContact O-N 3.3Å |
| 739 | T | 71.6 | Confident | 66.7 | Low | 96 Ų | 96 | 120 Ų | 120 | 59% | 0.589 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -96.2 | -24.5 | -177.1 | 53 | 0 | 0 | 0 | 0 | 113 | I735 V736 T741 | I735-T739 HydrophobicContact CG2-CG2 4.2Å; I735-T739 WeakPolarHBondContact O-CB 3.46Å; I735-T739 WeakPolarHBondContact O-CG2 3.44Å; I735-T739 PolarHBondContact O-N 2.8Å; I735-T739 PolarHBondContact O-OG1 3.29Å; V736-T739 PolarHBondContact O-N 3.44Å; T739-T741 PolarHBondContact O-N 2.96Å |
| 740 | Y | 61.7 | Low | 64.5 | Low | 193 Ų | 193 | 120 Ų | 120 | 76% | 0.757 | 66% | 0.659 | S | S | * | * | trans | -91.4 | 77.1 | 163.7 | -95.7 | -92.8 | 0 | 0 | 0 | 110.6 | V736 P742 | V736-Y740 WeakPolarHBondContact O-CB 3.37Å; V736-Y740 PolarHBondContact O-N 2.73Å; Y740-P742 WeakPolarHBondContact O-CD 3.26Å | ||
| 741 | T | 51.3 | Low | 62.3 | Low | 113 Ų | 113 | 129.6 Ų | 129.6 | 69% | 0.693 | 69% | 0.69 | S | S | * | * | trans | -62.5 | 122.2 | 156.5 | 48 | 0 | 0 | 0 | 0 | 108.4 | T739 | T739-T741 PolarHBondContact O-N 2.96Š| ||
| 742 | P | 53.4 | Low | 61.1 | Low | 110 Ų | 110 | 130.6 Ų | 130.6 | 71% | 0.714 | 70% | 0.696 | S | S | * | * | trans | -68.3 | 136.7 | -178.2 | 27.2 | -34.1 | 0 | 0 | 0 | 111.1 | Y740 M744 | Y740-P742 WeakPolarHBondContact O-CD 3.26Å; P742-M744 PolarHBondContact O-N 2.87Å | ||
| 743 | E | 43.7 | Very low | 59.6 | Low | 175 Ų | 175 | 128.9 Ų | 128.9 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -68 | 93.3 | 174.1 | -70.3 | -170 | 144 | 0 | 0 | 110.7 | H745 | E743-H745 PolarHBondContact O-N 3.02Å; E743-H745 PolarHBondContact O-ND1 3.26Å | ||
| 744 | M | 46 | Very low | 58.3 | Low | 176 Ų | 176 | 132.9 Ų | 132.9 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | trans | -52 | 105.6 | 170.5 | -77.2 | -76.5 | -72.3 | 0 | 0 | 110 | P742 G746 | P742-M744 PolarHBondContact O-N 2.87Å; M744-G746 PolarHBondContact O-N 3Å; M744-G746 VanDerWaalsContact O-N 3.16Å | ||
| 745 | H | 47.2 | Very low | 57 | Low | 170 Ų | 170 | 134.4 Ų | 134.4 | 79% | 0.787 | 73% | 0.731 | S | S | * | * | trans | -63 | 116.7 | 174.1 | -76.4 | 34.3 | 0 | 0 | 0 | 109.2 | E743 S747 | E743-H745 PolarHBondContact O-N 3.02Å; E743-H745 PolarHBondContact O-ND1 3.26Å; H745-S747 PolarHBondContact O-N 3.01Å; H745-S747 VanDerWaalsContact O-N 3.16Å | ||
| 746 | G | 45.7 | Very low | 55.4 | Low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -67.9 | 109.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | M744 | M744-G746 PolarHBondContact O-N 3Å; M744-G746 VanDerWaalsContact O-N 3.16Å | ||
| 747 | S | 39.3 | Very low | 53.5 | Low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -67.2 | 135.3 | 172.1 | -63.4 | 0 | 0 | 0 | 0 | 111 | H745 | H745-S747 PolarHBondContact O-N 3.01Å; H745-S747 VanDerWaalsContact O-N 3.16Å | ||
| 748 | P | 62.8 | Low | 51.8 | Low | 120 Ų | 120 | 144.3 Ų | 144.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -83.6 | 124.1 | 174.1 | 32.5 | -31.9 | 0 | 0 | 0 | 111.2 | ||||
| 749 | D | 47.4 | Very low | 50.3 | Low | 173 Ų | 173 | 146.5 Ų | 146.5 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -161.7 | 155.1 | 152.3 | -108.4 | -23.3 | 0 | 0 | 0 | 108.3 | ||||
| 750 | G | 45.7 | Very low | 48.5 | Very low | 63 Ų | 63 | 150.7 Ų | 150.7 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | cis | 148.8 | 4.6 | 0.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 751 | R | 37.7 | Very low | 47.3 | Very low | 323 Ų | 323 | 146.8 Ų | 146.8 | 100% | 1.219 | 82% | 0.823 | S | S | * | * | trans | -157.6 | 0 | 175.5 | -117 | 171.2 | -175.5 | 179.5 | 1.1 | 113.3 |
Retrieved 751 of 751 residues in 740.5 ms
(Link to these results)