| 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 | 52.5 | Low | 68.5 | Low | 216 Ų | 216 | 106 Ų | 106 | 100% | 1.064 | 60% | 0.595 | S | S | * | * | 0 | 1.6 | 0 | -71.9 | -173.2 | 172.3 | 0 | 0 | 114.5 | W3 | M1-W3 PolarHBondContact O-N 3.22Š| |||
| 2 | S | 53.2 | Low | 70.1 | Confident | 96 Ų | 96 | 107.9 Ų | 107.9 | 67% | 0.671 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.6 | -25 | -173.6 | 70.2 | 0 | 0 | 0 | 0 | 115.6 | L4 A5 D6 | S2-L4 PolarHBondContact O-N 3.13Å; S2-A5 WeakPolarHBondContact O-CB 3.41Å; S2-A5 PolarHBondContact O-N 3.25Å; S2-D6 PolarHBondContact O-N 2.81Å; S2-D6 VanDerWaalsContact O-N 3.08Å |
| 3 | W | 60.3 | Low | 71.2 | Confident | 192 Ų | 192 | 108.5 Ų | 108.5 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.1 | -28.1 | -179.9 | 82.1 | -54.7 | 0 | 0 | 0 | 114.4 | M1 L7 | M1-W3 PolarHBondContact O-N 3.22Å; W3-L7 WeakPolarHBondContact O-CB 3.45Å; W3-L7 PolarHBondContact O-N 3.34Å |
| 4 | L | 61.9 | Low | 72.2 | Confident | 104 Ų | 104 | 108.9 Ų | 108.9 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74.5 | -31.4 | 174 | -82.2 | 165.4 | 0 | 0 | 0 | 112.2 | S2 A8 | S2-L4 PolarHBondContact O-N 3.13Å; L4-A8 VanDerWaalsContact O-CB 3.25Å; L4-A8 WeakPolarHBondContact O-CB 3.47Å; L4-A8 PolarHBondContact O-N 2.95Å |
| 5 | A | 70 | Confident | 73 | Confident | 67 Ų | 67 | 109.3 Ų | 109.3 | 55% | 0.554 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.1 | -41.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S2 L7 A8 G9 | S2-A5 WeakPolarHBondContact O-CB 3.41Å; S2-A5 PolarHBondContact O-N 3.25Å; A5-L7 VanDerWaalsContact C-N 3.34Å; A5-L7 PolarHBondContact O-N 3.02Å; A5-A8 PolarHBondContact O-N 3.43Å; A5-G9 PolarHBondContact O-N 2.93Å |
| 6 | D | 67.1 | Low | 73.6 | Confident | 99 Ų | 99 | 107.6 Ų | 107.6 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.1 | -39 | 173.3 | -109.5 | 41.3 | 0 | 0 | 0 | 112.7 | S2 K10 | S2-D6 PolarHBondContact O-N 2.81Å; S2-D6 VanDerWaalsContact O-N 3.08Å; D6-K10 WeakPolarHBondContact O-CB 3.22Å; D6-K10 WeakPolarHBondContact O-CD 3.48Å; D6-K10 VanDerWaalsContact O-CG 3.26Å; D6-K10 WeakPolarHBondContact O-CG 3.42Å; D6-K10 PolarHBondContact O-N 3.2Å; D6-K10 VanDerWaalsContact O-N 3.1Å; D6-K10 IonicContact OD2-NZ 2.73Å |
| 7 | L | 71.4 | Confident | 74.2 | Confident | 106 Ų | 106 | 113 Ų | 113 | 56% | 0.555 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.6 | -37.9 | 177.4 | -169.5 | 64.3 | 0 | 0 | 0 | 111.8 | W3 A5 K10 A11 | W3-L7 WeakPolarHBondContact O-CB 3.45Å; W3-L7 PolarHBondContact O-N 3.34Å; A5-L7 VanDerWaalsContact C-N 3.34Å; A5-L7 PolarHBondContact O-N 3.02Å; L7-K10 PolarHBondContact O-N 3.29Å; L7-A11 WeakPolarHBondContact O-CB 3.31Å; L7-A11 PolarHBondContact O-N 3.06Å |
| 8 | A | 75.6 | Confident | 74.8 | Confident | 58 Ų | 58 | 111.3 Ų | 111.3 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.2 | -46 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L4 A5 K10 A11 E12 | L4-A8 VanDerWaalsContact O-CB 3.25Å; L4-A8 WeakPolarHBondContact O-CB 3.47Å; L4-A8 PolarHBondContact O-N 2.95Å; A5-A8 PolarHBondContact O-N 3.43Å; A8-K10 VanDerWaalsContact C-N 3.35Å; A8-K10 PolarHBondContact O-N 3.18Å; A8-A11 WeakPolarHBondContact O-CB 3.26Å; A8-A11 PolarHBondContact O-N 3.22Å; A8-A11 VanDerWaalsContact O-N 3.11Å; A8-E12 WeakPolarHBondContact O-CB 3.32Å; A8-E12 PolarHBondContact O-N 3.01Å |
| 9 | G | 79.1 | Confident | 75.2 | Confident | 34 Ų | 34 | 110.8 Ų | 110.8 | 35% | 0.351 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.7 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A5 A11 E12 D13 | A5-G9 PolarHBondContact O-N 2.93Å; G9-A11 VanDerWaalsContact C-N 3.33Å; G9-A11 PolarHBondContact O-N 2.79Å; G9-E12 PolarHBondContact O-N 3.34Å; G9-D13 WeakPolarHBondContact O-CB 3.24Å; G9-D13 PolarHBondContact O-N 3.37Å |
| 10 | K | 80.5 | Confident | 75.4 | Confident | 135 Ų | 135 | 112.1 Ų | 112.1 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.6 | -31 | 173.5 | -73.6 | 166.4 | -172.7 | 160.8 | 0 | 113.1 | D6 L7 A8 L14 | D6-K10 WeakPolarHBondContact O-CB 3.22Å; D6-K10 WeakPolarHBondContact O-CD 3.48Å; D6-K10 VanDerWaalsContact O-CG 3.26Å; D6-K10 WeakPolarHBondContact O-CG 3.42Å; D6-K10 PolarHBondContact O-N 3.2Å; D6-K10 VanDerWaalsContact O-N 3.1Å; D6-K10 IonicContact OD2-NZ 2.73Å; L7-K10 PolarHBondContact O-N 3.29Å; A8-K10 VanDerWaalsContact C-N 3.35Å; A8-K10 PolarHBondContact O-N 3.18Å; K10-L14 WeakPolarHBondContact O-CB 3.45Å; K10-L14 PolarHBondContact O-N 2.96Å |
| 11 | A | 82.3 | Confident | 75.6 | Confident | 59 Ų | 59 | 108.7 Ų | 108.7 | 49% | 0.488 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -73.1 | -39.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 A8 G9 L14 L15 | L7-A11 WeakPolarHBondContact O-CB 3.31Å; L7-A11 PolarHBondContact O-N 3.06Å; A8-A11 WeakPolarHBondContact O-CB 3.26Å; A8-A11 PolarHBondContact O-N 3.22Å; A8-A11 VanDerWaalsContact O-N 3.11Å; G9-A11 VanDerWaalsContact C-N 3.33Å; G9-A11 PolarHBondContact O-N 2.79Å; A11-L14 PolarHBondContact O-N 3.43Å; A11-L15 WeakPolarHBondContact O-CB 3.5Å; A11-L15 PolarHBondContact O-N 2.83Å |
| 12 | E | 87.7 | Confident | 76.6 | Confident | 129 Ų | 129 | 101 Ų | 101 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.6 | -44.6 | 174.3 | -175.3 | 176.5 | -174.5 | 0 | 0 | 111.7 | A8 G9 L14 L15 N16 | A8-E12 WeakPolarHBondContact O-CB 3.32Å; A8-E12 PolarHBondContact O-N 3.01Å; G9-E12 PolarHBondContact O-N 3.34Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 2.93Å; E12-L15 PolarHBondContact O-N 2.96Å; E12-N16 WeakPolarHBondContact O-CB 3.4Å; E12-N16 PolarHBondContact O-N 2.95Å |
| 13 | D | 84.5 | Confident | 77.4 | Confident | 115 Ų | 115 | 99.3 Ų | 99.3 | 62% | 0.615 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -35.4 | 177.4 | -153.5 | 39.7 | 0 | 0 | 0 | 111.9 | G9 R17 | G9-D13 WeakPolarHBondContact O-CB 3.24Å; G9-D13 PolarHBondContact O-N 3.37Å; D13-R17 VanDerWaalsContact O-CB 3.23Å; D13-R17 WeakPolarHBondContact O-CB 3.11Å; D13-R17 PolarHBondContact O-N 2.92Å; D13-R17 VanDerWaalsContact O-N 3.08Å |
| 14 | L | 84.8 | Confident | 78 | Confident | 114 Ų | 114 | 93.6 Ų | 93.6 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.8 | -40.3 | 173 | -156.7 | 159.8 | 0 | 0 | 0 | 111.3 | K10 A11 E12 R17 V18 | K10-L14 WeakPolarHBondContact O-CB 3.45Å; K10-L14 PolarHBondContact O-N 2.96Å; A11-L14 PolarHBondContact O-N 3.43Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 2.93Å; L14-R17 PolarHBondContact O-N 3.07Å; L14-V18 HydrophobicContact CD2-CG2 4.04Å; L14-V18 WeakPolarHBondContact O-CG2 3.37Å; L14-V18 PolarHBondContact O-N 3.44Å |
| 15 | L | 84.2 | Confident | 78.3 | Confident | 116 Ų | 116 | 91.6 Ų | 91.6 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -49 | 176.4 | -150.4 | 85.8 | 0 | 0 | 0 | 111.5 | A11 E12 R17 V18 D19 | A11-L15 WeakPolarHBondContact O-CB 3.5Å; A11-L15 PolarHBondContact O-N 2.83Å; E12-L15 PolarHBondContact O-N 2.96Å; L15-R17 PolarHBondContact O-N 2.83Å; L15-V18 WeakPolarHBondContact O-CB 3.38Å; L15-V18 PolarHBondContact O-N 3.47Å; L15-V18 VanDerWaalsContact O-N 3.07Å; L15-D19 PolarHBondContact O-N 3.37Å |
| 16 | N | 83.3 | Confident | 77.9 | Confident | 81 Ų | 81 | 94 Ų | 94 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.5 | -38 | 175.6 | -82.9 | -31.7 | 0 | 0 | 0 | 112.1 | E12 D19 Q20 | E12-N16 WeakPolarHBondContact O-CB 3.4Å; E12-N16 PolarHBondContact O-N 2.95Å; N16-D19 PolarHBondContact O-N 2.9Å; N16-Q20 WeakPolarHBondContact O-CB 3.28Å; N16-Q20 WeakPolarHBondContact O-CG 3.37Å; N16-Q20 PolarHBondContact O-N 3.35Å |
| 17 | R | 82.5 | Confident | 77.8 | Confident | 200 Ų | 200 | 92.4 Ų | 92.4 | 76% | 0.755 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -74.1 | -29.2 | 177.6 | -176.1 | 171.1 | 149.6 | 151.3 | -4.2 | 113.1 | D13 L14 L15 G21 | D13-R17 VanDerWaalsContact O-CB 3.23Å; D13-R17 WeakPolarHBondContact O-CB 3.11Å; D13-R17 PolarHBondContact O-N 2.92Å; D13-R17 VanDerWaalsContact O-N 3.08Å; L14-R17 PolarHBondContact O-N 3.07Å; L15-R17 PolarHBondContact O-N 2.83Å; R17-G21 PolarHBondContact O-N 3.29Å |
| 18 | V | 85.1 | Confident | 77.2 | Confident | 83 Ų | 83 | 95.1 Ų | 95.1 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.7 | -44.7 | 169.3 | 167.3 | 0 | 0 | 0 | 0 | 110.6 | L14 L15 G21 A22 | L14-V18 HydrophobicContact CD2-CG2 4.04Å; L14-V18 WeakPolarHBondContact O-CG2 3.37Å; L14-V18 PolarHBondContact O-N 3.44Å; L15-V18 WeakPolarHBondContact O-CB 3.38Å; L15-V18 PolarHBondContact O-N 3.47Å; L15-V18 VanDerWaalsContact O-N 3.07Å; V18-G21 CarbonylContact O-C 3.58Å; V18-G21 WeakPolarHBondContact O-CA 3.45Å; V18-G21 PolarHBondContact O-N 2.75Å; V18-G21 VanDerWaalsContact O-N 3.16Å; V18-A22 WeakPolarHBondContact O-CB 3.28Å; V18-A22 PolarHBondContact O-N 2.79Å |
| 19 | D | 82.8 | Confident | 76.2 | Confident | 102 Ų | 102 | 99.3 Ų | 99.3 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 177.7 | -86.9 | 3.3 | 0 | 0 | 0 | 112.3 | L15 N16 G21 A22 A23 | L15-D19 PolarHBondContact O-N 3.37Å; N16-D19 PolarHBondContact O-N 2.9Å; D19-G21 VanDerWaalsContact C-N 3.31Å; D19-G21 PolarHBondContact O-N 2.73Å; D19-A22 PolarHBondContact O-N 2.76Å; D19-A23 VanDerWaalsContact O-CB 3.28Å; D19-A23 WeakPolarHBondContact O-CB 3.34Å; D19-A23 PolarHBondContact O-N 3.12Å |
| 20 | Q | 79.9 | Confident | 74.9 | Confident | 136 Ų | 136 | 102.8 Ų | 102.8 | 64% | 0.636 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.8 | -35.7 | 171.2 | -75.1 | -179.1 | 6.8 | 0 | 0 | 112.5 | N16 S24 | N16-Q20 WeakPolarHBondContact O-CB 3.28Å; N16-Q20 WeakPolarHBondContact O-CG 3.37Å; N16-Q20 PolarHBondContact O-N 3.35Å; Q20-S24 VanDerWaalsContact O-CB 3.23Å; Q20-S24 WeakPolarHBondContact O-CB 3.48Å; Q20-S24 PolarHBondContact O-N 2.88Å; Q20-S24 PolarHBondContact O-OG 3.49Å |
| 21 | G | 80 | Confident | 73.2 | Confident | 41 Ų | 41 | 101.5 Ų | 101.5 | 42% | 0.423 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.4 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R17 V18 D19 S24 A25 | R17-G21 PolarHBondContact O-N 3.29Å; V18-G21 CarbonylContact O-C 3.58Å; V18-G21 WeakPolarHBondContact O-CA 3.45Å; V18-G21 PolarHBondContact O-N 2.75Å; V18-G21 VanDerWaalsContact O-N 3.16Å; D19-G21 VanDerWaalsContact C-N 3.31Å; D19-G21 PolarHBondContact O-N 2.73Å; G21-S24 PolarHBondContact O-N 3.41Å; G21-A25 WeakPolarHBondContact O-CB 3.38Å; G21-A25 PolarHBondContact O-N 3.08Å |
| 22 | A | 73 | Confident | 71.4 | Confident | 54 Ų | 54 | 103.2 Ų | 103.2 | 45% | 0.446 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.8 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V18 D19 S24 A25 L26 | V18-A22 WeakPolarHBondContact O-CB 3.28Å; V18-A22 PolarHBondContact O-N 2.79Å; D19-A22 PolarHBondContact O-N 2.76Å; A22-S24 VanDerWaalsContact C-N 3.35Å; A22-S24 PolarHBondContact O-N 3.2Å; A22-A25 PolarHBondContact O-N 3.42Å; A22-L26 PolarHBondContact O-N 2.85Å |
| 23 | A | 70.3 | Confident | 69.2 | Low | 60 Ų | 60 | 101.3 Ų | 101.3 | 50% | 0.496 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.5 | -40.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D19 L26 S27 | D19-A23 VanDerWaalsContact O-CB 3.28Å; D19-A23 WeakPolarHBondContact O-CB 3.34Å; D19-A23 PolarHBondContact O-N 3.12Å; A23-L26 PolarHBondContact O-N 2.81Å; A23-S27 PolarHBondContact O-N 2.83Å; A23-S27 PolarHBondContact O-OG 2.88Å |
| 24 | S | 71.8 | Confident | 67.2 | Low | 72 Ų | 72 | 101.6 Ų | 101.6 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.1 | -33.1 | 174.5 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | Q20 G21 A22 S27 K28 | Q20-S24 VanDerWaalsContact O-CB 3.23Å; Q20-S24 WeakPolarHBondContact O-CB 3.48Å; Q20-S24 PolarHBondContact O-N 2.88Å; Q20-S24 PolarHBondContact O-OG 3.49Å; G21-S24 PolarHBondContact O-N 3.41Å; A22-S24 VanDerWaalsContact C-N 3.35Å; A22-S24 PolarHBondContact O-N 3.2Å; S24-S27 PolarHBondContact O-OG 3.24Å; S24-K28 WeakPolarHBondContact O-CB 3.47Å; S24-K28 PolarHBondContact O-N 2.78Å; S24-K28 VanDerWaalsContact O-N 3.14Å |
| 25 | A | 68.8 | Low | 64.8 | Low | 63 Ų | 63 | 100.4 Ų | 100.4 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.7 | -33.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G21 A22 K29 | G21-A25 WeakPolarHBondContact O-CB 3.38Å; G21-A25 PolarHBondContact O-N 3.08Å; A22-A25 PolarHBondContact O-N 3.42Å; A25-K29 PolarHBondContact O-N 3.39Å |
| 26 | L | 62.2 | Low | 62.4 | Low | 117 Ų | 117 | 101.2 Ų | 101.2 | 61% | 0.613 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.8 | -52.1 | 174.3 | -130.6 | 75.9 | 0 | 0 | 0 | 111.4 | A22 A23 K28 K29 D30 | A22-L26 PolarHBondContact O-N 2.85Å; A23-L26 PolarHBondContact O-N 2.81Å; L26-K28 VanDerWaalsContact C-N 3.26Å; L26-K28 PolarHBondContact O-N 2.85Å; L26-K29 WeakPolarHBondContact O-CA 3.11Å; L26-K29 VanDerWaalsContact O-CB 3.27Å; L26-K29 WeakPolarHBondContact O-CB 3.23Å; L26-K29 PolarHBondContact O-N 3.36Å; L26-D30 PolarHBondContact O-N 2.83Å; L26-D30 VanDerWaalsContact O-N 3.12Å |
| 27 | S | 64.8 | Low | 59.9 | Low | 66 Ų | 66 | 108.9 Ų | 108.9 | 46% | 0.462 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.7 | -31.5 | -179.2 | 67.5 | 0 | 0 | 0 | 0 | 113.1 | A23 S24 K29 T31 | A23-S27 PolarHBondContact O-N 2.83Å; A23-S27 PolarHBondContact O-OG 2.88Å; S24-S27 PolarHBondContact O-OG 3.24Å; S27-K29 VanDerWaalsContact C-N 3.28Å; S27-K29 PolarHBondContact O-N 3.22Å; S27-T31 WeakPolarHBondContact O-CG2 3.36Å; S27-T31 PolarHBondContact O-N 2.81Å; S27-T31 VanDerWaalsContact O-N 3.12Å; S27-T31 PolarHBondContact O-OG1 2.81Å |
| 28 | K | 58.5 | Low | 57.5 | Low | 162 Ų | 162 | 106 Ų | 106 | 70% | 0.704 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.9 | -19.5 | 172.7 | -164.7 | 170.4 | -173.9 | 177.6 | 0 | 113.4 | S24 L26 T31 | S24-K28 WeakPolarHBondContact O-CB 3.47Å; S24-K28 PolarHBondContact O-N 2.78Å; S24-K28 VanDerWaalsContact O-N 3.14Å; L26-K28 VanDerWaalsContact C-N 3.26Å; L26-K28 PolarHBondContact O-N 2.85Å; K28-T31 WeakPolarHBondContact CA-OG1 3.34Å |
| 29 | K | 54.9 | Low | 54.9 | Low | 147 Ų | 147 | 108.3 Ų | 108.3 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.8 | -47.8 | 172.6 | -164.4 | 172.2 | -178.5 | 178.4 | 0 | 110.5 | A25 L26 S27 T31 S32 | A25-K29 PolarHBondContact O-N 3.39Å; L26-K29 WeakPolarHBondContact O-CA 3.11Å; L26-K29 VanDerWaalsContact O-CB 3.27Å; L26-K29 WeakPolarHBondContact O-CB 3.23Å; L26-K29 PolarHBondContact O-N 3.36Å; S27-K29 VanDerWaalsContact C-N 3.28Å; S27-K29 PolarHBondContact O-N 3.22Å; K29-T31 VanDerWaalsContact C-N 3.34Å; K29-T31 PolarHBondContact O-N 2.84Å; K29-S32 PolarHBondContact O-N 3.38Å; K29-S32 VanDerWaalsContact O-N 3.11Å; K29-S32 PolarHBondContact O-OG 3.1Å |
| 30 | D | 50.6 | Low | 52.6 | Low | 106 Ų | 106 | 111.8 Ų | 111.8 | 57% | 0.567 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.9 | -29.9 | -177.6 | -61.4 | -28.7 | 0 | 0 | 0 | 113.3 | L26 S32 S33 | L26-D30 PolarHBondContact O-N 2.83Å; L26-D30 VanDerWaalsContact O-N 3.12Å; D30-S32 VanDerWaalsContact C-N 3.28Å; D30-S32 PolarHBondContact O-N 2.88Å; D30-S33 PolarHBondContact O-OG 3.18Å |
| 31 | T | 46.1 | Very low | 50.2 | Low | 109 Ų | 109 | 112.5 Ų | 112.5 | 67% | 0.669 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -12.9 | 173.3 | 45.1 | 0 | 0 | 0 | 0 | 114.1 | S27 K28 K29 | S27-T31 WeakPolarHBondContact O-CG2 3.36Å; S27-T31 PolarHBondContact O-N 2.81Å; S27-T31 VanDerWaalsContact O-N 3.12Å; S27-T31 PolarHBondContact O-OG1 2.81Å; K28-T31 WeakPolarHBondContact CA-OG1 3.34Å; K29-T31 VanDerWaalsContact C-N 3.34Å; K29-T31 PolarHBondContact O-N 2.84Å |
| 32 | S | 42.9 | Very low | 47.9 | Very low | 94 Ų | 94 | 117.5 Ų | 117.5 | 66% | 0.657 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -14.5 | -178 | 73.6 | 0 | 0 | 0 | 0 | 114.6 | K29 D30 | K29-S32 PolarHBondContact O-N 3.38Å; K29-S32 VanDerWaalsContact O-N 3.11Å; K29-S32 PolarHBondContact O-OG 3.1Å; D30-S32 VanDerWaalsContact C-N 3.28Å; D30-S32 PolarHBondContact O-N 2.88Å |
| 33 | S | 42.4 | Very low | 45.9 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 62% | 0.622 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -102.2 | 1.2 | -174.6 | 47.7 | 0 | 0 | 0 | 0 | 115.3 | D30 | D30-S33 PolarHBondContact O-OG 3.18Š|
| 34 | T | 41.9 | Very low | 44.1 | Very low | 121 Ų | 121 | 124 Ų | 124 | 74% | 0.742 | 69% | 0.691 | S | S | * | * | trans | -136.5 | 80.4 | -176.8 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 35 | A | 33.8 | Very low | 42.2 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 74% | 0.744 | 70% | 0.7 | S | S | * | * | trans | -139.1 | 139.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 36 | V | 33.9 | Very low | 40.4 | Very low | 133 Ų | 133 | 127 Ų | 127 | 81% | 0.806 | 71% | 0.709 | S | S | * | * | trans | 72.3 | 81.1 | 179.4 | -161.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 37 | Y | 31.1 | Very low | 38.9 | Very low | 241 Ų | 241 | 128.6 Ų | 128.6 | 95% | 0.945 | 71% | 0.713 | S | S | * | * | -138.6 | 129.2 | 116.3 | -100.7 | -75.8 | 0 | 0 | 0 | 109.2 | |||||
| 38 | D | 31.7 | Very low | 37.3 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | trans | -108.1 | 123 | -178.4 | 179 | 11.3 | 0 | 0 | 0 | 109.7 | ||||
| 39 | N | 30.7 | Very low | 36 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -167.7 | 113.5 | 153.2 | -114.7 | -57.2 | 0 | 0 | 0 | 113.1 | ||||
| 40 | K | 35.1 | Very low | 34.8 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | trans | 47.3 | 125.5 | 137 | -65.3 | 178.5 | -176 | 174.6 | 0 | 121.8 | ||||
| 41 | N | 30.1 | Very low | 33.8 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | 44.9 | 122.7 | 140.3 | -73.8 | -21.3 | 0 | 0 | 0 | 119.5 | ||||
| 42 | L | 31.8 | Very low | 33 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | -179.5 | 137.2 | 83.4 | -169.3 | 63.3 | 0 | 0 | 0 | 112.1 | |||||
| 43 | D | 30.5 | Very low | 32.6 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | 17.2 | 134.8 | 157.2 | -59.5 | -23.5 | 0 | 0 | 0 | 124.5 | ||||
| 44 | S | 32 | Very low | 32 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | 89.4 | 134 | 127.1 | -75.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 45 | A | 31.9 | Very low | 31.4 | Very low | 84 Ų | 84 | 145.5 Ų | 145.5 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | trans | 94.2 | 101.1 | 134.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 46 | T | 31.8 | Very low | 31.2 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | 91 | 107.3 | 107.7 | -58.6 | 0 | 0 | 0 | 0 | 120 | |||||
| 47 | E | 30.9 | Very low | 31.2 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | 77.5 | 122 | 134.3 | -69.1 | -175.3 | 125.5 | 0 | 0 | 124.6 | ||||
| 48 | Y | 31.5 | Very low | 31.3 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | 68.3 | 137.6 | 126.9 | -73 | -59.6 | 0 | 0 | 0 | 125.5 | |||||
| 49 | S | 30.6 | Very low | 31.2 | Very low | 94 Ų | 94 | 146 Ų | 146 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | trans | 90.9 | 97.9 | 138.8 | -74.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 50 | E | 29.8 | Very low | 31.1 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 51.8 | 114.9 | 108.6 | -77.1 | -163.9 | 129.1 | 0 | 0 | 120.3 | |||||
| 51 | L | 29.4 | Very low | 30.8 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | 65.3 | 99.2 | 114.3 | -159.8 | 125.6 | 0 | 0 | 0 | 117.8 | |||||
| 52 | H | 30.2 | Very low | 30.8 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | trans | -144.1 | 138 | 132.9 | -134.5 | -82.7 | 0 | 0 | 0 | 113.6 | ||||
| 53 | K | 32.8 | Very low | 30.7 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -81.3 | 145.1 | 169.8 | -63.4 | 172.5 | 178.6 | 174.5 | 0 | 109.8 | ||||
| 54 | H | 30 | Very low | 30.9 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | -175.1 | 114.1 | 135.5 | -89.3 | -59.5 | 0 | 0 | 0 | 106.3 | ||||
| 55 | T | 28.9 | Very low | 31 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | 54.5 | 97.3 | 76.8 | -41 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 56 | G | 31.4 | Very low | 31.1 | Very low | 75 Ų | 75 | 150.5 Ų | 150.5 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -168.6 | 81.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 57 | E | 32.5 | Very low | 31.2 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -63.7 | 131.9 | 175.5 | -178.4 | -178.6 | -150.2 | 0 | 0 | 110.9 | ||||
| 58 | L | 33.3 | Very low | 31.3 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -149.2 | 138.3 | 164.8 | -114.5 | 166.5 | 0 | 0 | 0 | 112.9 | ||||
| 59 | K | 29.4 | Very low | 31.4 | Very low | 173 Ų | 173 | 150.8 Ų | 150.8 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -114.3 | 130.4 | -162.9 | 179.8 | -175.1 | -178.8 | 178 | 0 | 108.6 | ||||
| 60 | Y | 29.8 | Very low | 31.4 | Very low | 202 Ų | 202 | 151.9 Ų | 151.9 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | 42.7 | 126.1 | 157.2 | -75.7 | -108.4 | 0 | 0 | 0 | 119.1 | ||||
| 61 | Q | 28 | Very low | 31.7 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 153.6 | 130 | 90.3 | -148.8 | 159.8 | -16.1 | 0 | 0 | 112.8 | |||||
| 62 | V | 30.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | trans | 28 | 120.1 | 145.8 | -176.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 63 | S | 28.9 | Very low | 32.1 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | -150.8 | 140.2 | 128.8 | -165.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 64 | S | 35.3 | Very low | 32 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -84 | 144.2 | 178.7 | 49 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 65 | K | 34.2 | Very low | 32.2 | Very low | 206 Ų | 206 | 142 Ų | 142 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | trans | -151.9 | 121.5 | 154.1 | -156.7 | 168.9 | -175.1 | 177.5 | 0 | 111.8 | ||||
| 66 | A | 34.2 | Very low | 32.5 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -107.4 | 139.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 67 | A | 32.9 | Very low | 32.8 | Very low | 81 Ų | 81 | 147.3 Ų | 147.3 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | trans | -177.1 | 114.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 68 | Y | 33.8 | Very low | 32.8 | Very low | 222 Ų | 222 | 146 Ų | 146 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | 39.8 | 149.1 | 140.3 | -60.6 | -80.7 | 0 | 0 | 0 | 124.5 | ||||
| 69 | I | 34 | Very low | 32.7 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | 111.5 | 117.1 | 163.8 | -64.9 | 170.5 | 0 | 0 | 0 | 111.5 | ||||
| 70 | S | 30.4 | Very low | 32.8 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | cis | -150.8 | -171.9 | -3.1 | -156.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 71 | S | 36.4 | Very low | 33.1 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -112.9 | 117.6 | 169.1 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 72 | A | 33.3 | Very low | 33.5 | Very low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 179.7 | 142.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 73 | A | 34.4 | Very low | 33.8 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | cis | -149.8 | 170.7 | -0.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 74 | D | 31.1 | Very low | 34 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | -68.4 | 166.7 | 178.3 | -76.4 | -64.7 | 0 | 0 | 0 | 116.2 | ||||
| 75 | N | 34.8 | Very low | 34 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | 78.1 | 120 | 165.1 | -58.6 | -73.1 | 0 | 0 | 0 | 115.8 | ||||
| 76 | I | 34.6 | Very low | 34 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | -161.5 | 131.3 | 66.3 | -86.3 | 176.4 | 0 | 0 | 0 | 112.8 | |||||
| 77 | K | 37.7 | Very low | 34 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | 50.7 | 118.3 | 145.8 | -64.6 | -178.4 | 174.4 | 175.9 | 0 | 123.9 | ||||
| 78 | H | 33 | Very low | 34 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | 47.1 | 125.9 | 127.5 | -47.6 | -59.9 | 0 | 0 | 0 | 121.8 | |||||
| 79 | Q | 30.7 | Very low | 33.8 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | 177.4 | 144.5 | 94.1 | -95 | -169 | 18.7 | 0 | 0 | 112.9 | |||||
| 80 | K | 31.6 | Very low | 33.8 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 65.9 | 151.6 | 157.4 | -66.4 | 157.9 | 179.7 | 156.1 | 0 | 117.3 | ||||
| 81 | A | 34.6 | Very low | 33.9 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | cis | -156.2 | 143.7 | -21 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 82 | T | 36.7 | Very low | 33.8 | Very low | 145 Ų | 145 | 136 Ų | 136 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -100.5 | 107.5 | 175 | -58.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 83 | I | 36.6 | Very low | 33.5 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -147.3 | 120.4 | 156.3 | -61.4 | -173.2 | 0 | 0 | 0 | 108.4 | ||||
| 84 | L | 33.7 | Very low | 33.3 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -158.6 | 101.7 | 133.9 | -137.7 | 80.3 | 0 | 0 | 0 | 109.9 | ||||
| 85 | A | 34.2 | Very low | 33.5 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -80.5 | 159 | 144.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 86 | G | 34.6 | Very low | 33.5 | Very low | 71 Ų | 71 | 146.8 Ų | 146.8 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | cis | 170.3 | 122.8 | 8.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 87 | T | 35 | Very low | 33.3 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | trans | -86.7 | 115 | -168.5 | 44.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 88 | A | 33.3 | Very low | 33 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -76.3 | 124.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 89 | N | 29.3 | Very low | 32.9 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -86.1 | 115.5 | -173.4 | -178.8 | 10.8 | 0 | 0 | 0 | 111.8 | ||||
| 90 | V | 33.5 | Very low | 32.7 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 120 | 171.1 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 91 | K | 31.6 | Very low | 32.5 | Very low | 183 Ų | 183 | 137 Ų | 137 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 142.4 | 179.9 | -83 | -178.8 | 174.1 | 176.6 | 0 | 112.3 | ||
| 92 | P | 35.8 | Very low | 32.2 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 147.6 | 174 | 34.1 | -34.4 | 0 | 0 | 0 | 112.1 | ||
| 93 | A | 27.2 | Very low | 32.6 | Very low | 105 Ų | 105 | 136 Ų | 136 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -123.8 | 140.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 94 | R | 30 | Very low | 32.3 | Very low | 255 Ų | 255 | 134.2 Ų | 134.2 | 96% | 0.962 | 80% | 0.797 | S | S | * | * | trans | -106 | 159.1 | -170.6 | -154.2 | 175.6 | -175.9 | -176.2 | 1 | 111.1 | ||||
| 95 | R | 34.5 | Very low | 32.1 | Very low | 231 Ų | 231 | 134.6 Ų | 134.6 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -76.5 | -179.7 | -169.7 | -62.8 | 177.2 | 172 | 175.6 | -5.1 | 115.3 | ||||
| 96 | T | 35.2 | Very low | 31.8 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 98.2 | 137.7 | 164.6 | 68.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 97 | S | 29.8 | Very low | 31.5 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | cis | -168.4 | 155.2 | -10.5 | -95.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 98 | L | 31.7 | Very low | 31.2 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 62.9 | 148.5 | 156.7 | -64.6 | 160 | 0 | 0 | 0 | 117.7 | ||||
| 99 | E | 30.5 | Very low | 31.2 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | cis | -165.8 | 167.2 | -10.9 | 179.7 | 170.9 | 176.8 | 0 | 0 | 109.4 | ||||
| 100 | A | 27.1 | Very low | 31.5 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | 91.7 | 124.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 101 | A | 27.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | 79.6 | 131.6 | 145.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 102 | S | 29.5 | Very low | 31.4 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -101.8 | -165.1 | 176.1 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 103 | P | 43.8 | Very low | 31.1 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | cis | -137.7 | -163.5 | -4.9 | 25.8 | 1.1 | 0 | 0 | 0 | 115 | ||||
| 104 | V | 31.1 | Very low | 31.2 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | trans | 102.9 | 119.2 | 148.8 | -168.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 105 | E | 29 | Very low | 31.2 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 51.9 | 154.8 | 151.7 | -67.7 | 173.2 | 151.2 | 0 | 0 | 122.2 | ||||
| 106 | S | 28 | Very low | 31 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | cis | -167.3 | 158.1 | -24.9 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 107 | V | 27.9 | Very low | 30.9 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 63.2 | 118 | 139.8 | 170.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 108 | S | 29.6 | Very low | 31 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 80.3 | 124.5 | 143.4 | 71.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 109 | T | 33.3 | Very low | 31 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -71.3 | 156.2 | 145.6 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 110 | P | 35.7 | Very low | 31.1 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | -144.8 | 158.9 | 90.8 | 35.8 | -19.6 | 0 | 0 | 0 | 115.5 | |||||
| 111 | R | 32.5 | Very low | 31.3 | Very low | 242 Ų | 242 | 144.1 Ų | 144.1 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -61.5 | 148.5 | 160.9 | -77.1 | 173.2 | 164.7 | 161.5 | -5.7 | 110.7 | ||||
| 112 | P | 30.5 | Very low | 31.6 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -105.6 | 145.1 | 136.4 | 33.4 | -29.1 | 0 | 0 | 0 | 110.8 | ||||
| 113 | S | 28.5 | Very low | 32.1 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -89.6 | 165.5 | 170 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 114 | S | 30.7 | Very low | 32.2 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | 124.3 | 127.2 | 146.2 | -154.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 115 | Q | 30 | Very low | 32.9 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 69.1 | 111.8 | 145.1 | -78.6 | 162 | -33 | 0 | 0 | 122.9 | ||||
| 116 | F | 29.3 | Very low | 33.8 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | 52.8 | 103 | 127.4 | -85.8 | -102.4 | 0 | 0 | 0 | 120.1 | |||||
| 117 | V | 32.3 | Very low | 35.2 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | -137.3 | 116.3 | 125.1 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | R119 | V117-R119 HydrophobicContact CG1-CG 4.41Š| |||
| 118 | R | 32.1 | Very low | 36.5 | Very low | 224 Ų | 224 | 144.3 Ų | 144.3 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | trans | -80.6 | 111.1 | 167.9 | -177.1 | -173 | -155.4 | 157.5 | 6.3 | 108.6 | ||||
| 119 | R | 32 | Very low | 37.7 | Very low | 234 Ų | 234 | 144 Ų | 144 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | trans | -94.8 | 129.1 | 163.9 | -83.9 | -161.7 | 175.1 | -165.3 | 0.5 | 110.8 | V117 | V117-R119 HydrophobicContact CG1-CG 4.41Š| ||
| 120 | K | 32.1 | Very low | 38.5 | Very low | 187 Ų | 187 | 143.7 Ų | 143.7 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | -80.2 | 141.6 | 168 | -89.9 | -162.5 | 173.8 | -172.1 | 0 | 110.3 | ||||
| 121 | K | 32.4 | Very low | 39.4 | Very low | 142 Ų | 142 | 144 Ų | 144 | 62% | 0.617 | 72% | 0.716 | S | S | * | * | trans | 38.9 | 124.5 | 130.5 | -143.8 | 175.7 | -169.3 | -167.3 | 0 | 118.4 | E123 | K121-E123 HydrophobicContact CD-CB 4.27Å; K121-E123 WeakPolarHBondContact CE-OE1 3.47Å; K121-E123 WeakPolarHBondContact CE-OE2 3.39Å; K121-E123 HydrophobicContact CG-CB 4.26Å; K121-E123 IonicContact NZ-OE1 2.65Å; K121-E123 PolarHBondContact NZ-OE1 3.23Å; K121-E123 IonicContact NZ-OE2 3.35Å; K121-E123 PolarHBondContact NZ-OE2 2.79Å | ||
| 122 | S | 34.3 | Very low | 40.7 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 88% | 0.881 | 71% | 0.706 | S | S | * | * | trans | -110.6 | 138.5 | 136.4 | 44.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 123 | E | 39.2 | Very low | 42.1 | Very low | 112 Ų | 112 | 140 Ų | 140 | 52% | 0.523 | 70% | 0.698 | S | S | . | * | trans | -121 | 131.1 | -173.8 | 179.7 | 155.5 | -134.4 | 0 | 0 | 105.8 | K121 | K121-E123 HydrophobicContact CD-CB 4.27Å; K121-E123 WeakPolarHBondContact CE-OE1 3.47Å; K121-E123 WeakPolarHBondContact CE-OE2 3.39Å; K121-E123 HydrophobicContact CG-CB 4.26Å; K121-E123 IonicContact NZ-OE1 2.65Å; K121-E123 PolarHBondContact NZ-OE1 3.23Å; K121-E123 IonicContact NZ-OE2 3.35Å; K121-E123 PolarHBondContact NZ-OE2 2.79Å | ||
| 124 | P | 45.5 | Very low | 43.2 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 69% | 0.69 | S | S | * | * | trans | -75.9 | 140.9 | -178.8 | 30.9 | -32.9 | 0 | 0 | 0 | 110.7 | D126 | P124-D126 PolarHBondContact O-N 3.37Å; P124-D126 VanDerWaalsContact O-N 3.12Å | ||
| 125 | D | 46.7 | Very low | 43.8 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | trans | -40.5 | 103.8 | -172.7 | -62.3 | -47.4 | 0 | 0 | 0 | 116.1 | E127 L128 | D125-E127 VanDerWaalsContact C-N 3.34Å; D125-L128 HydrophobicContact CB-CB 4.41Å; D125-L128 HydrophobicContact CB-CD1 3.97Å; D125-L128 HydrophobicContact CB-CG 4.13Å | ||
| 126 | D | 47.4 | Very low | 44.2 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 49% | 0.487 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -77.6 | -20.6 | 161.2 | -76.2 | -38.2 | 0 | 0 | 0 | 111.6 | P124 L128 L129 F130 | P124-D126 PolarHBondContact O-N 3.37Å; P124-D126 VanDerWaalsContact O-N 3.12Å; D126-L128 PolarHBondContact O-N 2.79Å; D126-L129 WeakPolarHBondContact O-CA 3.44Å; D126-L129 VanDerWaalsContact O-CB 3.26Å; D126-L129 WeakPolarHBondContact O-CB 3.34Å; D126-L129 PolarHBondContact O-N 3.41Å; D126-F130 HydrophobicContact CB-CE2 4.28Å; D126-F130 WeakPolarHBondContact O-CD2 3.47Å; D126-F130 PolarHBondContact O-N 3.05Å; D126-F130 VanDerWaalsContact O-N 3.16Å |
| 127 | E | 57.1 | Low | 44.5 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 72% | 0.715 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -63.8 | -37.8 | -178 | -64.3 | -174.5 | 176.5 | 0 | 0 | 112.4 | D125 L129 F130 D131 | D125-E127 VanDerWaalsContact C-N 3.34Å; E127-L129 PolarHBondContact O-N 2.81Å; E127-F130 PolarHBondContact O-N 3.35Å; E127-F130 VanDerWaalsContact O-N 3.17Å; E127-D131 PolarHBondContact O-N 3.45Å; E127-D131 VanDerWaalsContact O-N 3.12Å |
| 128 | L | 55.4 | Low | 44.6 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 62% | 0.623 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -65.1 | -23.4 | 173.1 | -69.9 | 174.1 | 0 | 0 | 0 | 113 | D125 D126 | D125-L128 HydrophobicContact CB-CB 4.41Å; D125-L128 HydrophobicContact CB-CD1 3.97Å; D125-L128 HydrophobicContact CB-CG 4.13Å; D126-L128 PolarHBondContact O-N 2.79Å |
| 129 | L | 54.1 | Low | 45 | Very low | 98 Ų | 98 | 138 Ų | 138 | 51% | 0.513 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -80.3 | -33.2 | 175.5 | -162 | 69.9 | 0 | 0 | 0 | 111.3 | D126 E127 L133 | D126-L129 WeakPolarHBondContact O-CA 3.44Å; D126-L129 VanDerWaalsContact O-CB 3.26Å; D126-L129 WeakPolarHBondContact O-CB 3.34Å; D126-L129 PolarHBondContact O-N 3.41Å; E127-L129 PolarHBondContact O-N 2.81Å; L129-L133 HydrophobicContact CG-CD1 4.34Å; L129-L133 WeakPolarHBondContact O-CB 3.26Å; L129-L133 WeakPolarHBondContact O-CD1 3.29Å; L129-L133 VanDerWaalsContact O-CG 3.28Å; L129-L133 WeakPolarHBondContact O-CG 3.2Å; L129-L133 PolarHBondContact O-N 2.69Å |
| 130 | F | 51.7 | Low | 45.7 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 55% | 0.548 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -72 | -36.9 | 175.3 | -76.2 | -69.9 | 0 | 0 | 0 | 113.1 | D126 E127 L133 N134 | D126-F130 HydrophobicContact CB-CE2 4.28Å; D126-F130 WeakPolarHBondContact O-CD2 3.47Å; D126-F130 PolarHBondContact O-N 3.05Å; D126-F130 VanDerWaalsContact O-N 3.16Å; E127-F130 PolarHBondContact O-N 3.35Å; E127-F130 VanDerWaalsContact O-N 3.17Å; F130-L133 PolarHBondContact O-N 2.9Å; F130-N134 WeakPolarHBondContact O-CB 3.31Å; F130-N134 PolarHBondContact O-N 2.84Å; F130-N134 PolarHBondContact O-ND2 3.49Å |
| 131 | D | 53.1 | Low | 45.6 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 65% | 0.647 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -64.6 | -40.3 | 173.9 | -86.6 | -6.3 | 0 | 0 | 0 | 112 | E127 L133 N134 S135 | E127-D131 PolarHBondContact O-N 3.45Å; E127-D131 VanDerWaalsContact O-N 3.12Å; D131-L133 VanDerWaalsContact C-N 3.31Å; D131-L133 PolarHBondContact O-N 3.41Å; D131-N134 PolarHBondContact O-N 2.87Å; D131-S135 PolarHBondContact O-N 2.85Å |
| 132 | F | 59.5 | Low | 45.5 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -66.8 | -29.3 | 176.1 | -175.3 | -103.3 | 0 | 0 | 0 | 113.4 | S135 | F132-S135 PolarHBondContact O-OG 3.44Å |
| 133 | L | 61.2 | Low | 45.6 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 63% | 0.628 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -87.1 | -20.3 | 178.9 | -71.8 | 170.3 | 0 | 0 | 0 | 113.7 | L129 F130 D131 | L129-L133 HydrophobicContact CG-CD1 4.34Å; L129-L133 WeakPolarHBondContact O-CB 3.26Å; L129-L133 WeakPolarHBondContact O-CD1 3.29Å; L129-L133 VanDerWaalsContact O-CG 3.28Å; L129-L133 WeakPolarHBondContact O-CG 3.2Å; L129-L133 PolarHBondContact O-N 2.69Å; F130-L133 PolarHBondContact O-N 2.9Å; D131-L133 VanDerWaalsContact C-N 3.31Å; D131-L133 PolarHBondContact O-N 3.41Å |
| 134 | N | 52.1 | Low | 45.2 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 65% | 0.652 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -94 | -12.7 | 179.2 | -75.7 | -42 | 0 | 0 | 0 | 114.2 | F130 D131 S136 | F130-N134 WeakPolarHBondContact O-CB 3.31Å; F130-N134 PolarHBondContact O-N 2.84Å; F130-N134 PolarHBondContact O-ND2 3.49Å; D131-N134 PolarHBondContact O-N 2.87Å; N134-S136 VanDerWaalsContact C-N 3.26Å; N134-S136 PolarHBondContact O-N 3.3Å |
| 135 | S | 42.2 | Very low | 44.9 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | trans | -74.2 | 75.8 | 173.9 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | D131 F132 | D131-S135 PolarHBondContact O-N 2.85Å; F132-S135 PolarHBondContact O-OG 3.44Å | ||
| 136 | S | 39 | Very low | 44.3 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -84.3 | 118.5 | 172 | 67.3 | 0 | 0 | 0 | 0 | 111.4 | N134 | N134-S136 VanDerWaalsContact C-N 3.26Å; N134-S136 PolarHBondContact O-N 3.3Å | ||
| 137 | E | 34.5 | Very low | 43.6 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | trans | -139.4 | 149 | 147 | -157.8 | 157.5 | -143.1 | 0 | 0 | 111.4 | ||||
| 138 | K | 34.5 | Very low | 42.3 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | trans | -92.7 | 143.8 | -162.6 | -75.9 | 173 | 172.8 | 170 | 0 | 113 | ||||
| 139 | E | 40.2 | Very low | 41.2 | Very low | 155 Ų | 155 | 141.7 Ų | 141.7 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | -36.7 | 162.8 | 145.9 | -130.3 | -169.2 | -118.7 | 0 | 0 | 114.6 | N141 | E139-N141 VanDerWaalsContact OE2-CA 3.25Å; E139-N141 WeakPolarHBondContact OE2-CA 3.17Å; E139-N141 PolarHBondContact OE2-N 2.91Å | ||
| 140 | P | 46.6 | Very low | 40.1 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | -137.6 | 113.4 | 106.4 | 34.4 | -22.1 | 0 | 0 | 0 | 115.9 | |||||
| 141 | N | 31.5 | Very low | 39.2 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | 60.9 | 115 | 114.7 | -167.7 | 26.6 | 0 | 0 | 0 | 119.5 | E139 | E139-N141 VanDerWaalsContact OE2-CA 3.25Å; E139-N141 WeakPolarHBondContact OE2-CA 3.17Å; E139-N141 PolarHBondContact OE2-N 2.91Å | |||
| 142 | G | 29.1 | Very low | 38.2 | Very low | 77 Ų | 77 | 148.1 Ų | 148.1 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -161 | 73 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 143 | K | 36.7 | Very low | 36.6 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -62.5 | 144.2 | 167 | -65.4 | 178.5 | 177.8 | -179.7 | 0 | 111.1 | ||||
| 144 | I | 31.8 | Very low | 35.1 | Very low | 153 Ų | 153 | 144 Ų | 144 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -163 | 125.5 | 138.4 | -99.7 | 145.2 | 0 | 0 | 0 | 110.4 | ||||
| 145 | D | 39 | Very low | 34 | Very low | 172 Ų | 172 | 144 Ų | 144 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | trans | -83.7 | 132.5 | 159.1 | -103.2 | -55.2 | 0 | 0 | 0 | 109 | ||||
| 146 | S | 32.7 | Very low | 33.5 | Very low | 99 Ų | 99 | 146.6 Ų | 146.6 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -150.2 | 91.9 | 165.9 | 59.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 147 | K | 33.8 | Very low | 33.3 | Very low | 208 Ų | 208 | 148.2 Ų | 148.2 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | 66.9 | 126.8 | 113.5 | -155 | 174.1 | -168.6 | 173.9 | 0 | 119.1 | |||||
| 148 | K | 29.5 | Very low | 33 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 81% | 0.809 | 77% | 0.774 | S | S | * | * | trans | -118.6 | 153.7 | 158.9 | -157.4 | 170.5 | -175.8 | 177.2 | 0 | 110.1 | ||||
| 149 | E | 33 | Very low | 33.1 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -28.5 | 160.2 | 179.7 | -57.7 | 179.8 | 85.9 | 0 | 0 | 118.4 | ||||
| 150 | K | 31.3 | Very low | 32.7 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | cis | -169.1 | 151.9 | 39.3 | -147.9 | 162 | -171.3 | 101.4 | 0 | 114.8 | ||||
| 151 | S | 32.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 67.9 | 139.3 | 146.3 | 56.6 | 0 | 0 | 0 | 0 | 125 | ||||
| 152 | K | 31.6 | Very low | 32.4 | Very low | 216 Ų | 216 | 144.1 Ų | 144.1 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | 87.9 | 154 | 152.3 | -90 | -178.5 | 175.6 | -179.8 | 0 | 119.9 | ||||
| 153 | A | 27.4 | Very low | 32.6 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -124.7 | 160.5 | -148.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 154 | A | 29.2 | Very low | 32.5 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | 146.8 | 148.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 155 | V | 29.3 | Very low | 32.7 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | cis | 172.6 | 151.9 | -6.4 | 134.5 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 156 | L | 31.9 | Very low | 32.4 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 66.2 | 129 | 177.4 | -61.7 | 159.2 | 0 | 0 | 0 | 116 | ||||
| 157 | Q | 33.8 | Very low | 32.5 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | 94.4 | 107.5 | 35.2 | -170.9 | -176.4 | 2.7 | 0 | 0 | 113.6 | ||||
| 158 | N | 28.9 | Very low | 32.4 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | trans | 153.4 | 120.8 | 150.6 | -80.1 | -14.8 | 0 | 0 | 0 | 108.8 | ||||
| 159 | H | 35.7 | Very low | 32.5 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 73% | 0.731 | 76% | 0.761 | S | S | * | * | 60.3 | 129.8 | 86.3 | -60.9 | -44.2 | 0 | 0 | 0 | 112.3 | |||||
| 160 | S | 32 | Very low | 32.4 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | cis | -170.1 | 162.1 | 14.7 | -109.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 161 | R | 37.6 | Very low | 32.3 | Very low | 226 Ų | 226 | 131 Ų | 131 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | 49.5 | 147.3 | 138.2 | -64 | -175.1 | 170.6 | -166.7 | -4.6 | 120.1 | ||||
| 162 | T | 33.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 132 Ų | 132 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -171.7 | 166.3 | 5.4 | 17.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 163 | S | 34.5 | Very low | 32.7 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | trans | 53.3 | 113 | 146.2 | 60.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 164 | S | 34.8 | Very low | 32.9 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | 78.1 | 121.7 | 84.6 | -55.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 165 | I | 35.2 | Very low | 32.9 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 92% | 0.923 | 76% | 0.764 | S | S | * | * | -168.5 | 149.7 | 117.2 | 40.2 | 170.3 | 0 | 0 | 0 | 110.7 | |||||
| 166 | S | 32.8 | Very low | 33.2 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -126.6 | 135 | 175.1 | 52.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 167 | S | 35.5 | Very low | 33.3 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -175.7 | 130.3 | 150.4 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 168 | V | 31.7 | Very low | 33.2 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -141.7 | 131.8 | 151 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 169 | S | 30.8 | Very low | 33.6 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -138.6 | 124 | 176.7 | -61 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 170 | T | 29.9 | Very low | 33.5 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -160.8 | 129.3 | 161.4 | 38.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 171 | S | 29.2 | Very low | 33.5 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | 94.9 | 144.8 | 17.5 | -159.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 172 | T | 35.7 | Very low | 33.2 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | trans | 79.7 | 144.5 | -178 | 74.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 173 | Q | 38.1 | Very low | 33.2 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | cis | -165.8 | 174.2 | -3.2 | -123.1 | -163.9 | 109.1 | 0 | 0 | 108.8 | ||||
| 174 | S | 31.6 | Very low | 33.1 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | cis | -166.5 | 146.1 | -9.7 | -145.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 175 | A | 28.9 | Very low | 33.1 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | -164.3 | 158 | 157.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 176 | K | 35.5 | Very low | 33.1 | Very low | 185 Ų | 185 | 133.3 Ų | 133.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -144.5 | 135.6 | -156.3 | 174.2 | -165.3 | 177.4 | -175.3 | 0 | 112.4 | ||||
| 177 | T | 33.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | 163.5 | 119.6 | 126.2 | 43 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 178 | T | 31.3 | Very low | 33 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | 57.3 | 120.5 | 127.3 | -34.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 179 | E | 37.9 | Very low | 33.1 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 51.6 | 144.1 | 148 | -63.5 | 165.4 | -172.5 | 0 | 0 | 119.8 | ||||
| 180 | D | 33.1 | Very low | 33.3 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | cis | -153.1 | 163 | 11.7 | -152.1 | -5.8 | 0 | 0 | 0 | 113 | ||||
| 181 | N | 32.3 | Very low | 34.3 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 32 | 120.1 | 156.2 | -162.2 | 22.4 | 0 | 0 | 0 | 122.6 | ||||
| 182 | S | 32.2 | Very low | 34.4 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | 171.1 | 131.2 | 118 | -173.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 183 | T | 33.1 | Very low | 34.2 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | 59.2 | 112 | 152 | 48 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 184 | R | 31.7 | Very low | 34.2 | Very low | 213 Ų | 213 | 133.8 Ų | 133.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -123.4 | 138.5 | 164.2 | 167.7 | 179.5 | 173.7 | 168.6 | -3.7 | 109 | ||||
| 185 | S | 35.1 | Very low | 34.2 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -106.2 | 131.5 | 169.6 | 49.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 186 | Q | 36.3 | Very low | 34.6 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | trans | -157.1 | 120 | 167.3 | -161.4 | 166.5 | 14 | 0 | 0 | 107.7 | ||||
| 187 | G | 31.3 | Very low | 34.5 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | -94.1 | 139.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 188 | N | 35 | Very low | 34.6 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -146 | 140.6 | 173.2 | -153.2 | 89.4 | 0 | 0 | 0 | 108.2 | ||||
| 189 | E | 32.9 | Very low | 34.7 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -82.1 | -177.5 | -179.5 | -65.1 | -161.8 | 132.7 | 0 | 0 | 113.3 | ||||
| 190 | T | 34.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 129 Ų | 129 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 106.2 | 154.2 | 172.8 | 73.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 191 | P | 50.3 | Low | 35 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | -134.6 | -173 | -107 | 30 | -4.7 | 0 | 0 | 0 | 115.8 | |||||
| 192 | D | 31.1 | Very low | 35.4 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | 105.1 | 144.3 | 144.6 | -147.9 | 11.9 | 0 | 0 | 0 | 120.4 | ||||
| 193 | S | 31.6 | Very low | 35.6 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | trans | 63.3 | 99.8 | 158 | -176.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 194 | S | 38.3 | Very low | 35.6 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | 79.5 | 126 | 120.8 | -46.8 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 195 | D | 31.7 | Very low | 35.6 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 100.4 | 141.9 | 132.8 | -157.3 | 45.3 | 0 | 0 | 0 | 122.6 | ||||
| 196 | S | 37.5 | Very low | 35.5 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 62 | 101.4 | 158.9 | -74.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 197 | G | 33.8 | Very low | 36 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | 109.2 | 118.4 | 104.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 198 | L | 36.2 | Very low | 35.9 | Very low | 192 Ų | 192 | 123.2 Ų | 123.2 | 100% | 1.005 | 78% | 0.778 | S | S | * | * | trans | 82.1 | 135.8 | 139.1 | -66.9 | 163.8 | 0 | 0 | 0 | 123.7 | ||||
| 199 | G | 32.5 | Very low | 35.6 | Very low | 69 Ų | 69 | 119.5 Ų | 119.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 114.1 | 92.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 200 | A | 37.9 | Very low | 35.5 | Very low | 104 Ų | 104 | 117.3 Ų | 117.3 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | 71.1 | 138 | 64.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 201 | Q | 40.3 | Very low | 35.3 | Very low | 173 Ų | 173 | 117.1 Ų | 117.1 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | cis | -168.9 | -175.4 | 12.3 | -153.2 | -165.8 | -11.4 | 0 | 0 | 112.6 | ||||
| 202 | V | 40.7 | Very low | 34.9 | Very low | 121 Ų | 121 | 118.6 Ų | 118.6 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 68.9 | 139.3 | 166.5 | -100.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 203 | D | 36 | Very low | 35.6 | Very low | 156 Ų | 156 | 117.3 Ų | 117.3 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | cis | -154.5 | -176.6 | -7.4 | -149 | 27.8 | 0 | 0 | 0 | 109.4 | ||||
| 204 | G | 32.9 | Very low | 35.6 | Very low | 45 Ų | 45 | 117.8 Ų | 117.8 | 46% | 0.464 | 77% | 0.771 | S | S | . | * | cis | -176 | 159.3 | 0.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 205 | S | 31.9 | Very low | 35.2 | Very low | 119 Ų | 119 | 120 Ų | 120 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 74.3 | 156.2 | -178.7 | 81.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 206 | S | 32.4 | Very low | 35.1 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -155.5 | 166.4 | -5.7 | -120.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 207 | P | 46.5 | Very low | 34.6 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -136.6 | -175.3 | -145.2 | 43.1 | -26.6 | 0 | 0 | 0 | 120.2 | ||||
| 208 | S | 29.6 | Very low | 34.4 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 88.8 | 155.8 | 151.7 | -58.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 209 | A | 29.2 | Very low | 34 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | cis | -175.5 | 134 | -26.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 210 | V | 31 | Very low | 33.9 | Very low | 126 Ų | 126 | 120 Ų | 120 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | 74.3 | 141.9 | 127.4 | -179.3 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 211 | T | 29.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | 79.6 | 137 | 156.4 | 38.6 | 0 | 0 | 0 | 0 | 126 | ||||
| 212 | N | 42.5 | Very low | 33.7 | Very low | 154 Ų | 154 | 123.8 Ų | 123.8 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -107.8 | 157.5 | 154.3 | -74.3 | -22.3 | 0 | 0 | 0 | 108.9 | ||||
| 213 | P | 46.1 | Very low | 34.3 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | -154 | -140.6 | 88.2 | 40.6 | -17.5 | 0 | 0 | 0 | 115.8 | |||||
| 214 | S | 30.3 | Very low | 34.4 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -133.7 | 167.5 | -140.1 | 58.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 215 | L | 30.6 | Very low | 35.5 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | 75.9 | 124.1 | 144.7 | -79.3 | 163.7 | 0 | 0 | 0 | 125.7 | ||||
| 216 | S | 29.1 | Very low | 36.3 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | 133.4 | 149.6 | 113.1 | 75.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 217 | A | 27.7 | Very low | 37.3 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 66.6 | 152.4 | 158 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 218 | N | 29 | Very low | 37.7 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | cis | -153 | -170.2 | 21.9 | -153.3 | 0.2 | 0 | 0 | 0 | 115.4 | ||||
| 219 | D | 27.5 | Very low | 39.2 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -94 | 166.3 | -152.2 | -176.7 | 31.1 | 0 | 0 | 0 | 121 | ||||
| 220 | G | 31.5 | Very low | 40.7 | Very low | 59 Ų | 59 | 141.8 Ų | 141.8 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | 143 | 95 | 151 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 221 | F | 28.7 | Very low | 42.4 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 77% | 0.768 | 77% | 0.774 | S | S | * | * | trans | 63.9 | 113.5 | 145.4 | -78.5 | -97.9 | 0 | 0 | 0 | 126.8 | ||||
| 222 | K | 45.6 | Very low | 44.1 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | 40.1 | 157.3 | 133.5 | -57.7 | -173.7 | -176.5 | -179.6 | 0 | 123.6 | ||||
| 223 | P | 52.9 | Low | 45.4 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | cis | -138.4 | 138.4 | -47.1 | 38.2 | -20.6 | 0 | 0 | 0 | 114.7 | ||||
| 224 | H | 39 | Very low | 46.7 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 91% | 0.907 | 74% | 0.736 | S | S | * | * | trans | -166.9 | 98.6 | 155.5 | -116.6 | 57.4 | 0 | 0 | 0 | 112.4 | ||||
| 225 | E | 55 | Low | 48.7 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -83.4 | 167.2 | 169.8 | -70.1 | 176.5 | 125.3 | 0 | 0 | 111.3 | ||||
| 226 | L | 48.4 | Very low | 50.7 | Low | 167 Ų | 167 | 134.7 Ų | 134.7 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 94.4 | -13.2 | 175.3 | -52.2 | 178 | 0 | 0 | 0 | 119.5 | ||
| 227 | S | 54.3 | Low | 52.9 | Low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -97.9 | -31.9 | 176.5 | -166.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 228 | N | 54.1 | Low | 55.3 | Low | 135 Ų | 135 | 138.5 Ų | 138.5 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -32.6 | -168.1 | -112.9 | -18.3 | 0 | 0 | 0 | 115.3 | R230 L231 | N228-R230 PolarHBondContact O-N 3.46Å; N228-L231 PolarHBondContact O-N 3.36Å; N228-L231 VanDerWaalsContact O-N 3.13Å |
| 229 | L | 60.9 | Low | 57.8 | Low | 128 Ų | 128 | 136.7 Ų | 136.7 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -59.2 | -16 | -175 | -79.9 | 159.4 | 0 | 0 | 0 | 114.8 | ||
| 230 | R | 61.8 | Low | 60.2 | Low | 220 Ų | 220 | 134.2 Ų | 134.2 | 83% | 0.83 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -85.8 | -26.4 | -179.5 | -162.8 | 172.9 | -178.3 | 96.7 | -1 | 113.6 | N228 | N228-R230 PolarHBondContact O-N 3.46Å |
| 231 | L | 65.2 | Low | 62.5 | Low | 105 Ų | 105 | 137.5 Ų | 137.5 | 55% | 0.55 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -84 | -40.9 | -177.4 | -168.9 | 70.2 | 0 | 0 | 0 | 111.8 | N228 N233 Q234 L235 | N228-L231 PolarHBondContact O-N 3.36Å; N228-L231 VanDerWaalsContact O-N 3.13Å; L231-N233 VanDerWaalsContact C-N 3.29Å; L231-N233 PolarHBondContact O-N 3.33Å; L231-Q234 WeakPolarHBondContact O-CB 3.48Å; L231-Q234 PolarHBondContact O-N 3.12Å; L231-L235 PolarHBondContact O-N 2.8Å |
| 232 | E | 65.6 | Low | 64.9 | Low | 116 Ų | 116 | 132.1 Ų | 132.1 | 54% | 0.542 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -56.2 | -41.9 | 176.3 | -174.8 | 179.9 | 178.4 | 0 | 0 | 112.2 | Q234 L235 L236 | E232-Q234 PolarHBondContact O-N 2.76Å; E232-L235 PolarHBondContact O-N 3.3Å; E232-L236 HydrophobicContact CG-CD1 4.37Å; E232-L236 PolarHBondContact O-N 3.5Å |
| 233 | N | 69.9 | Low | 66.6 | Low | 100 Ų | 100 | 128.2 Ų | 128.2 | 54% | 0.535 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.5 | -22.4 | 177.5 | -133.6 | -91.5 | 0 | 0 | 0 | 113.4 | L231 R237 | L231-N233 VanDerWaalsContact C-N 3.29Å; L231-N233 PolarHBondContact O-N 3.33Å; N233-R237 WeakPolarHBondContact O-CG 3.41Å |
| 234 | Q | 74.1 | Confident | 68 | Low | 128 Ų | 128 | 128.4 Ų | 128.4 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -86.7 | -35.4 | 177.4 | -168.1 | 170.2 | 0.7 | 0 | 0 | 112 | L231 E232 R237 N238 | L231-Q234 WeakPolarHBondContact O-CB 3.48Å; L231-Q234 PolarHBondContact O-N 3.12Å; E232-Q234 PolarHBondContact O-N 2.76Å; Q234-R237 PolarHBondContact O-N 2.69Å; Q234-N238 PolarHBondContact O-N 2.86Å |
| 235 | L | 72.3 | Confident | 70.1 | Confident | 108 Ų | 108 | 125.9 Ų | 125.9 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.9 | -46.2 | 173.7 | -81.7 | 156.8 | 0 | 0 | 0 | 111.7 | L231 E232 R237 N238 E239 | L231-L235 PolarHBondContact O-N 2.8Å; E232-L235 PolarHBondContact O-N 3.3Å; L235-R237 PolarHBondContact O-N 2.88Å; L235-N238 WeakPolarHBondContact O-CB 3.38Å; L235-N238 PolarHBondContact O-N 3Å; L235-E239 PolarHBondContact O-N 3.38Å |
| 236 | L | 72.3 | Confident | 71.5 | Confident | 93 Ų | 93 | 122.9 Ų | 122.9 | 49% | 0.487 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -57.4 | -33.6 | 175.9 | -71.7 | 169.6 | 0 | 0 | 0 | 112.9 | E232 V240 | E232-L236 HydrophobicContact CG-CD1 4.37Å; E232-L236 PolarHBondContact O-N 3.5Å; L236-V240 WeakPolarHBondContact O-CB 3.39Å; L236-V240 VanDerWaalsContact O-CG2 3.26Å; L236-V240 WeakPolarHBondContact O-CG2 3.42Å; L236-V240 PolarHBondContact O-N 3.49Å |
| 237 | R | 75.1 | Confident | 73.2 | Confident | 184 Ų | 184 | 120.5 Ų | 120.5 | 69% | 0.694 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.1 | -40.3 | 174.6 | -76.1 | 179.3 | 175.2 | -142.8 | -2.9 | 112.7 | N233 Q234 L235 Q241 | N233-R237 WeakPolarHBondContact O-CG 3.41Å; Q234-R237 PolarHBondContact O-N 2.69Å; L235-R237 PolarHBondContact O-N 2.88Å; R237-Q241 VanDerWaalsContact O-CB 3.32Å; R237-Q241 WeakPolarHBondContact O-CB 3.24Å; R237-Q241 PolarHBondContact O-N 3.32Å |
| 238 | N | 78.6 | Confident | 74.6 | Confident | 101 Ų | 101 | 118 Ų | 118 | 54% | 0.54 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.8 | -39.8 | 174.2 | -92.9 | -21.8 | 0 | 0 | 0 | 111.6 | Q234 L235 Q241 S242 | Q234-N238 PolarHBondContact O-N 2.86Å; L235-N238 WeakPolarHBondContact O-CB 3.38Å; L235-N238 PolarHBondContact O-N 3Å; N238-Q241 PolarHBondContact O-N 2.74Å; N238-S242 WeakPolarHBondContact O-CB 3.36Å; N238-S242 PolarHBondContact O-N 3.3Å |
| 239 | E | 80.6 | Confident | 76 | Confident | 128 Ų | 128 | 114.9 Ų | 114.9 | 60% | 0.598 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.3 | -40.5 | 179.4 | -168 | 149.7 | -157.9 | 0 | 0 | 112 | L235 Q241 S242 L243 | L235-E239 PolarHBondContact O-N 3.38Å; E239-Q241 VanDerWaalsContact C-N 3.31Å; E239-Q241 PolarHBondContact O-N 2.79Å; E239-S242 PolarHBondContact O-N 3.47Å; E239-L243 HydrophobicContact CG-CD1 4.31Å; E239-L243 VanDerWaalsContact O-CB 3.31Å; E239-L243 WeakPolarHBondContact O-CB 3.37Å; E239-L243 PolarHBondContact O-N 2.81Å |
| 240 | V | 78.9 | Confident | 77.2 | Confident | 99 Ų | 99 | 114.8 Ų | 114.8 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.1 | -38.3 | 168.9 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | L236 N244 | L236-V240 WeakPolarHBondContact O-CB 3.39Å; L236-V240 VanDerWaalsContact O-CG2 3.26Å; L236-V240 WeakPolarHBondContact O-CG2 3.42Å; L236-V240 PolarHBondContact O-N 3.49Å; V240-N244 WeakPolarHBondContact O-CB 3.25Å; V240-N244 PolarHBondContact O-N 2.84Å |
| 241 | Q | 79.9 | Confident | 78.4 | Confident | 128 Ų | 128 | 108.4 Ų | 108.4 | 60% | 0.598 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.6 | -40.7 | 177.1 | -173 | 169.1 | -6.8 | 0 | 0 | 112.1 | R237 N238 E239 N244 Q245 | R237-Q241 VanDerWaalsContact O-CB 3.32Å; R237-Q241 WeakPolarHBondContact O-CB 3.24Å; R237-Q241 PolarHBondContact O-N 3.32Å; N238-Q241 PolarHBondContact O-N 2.74Å; E239-Q241 VanDerWaalsContact C-N 3.31Å; E239-Q241 PolarHBondContact O-N 2.79Å; Q241-N244 PolarHBondContact O-N 3.11Å; Q241-Q245 WeakPolarHBondContact O-CB 3.45Å; Q241-Q245 PolarHBondContact O-N 2.8Å |
| 242 | S | 79.1 | Confident | 79.5 | Confident | 61 Ų | 61 | 108 Ų | 108 | 43% | 0.427 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.1 | -48.4 | 174.5 | -164.3 | 0 | 0 | 0 | 0 | 111.1 | N238 E239 N244 Q245 E246 | N238-S242 WeakPolarHBondContact O-CB 3.36Å; N238-S242 PolarHBondContact O-N 3.3Å; E239-S242 PolarHBondContact O-N 3.47Å; S242-N244 VanDerWaalsContact C-N 3.29Å; S242-N244 PolarHBondContact O-N 3.22Å; S242-Q245 CarbonylContact O-C 3.58Å; S242-Q245 PolarHBondContact O-N 3.12Å; S242-Q245 VanDerWaalsContact O-N 3.12Å; S242-E246 PolarHBondContact O-N 3.13Å |
| 243 | L | 81.1 | Confident | 80.5 | Confident | 101 Ų | 101 | 111 Ų | 111 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.9 | -36.7 | 174.6 | -84.3 | 164.1 | 0 | 0 | 0 | 112.5 | E239 M247 | E239-L243 HydrophobicContact CG-CD1 4.31Å; E239-L243 VanDerWaalsContact O-CB 3.31Å; E239-L243 WeakPolarHBondContact O-CB 3.37Å; E239-L243 PolarHBondContact O-N 2.81Å; L243-M247 WeakPolarHBondContact O-CB 3.36Å; L243-M247 PolarHBondContact O-N 2.92Å |
| 244 | N | 82.1 | Confident | 81.4 | Confident | 110 Ų | 110 | 109.9 Ų | 109.9 | 59% | 0.588 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71 | -35.3 | 176.4 | -163.2 | 13.2 | 0 | 0 | 0 | 111.6 | V240 Q241 S242 A248 | V240-N244 WeakPolarHBondContact O-CB 3.25Å; V240-N244 PolarHBondContact O-N 2.84Å; Q241-N244 PolarHBondContact O-N 3.11Å; S242-N244 VanDerWaalsContact C-N 3.29Å; S242-N244 PolarHBondContact O-N 3.22Å; N244-A248 VanDerWaalsContact O-CB 3.28Å; N244-A248 WeakPolarHBondContact O-CB 3.37Å; N244-A248 PolarHBondContact O-N 3.36Å |
| 245 | Q | 82.6 | Confident | 82.1 | Confident | 144 Ų | 144 | 109.5 Ų | 109.5 | 67% | 0.673 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71 | -40.1 | 173.9 | -169.9 | 167.9 | 3.4 | 0 | 0 | 112 | Q241 S242 A248 S249 | Q241-Q245 WeakPolarHBondContact O-CB 3.45Å; Q241-Q245 PolarHBondContact O-N 2.8Å; S242-Q245 CarbonylContact O-C 3.58Å; S242-Q245 PolarHBondContact O-N 3.12Å; S242-Q245 VanDerWaalsContact O-N 3.12Å; Q245-A248 PolarHBondContact O-N 2.77Å; Q245-S249 WeakPolarHBondContact O-CB 3.4Å; Q245-S249 PolarHBondContact O-N 3.14Å |
| 246 | E | 85 | Confident | 82.9 | Confident | 118 Ų | 118 | 108.8 Ų | 108.8 | 55% | 0.551 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -48.2 | 171.5 | -74.8 | -167.2 | 168.8 | 0 | 0 | 111.1 | S242 A248 S249 L250 | S242-E246 PolarHBondContact O-N 3.13Å; E246-A248 VanDerWaalsContact C-N 3.32Å; E246-A248 PolarHBondContact O-N 2.84Å; E246-S249 CarbonylContact O-C 3.59Å; E246-S249 WeakPolarHBondContact O-CA 3.33Å; E246-S249 PolarHBondContact O-N 3.45Å; E246-S249 VanDerWaalsContact O-N 3.07Å; E246-S249 PolarHBondContact O-OG 3.16Å; E246-L250 WeakPolarHBondContact O-CB 3.5Å; E246-L250 PolarHBondContact O-N 3.26Å |
| 247 | M | 84.4 | Confident | 83.6 | Confident | 116 Ų | 116 | 107.9 Ų | 107.9 | 57% | 0.571 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -55.3 | -45.7 | 174.2 | -176.1 | 94.7 | 73 | 0 | 0 | 111.3 | L243 L250 I251 | L243-M247 WeakPolarHBondContact O-CB 3.36Å; L243-M247 PolarHBondContact O-N 2.92Å; M247-L250 PolarHBondContact O-N 2.91Å; M247-I251 HydrophobicContact CG-CD1 3.86Å; M247-I251 WeakPolarHBondContact O-CB 3.39Å; M247-I251 VanDerWaalsContact O-CG1 3.23Å; M247-I251 WeakPolarHBondContact O-CG1 3.46Å; M247-I251 PolarHBondContact O-N 3.43Å |
| 248 | A | 83.3 | Confident | 84.2 | Confident | 55 Ų | 55 | 103.5 Ų | 103.5 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N244 Q245 E246 I251 Q252 | N244-A248 VanDerWaalsContact O-CB 3.28Å; N244-A248 WeakPolarHBondContact O-CB 3.37Å; N244-A248 PolarHBondContact O-N 3.36Å; Q245-A248 PolarHBondContact O-N 2.77Å; E246-A248 VanDerWaalsContact C-N 3.32Å; E246-A248 PolarHBondContact O-N 2.84Å; A248-I251 PolarHBondContact O-N 3.37Å; A248-Q252 VanDerWaalsContact O-CB 3.28Å; A248-Q252 WeakPolarHBondContact O-CB 3.46Å; A248-Q252 PolarHBondContact O-N 2.79Å |
| 249 | S | 83.6 | Confident | 84.7 | Confident | 70 Ų | 70 | 103.6 Ų | 103.6 | 49% | 0.49 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -34.5 | 175.8 | 80.6 | 0 | 0 | 0 | 0 | 112.8 | Q245 E246 Q252 R253 | Q245-S249 WeakPolarHBondContact O-CB 3.4Å; Q245-S249 PolarHBondContact O-N 3.14Å; E246-S249 CarbonylContact O-C 3.59Å; E246-S249 WeakPolarHBondContact O-CA 3.33Å; E246-S249 PolarHBondContact O-N 3.45Å; E246-S249 VanDerWaalsContact O-N 3.07Å; E246-S249 PolarHBondContact O-OG 3.16Å; S249-Q252 PolarHBondContact O-N 3.17Å; S249-R253 VanDerWaalsContact O-CB 3.24Å; S249-R253 WeakPolarHBondContact O-CB 3.4Å; S249-R253 PolarHBondContact O-N 2.92Å |
| 250 | L | 86.8 | Confident | 85.2 | Confident | 125 Ų | 125 | 103.5 Ų | 103.5 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -73.1 | -40.3 | 178.4 | -152.1 | 89.6 | 0 | 0 | 0 | 110.8 | E246 M247 C254 | E246-L250 WeakPolarHBondContact O-CB 3.5Å; E246-L250 PolarHBondContact O-N 3.26Å; M247-L250 PolarHBondContact O-N 2.91Å; L250-C254 WeakPolarHBondContact O-CB 3.16Å; L250-C254 PolarHBondContact O-N 3.37Å |
| 251 | I | 86.6 | Confident | 85.8 | Confident | 87 Ų | 87 | 102.2 Ų | 102.2 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 172.1 | -71 | 166.4 | 0 | 0 | 0 | 110.3 | M247 A248 C254 K255 | M247-I251 HydrophobicContact CG-CD1 3.86Å; M247-I251 WeakPolarHBondContact O-CB 3.39Å; M247-I251 VanDerWaalsContact O-CG1 3.23Å; M247-I251 WeakPolarHBondContact O-CG1 3.46Å; M247-I251 PolarHBondContact O-N 3.43Å; A248-I251 PolarHBondContact O-N 3.37Å; I251-C254 PolarHBondContact O-N 3.01Å; I251-K255 HydrophobicContact CG2-CD 4.36Å; I251-K255 WeakPolarHBondContact O-CB 3.48Å; I251-K255 WeakPolarHBondContact O-CG 3.26Å; I251-K255 PolarHBondContact O-N 2.91Å |
| 252 | Q | 87.5 | Confident | 86.3 | Confident | 96 Ų | 96 | 99.2 Ų | 99.2 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 177.2 | -177.6 | 59.5 | 21.8 | 0 | 0 | 111 | A248 S249 C254 K255 E256 | A248-Q252 VanDerWaalsContact O-CB 3.28Å; A248-Q252 WeakPolarHBondContact O-CB 3.46Å; A248-Q252 PolarHBondContact O-N 2.79Å; S249-Q252 PolarHBondContact O-N 3.17Å; Q252-C254 VanDerWaalsContact C-N 3.33Å; Q252-C254 PolarHBondContact O-N 3.37Å; Q252-K255 WeakPolarHBondContact O-CB 3.33Å; Q252-K255 PolarHBondContact O-N 3.33Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.38Å; Q252-E256 PolarHBondContact NE2-OE1 3.17Å; Q252-E256 WeakPolarHBondContact O-CG 3.31Å; Q252-E256 PolarHBondContact O-N 2.95Å |
| 253 | R | 87.6 | Confident | 86.9 | Confident | 178 Ų | 178 | 101.1 Ų | 101.1 | 67% | 0.672 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -39.9 | 174.8 | -172.1 | 174.1 | -174.4 | 152.1 | 2.7 | 112.1 | S249 E256 T257 | S249-R253 VanDerWaalsContact O-CB 3.24Å; S249-R253 WeakPolarHBondContact O-CB 3.4Å; S249-R253 PolarHBondContact O-N 2.92Å; R253-E256 PolarHBondContact O-N 2.66Å; R253-T257 WeakPolarHBondContact O-CG2 3.31Å; R253-T257 PolarHBondContact O-N 3.46Å; R253-T257 PolarHBondContact O-OG1 2.86Å; R253-T257 VanDerWaalsContact O-OG1 3.08Å |
| 254 | C | 87.1 | Confident | 87.1 | Confident | 78 Ų | 78 | 98.1 Ų | 98.1 | 53% | 0.527 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | L250 I251 Q252 T257 Q258 | L250-C254 WeakPolarHBondContact O-CB 3.16Å; L250-C254 PolarHBondContact O-N 3.37Å; I251-C254 PolarHBondContact O-N 3.01Å; Q252-C254 VanDerWaalsContact C-N 3.33Å; Q252-C254 PolarHBondContact O-N 3.37Å; C254-T257 WeakPolarHBondContact CA-OG1 3.36Å; C254-T257 PolarHBondContact O-N 2.91Å; C254-T257 PolarHBondContact O-OG1 3.41Å; C254-Q258 VanDerWaalsContact O-CB 3.26Å; C254-Q258 WeakPolarHBondContact O-CB 3.44Å; C254-Q258 PolarHBondContact O-N 3.09Å |
| 255 | K | 90.4 | Very high | 87.5 | Confident | 119 Ų | 119 | 100.5 Ų | 100.5 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 173.4 | -75.4 | 175.9 | 179.3 | -179.3 | 0 | 112.6 | I251 Q252 Q258 E259 | I251-K255 HydrophobicContact CG2-CD 4.36Å; I251-K255 WeakPolarHBondContact O-CB 3.48Å; I251-K255 WeakPolarHBondContact O-CG 3.26Å; I251-K255 PolarHBondContact O-N 2.91Å; Q252-K255 WeakPolarHBondContact O-CB 3.33Å; Q252-K255 PolarHBondContact O-N 3.33Å; K255-Q258 CarbonylContact O-C 3.58Å; K255-Q258 PolarHBondContact O-N 2.84Å; K255-E259 WeakPolarHBondContact O-CB 3.47Å; K255-E259 WeakPolarHBondContact O-CG 3.45Å; K255-E259 PolarHBondContact O-N 3.38Å |
| 256 | E | 89.1 | Confident | 88 | Confident | 94 Ų | 94 | 99.5 Ų | 99.5 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 177.1 | -74.2 | 164.9 | -176.3 | 0 | 0 | 111 | Q252 R253 Q258 E259 E260 | Q252-E256 WeakPolarHBondContact CG-OE1 3.38Å; Q252-E256 PolarHBondContact NE2-OE1 3.17Å; Q252-E256 WeakPolarHBondContact O-CG 3.31Å; Q252-E256 PolarHBondContact O-N 2.95Å; R253-E256 PolarHBondContact O-N 2.66Å; E256-Q258 VanDerWaalsContact C-N 3.31Å; E256-Q258 PolarHBondContact O-N 3.35Å; E256-E259 PolarHBondContact O-N 3.43Å; E256-E260 WeakPolarHBondContact O-CB 3.36Å; E256-E260 WeakPolarHBondContact O-CG 3.27Å; E256-E260 PolarHBondContact O-N 2.82Å |
| 257 | T | 86.1 | Confident | 88.3 | Confident | 73 Ų | 73 | 101.5 Ų | 101.5 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -32.6 | 174.8 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | R253 C254 L261 | R253-T257 WeakPolarHBondContact O-CG2 3.31Å; R253-T257 PolarHBondContact O-N 3.46Å; R253-T257 PolarHBondContact O-OG1 2.86Å; R253-T257 VanDerWaalsContact O-OG1 3.08Å; C254-T257 WeakPolarHBondContact CA-OG1 3.36Å; C254-T257 PolarHBondContact O-N 2.91Å; C254-T257 PolarHBondContact O-OG1 3.41Å; T257-L261 WeakPolarHBondContact O-CB 3.22Å; T257-L261 PolarHBondContact O-N 3.28Å |
| 258 | Q | 88.2 | Confident | 88.5 | Confident | 92 Ų | 92 | 100.8 Ų | 100.8 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.1 | -37.1 | 175.2 | -176.9 | 63.6 | 30 | 0 | 0 | 111.5 | C254 K255 E256 N262 | C254-Q258 VanDerWaalsContact O-CB 3.26Å; C254-Q258 WeakPolarHBondContact O-CB 3.44Å; C254-Q258 PolarHBondContact O-N 3.09Å; K255-Q258 CarbonylContact O-C 3.58Å; K255-Q258 PolarHBondContact O-N 2.84Å; E256-Q258 VanDerWaalsContact C-N 3.31Å; E256-Q258 PolarHBondContact O-N 3.35Å; Q258-N262 PolarHBondContact NE2-OD1 2.69Å; Q258-N262 WeakPolarHBondContact O-CB 3.22Å; Q258-N262 PolarHBondContact O-N 2.87Å; Q258-N262 PolarHBondContact O-OD1 3.05Å |
| 259 | E | 89.9 | Confident | 88.9 | Confident | 103 Ų | 103 | 104.3 Ų | 104.3 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | 172 | -80.5 | -170.6 | -151.9 | 0 | 0 | 112 | K255 E256 L261 N262 K263 | K255-E259 WeakPolarHBondContact O-CB 3.47Å; K255-E259 WeakPolarHBondContact O-CG 3.45Å; K255-E259 PolarHBondContact O-N 3.38Å; E256-E259 PolarHBondContact O-N 3.43Å; E259-L261 VanDerWaalsContact C-N 3.35Å; E259-N262 PolarHBondContact O-N 3.35Å; E259-K263 VanDerWaalsContact O-CB 3.31Å; E259-K263 WeakPolarHBondContact O-CB 3.31Å; E259-K263 WeakPolarHBondContact O-CD 3.48Å; E259-K263 WeakPolarHBondContact O-CG 3.37Å; E259-K263 PolarHBondContact O-N 3.37Å; E259-K263 IonicContact OE2-NZ 2.81Å; E259-K263 PolarHBondContact OE2-NZ 2.94Å |
| 260 | E | 90.5 | Very high | 89.3 | Confident | 127 Ų | 127 | 107.7 Ų | 107.7 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 173 | -74.8 | -176.6 | 166.3 | 0 | 0 | 111.5 | E256 K263 S264 | E256-E260 WeakPolarHBondContact O-CB 3.36Å; E256-E260 WeakPolarHBondContact O-CG 3.27Å; E256-E260 PolarHBondContact O-N 2.82Å; E260-K263 PolarHBondContact O-N 3.32Å; E260-S264 WeakPolarHBondContact O-CB 3.35Å; E260-S264 PolarHBondContact O-N 3.02Å |
| 261 | L | 90.4 | Very high | 89.5 | Confident | 72 Ų | 72 | 111.2 Ų | 111.2 | 38% | 0.377 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 172.7 | -175.2 | 67.2 | 0 | 0 | 0 | 110.4 | T257 E259 S264 R265 | T257-L261 WeakPolarHBondContact O-CB 3.22Å; T257-L261 PolarHBondContact O-N 3.28Å; E259-L261 VanDerWaalsContact C-N 3.35Å; L261-S264 PolarHBondContact O-N 3.39Å; L261-S264 PolarHBondContact O-OG 2.9Å; L261-R265 WeakPolarHBondContact O-CG 3.45Å; L261-R265 PolarHBondContact O-N 3.02Å |
| 262 | N | 90 | Very high | 89.8 | Confident | 65 Ų | 65 | 110.6 Ų | 110.6 | 35% | 0.348 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 175.5 | -72.6 | -10.1 | 0 | 0 | 0 | 111.6 | Q258 E259 S264 R265 E266 | Q258-N262 PolarHBondContact NE2-OD1 2.69Å; Q258-N262 WeakPolarHBondContact O-CB 3.22Å; Q258-N262 PolarHBondContact O-N 2.87Å; Q258-N262 PolarHBondContact O-OD1 3.05Å; E259-N262 PolarHBondContact O-N 3.35Å; N262-S264 PolarHBondContact O-N 3.31Å; N262-R265 CarbonylContact O-C 3.53Å; N262-R265 WeakPolarHBondContact O-CB 3.32Å; N262-R265 PolarHBondContact O-N 2.94Å; N262-E266 WeakPolarHBondContact O-CG 3.17Å; N262-E266 PolarHBondContact O-N 2.85Å |
| 263 | K | 92.8 | Very high | 90 | Very high | 101 Ų | 101 | 109 Ų | 109 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -27.5 | 174.3 | -70.8 | 159.4 | -172.7 | 153.4 | 0 | 112.6 | E259 E260 R267 | E259-K263 VanDerWaalsContact O-CB 3.31Å; E259-K263 WeakPolarHBondContact O-CB 3.31Å; E259-K263 WeakPolarHBondContact O-CD 3.48Å; E259-K263 WeakPolarHBondContact O-CG 3.37Å; E259-K263 PolarHBondContact O-N 3.37Å; E259-K263 IonicContact OE2-NZ 2.81Å; E259-K263 PolarHBondContact OE2-NZ 2.94Å; E260-K263 PolarHBondContact O-N 3.32Å; K263-R267 VanDerWaalsContact O-CG 3.29Å; K263-R267 WeakPolarHBondContact O-CG 3.47Å; K263-R267 PolarHBondContact O-N 2.82Å; K263-R267 PolarHBondContact O-NE 2.83Å; K263-R267 VanDerWaalsContact O-NE 3.1Å |
| 264 | S | 86.1 | Confident | 90.2 | Very high | 37 Ų | 37 | 103.6 Ų | 103.6 | 26% | 0.259 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -76.8 | -41.1 | 172.1 | 81.1 | 0 | 0 | 0 | 0 | 111.8 | E260 L261 N262 R267 V268 | E260-S264 WeakPolarHBondContact O-CB 3.35Å; E260-S264 PolarHBondContact O-N 3.02Å; L261-S264 PolarHBondContact O-N 3.39Å; L261-S264 PolarHBondContact O-OG 2.9Å; N262-S264 PolarHBondContact O-N 3.31Å; S264-R267 PolarHBondContact O-N 2.96Å; S264-V268 WeakPolarHBondContact O-CG2 3.41Å; S264-V268 PolarHBondContact O-N 3.5Å |
| 265 | R | 90.1 | Very high | 90.5 | Very high | 160 Ų | 160 | 105.2 Ų | 105.2 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -47.2 | 175.6 | -75.3 | 177.9 | 173 | -155 | -1.6 | 111.7 | L261 N262 R267 V268 E269 | L261-R265 WeakPolarHBondContact O-CG 3.45Å; L261-R265 PolarHBondContact O-N 3.02Å; N262-R265 CarbonylContact O-C 3.53Å; N262-R265 WeakPolarHBondContact O-CB 3.32Å; N262-R265 PolarHBondContact O-N 2.94Å; R265-R267 VanDerWaalsContact C-N 3.28Å; R265-R267 PolarHBondContact O-N 2.85Å; R265-V268 CarbonylContact O-C 3.58Å; R265-V268 PolarHBondContact O-N 3.46Å; R265-V268 VanDerWaalsContact O-N 3.12Å; R265-E269 WeakPolarHBondContact O-CB 3.32Å; R265-E269 PolarHBondContact O-N 2.8Å |
| 266 | E | 91.5 | Very high | 90.6 | Very high | 124 Ų | 124 | 101.3 Ų | 101.3 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.6 | -39.6 | 174.9 | -72.9 | 170.9 | -169.5 | 0 | 0 | 111.9 | N262 K270 | N262-E266 WeakPolarHBondContact O-CG 3.17Å; N262-E266 PolarHBondContact O-N 2.85Å; E266-K270 VanDerWaalsContact O-CB 3.25Å; E266-K270 WeakPolarHBondContact O-CB 3.4Å; E266-K270 PolarHBondContact O-N 2.88Å |
| 267 | R | 92.7 | Very high | 90.8 | Very high | 159 Ų | 159 | 102 Ų | 102 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.1 | -49.3 | 172.4 | -78.2 | -176.5 | -64.8 | 152.2 | -1.9 | 111.3 | K263 S264 R265 E269 K270 W271 | K263-R267 VanDerWaalsContact O-CG 3.29Å; K263-R267 WeakPolarHBondContact O-CG 3.47Å; K263-R267 PolarHBondContact O-N 2.82Å; K263-R267 PolarHBondContact O-NE 2.83Å; K263-R267 VanDerWaalsContact O-NE 3.1Å; S264-R267 PolarHBondContact O-N 2.96Å; R265-R267 VanDerWaalsContact C-N 3.28Å; R265-R267 PolarHBondContact O-N 2.85Å; R267-E269 VanDerWaalsContact C-N 3.33Å; R267-E269 PolarHBondContact O-N 3.29Å; R267-K270 PolarHBondContact O-N 3.2Å; R267-W271 WeakPolarHBondContact O-CB 3.28Å; R267-W271 PolarHBondContact O-N 3.29Å |
| 268 | V | 89.3 | Confident | 91.1 | Very high | 101 Ų | 101 | 101.4 Ų | 101.4 | 61% | 0.612 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 179.2 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | S264 R265 W271 S272 | S264-V268 WeakPolarHBondContact O-CG2 3.41Å; S264-V268 PolarHBondContact O-N 3.5Å; R265-V268 CarbonylContact O-C 3.58Å; R265-V268 PolarHBondContact O-N 3.46Å; R265-V268 VanDerWaalsContact O-N 3.12Å; V268-W271 PolarHBondContact O-N 2.93Å; V268-S272 VanDerWaalsContact O-CB 3.24Å; V268-S272 WeakPolarHBondContact O-CB 3.38Å; V268-S272 PolarHBondContact O-N 3.32Å |
| 269 | E | 90.6 | Very high | 91.4 | Very high | 129 Ų | 129 | 100.2 Ų | 100.2 | 60% | 0.603 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65 | -45.8 | 175.2 | -175.8 | 174.7 | -172.1 | 0 | 0 | 111.1 | R265 R267 W271 S272 V273 | R265-E269 WeakPolarHBondContact O-CB 3.32Å; R265-E269 PolarHBondContact O-N 2.8Å; R267-E269 VanDerWaalsContact C-N 3.33Å; R267-E269 PolarHBondContact O-N 3.29Å; E269-W271 PolarHBondContact O-N 3.24Å; E269-S272 WeakPolarHBondContact O-CB 3.29Å; E269-S272 PolarHBondContact O-N 2.89Å; E269-V273 WeakPolarHBondContact O-CB 3.45Å; E269-V273 WeakPolarHBondContact O-CG2 3.38Å; E269-V273 PolarHBondContact O-N 3.41Å |
| 270 | K | 91.8 | Very high | 91.6 | Very high | 141 Ų | 141 | 103 Ų | 103 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.4 | -45.8 | 174.3 | -174 | 177.3 | 179.8 | -178.4 | 0 | 111.9 | E266 R267 S272 V273 D274 | E266-K270 VanDerWaalsContact O-CB 3.25Å; E266-K270 WeakPolarHBondContact O-CB 3.4Å; E266-K270 PolarHBondContact O-N 2.88Å; R267-K270 PolarHBondContact O-N 3.2Å; K270-S272 PolarHBondContact O-N 3.3Å; K270-V273 PolarHBondContact O-N 3.07Å; K270-D274 WeakPolarHBondContact O-CB 3.49Å; K270-D274 PolarHBondContact O-N 3.34Å |
| 271 | W | 91.5 | Very high | 91.8 | Very high | 199 Ų | 199 | 102.6 Ų | 102.6 | 75% | 0.754 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -40.9 | 174.4 | -87.1 | 102.4 | 0 | 0 | 0 | 112.1 | R267 V268 E269 D274 H275 | R267-W271 WeakPolarHBondContact O-CB 3.28Å; R267-W271 PolarHBondContact O-N 3.29Å; V268-W271 PolarHBondContact O-N 2.93Å; E269-W271 PolarHBondContact O-N 3.24Å; W271-D274 PolarHBondContact O-N 3.36Å; W271-H275 WeakPolarHBondContact O-CB 3.4Å; W271-H275 PolarHBondContact O-N 3.13Å |
| 272 | S | 91.8 | Very high | 92 | Very high | 75 Ų | 75 | 102.9 Ų | 102.9 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 176 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | V268 E269 K270 H275 S276 | V268-S272 VanDerWaalsContact O-CB 3.24Å; V268-S272 WeakPolarHBondContact O-CB 3.38Å; V268-S272 PolarHBondContact O-N 3.32Å; E269-S272 WeakPolarHBondContact O-CB 3.29Å; E269-S272 PolarHBondContact O-N 2.89Å; K270-S272 PolarHBondContact O-N 3.3Å; S272-H275 PolarHBondContact O-N 3.07Å; S272-S276 WeakPolarHBondContact O-CB 3.43Å; S272-S276 PolarHBondContact O-N 3.48Å |
| 273 | V | 93.2 | Very high | 92.2 | Very high | 61 Ų | 61 | 107.1 Ų | 107.1 | 37% | 0.37 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 175.7 | 166.3 | 0 | 0 | 0 | 0 | 110.7 | E269 K270 S276 K277 | E269-V273 WeakPolarHBondContact O-CB 3.45Å; E269-V273 WeakPolarHBondContact O-CG2 3.38Å; E269-V273 PolarHBondContact O-N 3.41Å; K270-V273 PolarHBondContact O-N 3.07Å; V273-S276 PolarHBondContact O-N 3.01Å; V273-S276 PolarHBondContact O-OG 3.42Å; V273-K277 HydrophobicContact CG1-CD 4.5Å; V273-K277 VanDerWaalsContact CG1-CE 3.49Å; V273-K277 WeakPolarHBondContact O-CG 3.45Å; V273-K277 PolarHBondContact O-N 2.96Å |
| 274 | D | 92.2 | Very high | 92.3 | Very high | 65 Ų | 65 | 107.1 Ų | 107.1 | 35% | 0.348 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.4 | -34.7 | -179.7 | -69.3 | -22.5 | 0 | 0 | 0 | 112.2 | K270 W271 K277 S278 | K270-D274 WeakPolarHBondContact O-CB 3.49Å; K270-D274 PolarHBondContact O-N 3.34Å; W271-D274 PolarHBondContact O-N 3.36Å; D274-K277 PolarHBondContact O-N 3.49Å; D274-K277 IonicContact OD1-NZ 2.69Å; D274-K277 PolarHBondContact OD1-NZ 3.15Å; D274-S278 WeakPolarHBondContact O-CB 3.16Å; D274-S278 PolarHBondContact O-N 2.96Å |
| 275 | H | 92.2 | Very high | 92.7 | Very high | 113 Ų | 113 | 109.9 Ų | 109.9 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 168.6 | -173.8 | 26.1 | 0 | 0 | 0 | 111.1 | W271 S272 K277 S278 D279 | W271-H275 WeakPolarHBondContact O-CB 3.4Å; W271-H275 PolarHBondContact O-N 3.13Å; S272-H275 PolarHBondContact O-N 3.07Å; H275-K277 VanDerWaalsContact C-N 3.28Å; H275-K277 PolarHBondContact O-N 3.45Å; H275-S278 CarbonylContact O-C 3.59Å; H275-S278 WeakPolarHBondContact O-CB 3.48Å; H275-S278 PolarHBondContact O-N 3.47Å; H275-S278 VanDerWaalsContact O-N 3.11Å; H275-D279 IonicContact CE1-OD1 2.89Å; H275-D279 PolarHBondContact CE1-OD1 2.91Å; H275-D279 IonicContact CE1-OD2 3.12Å; H275-D279 IonicContact ND1-OD1 3.75Å; H275-D279 PolarHBondContact ND1-OD1 3.31Å; H275-D279 VanDerWaalsContact ND1-OD1 3.13Å; H275-D279 IonicContact ND1-OD2 3.13Å; H275-D279 IonicContact NE2-OD2 3.58Å; H275-D279 WeakPolarHBondContact O-CB 3.32Å; H275-D279 PolarHBondContact O-N 2.82Å |
| 276 | S | 92.9 | Very high | 93 | Very high | 36 Ų | 36 | 107.5 Ų | 107.5 | 25% | 0.252 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -31.3 | 175.9 | 83.9 | 0 | 0 | 0 | 0 | 113.2 | S272 V273 R280 | S272-S276 WeakPolarHBondContact O-CB 3.43Å; S272-S276 PolarHBondContact O-N 3.48Å; V273-S276 PolarHBondContact O-N 3.01Å; V273-S276 PolarHBondContact O-OG 3.42Å; S276-R280 VanDerWaalsContact O-CG 3.22Å; S276-R280 WeakPolarHBondContact O-CG 3.38Å; S276-R280 PolarHBondContact O-N 2.94Å; S276-R280 PolarHBondContact OG-NH1 2.99Å; S276-R280 VanDerWaalsContact OG-NH1 3.16Å |
| 277 | K | 94.1 | Very high | 93.1 | Very high | 108 Ų | 108 | 103.7 Ų | 103.7 | 47% | 0.47 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.4 | -43.6 | 171.7 | -68 | 168.5 | -165.4 | 158 | 0 | 110.8 | V273 D274 H275 R280 M281 | V273-K277 HydrophobicContact CG1-CD 4.5Å; V273-K277 VanDerWaalsContact CG1-CE 3.49Å; V273-K277 WeakPolarHBondContact O-CG 3.45Å; V273-K277 PolarHBondContact O-N 2.96Å; D274-K277 PolarHBondContact O-N 3.49Å; D274-K277 IonicContact OD1-NZ 2.69Å; D274-K277 PolarHBondContact OD1-NZ 3.15Å; H275-K277 VanDerWaalsContact C-N 3.28Å; H275-K277 PolarHBondContact O-N 3.45Å; K277-R280 PolarHBondContact O-N 2.82Å; K277-M281 WeakPolarHBondContact O-CB 3.4Å; K277-M281 PolarHBondContact O-N 2.88Å |
| 278 | S | 92.3 | Very high | 93.3 | Very high | 61 Ų | 61 | 102.6 Ų | 102.6 | 43% | 0.427 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 175.9 | -169.4 | 0 | 0 | 0 | 0 | 111.1 | D274 H275 R280 M281 V282 | D274-S278 WeakPolarHBondContact O-CB 3.16Å; D274-S278 PolarHBondContact O-N 2.96Å; H275-S278 CarbonylContact O-C 3.59Å; H275-S278 WeakPolarHBondContact O-CB 3.48Å; H275-S278 PolarHBondContact O-N 3.47Å; H275-S278 VanDerWaalsContact O-N 3.11Å; S278-R280 PolarHBondContact O-N 3.45Å; S278-M281 CarbonylContact O-C 3.52Å; S278-M281 WeakPolarHBondContact O-CB 3.34Å; S278-M281 PolarHBondContact O-N 2.77Å; S278-M281 VanDerWaalsContact O-N 3.14Å; S278-V282 WeakPolarHBondContact O-CG2 3.29Å; S278-V282 PolarHBondContact O-N 3.05Å |
| 279 | D | 94.3 | Very high | 93.6 | Very high | 68 Ų | 68 | 101.6 Ų | 101.6 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 178.8 | -74.8 | 8.1 | 0 | 0 | 0 | 112.5 | H275 K283 | H275-D279 IonicContact CE1-OD1 2.89Å; H275-D279 PolarHBondContact CE1-OD1 2.91Å; H275-D279 IonicContact CE1-OD2 3.12Å; H275-D279 IonicContact ND1-OD1 3.75Å; H275-D279 PolarHBondContact ND1-OD1 3.31Å; H275-D279 VanDerWaalsContact ND1-OD1 3.13Å; H275-D279 IonicContact ND1-OD2 3.13Å; H275-D279 IonicContact NE2-OD2 3.58Å; H275-D279 WeakPolarHBondContact O-CB 3.32Å; H275-D279 PolarHBondContact O-N 2.82Å; D279-K283 WeakPolarHBondContact O-CB 3.44Å; D279-K283 VanDerWaalsContact O-CG 3.31Å; D279-K283 WeakPolarHBondContact O-CG 3.39Å; D279-K283 PolarHBondContact O-N 3.21Å |
| 280 | R | 93.1 | Very high | 93.8 | Very high | 161 Ų | 161 | 99.6 Ų | 99.6 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 170.8 | -74.1 | 174.9 | -160.2 | 118.2 | 5.1 | 111 | S276 K277 S278 K283 E284 | S276-R280 VanDerWaalsContact O-CG 3.22Å; S276-R280 WeakPolarHBondContact O-CG 3.38Å; S276-R280 PolarHBondContact O-N 2.94Å; S276-R280 PolarHBondContact OG-NH1 2.99Å; S276-R280 VanDerWaalsContact OG-NH1 3.16Å; K277-R280 PolarHBondContact O-N 2.82Å; S278-R280 PolarHBondContact O-N 3.45Å; R280-K283 PolarHBondContact O-N 3.3Å; R280-E284 WeakPolarHBondContact O-CB 3.31Å; R280-E284 PolarHBondContact O-N 2.84Å |
| 281 | M | 94.4 | Very high | 94.1 | Very high | 118 Ų | 118 | 98 Ų | 98 | 58% | 0.581 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 177.3 | -173.1 | -176.5 | -64.5 | 0 | 0 | 112 | K277 S278 E284 L285 | K277-M281 WeakPolarHBondContact O-CB 3.4Å; K277-M281 PolarHBondContact O-N 2.88Å; S278-M281 CarbonylContact O-C 3.52Å; S278-M281 WeakPolarHBondContact O-CB 3.34Å; S278-M281 PolarHBondContact O-N 2.77Å; S278-M281 VanDerWaalsContact O-N 3.14Å; M281-E284 PolarHBondContact O-N 3.09Å; M281-L285 HydrophobicContact CG-CD1 4.11Å; M281-L285 WeakPolarHBondContact O-CB 3.32Å; M281-L285 VanDerWaalsContact O-CG 3.26Å; M281-L285 WeakPolarHBondContact O-CG 3.35Å; M281-L285 PolarHBondContact O-N 2.84Å |
| 282 | V | 94.8 | Very high | 94.3 | Very high | 79 Ų | 79 | 94.1 Ų | 94.1 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 174.5 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | S278 E284 L285 Q286 | S278-V282 WeakPolarHBondContact O-CG2 3.29Å; S278-V282 PolarHBondContact O-N 3.05Å; V282-E284 VanDerWaalsContact C-N 3.35Å; V282-E284 PolarHBondContact O-N 3.18Å; V282-L285 PolarHBondContact O-N 3.45Å; V282-Q286 VanDerWaalsContact O-CB 3.27Å; V282-Q286 WeakPolarHBondContact O-CB 3.46Å; V282-Q286 PolarHBondContact O-N 2.85Å |
| 283 | K | 94.4 | Very high | 94.5 | Very high | 154 Ų | 154 | 94.7 Ų | 94.7 | 67% | 0.67 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.8 | -37.2 | 175.6 | -74.6 | 175.5 | 179.6 | 179.7 | 0 | 112.9 | D279 R280 A287 | D279-K283 WeakPolarHBondContact O-CB 3.44Å; D279-K283 VanDerWaalsContact O-CG 3.31Å; D279-K283 WeakPolarHBondContact O-CG 3.39Å; D279-K283 PolarHBondContact O-N 3.21Å; R280-K283 PolarHBondContact O-N 3.3Å; K283-A287 WeakPolarHBondContact O-CB 3.35Å; K283-A287 PolarHBondContact O-N 2.86Å |
| 284 | E | 95.1 | Very high | 94.6 | Very high | 100 Ų | 100 | 99 Ų | 99 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | 175.1 | -171.4 | -175.8 | 169.8 | 0 | 0 | 111.8 | R280 M281 V282 R288 | R280-E284 WeakPolarHBondContact O-CB 3.31Å; R280-E284 PolarHBondContact O-N 2.84Å; M281-E284 PolarHBondContact O-N 3.09Å; V282-E284 VanDerWaalsContact C-N 3.35Å; V282-E284 PolarHBondContact O-N 3.18Å; E284-R288 WeakPolarHBondContact O-CB 3.49Å; E284-R288 VanDerWaalsContact O-CG 3.22Å; E284-R288 WeakPolarHBondContact O-CG 3.42Å; E284-R288 PolarHBondContact O-N 2.87Å; E284-R288 IonicContact OE1-CZ 3.91Å; E284-R288 IonicContact OE1-NE 3.37Å; E284-R288 PolarHBondContact OE1-NE 2.97Å; E284-R288 IonicContact OE1-NH2 4Å; E284-R288 PolarHBondContact OE1-NH2 2.81Å |
| 285 | L | 94.7 | Very high | 94.8 | Very high | 95 Ų | 95 | 98.3 Ų | 98.3 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 174.1 | -72.9 | 170.5 | 0 | 0 | 0 | 111.6 | M281 V282 R288 V289 | M281-L285 HydrophobicContact CG-CD1 4.11Å; M281-L285 WeakPolarHBondContact O-CB 3.32Å; M281-L285 VanDerWaalsContact O-CG 3.26Å; M281-L285 WeakPolarHBondContact O-CG 3.35Å; M281-L285 PolarHBondContact O-N 2.84Å; V282-L285 PolarHBondContact O-N 3.45Å; L285-R288 PolarHBondContact O-N 3.32Å; L285-V289 VanDerWaalsContact O-CG2 3.31Å; L285-V289 WeakPolarHBondContact O-CG2 3.31Å; L285-V289 PolarHBondContact O-N 3.12Å |
| 286 | Q | 95.5 | Very high | 95 | Very high | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -51.5 | 174.8 | -164.2 | 75.2 | 36.9 | 0 | 0 | 110.4 | V282 R288 V289 D290 | V282-Q286 VanDerWaalsContact O-CB 3.27Å; V282-Q286 WeakPolarHBondContact O-CB 3.46Å; V282-Q286 PolarHBondContact O-N 2.85Å; Q286-R288 VanDerWaalsContact C-N 3.33Å; Q286-R288 PolarHBondContact O-N 2.83Å; Q286-V289 CarbonylContact O-C 3.26Å; Q286-V289 WeakPolarHBondContact O-CA 3.38Å; Q286-V289 WeakPolarHBondContact O-CB 3.32Å; Q286-V289 PolarHBondContact O-N 3.3Å; Q286-D290 VanDerWaalsContact O-CG 3.25Å; Q286-D290 PolarHBondContact O-N 3.35Å |
| 287 | A | 94.6 | Very high | 95.1 | Very high | 45 Ų | 45 | 97.1 Ų | 97.1 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K283 V289 D290 D291 | K283-A287 WeakPolarHBondContact O-CB 3.35Å; K283-A287 PolarHBondContact O-N 2.86Å; A287-V289 VanDerWaalsContact C-N 3.32Å; A287-V289 PolarHBondContact O-N 3.06Å; A287-D290 PolarHBondContact O-N 3.37Å; A287-D291 WeakPolarHBondContact O-CB 3.49Å; A287-D291 VanDerWaalsContact O-CG 3.23Å; A287-D291 PolarHBondContact O-N 3.5Å |
| 288 | R | 96 | Very high | 95.1 | Very high | 136 Ų | 136 | 93.9 Ų | 93.9 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -34.1 | 174 | -71.8 | 169.6 | -177.4 | -145.5 | 7.4 | 112.9 | E284 L285 Q286 L292 | E284-R288 WeakPolarHBondContact O-CB 3.49Å; E284-R288 VanDerWaalsContact O-CG 3.22Å; E284-R288 WeakPolarHBondContact O-CG 3.42Å; E284-R288 PolarHBondContact O-N 2.87Å; E284-R288 IonicContact OE1-CZ 3.91Å; E284-R288 IonicContact OE1-NE 3.37Å; E284-R288 PolarHBondContact OE1-NE 2.97Å; E284-R288 IonicContact OE1-NH2 4Å; E284-R288 PolarHBondContact OE1-NH2 2.81Å; L285-R288 PolarHBondContact O-N 3.32Å; Q286-R288 VanDerWaalsContact C-N 3.33Å; Q286-R288 PolarHBondContact O-N 2.83Å; R288-L292 VanDerWaalsContact O-CB 3.31Å; R288-L292 WeakPolarHBondContact O-CB 3.47Å; R288-L292 WeakPolarHBondContact O-CD1 3.37Å; R288-L292 WeakPolarHBondContact O-CG 3.43Å; R288-L292 PolarHBondContact O-N 3.28Å |
| 289 | V | 96.4 | Very high | 95.3 | Very high | 79 Ų | 79 | 97.1 Ų | 97.1 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 174.7 | 166.2 | 0 | 0 | 0 | 0 | 110.6 | L285 Q286 A287 L292 T293 | L285-V289 VanDerWaalsContact O-CG2 3.31Å; L285-V289 WeakPolarHBondContact O-CG2 3.31Å; L285-V289 PolarHBondContact O-N 3.12Å; Q286-V289 CarbonylContact O-C 3.26Å; Q286-V289 WeakPolarHBondContact O-CA 3.38Å; Q286-V289 WeakPolarHBondContact O-CB 3.32Å; Q286-V289 PolarHBondContact O-N 3.3Å; A287-V289 VanDerWaalsContact C-N 3.32Å; A287-V289 PolarHBondContact O-N 3.06Å; V289-L292 PolarHBondContact O-N 3.35Å; V289-T293 VanDerWaalsContact O-CB 3.32Å; V289-T293 WeakPolarHBondContact O-CB 3.25Å; V289-T293 PolarHBondContact O-N 2.86Å; V289-T293 PolarHBondContact O-OG1 2.86Å |
| 290 | D | 95.8 | Very high | 95.4 | Very high | 88 Ų | 88 | 98.6 Ų | 98.6 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 176.5 | -62.1 | -27.5 | 0 | 0 | 0 | 110.5 | Q286 A287 L292 T293 E294 | Q286-D290 VanDerWaalsContact O-CG 3.25Å; Q286-D290 PolarHBondContact O-N 3.35Å; A287-D290 PolarHBondContact O-N 3.37Å; D290-L292 VanDerWaalsContact C-N 3.35Å; D290-L292 PolarHBondContact O-N 3.48Å; D290-T293 WeakPolarHBondContact O-CB 3.35Å; D290-T293 PolarHBondContact O-N 3.38Å; D290-T293 VanDerWaalsContact O-N 3.09Å; D290-E294 PolarHBondContact O-N 3.21Å |
| 291 | D | 96.5 | Very high | 95.5 | Very high | 108 Ų | 108 | 94 Ų | 94 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -55.4 | -45.3 | 173.5 | -74.7 | -18.8 | 0 | 0 | 0 | 112 | A287 A295 | A287-D291 WeakPolarHBondContact O-CB 3.49Å; A287-D291 VanDerWaalsContact O-CG 3.23Å; A287-D291 PolarHBondContact O-N 3.5Å; D291-A295 VanDerWaalsContact O-CB 3.29Å; D291-A295 WeakPolarHBondContact O-CB 3.49Å; D291-A295 PolarHBondContact O-N 2.96Å |
| 292 | L | 95.8 | Very high | 95.6 | Very high | 116 Ų | 116 | 93 Ų | 93 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.3 | -35.1 | 177.3 | -76.3 | 171.5 | 0 | 0 | 0 | 112 | R288 V289 D290 A295 V296 | R288-L292 VanDerWaalsContact O-CB 3.31Å; R288-L292 WeakPolarHBondContact O-CB 3.47Å; R288-L292 WeakPolarHBondContact O-CD1 3.37Å; R288-L292 WeakPolarHBondContact O-CG 3.43Å; R288-L292 PolarHBondContact O-N 3.28Å; V289-L292 PolarHBondContact O-N 3.35Å; D290-L292 VanDerWaalsContact C-N 3.35Å; D290-L292 PolarHBondContact O-N 3.48Å; L292-A295 PolarHBondContact O-N 2.83Å; L292-V296 WeakPolarHBondContact O-CG2 3.46Å; L292-V296 PolarHBondContact O-N 3.24Å |
| 293 | T | 96.1 | Very high | 95.7 | Very high | 88 Ų | 88 | 93.2 Ų | 93.2 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.1 | -42.5 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | V289 D290 V296 G297 | V289-T293 VanDerWaalsContact O-CB 3.32Å; V289-T293 WeakPolarHBondContact O-CB 3.25Å; V289-T293 PolarHBondContact O-N 2.86Å; V289-T293 PolarHBondContact O-OG1 2.86Å; D290-T293 WeakPolarHBondContact O-CB 3.35Å; D290-T293 PolarHBondContact O-N 3.38Å; D290-T293 VanDerWaalsContact O-N 3.09Å; T293-V296 PolarHBondContact O-N 3.18Å; T293-G297 PolarHBondContact O-N 3.48Å |
| 294 | E | 95.9 | Very high | 95.8 | Very high | 152 Ų | 152 | 88.3 Ų | 88.3 | 71% | 0.71 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 172 | -171.7 | 176.9 | 173.3 | 0 | 0 | 111.1 | D290 V296 G297 A298 | D290-E294 PolarHBondContact O-N 3.21Å; E294-V296 VanDerWaalsContact C-N 3.32Å; E294-V296 PolarHBondContact O-N 3.26Å; E294-G297 PolarHBondContact O-N 2.66Å; E294-A298 WeakPolarHBondContact O-CB 3.39Å; E294-A298 PolarHBondContact O-N 2.85Å |
| 295 | A | 96.4 | Very high | 95.9 | Very high | 49 Ų | 49 | 86.9 Ų | 86.9 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D291 L292 A298 K299 | D291-A295 VanDerWaalsContact O-CB 3.29Å; D291-A295 WeakPolarHBondContact O-CB 3.49Å; D291-A295 PolarHBondContact O-N 2.96Å; L292-A295 PolarHBondContact O-N 2.83Å; A295-A298 PolarHBondContact O-N 3.48Å; A295-K299 VanDerWaalsContact O-CG 3.28Å; A295-K299 WeakPolarHBondContact O-CG 3.3Å; A295-K299 PolarHBondContact O-N 2.72Å |
| 296 | V | 95.3 | Very high | 96 | Very high | 85 Ų | 85 | 87.5 Ų | 87.5 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 172.4 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | L292 T293 E294 A298 K299 D300 | L292-V296 WeakPolarHBondContact O-CG2 3.46Å; L292-V296 PolarHBondContact O-N 3.24Å; T293-V296 PolarHBondContact O-N 3.18Å; E294-V296 VanDerWaalsContact C-N 3.32Å; E294-V296 PolarHBondContact O-N 3.26Å; V296-A298 VanDerWaalsContact C-N 3.29Å; V296-A298 PolarHBondContact O-N 3.46Å; V296-K299 CarbonylContact O-C 3.57Å; V296-K299 WeakPolarHBondContact O-CA 3.45Å; V296-K299 WeakPolarHBondContact O-CB 3.44Å; V296-K299 PolarHBondContact O-N 2.88Å; V296-D300 PolarHBondContact O-N 3.27Å |
| 297 | G | 95.6 | Very high | 96 | Very high | 39 Ų | 39 | 88.1 Ų | 88.1 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60 | -36.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T293 E294 K299 D300 S301 | T293-G297 PolarHBondContact O-N 3.48Å; E294-G297 PolarHBondContact O-N 2.66Å; G297-K299 VanDerWaalsContact C-N 3.33Å; G297-D300 PolarHBondContact O-N 2.91Å; G297-S301 WeakPolarHBondContact O-CB 3.48Å; G297-S301 PolarHBondContact O-N 3.32Å; G297-S301 PolarHBondContact O-OG 3.29Å |
| 298 | A | 95.2 | Very high | 96.2 | Very high | 40 Ų | 40 | 89.4 Ų | 89.4 | 33% | 0.331 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -32.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | E294 A295 V296 S301 Q302 | E294-A298 WeakPolarHBondContact O-CB 3.39Å; E294-A298 PolarHBondContact O-N 2.85Å; A295-A298 PolarHBondContact O-N 3.48Å; V296-A298 VanDerWaalsContact C-N 3.29Å; V296-A298 PolarHBondContact O-N 3.46Å; A298-S301 WeakPolarHBondContact CA-OG 3.43Å; A298-S301 PolarHBondContact O-OG 2.89Å; A298-S301 VanDerWaalsContact O-OG 3.07Å; A298-Q302 WeakPolarHBondContact O-CB 3.34Å; A298-Q302 WeakPolarHBondContact O-CG 3.31Å; A298-Q302 PolarHBondContact O-N 3.31Å; A298-Q302 VanDerWaalsContact O-N 3.13Å |
| 299 | K | 95.2 | Very high | 96.2 | Very high | 130 Ų | 130 | 90.3 Ų | 90.3 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -75.4 | -39.3 | 173.5 | -71.3 | -71.8 | 164.7 | -160.1 | 0 | 112.5 | A295 V296 G297 Q302 L303 | A295-K299 VanDerWaalsContact O-CG 3.28Å; A295-K299 WeakPolarHBondContact O-CG 3.3Å; A295-K299 PolarHBondContact O-N 2.72Å; V296-K299 CarbonylContact O-C 3.57Å; V296-K299 WeakPolarHBondContact O-CA 3.45Å; V296-K299 WeakPolarHBondContact O-CB 3.44Å; V296-K299 PolarHBondContact O-N 2.88Å; G297-K299 VanDerWaalsContact C-N 3.33Å; K299-Q302 WeakPolarHBondContact O-CB 3.27Å; K299-Q302 PolarHBondContact O-N 3.01Å; K299-L303 WeakPolarHBondContact O-CB 3.44Å; K299-L303 PolarHBondContact O-N 3.36Å |
| 300 | D | 96.1 | Very high | 96.2 | Very high | 98 Ų | 98 | 91.7 Ų | 91.7 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 177 | -74.7 | -31.3 | 0 | 0 | 0 | 112.2 | V296 G297 L303 A304 | V296-D300 PolarHBondContact O-N 3.27Å; G297-D300 PolarHBondContact O-N 2.91Å; D300-L303 WeakPolarHBondContact O-CB 3.38Å; D300-L303 PolarHBondContact O-N 3.44Å; D300-A304 WeakPolarHBondContact O-CB 3.33Å; D300-A304 PolarHBondContact O-N 2.86Å |
| 301 | S | 95.8 | Very high | 96.3 | Very high | 64 Ų | 64 | 93.8 Ų | 93.8 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 171.1 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | G297 A298 L303 A304 V305 | G297-S301 WeakPolarHBondContact O-CB 3.48Å; G297-S301 PolarHBondContact O-N 3.32Å; G297-S301 PolarHBondContact O-OG 3.29Å; A298-S301 WeakPolarHBondContact CA-OG 3.43Å; A298-S301 PolarHBondContact O-OG 2.89Å; A298-S301 VanDerWaalsContact O-OG 3.07Å; S301-L303 VanDerWaalsContact C-N 3.34Å; S301-L303 PolarHBondContact O-N 2.85Å; S301-A304 PolarHBondContact O-N 3.44Å; S301-V305 WeakPolarHBondContact O-CG2 3.26Å; S301-V305 PolarHBondContact O-N 3.26Å |
| 302 | Q | 97.1 | Very high | 96.2 | Very high | 99 Ų | 99 | 93.9 Ų | 93.9 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 169.7 | -77.3 | 167.5 | 23.5 | 0 | 0 | 111.7 | A298 K299 V305 L306 | A298-Q302 WeakPolarHBondContact O-CB 3.34Å; A298-Q302 WeakPolarHBondContact O-CG 3.31Å; A298-Q302 PolarHBondContact O-N 3.31Å; A298-Q302 VanDerWaalsContact O-N 3.13Å; K299-Q302 WeakPolarHBondContact O-CB 3.27Å; K299-Q302 PolarHBondContact O-N 3.01Å; Q302-V305 PolarHBondContact O-N 2.99Å; Q302-L306 WeakPolarHBondContact O-CB 3.2Å; Q302-L306 WeakPolarHBondContact O-CG 3.39Å; Q302-L306 PolarHBondContact O-N 2.81Å |
| 303 | L | 96.6 | Very high | 96.2 | Very high | 83 Ų | 83 | 90.5 Ų | 90.5 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 177.1 | -168.4 | 88.3 | 0 | 0 | 0 | 111.5 | K299 D300 S301 L306 K307 | K299-L303 WeakPolarHBondContact O-CB 3.44Å; K299-L303 PolarHBondContact O-N 3.36Å; D300-L303 WeakPolarHBondContact O-CB 3.38Å; D300-L303 PolarHBondContact O-N 3.44Å; S301-L303 VanDerWaalsContact C-N 3.34Å; S301-L303 PolarHBondContact O-N 2.85Å; L303-L306 PolarHBondContact O-N 3.3Å; L303-K307 HydrophobicContact CG-CD 4.47Å; L303-K307 WeakPolarHBondContact O-CB 3.46Å; L303-K307 VanDerWaalsContact O-CG 3.32Å; L303-K307 WeakPolarHBondContact O-CG 3.47Å; L303-K307 PolarHBondContact O-N 2.98Å |
| 304 | A | 96.5 | Very high | 96.3 | Very high | 51 Ų | 51 | 89.6 Ų | 89.6 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D300 S301 L306 K307 V308 | D300-A304 WeakPolarHBondContact O-CB 3.33Å; D300-A304 PolarHBondContact O-N 2.86Å; S301-A304 PolarHBondContact O-N 3.44Å; A304-L306 VanDerWaalsContact C-N 3.33Å; A304-L306 PolarHBondContact O-N 2.88Å; A304-K307 PolarHBondContact O-N 3.4Å; A304-V308 WeakPolarHBondContact O-CG2 3.38Å; A304-V308 PolarHBondContact O-N 3.42Å |
| 305 | V | 97.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 86.8 Ų | 86.8 | 42% | 0.424 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 176 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | S301 Q302 R309 | S301-V305 WeakPolarHBondContact O-CG2 3.26Å; S301-V305 PolarHBondContact O-N 3.26Å; Q302-V305 PolarHBondContact O-N 2.99Å; V305-R309 WeakPolarHBondContact O-CB 3.27Å; V305-R309 WeakPolarHBondContact O-CG 3.36Å; V305-R309 PolarHBondContact O-N 2.88Å |
| 306 | L | 96.2 | Very high | 96.4 | Very high | 108 Ų | 108 | 89.8 Ų | 89.8 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68 | -38.6 | 175.5 | -73.1 | 172.7 | 0 | 0 | 0 | 112.5 | Q302 L303 A304 R309 L310 | Q302-L306 WeakPolarHBondContact O-CB 3.2Å; Q302-L306 WeakPolarHBondContact O-CG 3.39Å; Q302-L306 PolarHBondContact O-N 2.81Å; L303-L306 PolarHBondContact O-N 3.3Å; A304-L306 VanDerWaalsContact C-N 3.33Å; A304-L306 PolarHBondContact O-N 2.88Å; L306-R309 PolarHBondContact O-N 3.25Å; L306-L310 WeakPolarHBondContact O-CB 3.29Å; L306-L310 PolarHBondContact O-N 3.25Å |
| 307 | K | 96.8 | Very high | 96.5 | Very high | 123 Ų | 123 | 91 Ų | 91 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 173.6 | -76.5 | 170.8 | 177.3 | 176.6 | 0 | 111.7 | L303 A304 L310 Q311 | L303-K307 HydrophobicContact CG-CD 4.47Å; L303-K307 WeakPolarHBondContact O-CB 3.46Å; L303-K307 VanDerWaalsContact O-CG 3.32Å; L303-K307 WeakPolarHBondContact O-CG 3.47Å; L303-K307 PolarHBondContact O-N 2.98Å; A304-K307 PolarHBondContact O-N 3.4Å; K307-L310 PolarHBondContact O-N 3.48Å; K307-Q311 WeakPolarHBondContact O-CG 3.16Å; K307-Q311 PolarHBondContact O-N 3.19Å |
| 308 | V | 97.5 | Very high | 96.6 | Very high | 72 Ų | 72 | 96 Ų | 96 | 44% | 0.436 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | A304 L310 Q311 E312 | A304-V308 WeakPolarHBondContact O-CG2 3.38Å; A304-V308 PolarHBondContact O-N 3.42Å; V308-L310 VanDerWaalsContact C-N 3.29Å; V308-L310 PolarHBondContact O-N 3.22Å; V308-Q311 PolarHBondContact O-N 2.69Å; V308-Q311 VanDerWaalsContact O-N 3.15Å; V308-E312 HydrophobicContact CG1-CG 4.31Å; V308-E312 WeakPolarHBondContact O-CG 3.24Å; V308-E312 PolarHBondContact O-N 2.93Å |
| 309 | R | 96.1 | Very high | 96.7 | Very high | 154 Ų | 154 | 96.9 Ų | 96.9 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.4 | -34.3 | 176.5 | -76.4 | -179.3 | 179.7 | 144.9 | 3.9 | 113.7 | V305 L306 A313 | V305-R309 WeakPolarHBondContact O-CB 3.27Å; V305-R309 WeakPolarHBondContact O-CG 3.36Å; V305-R309 PolarHBondContact O-N 2.88Å; L306-R309 PolarHBondContact O-N 3.25Å; R309-A313 VanDerWaalsContact O-CB 3.31Å; R309-A313 WeakPolarHBondContact O-CB 3.41Å; R309-A313 PolarHBondContact O-N 3.41Å |
| 310 | L | 96.5 | Very high | 96.8 | Very high | 108 Ų | 108 | 99.4 Ų | 99.4 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.3 | -44.7 | 174.4 | -176.5 | 63.7 | 0 | 0 | 0 | 110.8 | L306 K307 V308 E312 A313 D314 | L306-L310 WeakPolarHBondContact O-CB 3.29Å; L306-L310 PolarHBondContact O-N 3.25Å; K307-L310 PolarHBondContact O-N 3.48Å; V308-L310 VanDerWaalsContact C-N 3.29Å; V308-L310 PolarHBondContact O-N 3.22Å; L310-E312 PolarHBondContact O-N 3.39Å; L310-A313 PolarHBondContact O-N 3.23Å; L310-D314 WeakPolarHBondContact O-CB 3.44Å; L310-D314 PolarHBondContact O-N 3.14Å |
| 311 | Q | 97.3 | Very high | 96.9 | Very high | 132 Ų | 132 | 98.7 Ų | 98.7 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.7 | -39.8 | 174.7 | -72.4 | 176.5 | -39.1 | 0 | 0 | 112.6 | K307 V308 D314 Q315 | K307-Q311 WeakPolarHBondContact O-CG 3.16Å; K307-Q311 PolarHBondContact O-N 3.19Å; V308-Q311 PolarHBondContact O-N 2.69Å; V308-Q311 VanDerWaalsContact O-N 3.15Å; Q311-D314 PolarHBondContact O-N 2.96Å; Q311-Q315 VanDerWaalsContact O-CB 3.29Å; Q311-Q315 WeakPolarHBondContact O-CB 3.5Å; Q311-Q315 PolarHBondContact O-N 3.37Å |
| 312 | E | 96.1 | Very high | 96.9 | Very high | 111 Ų | 111 | 100.9 Ų | 100.9 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 172.2 | -72.7 | 171.1 | 170.2 | 0 | 0 | 111.2 | V308 L310 Q315 L316 | V308-E312 HydrophobicContact CG1-CG 4.31Å; V308-E312 WeakPolarHBondContact O-CG 3.24Å; V308-E312 PolarHBondContact O-N 2.93Å; L310-E312 PolarHBondContact O-N 3.39Å; E312-Q315 PolarHBondContact O-N 2.92Å; E312-L316 WeakPolarHBondContact O-CB 3.38Å; E312-L316 VanDerWaalsContact O-CG 3.25Å; E312-L316 WeakPolarHBondContact O-CG 3.23Å; E312-L316 PolarHBondContact O-N 3.18Å |
| 313 | A | 95.9 | Very high | 96.9 | Very high | 44 Ų | 44 | 98.5 Ų | 98.5 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R309 L310 L316 L317 | R309-A313 VanDerWaalsContact O-CB 3.31Å; R309-A313 WeakPolarHBondContact O-CB 3.41Å; R309-A313 PolarHBondContact O-N 3.41Å; L310-A313 PolarHBondContact O-N 3.23Å; A313-L316 PolarHBondContact O-N 3.37Å; A313-L317 WeakPolarHBondContact O-CB 3.42Å; A313-L317 WeakPolarHBondContact O-CG 3.48Å; A313-L317 PolarHBondContact O-N 2.78Å |
| 314 | D | 97.1 | Very high | 96.9 | Very high | 69 Ų | 69 | 100 Ų | 100 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 175.1 | -74.6 | -23.5 | 0 | 0 | 0 | 111.5 | L310 Q311 L317 R318 | L310-D314 WeakPolarHBondContact O-CB 3.44Å; L310-D314 PolarHBondContact O-N 3.14Å; Q311-D314 PolarHBondContact O-N 2.96Å; D314-L317 PolarHBondContact O-N 2.92Å; D314-R318 WeakPolarHBondContact O-CG 3.37Å; D314-R318 PolarHBondContact O-N 3.41Å |
| 315 | Q | 96.9 | Very high | 97 | Very high | 94 Ų | 94 | 104.5 Ų | 104.5 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70 | -37.1 | 175.9 | -169.7 | 60 | 27 | 0 | 0 | 112 | Q311 E312 L317 R318 T319 | Q311-Q315 VanDerWaalsContact O-CB 3.29Å; Q311-Q315 WeakPolarHBondContact O-CB 3.5Å; Q311-Q315 PolarHBondContact O-N 3.37Å; E312-Q315 PolarHBondContact O-N 2.92Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; Q315-R318 PolarHBondContact O-N 3.25Å; Q315-T319 WeakPolarHBondContact O-CB 3.35Å; Q315-T319 WeakPolarHBondContact O-CG2 3.5Å; Q315-T319 PolarHBondContact O-N 2.76Å; Q315-T319 PolarHBondContact O-OG1 3.49Å |
| 316 | L | 97.6 | Very high | 96.9 | Very high | 111 Ų | 111 | 103.7 Ų | 103.7 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.4 | -32.7 | 171.5 | -74.1 | 171.4 | 0 | 0 | 0 | 112.3 | E312 A313 T319 R320 | E312-L316 WeakPolarHBondContact O-CB 3.38Å; E312-L316 VanDerWaalsContact O-CG 3.25Å; E312-L316 WeakPolarHBondContact O-CG 3.23Å; E312-L316 PolarHBondContact O-N 3.18Å; A313-L316 PolarHBondContact O-N 3.37Å; L316-T319 WeakPolarHBondContact CA-OG1 3.35Å; L316-T319 PolarHBondContact O-OG1 2.98Å; L316-R320 WeakPolarHBondContact O-CB 3.39Å; L316-R320 VanDerWaalsContact O-CG 3.26Å; L316-R320 WeakPolarHBondContact O-CG 3.45Å; L316-R320 PolarHBondContact O-N 3.4Å |
| 317 | L | 97.1 | Very high | 96.9 | Very high | 110 Ų | 110 | 103.6 Ų | 103.6 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.6 | -48.1 | 171.6 | -78.4 | 168.4 | 0 | 0 | 0 | 111.1 | A313 D314 Q315 R320 T321 | A313-L317 WeakPolarHBondContact O-CB 3.42Å; A313-L317 WeakPolarHBondContact O-CG 3.48Å; A313-L317 PolarHBondContact O-N 2.78Å; D314-L317 PolarHBondContact O-N 2.92Å; Q315-L317 VanDerWaalsContact C-N 3.33Å; L317-R320 CarbonylContact O-C 3.59Å; L317-R320 PolarHBondContact O-N 3.26Å; L317-T321 PolarHBondContact O-N 2.88Å; L317-T321 PolarHBondContact O-OG1 3.31Å; L317-T321 VanDerWaalsContact O-OG1 3.09Å |
| 318 | R | 97.8 | Very high | 96.9 | Very high | 145 Ų | 145 | 104.6 Ų | 104.6 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.7 | -53 | 177.6 | -76.1 | 172.9 | -176.2 | 167.1 | 1.6 | 112.5 | D314 Q315 R320 T321 E322 | D314-R318 WeakPolarHBondContact O-CG 3.37Å; D314-R318 PolarHBondContact O-N 3.41Å; Q315-R318 PolarHBondContact O-N 3.25Å; R318-R320 VanDerWaalsContact C-N 3.26Å; R318-R320 PolarHBondContact O-N 2.86Å; R318-T321 WeakPolarHBondContact CA-OG1 3.38Å; R318-T321 PolarHBondContact O-N 3.43Å; R318-T321 PolarHBondContact O-OG1 2.89Å; R318-E322 WeakPolarHBondContact O-CB 3.48Å; R318-E322 VanDerWaalsContact O-CG 3.31Å; R318-E322 WeakPolarHBondContact O-CG 3.25Å; R318-E322 PolarHBondContact O-N 2.85Å |
| 319 | T | 97.2 | Very high | 96.9 | Very high | 59 Ų | 59 | 104.4 Ų | 104.4 | 36% | 0.362 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -32.9 | 177.8 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | Q315 L316 A323 | Q315-T319 WeakPolarHBondContact O-CB 3.35Å; Q315-T319 WeakPolarHBondContact O-CG2 3.5Å; Q315-T319 PolarHBondContact O-N 2.76Å; Q315-T319 PolarHBondContact O-OG1 3.49Å; L316-T319 WeakPolarHBondContact CA-OG1 3.35Å; L316-T319 PolarHBondContact O-OG1 2.98Å; T319-A323 VanDerWaalsContact O-CB 3.31Å; T319-A323 WeakPolarHBondContact O-CB 3.21Å; T319-A323 PolarHBondContact O-N 3.24Å |
| 320 | R | 97.3 | Very high | 96.9 | Very high | 183 Ų | 183 | 102 Ų | 102 | 69% | 0.691 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.3 | -37.7 | 171.2 | -79.2 | -177.3 | 175.8 | -160.6 | 0.5 | 113.4 | L316 L317 R318 L324 | L316-R320 WeakPolarHBondContact O-CB 3.39Å; L316-R320 VanDerWaalsContact O-CG 3.26Å; L316-R320 WeakPolarHBondContact O-CG 3.45Å; L316-R320 PolarHBondContact O-N 3.4Å; L317-R320 CarbonylContact O-C 3.59Å; L317-R320 PolarHBondContact O-N 3.26Å; R318-R320 VanDerWaalsContact C-N 3.26Å; R318-R320 PolarHBondContact O-N 2.86Å; R320-L324 WeakPolarHBondContact O-CB 3.43Å; R320-L324 VanDerWaalsContact O-CG 3.3Å; R320-L324 WeakPolarHBondContact O-CG 3.35Å; R320-L324 PolarHBondContact O-N 3.5Å |
| 321 | T | 97.4 | Very high | 96.9 | Very high | 83 Ų | 83 | 103.6 Ų | 103.6 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 174.6 | 41.9 | 0 | 0 | 0 | 0 | 111.8 | L317 R318 A323 L324 E325 | L317-T321 PolarHBondContact O-N 2.88Å; L317-T321 PolarHBondContact O-OG1 3.31Å; L317-T321 VanDerWaalsContact O-OG1 3.09Å; R318-T321 WeakPolarHBondContact CA-OG1 3.38Å; R318-T321 PolarHBondContact O-N 3.43Å; R318-T321 PolarHBondContact O-OG1 2.89Å; T321-A323 PolarHBondContact O-N 2.91Å; T321-L324 PolarHBondContact O-N 2.99Å; T321-E325 WeakPolarHBondContact O-CB 3.29Å; T321-E325 PolarHBondContact O-N 3.01Å |
| 322 | E | 97.5 | Very high | 96.9 | Very high | 109 Ų | 109 | 100.7 Ų | 100.7 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 173.3 | -70.9 | 160.2 | -164.7 | 0 | 0 | 111 | R318 E325 A326 | R318-E322 WeakPolarHBondContact O-CB 3.48Å; R318-E322 VanDerWaalsContact O-CG 3.31Å; R318-E322 WeakPolarHBondContact O-CG 3.25Å; R318-E322 PolarHBondContact O-N 2.85Å; E322-E325 PolarHBondContact O-N 2.86Å; E322-A326 WeakPolarHBondContact O-CB 3.44Å; E322-A326 PolarHBondContact O-N 2.98Å |
| 323 | A | 97.1 | Very high | 96.9 | Very high | 49 Ų | 49 | 103.1 Ų | 103.1 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T319 T321 L327 | T319-A323 VanDerWaalsContact O-CB 3.31Å; T319-A323 WeakPolarHBondContact O-CB 3.21Å; T319-A323 PolarHBondContact O-N 3.24Å; T321-A323 PolarHBondContact O-N 2.91Å; A323-L327 WeakPolarHBondContact O-CB 3.47Å; A323-L327 VanDerWaalsContact O-CG 3.27Å; A323-L327 WeakPolarHBondContact O-CG 3.4Å; A323-L327 PolarHBondContact O-N 2.86Å |
| 324 | L | 96.5 | Very high | 96.9 | Very high | 115 Ų | 115 | 105.6 Ų | 105.6 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.2 | -40.2 | 174.9 | -77.6 | 170.5 | 0 | 0 | 0 | 112.1 | R320 T321 L327 Q328 | R320-L324 WeakPolarHBondContact O-CB 3.43Å; R320-L324 VanDerWaalsContact O-CG 3.3Å; R320-L324 WeakPolarHBondContact O-CG 3.35Å; R320-L324 PolarHBondContact O-N 3.5Å; T321-L324 PolarHBondContact O-N 2.99Å; L324-L327 PolarHBondContact O-N 3.43Å; L324-Q328 VanDerWaalsContact O-CB 3.27Å; L324-Q328 WeakPolarHBondContact O-CB 3.22Å; L324-Q328 PolarHBondContact O-N 3.41Å |
| 325 | E | 97.3 | Very high | 96.8 | Very high | 145 Ų | 145 | 107.2 Ų | 107.2 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 175.8 | -174.4 | 169.4 | -164.1 | 0 | 0 | 111.1 | T321 E322 Q328 S329 | T321-E325 WeakPolarHBondContact O-CB 3.29Å; T321-E325 PolarHBondContact O-N 3.01Å; E322-E325 PolarHBondContact O-N 2.86Å; E325-Q328 PolarHBondContact O-N 3.43Å; E325-S329 WeakPolarHBondContact O-CB 3.48Å; E325-S329 PolarHBondContact O-N 2.97Å |
| 326 | A | 96.6 | Very high | 96.8 | Very high | 53 Ų | 53 | 107.8 Ų | 107.8 | 44% | 0.438 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.3 | -51.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E322 Q328 S329 E330 | E322-A326 WeakPolarHBondContact O-CB 3.44Å; E322-A326 PolarHBondContact O-N 2.98Å; A326-Q328 VanDerWaalsContact C-N 3.31Å; A326-Q328 PolarHBondContact O-N 3.39Å; A326-S329 PolarHBondContact O-N 3.32Å; A326-S329 PolarHBondContact O-OG 2.8Å; A326-E330 PolarHBondContact O-N 3.38Å |
| 327 | L | 96.2 | Very high | 96.7 | Very high | 106 Ų | 106 | 106.1 Ų | 106.1 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.6 | -34.6 | 176.8 | -74 | 169.8 | 0 | 0 | 0 | 113 | A323 L324 K331 | A323-L327 WeakPolarHBondContact O-CB 3.47Å; A323-L327 VanDerWaalsContact O-CG 3.27Å; A323-L327 WeakPolarHBondContact O-CG 3.4Å; A323-L327 PolarHBondContact O-N 2.86Å; L324-L327 PolarHBondContact O-N 3.43Å; L327-K331 VanDerWaalsContact O-CB 3.24Å; L327-K331 WeakPolarHBondContact O-CB 3.47Å; L327-K331 PolarHBondContact O-N 3.18Å |
| 328 | Q | 96.9 | Very high | 96.5 | Very high | 145 Ų | 145 | 107.6 Ų | 107.6 | 68% | 0.678 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.6 | -39.7 | 175.3 | -177.7 | 169.2 | -36.4 | 0 | 0 | 111.5 | L324 E325 A326 S332 | L324-Q328 VanDerWaalsContact O-CB 3.27Å; L324-Q328 WeakPolarHBondContact O-CB 3.22Å; L324-Q328 PolarHBondContact O-N 3.41Å; E325-Q328 PolarHBondContact O-N 3.43Å; A326-Q328 VanDerWaalsContact C-N 3.31Å; A326-Q328 PolarHBondContact O-N 3.39Å; Q328-S332 WeakPolarHBondContact O-CB 3.42Å; Q328-S332 PolarHBondContact O-N 2.98Å |
| 329 | S | 96.6 | Very high | 96.4 | Very high | 68 Ų | 68 | 103.8 Ų | 103.8 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 174.3 | 80.5 | 0 | 0 | 0 | 0 | 111.2 | E325 A326 K331 S332 R333 | E325-S329 WeakPolarHBondContact O-CB 3.48Å; E325-S329 PolarHBondContact O-N 2.97Å; A326-S329 PolarHBondContact O-N 3.32Å; A326-S329 PolarHBondContact O-OG 2.8Å; S329-K331 PolarHBondContact O-N 3.47Å; S329-S332 PolarHBondContact O-N 3.13Å; S329-S332 VanDerWaalsContact O-N 3.14Å; S329-S332 PolarHBondContact O-OG 2.94Å; S329-R333 PolarHBondContact O-N 3.48Å |
| 330 | E | 95.8 | Very high | 96.3 | Very high | 104 Ų | 104 | 105.3 Ų | 105.3 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 177 | -174.1 | 178.9 | -164.8 | 0 | 0 | 111.3 | A326 S332 R333 I334 | A326-E330 PolarHBondContact O-N 3.38Å; E330-S332 VanDerWaalsContact C-N 3.32Å; E330-S332 PolarHBondContact O-N 3.16Å; E330-R333 PolarHBondContact O-N 2.81Å; E330-I334 HydrophobicContact CG-CD1 3.92Å; E330-I334 HydrophobicContact CG-CG1 4.49Å; E330-I334 WeakPolarHBondContact O-CG1 3.28Å; E330-I334 PolarHBondContact O-N 3.15Å |
| 331 | K | 96.9 | Very high | 96.2 | Very high | 141 Ų | 141 | 98.4 Ų | 98.4 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.6 | -43.5 | 172.7 | 178.8 | -178.4 | 176.2 | -175.9 | 0 | 112 | L327 S329 I334 I335 | L327-K331 VanDerWaalsContact O-CB 3.24Å; L327-K331 WeakPolarHBondContact O-CB 3.47Å; L327-K331 PolarHBondContact O-N 3.18Å; S329-K331 PolarHBondContact O-N 3.47Å; K331-I334 PolarHBondContact O-N 3.01Å; K331-I335 HydrophobicContact CG-CD1 3.95Å; K331-I335 VanDerWaalsContact O-CG1 3.28Å; K331-I335 WeakPolarHBondContact O-CG1 3.4Å; K331-I335 PolarHBondContact O-N 2.78Å |
| 332 | S | 96.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 96.5 Ų | 96.5 | 49% | 0.49 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 179.2 | 74.6 | 0 | 0 | 0 | 0 | 111.7 | Q328 S329 E330 I335 Q336 | Q328-S332 WeakPolarHBondContact O-CB 3.42Å; Q328-S332 PolarHBondContact O-N 2.98Å; S329-S332 PolarHBondContact O-N 3.13Å; S329-S332 VanDerWaalsContact O-N 3.14Å; S329-S332 PolarHBondContact O-OG 2.94Å; E330-S332 VanDerWaalsContact C-N 3.32Å; E330-S332 PolarHBondContact O-N 3.16Å; S332-I335 PolarHBondContact O-N 2.77Å; S332-Q336 PolarHBondContact O-N 3.43Å |
| 333 | R | 97.1 | Very high | 96 | Very high | 163 Ų | 163 | 94.6 Ų | 94.6 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -48.1 | 173.5 | 176.1 | -177.3 | 155.9 | -159.4 | -7.2 | 111.8 | S329 E330 I335 Q336 D337 | S329-R333 PolarHBondContact O-N 3.48Å; E330-R333 PolarHBondContact O-N 2.81Å; R333-I335 VanDerWaalsContact C-N 3.27Å; R333-I335 PolarHBondContact O-N 3.29Å; R333-Q336 CarbonylContact O-C 3.59Å; R333-Q336 PolarHBondContact O-N 2.94Å; R333-Q336 VanDerWaalsContact O-N 3.09Å; R333-D337 IonicContact NE-OD2 3.87Å; R333-D337 PolarHBondContact NE-OD2 3.23Å; R333-D337 WeakPolarHBondContact O-CB 3.32Å; R333-D337 VanDerWaalsContact O-CG 3.24Å; R333-D337 PolarHBondContact O-N 3.02Å |
| 334 | I | 96.1 | Very high | 95.9 | Very high | 95 Ų | 95 | 97.4 Ų | 97.4 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 177.9 | -69.4 | 166.8 | 0 | 0 | 0 | 111.2 | E330 K331 H338 | E330-I334 HydrophobicContact CG-CD1 3.92Å; E330-I334 HydrophobicContact CG-CG1 4.49Å; E330-I334 WeakPolarHBondContact O-CG1 3.28Å; E330-I334 PolarHBondContact O-N 3.15Å; K331-I334 PolarHBondContact O-N 3.01Å; I334-H338 WeakPolarHBondContact O-CB 3.22Å; I334-H338 PolarHBondContact O-N 3.41Å |
| 335 | I | 95.6 | Very high | 95.8 | Very high | 104 Ų | 104 | 97.8 Ų | 97.8 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 175.4 | -69.3 | 167.1 | 0 | 0 | 0 | 110.9 | K331 S332 R333 S339 | K331-I335 HydrophobicContact CG-CD1 3.95Å; K331-I335 VanDerWaalsContact O-CG1 3.28Å; K331-I335 WeakPolarHBondContact O-CG1 3.4Å; K331-I335 PolarHBondContact O-N 2.78Å; S332-I335 PolarHBondContact O-N 2.77Å; R333-I335 VanDerWaalsContact C-N 3.27Å; R333-I335 PolarHBondContact O-N 3.29Å; I335-S339 WeakPolarHBondContact O-CB 3.47Å; I335-S339 PolarHBondContact O-N 2.78Å |
| 336 | Q | 95.7 | Very high | 95.8 | Very high | 105 Ų | 105 | 95.3 Ų | 95.3 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -54.3 | 175.5 | -179 | 173.2 | -11.7 | 0 | 0 | 111.3 | S332 R333 H338 S339 E340 | S332-Q336 PolarHBondContact O-N 3.43Å; R333-Q336 CarbonylContact O-C 3.59Å; R333-Q336 PolarHBondContact O-N 2.94Å; R333-Q336 VanDerWaalsContact O-N 3.09Å; Q336-H338 PolarHBondContact O-N 3.23Å; Q336-S339 CarbonylContact O-C 3.58Å; Q336-S339 WeakPolarHBondContact O-CA 3.25Å; Q336-S339 WeakPolarHBondContact O-CB 3.42Å; Q336-S339 PolarHBondContact O-N 3.43Å; Q336-S339 PolarHBondContact O-OG 3.08Å; Q336-E340 HydrophobicContact CG-CG 4.39Å; Q336-E340 VanDerWaalsContact CG-OE1 3.29Å; Q336-E340 WeakPolarHBondContact CG-OE1 3.33Å; Q336-E340 PolarHBondContact NE2-OE1 3.4Å; Q336-E340 PolarHBondContact O-N 2.98Å |
| 337 | D | 95.1 | Very high | 95.8 | Very high | 77 Ų | 77 | 98.4 Ų | 98.4 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54.1 | -40.4 | 177.4 | -66.9 | -7.5 | 0 | 0 | 0 | 110.9 | R333 G341 | R333-D337 IonicContact NE-OD2 3.87Å; R333-D337 PolarHBondContact NE-OD2 3.23Å; R333-D337 WeakPolarHBondContact O-CB 3.32Å; R333-D337 VanDerWaalsContact O-CG 3.24Å; R333-D337 PolarHBondContact O-N 3.02Å; D337-G341 PolarHBondContact O-N 3.48Å |
| 338 | H | 94.6 | Very high | 95.8 | Very high | 141 Ų | 141 | 95.6 Ų | 95.6 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.8 | -35.2 | 174.8 | -169 | -45 | 0 | 0 | 0 | 112.6 | I334 Q336 S342 | I334-H338 WeakPolarHBondContact O-CB 3.22Å; I334-H338 PolarHBondContact O-N 3.41Å; Q336-H338 PolarHBondContact O-N 3.23Å; H338-S342 WeakPolarHBondContact O-CB 3.29Å; H338-S342 PolarHBondContact O-N 2.72Å |
| 339 | S | 95.3 | Very high | 95.7 | Very high | 65 Ų | 65 | 92.7 Ų | 92.7 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 176.3 | 76.5 | 0 | 0 | 0 | 0 | 112 | I335 Q336 S342 S343 | I335-S339 WeakPolarHBondContact O-CB 3.47Å; I335-S339 PolarHBondContact O-N 2.78Å; Q336-S339 CarbonylContact O-C 3.58Å; Q336-S339 WeakPolarHBondContact O-CA 3.25Å; Q336-S339 WeakPolarHBondContact O-CB 3.42Å; Q336-S339 PolarHBondContact O-N 3.43Å; Q336-S339 PolarHBondContact O-OG 3.08Å; S339-S342 PolarHBondContact O-N 2.9Å; S339-S343 WeakPolarHBondContact O-CB 3.42Å; S339-S343 PolarHBondContact O-N 3.32Å |
| 340 | E | 95 | Very high | 95.8 | Very high | 91 Ų | 91 | 95.7 Ų | 95.7 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.1 | -45.5 | 174.6 | -68.4 | -179.1 | -163.1 | 0 | 0 | 110.9 | Q336 S342 S343 L344 | Q336-E340 HydrophobicContact CG-CG 4.39Å; Q336-E340 VanDerWaalsContact CG-OE1 3.29Å; Q336-E340 WeakPolarHBondContact CG-OE1 3.33Å; Q336-E340 PolarHBondContact NE2-OE1 3.4Å; Q336-E340 PolarHBondContact O-N 2.98Å; E340-S342 VanDerWaalsContact C-N 3.31Å; E340-S342 PolarHBondContact O-N 3.24Å; E340-S343 PolarHBondContact O-N 3.44Å; E340-S343 PolarHBondContact O-OG 2.84Å; E340-L344 WeakPolarHBondContact O-CB 3.13Å; E340-L344 VanDerWaalsContact O-CG 3.3Å; E340-L344 WeakPolarHBondContact O-CG 3.37Å; E340-L344 PolarHBondContact O-N 2.78Å |
| 341 | G | 94.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 93.9 Ų | 93.9 | 39% | 0.392 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -40.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D337 Q345 | D337-G341 PolarHBondContact O-N 3.48Å; G341-Q345 VanDerWaalsContact O-CB 3.28Å; G341-Q345 WeakPolarHBondContact O-CB 3.33Å; G341-Q345 PolarHBondContact O-N 2.85Å |
| 342 | S | 94.7 | Very high | 95.7 | Very high | 43 Ų | 43 | 92.5 Ų | 92.5 | 30% | 0.301 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 175.7 | -171.3 | 0 | 0 | 0 | 0 | 112.5 | H338 S339 E340 Q345 N346 | H338-S342 WeakPolarHBondContact O-CB 3.29Å; H338-S342 PolarHBondContact O-N 2.72Å; S339-S342 PolarHBondContact O-N 2.9Å; E340-S342 VanDerWaalsContact C-N 3.31Å; E340-S342 PolarHBondContact O-N 3.24Å; S342-Q345 PolarHBondContact O-N 3.09Å; S342-N346 WeakPolarHBondContact O-CB 3.4Å; S342-N346 PolarHBondContact O-N 2.91Å; S342-N346 PolarHBondContact O-ND2 2.95Å; S342-N346 PolarHBondContact OG-ND2 3.02Å |
| 343 | S | 95.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 95.7 Ų | 95.7 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 176.8 | 74.8 | 0 | 0 | 0 | 0 | 111.5 | S339 E340 N346 Q347 | S339-S343 WeakPolarHBondContact O-CB 3.42Å; S339-S343 PolarHBondContact O-N 3.32Å; E340-S343 PolarHBondContact O-N 3.44Å; E340-S343 PolarHBondContact O-OG 2.84Å; S343-N346 PolarHBondContact O-N 3.42Å; S343-Q347 WeakPolarHBondContact O-CB 3.45Å; S343-Q347 PolarHBondContact O-N 2.77Å |
| 344 | L | 95 | Very high | 95.7 | Very high | 108 Ų | 108 | 93.6 Ų | 93.6 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 173 | -70.3 | 170.5 | 0 | 0 | 0 | 111.9 | E340 Q347 A348 | E340-L344 WeakPolarHBondContact O-CB 3.13Å; E340-L344 VanDerWaalsContact O-CG 3.3Å; E340-L344 WeakPolarHBondContact O-CG 3.37Å; E340-L344 PolarHBondContact O-N 2.78Å; L344-Q347 PolarHBondContact O-N 3.36Å; L344-A348 WeakPolarHBondContact O-CB 3.1Å; L344-A348 PolarHBondContact O-N 3.48Å |
| 345 | Q | 95.3 | Very high | 95.7 | Very high | 124 Ų | 124 | 98.1 Ų | 98.1 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 174.9 | -174.8 | 179.2 | 4.3 | 0 | 0 | 111.7 | G341 S342 A348 L349 | G341-Q345 VanDerWaalsContact O-CB 3.28Å; G341-Q345 WeakPolarHBondContact O-CB 3.33Å; G341-Q345 PolarHBondContact O-N 2.85Å; S342-Q345 PolarHBondContact O-N 3.09Å; Q345-A348 PolarHBondContact O-N 3.32Å; Q345-L349 HydrophobicContact CG-CD1 4.29Å; Q345-L349 WeakPolarHBondContact O-CB 3.42Å; Q345-L349 VanDerWaalsContact O-CG 3.3Å; Q345-L349 WeakPolarHBondContact O-CG 3.3Å; Q345-L349 PolarHBondContact O-N 2.93Å |
| 346 | N | 96.4 | Very high | 95.7 | Very high | 93 Ų | 93 | 98.4 Ų | 98.4 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 175.5 | -80.7 | -61 | 0 | 0 | 0 | 111.7 | S342 S343 L349 Q350 | S342-N346 WeakPolarHBondContact O-CB 3.4Å; S342-N346 PolarHBondContact O-N 2.91Å; S342-N346 PolarHBondContact O-ND2 2.95Å; S342-N346 PolarHBondContact OG-ND2 3.02Å; S343-N346 PolarHBondContact O-N 3.42Å; N346-L349 PolarHBondContact O-N 2.87Å; N346-Q350 WeakPolarHBondContact O-CB 3.06Å; N346-Q350 PolarHBondContact O-N 2.89Å |
| 347 | Q | 97 | Very high | 95.8 | Very high | 118 Ų | 118 | 102.6 Ų | 102.6 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -42.5 | 174.8 | -170.6 | -178.9 | 16 | 0 | 0 | 111.7 | S343 L344 Q350 T351 | S343-Q347 WeakPolarHBondContact O-CB 3.45Å; S343-Q347 PolarHBondContact O-N 2.77Å; L344-Q347 PolarHBondContact O-N 3.36Å; Q347-Q350 PolarHBondContact O-N 3.45Å; Q347-T351 WeakPolarHBondContact O-CG2 3.31Å; Q347-T351 PolarHBondContact O-N 3.08Å; Q347-T351 PolarHBondContact O-OG1 3.24Å |
| 348 | A | 95.8 | Very high | 95.9 | Very high | 47 Ų | 47 | 103.3 Ų | 103.3 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L344 Q345 T351 L352 | L344-A348 WeakPolarHBondContact O-CB 3.1Å; L344-A348 PolarHBondContact O-N 3.48Å; Q345-A348 PolarHBondContact O-N 3.32Å; A348-T351 PolarHBondContact O-N 3.48Å; A348-T351 PolarHBondContact O-OG1 2.76Å; A348-L352 WeakPolarHBondContact O-CB 3.1Å; A348-L352 VanDerWaalsContact O-CG 3.32Å; A348-L352 WeakPolarHBondContact O-CG 3.29Å; A348-L352 PolarHBondContact O-N 3.43Å |
| 349 | L | 96.2 | Very high | 95.9 | Very high | 84 Ų | 84 | 99 Ų | 99 | 44% | 0.44 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 174.1 | -73.2 | 171.3 | 0 | 0 | 0 | 112.1 | Q345 N346 L352 Q353 | Q345-L349 HydrophobicContact CG-CD1 4.29Å; Q345-L349 WeakPolarHBondContact O-CB 3.42Å; Q345-L349 VanDerWaalsContact O-CG 3.3Å; Q345-L349 WeakPolarHBondContact O-CG 3.3Å; Q345-L349 PolarHBondContact O-N 2.93Å; N346-L349 PolarHBondContact O-N 2.87Å; L349-L352 PolarHBondContact O-N 3.43Å; L349-Q353 WeakPolarHBondContact O-CB 3.39Å; L349-Q353 WeakPolarHBondContact O-CG 3.41Å; L349-Q353 PolarHBondContact O-N 2.88Å |
| 350 | Q | 96.8 | Very high | 95.9 | Very high | 131 Ų | 131 | 99.8 Ų | 99.8 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.7 | -43.9 | 178.3 | -170.7 | 173.3 | 5.1 | 0 | 0 | 111.8 | N346 Q347 L352 Q353 E354 | N346-Q350 WeakPolarHBondContact O-CB 3.06Å; N346-Q350 PolarHBondContact O-N 2.89Å; Q347-Q350 PolarHBondContact O-N 3.45Å; Q350-L352 VanDerWaalsContact C-N 3.32Å; Q350-L352 PolarHBondContact O-N 3.32Å; Q350-Q353 PolarHBondContact O-N 2.92Å; Q350-E354 WeakPolarHBondContact O-CB 3.14Å; Q350-E354 PolarHBondContact O-N 3.21Å |
| 351 | T | 96.8 | Very high | 95.9 | Very high | 65 Ų | 65 | 97.1 Ų | 97.1 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.6 | -31.7 | 175.2 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | Q347 A348 R355 | Q347-T351 WeakPolarHBondContact O-CG2 3.31Å; Q347-T351 PolarHBondContact O-N 3.08Å; Q347-T351 PolarHBondContact O-OG1 3.24Å; A348-T351 PolarHBondContact O-N 3.48Å; A348-T351 PolarHBondContact O-OG1 2.76Å; T351-R355 WeakPolarHBondContact O-CB 3.44Å; T351-R355 WeakPolarHBondContact O-CG 3.4Å; T351-R355 PolarHBondContact O-N 2.89Å |
| 352 | L | 94.8 | Very high | 96 | Very high | 113 Ų | 113 | 98.8 Ų | 98.8 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.4 | -40.5 | 171 | -74.9 | 170.4 | 0 | 0 | 0 | 112.1 | A348 L349 Q350 L356 | A348-L352 WeakPolarHBondContact O-CB 3.1Å; A348-L352 VanDerWaalsContact O-CG 3.32Å; A348-L352 WeakPolarHBondContact O-CG 3.29Å; A348-L352 PolarHBondContact O-N 3.43Å; L349-L352 PolarHBondContact O-N 3.43Å; Q350-L352 VanDerWaalsContact C-N 3.32Å; Q350-L352 PolarHBondContact O-N 3.32Å; L352-L356 VanDerWaalsContact O-CB 3.32Å; L352-L356 WeakPolarHBondContact O-CB 3.45Å; L352-L356 PolarHBondContact O-N 3.28Å |
| 353 | Q | 97 | Very high | 96 | Very high | 136 Ų | 136 | 101.7 Ų | 101.7 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -40.5 | 173.9 | -76.6 | 177.5 | -12.5 | 0 | 0 | 112.1 | L349 Q350 L356 R357 | L349-Q353 WeakPolarHBondContact O-CB 3.39Å; L349-Q353 WeakPolarHBondContact O-CG 3.41Å; L349-Q353 PolarHBondContact O-N 2.88Å; Q350-Q353 PolarHBondContact O-N 2.92Å; Q353-L356 PolarHBondContact O-N 2.98Å; Q353-R357 WeakPolarHBondContact O-CB 3.39Å; Q353-R357 PolarHBondContact O-N 3.42Å |
| 354 | E | 96.8 | Very high | 96 | Very high | 119 Ų | 119 | 104.5 Ų | 104.5 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -49.5 | 175.4 | -173.9 | 169.8 | -145.9 | 0 | 0 | 111 | Q350 L356 R357 D358 | Q350-E354 WeakPolarHBondContact O-CB 3.14Å; Q350-E354 PolarHBondContact O-N 3.21Å; E354-L356 VanDerWaalsContact C-N 3.31Å; E354-L356 PolarHBondContact O-N 2.84Å; E354-R357 WeakPolarHBondContact O-CB 3.44Å; E354-R357 PolarHBondContact O-N 3.42Å; E354-R357 VanDerWaalsContact O-N 3.13Å; E354-D358 PolarHBondContact O-N 2.81Å |
| 355 | R | 96.3 | Very high | 96.1 | Very high | 190 Ų | 190 | 106.5 Ų | 106.5 | 72% | 0.717 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -36.3 | 175.3 | -76.1 | -174.5 | 178.5 | -162.5 | 1.7 | 113.6 | T351 A359 | T351-R355 WeakPolarHBondContact O-CB 3.44Å; T351-R355 WeakPolarHBondContact O-CG 3.4Å; T351-R355 PolarHBondContact O-N 2.89Å; R355-A359 VanDerWaalsContact O-CB 3.29Å; R355-A359 WeakPolarHBondContact O-CB 3.4Å; R355-A359 PolarHBondContact O-N 3.01Å |
| 356 | L | 96 | Very high | 96 | Very high | 110 Ų | 110 | 105.2 Ų | 105.2 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -45.8 | 174 | -178.2 | 65.8 | 0 | 0 | 0 | 110.7 | L352 Q353 E354 D358 A359 D360 | L352-L356 VanDerWaalsContact O-CB 3.32Å; L352-L356 WeakPolarHBondContact O-CB 3.45Å; L352-L356 PolarHBondContact O-N 3.28Å; Q353-L356 PolarHBondContact O-N 2.98Å; E354-L356 VanDerWaalsContact C-N 3.31Å; E354-L356 PolarHBondContact O-N 2.84Å; L356-D358 VanDerWaalsContact C-N 3.34Å; L356-D358 PolarHBondContact O-N 3.43Å; L356-A359 PolarHBondContact O-N 3.12Å; L356-D360 WeakPolarHBondContact O-CB 3.18Å; L356-D360 PolarHBondContact O-N 3.46Å |
| 357 | R | 97.5 | Very high | 96 | Very high | 194 Ų | 194 | 107.1 Ų | 107.1 | 73% | 0.732 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -39.4 | 177.5 | -173.7 | -177.3 | -178.3 | 92 | -1.1 | 112.3 | Q353 E354 S361 | Q353-R357 WeakPolarHBondContact O-CB 3.39Å; Q353-R357 PolarHBondContact O-N 3.42Å; E354-R357 WeakPolarHBondContact O-CB 3.44Å; E354-R357 PolarHBondContact O-N 3.42Å; E354-R357 VanDerWaalsContact O-N 3.13Å; R357-S361 WeakPolarHBondContact O-CB 3.41Å; R357-S361 PolarHBondContact O-N 3.35Å |
| 358 | D | 96.8 | Very high | 96 | Very high | 91 Ų | 91 | 107.7 Ų | 107.7 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 174.9 | -80.2 | -12.5 | 0 | 0 | 0 | 111 | E354 L356 D360 S361 T362 | E354-D358 PolarHBondContact O-N 2.81Å; L356-D358 VanDerWaalsContact C-N 3.34Å; L356-D358 PolarHBondContact O-N 3.43Å; D358-D360 PolarHBondContact O-N 3.17Å; D358-S361 CarbonylContact O-C 3.6Å; D358-S361 WeakPolarHBondContact O-CA 3.3Å; D358-S361 WeakPolarHBondContact O-CB 3.28Å; D358-S361 PolarHBondContact O-N 2.89Å; D358-S361 PolarHBondContact O-OG 3.37Å; D358-T362 PolarHBondContact O-N 3.45Å; D358-T362 PolarHBondContact O-OG1 3.46Å |
| 359 | A | 93.6 | Very high | 95.9 | Very high | 50 Ų | 50 | 108.1 Ų | 108.1 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R355 L356 S361 T362 L363 | R355-A359 VanDerWaalsContact O-CB 3.29Å; R355-A359 WeakPolarHBondContact O-CB 3.4Å; R355-A359 PolarHBondContact O-N 3.01Å; L356-A359 PolarHBondContact O-N 3.12Å; A359-S361 VanDerWaalsContact C-N 3.26Å; A359-S361 PolarHBondContact O-N 3.49Å; A359-T362 WeakPolarHBondContact CA-OG1 3.28Å; A359-T362 PolarHBondContact O-N 3.28Å; A359-T362 PolarHBondContact O-OG1 3.25Å; A359-L363 WeakPolarHBondContact O-CB 3.48Å; A359-L363 PolarHBondContact O-N 2.84Å |
| 360 | D | 95.5 | Very high | 95.8 | Very high | 82 Ų | 82 | 111.6 Ų | 111.6 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 171.5 | -81 | -17.2 | 0 | 0 | 0 | 111.4 | L356 D358 K364 | L356-D360 WeakPolarHBondContact O-CB 3.18Å; L356-D360 PolarHBondContact O-N 3.46Å; D358-D360 PolarHBondContact O-N 3.17Å; D360-K364 WeakPolarHBondContact O-CB 3.49Å; D360-K364 WeakPolarHBondContact O-CG 3.21Å; D360-K364 PolarHBondContact O-N 2.92Å |
| 361 | S | 95.7 | Very high | 95.8 | Very high | 35 Ų | 35 | 111.8 Ų | 111.8 | 25% | 0.245 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -73.2 | -33.6 | 178.7 | 89.4 | 0 | 0 | 0 | 0 | 112.7 | R357 D358 A359 R365 | R357-S361 WeakPolarHBondContact O-CB 3.41Å; R357-S361 PolarHBondContact O-N 3.35Å; D358-S361 CarbonylContact O-C 3.6Å; D358-S361 WeakPolarHBondContact O-CA 3.3Å; D358-S361 WeakPolarHBondContact O-CB 3.28Å; D358-S361 PolarHBondContact O-N 2.89Å; D358-S361 PolarHBondContact O-OG 3.37Å; A359-S361 VanDerWaalsContact C-N 3.26Å; A359-S361 PolarHBondContact O-N 3.49Å; S361-R365 VanDerWaalsContact CB-NH1 3.31Å; S361-R365 WeakPolarHBondContact O-CG 3.42Å; S361-R365 PolarHBondContact O-N 3.02Å; S361-R365 PolarHBondContact O-NH1 3.41Å; S361-R365 PolarHBondContact OG-NH1 3.46Å |
| 362 | T | 96.1 | Very high | 95.8 | Very high | 73 Ų | 73 | 115.4 Ų | 115.4 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.8 | -44 | 173.4 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | D358 A359 K364 R365 E366 | D358-T362 PolarHBondContact O-N 3.45Å; D358-T362 PolarHBondContact O-OG1 3.46Å; A359-T362 WeakPolarHBondContact CA-OG1 3.28Å; A359-T362 PolarHBondContact O-N 3.28Å; A359-T362 PolarHBondContact O-OG1 3.25Å; T362-K364 VanDerWaalsContact C-N 3.31Å; T362-K364 PolarHBondContact O-N 3.4Å; T362-R365 PolarHBondContact O-N 3.39Å; T362-R365 VanDerWaalsContact O-N 3.13Å; T362-E366 WeakPolarHBondContact O-CG 3.47Å; T362-E366 PolarHBondContact O-N 2.94Å |
| 363 | L | 95.3 | Very high | 95.8 | Very high | 105 Ų | 105 | 114.9 Ų | 114.9 | 55% | 0.55 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 176.5 | -178.5 | 64 | 0 | 0 | 0 | 111.8 | A359 E366 Q367 | A359-L363 WeakPolarHBondContact O-CB 3.48Å; A359-L363 PolarHBondContact O-N 2.84Å; L363-E366 PolarHBondContact O-N 3.29Å; L363-Q367 WeakPolarHBondContact O-CB 3.39Å; L363-Q367 PolarHBondContact O-N 2.87Å |
| 364 | K | 96.5 | Very high | 95.6 | Very high | 127 Ų | 127 | 114.7 Ų | 114.7 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 174.2 | -78.8 | 174.2 | 179.8 | 173.8 | 0 | 112.8 | D360 T362 E366 Q367 E368 | D360-K364 WeakPolarHBondContact O-CB 3.49Å; D360-K364 WeakPolarHBondContact O-CG 3.21Å; D360-K364 PolarHBondContact O-N 2.92Å; T362-K364 VanDerWaalsContact C-N 3.31Å; T362-K364 PolarHBondContact O-N 3.4Å; K364-E366 VanDerWaalsContact C-N 3.35Å; K364-E366 PolarHBondContact O-N 3.28Å; K364-Q367 PolarHBondContact O-N 2.97Å; K364-E368 WeakPolarHBondContact O-CB 3.44Å; K364-E368 WeakPolarHBondContact O-CG 3.32Å; K364-E368 PolarHBondContact O-N 3.08Å |
| 365 | R | 95.9 | Very high | 95.5 | Very high | 150 Ų | 150 | 113.6 Ų | 113.6 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.3 | -39.4 | 176.7 | -71.7 | -179.5 | -167.3 | 94.5 | -11.2 | 112 | S361 T362 E368 S369 | S361-R365 VanDerWaalsContact CB-NH1 3.31Å; S361-R365 WeakPolarHBondContact O-CG 3.42Å; S361-R365 PolarHBondContact O-N 3.02Å; S361-R365 PolarHBondContact O-NH1 3.41Å; S361-R365 PolarHBondContact OG-NH1 3.46Å; T362-R365 PolarHBondContact O-N 3.39Å; T362-R365 VanDerWaalsContact O-N 3.13Å; R365-E368 PolarHBondContact O-N 3.19Å; R365-S369 WeakPolarHBondContact O-CB 3.45Å; R365-S369 PolarHBondContact O-N 2.88Å |
| 366 | E | 93.2 | Very high | 95.5 | Very high | 97 Ų | 97 | 109.2 Ų | 109.2 | 45% | 0.453 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 173.7 | -73.3 | 178.9 | 173.3 | 0 | 0 | 110.8 | T362 L363 K364 E368 S369 Y370 | T362-E366 WeakPolarHBondContact O-CG 3.47Å; T362-E366 PolarHBondContact O-N 2.94Å; L363-E366 PolarHBondContact O-N 3.29Å; K364-E366 VanDerWaalsContact C-N 3.35Å; K364-E366 PolarHBondContact O-N 3.28Å; E366-E368 VanDerWaalsContact C-N 3.34Å; E366-E368 PolarHBondContact O-N 3.22Å; E366-S369 PolarHBondContact O-N 2.82Å; E366-S369 VanDerWaalsContact O-N 3.08Å; E366-S369 PolarHBondContact O-OG 2.9Å; E366-Y370 HydrophobicContact CB-CE2 4.43Å; E366-Y370 WeakPolarHBondContact O-CD2 3.4Å; E366-Y370 PolarHBondContact O-N 3.45Å |
| 367 | Q | 96.1 | Very high | 95.4 | Very high | 132 Ų | 132 | 109.7 Ų | 109.7 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.1 | -42.7 | 175.9 | -173.2 | -179.2 | 10.6 | 0 | 0 | 112.6 | L363 K364 Y370 K371 | L363-Q367 WeakPolarHBondContact O-CB 3.39Å; L363-Q367 PolarHBondContact O-N 2.87Å; K364-Q367 PolarHBondContact O-N 2.97Å; Q367-Y370 PolarHBondContact O-N 3.5Å; Q367-K371 WeakPolarHBondContact O-CB 3.39Å; Q367-K371 PolarHBondContact O-N 2.86Å |
| 368 | E | 96.5 | Very high | 95.3 | Very high | 130 Ų | 130 | 103.2 Ų | 103.2 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 173.8 | -75.4 | 170.7 | -175.1 | 0 | 0 | 111.6 | K364 R365 E366 K371 Q372 | K364-E368 WeakPolarHBondContact O-CB 3.44Å; K364-E368 WeakPolarHBondContact O-CG 3.32Å; K364-E368 PolarHBondContact O-N 3.08Å; R365-E368 PolarHBondContact O-N 3.19Å; E366-E368 VanDerWaalsContact C-N 3.34Å; E366-E368 PolarHBondContact O-N 3.22Å; E368-K371 PolarHBondContact O-N 2.88Å; E368-Q372 WeakPolarHBondContact O-CB 3.37Å; E368-Q372 PolarHBondContact O-N 3.46Å |
| 369 | S | 95.3 | Very high | 95.2 | Very high | 56 Ų | 56 | 101.7 Ų | 101.7 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 176.5 | 80.1 | 0 | 0 | 0 | 0 | 112.8 | R365 E366 Q372 M373 | R365-S369 WeakPolarHBondContact O-CB 3.45Å; R365-S369 PolarHBondContact O-N 2.88Å; E366-S369 PolarHBondContact O-N 2.82Å; E366-S369 VanDerWaalsContact O-N 3.08Å; E366-S369 PolarHBondContact O-OG 2.9Å; S369-Q372 PolarHBondContact O-N 2.89Å; S369-M373 WeakPolarHBondContact O-CB 3.37Å; S369-M373 PolarHBondContact O-N 3.38Å |
| 370 | Y | 93.6 | Very high | 95.3 | Very high | 157 Ų | 157 | 106.2 Ų | 106.2 | 62% | 0.616 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 172.9 | -78.7 | -63.9 | 0 | 0 | 0 | 111.2 | E366 Q367 M373 Q374 | E366-Y370 HydrophobicContact CB-CE2 4.43Å; E366-Y370 WeakPolarHBondContact O-CD2 3.4Å; E366-Y370 PolarHBondContact O-N 3.45Å; Q367-Y370 PolarHBondContact O-N 3.5Å; Y370-M373 PolarHBondContact O-N 2.91Å; Y370-Q374 WeakPolarHBondContact O-CB 3.3Å; Y370-Q374 PolarHBondContact O-N 2.91Å |
| 371 | K | 96.6 | Very high | 95.2 | Very high | 135 Ų | 135 | 106.8 Ų | 106.8 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -39.5 | 175.7 | -171 | 177.6 | -178.3 | -179.1 | 0 | 112 | Q367 E368 Q374 N375 | Q367-K371 WeakPolarHBondContact O-CB 3.39Å; Q367-K371 PolarHBondContact O-N 2.86Å; E368-K371 PolarHBondContact O-N 2.88Å; K371-Q374 PolarHBondContact O-N 2.85Å; K371-N375 WeakPolarHBondContact O-CB 3.43Å; K371-N375 PolarHBondContact O-N 3.17Å; K371-N375 PolarHBondContact O-ND2 2.87Å; K371-N375 PolarHBondContact O-OD1 3.16Å |
| 372 | Q | 96.8 | Very high | 95.2 | Very high | 142 Ų | 142 | 108.5 Ų | 108.5 | 66% | 0.664 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.5 | -45.3 | 174.5 | -174.4 | 177.5 | 8.1 | 0 | 0 | 111.3 | E368 S369 N375 E376 | E368-Q372 WeakPolarHBondContact O-CB 3.37Å; E368-Q372 PolarHBondContact O-N 3.46Å; S369-Q372 PolarHBondContact O-N 2.89Å; Q372-N375 PolarHBondContact O-N 3.48Å; Q372-E376 PolarHBondContact O-N 3.35Å |
| 373 | M | 94.3 | Very high | 95.2 | Very high | 101 Ų | 101 | 111.1 Ų | 111.1 | 50% | 0.498 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 176.5 | -174.9 | -179.2 | -68.1 | 0 | 0 | 111.8 | S369 Y370 E376 F377 | S369-M373 WeakPolarHBondContact O-CB 3.37Å; S369-M373 PolarHBondContact O-N 3.38Å; Y370-M373 PolarHBondContact O-N 2.91Å; M373-E376 PolarHBondContact O-N 3.37Å; M373-F377 HydrophobicContact CG-CD2 3.77Å; M373-F377 HydrophobicContact CG-CE2 3.43Å; M373-F377 VanDerWaalsContact CG-CE2 3.43Å; M373-F377 HydrophobicContact CG-CZ 4.38Å; M373-F377 WeakPolarHBondContact O-CD2 3.26Å; M373-F377 PolarHBondContact O-N 3.01Å; M373-F377 HydrophobicContact SD-CE2 3.82Å |
| 374 | Q | 93.9 | Very high | 95.1 | Very high | 133 Ų | 133 | 112 Ų | 112 | 62% | 0.621 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 174.2 | -174.1 | -178.7 | 13.4 | 0 | 0 | 111.6 | Y370 K371 E376 F377 A378 | Y370-Q374 WeakPolarHBondContact O-CB 3.3Å; Y370-Q374 PolarHBondContact O-N 2.91Å; K371-Q374 PolarHBondContact O-N 2.85Å; Q374-E376 VanDerWaalsContact C-N 3.34Å; Q374-E376 PolarHBondContact O-N 3.19Å; Q374-F377 PolarHBondContact O-N 3.44Å; Q374-A378 WeakPolarHBondContact O-CB 3.42Å; Q374-A378 PolarHBondContact O-N 3.45Å |
| 375 | N | 94.9 | Very high | 95.1 | Very high | 96 Ų | 96 | 111 Ų | 111 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 175 | -71.2 | -13.5 | 0 | 0 | 0 | 111.8 | K371 Q372 A378 A379 | K371-N375 WeakPolarHBondContact O-CB 3.43Å; K371-N375 PolarHBondContact O-N 3.17Å; K371-N375 PolarHBondContact O-ND2 2.87Å; K371-N375 PolarHBondContact O-OD1 3.16Å; Q372-N375 PolarHBondContact O-N 3.48Å; N375-A378 PolarHBondContact O-N 3.39Å; N375-A379 WeakPolarHBondContact O-CB 3.5Å; N375-A379 PolarHBondContact O-N 3.34Å |
| 376 | E | 96.4 | Very high | 95 | Very high | 97 Ų | 97 | 106.4 Ų | 106.4 | 45% | 0.453 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 176.4 | -164.9 | -172.4 | 165.9 | 0 | 0 | 111.6 | Q372 M373 Q374 A379 R380 | Q372-E376 PolarHBondContact O-N 3.35Å; M373-E376 PolarHBondContact O-N 3.37Å; Q374-E376 VanDerWaalsContact C-N 3.34Å; Q374-E376 PolarHBondContact O-N 3.19Å; E376-A379 PolarHBondContact O-N 3.43Å; E376-R380 WeakPolarHBondContact O-CB 3.35Å; E376-R380 VanDerWaalsContact O-CG 3.27Å; E376-R380 WeakPolarHBondContact O-CG 3.47Å; E376-R380 PolarHBondContact O-N 3.23Å; E376-R380 IonicContact OE1-CZ 3.19Å; E376-R380 VanDerWaalsContact OE1-CZ 3.22Å; E376-R380 IonicContact OE1-NE 3.6Å; E376-R380 PolarHBondContact OE1-NE 3.43Å; E376-R380 IonicContact OE1-NH2 3.69Å; E376-R380 PolarHBondContact OE1-NH2 3.3Å |
| 377 | F | 92.6 | Very high | 95.1 | Very high | 121 Ų | 121 | 106.3 Ų | 106.3 | 53% | 0.531 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 173.5 | -77.9 | -56.3 | 0 | 0 | 0 | 112.1 | M373 Q374 A379 R380 L381 | M373-F377 HydrophobicContact CG-CD2 3.77Å; M373-F377 HydrophobicContact CG-CE2 3.43Å; M373-F377 VanDerWaalsContact CG-CE2 3.43Å; M373-F377 HydrophobicContact CG-CZ 4.38Å; M373-F377 WeakPolarHBondContact O-CD2 3.26Å; M373-F377 PolarHBondContact O-N 3.01Å; M373-F377 HydrophobicContact SD-CE2 3.82Å; Q374-F377 PolarHBondContact O-N 3.44Å; F377-A379 PolarHBondContact O-N 2.89Å; F377-R380 PolarHBondContact O-N 3Å; F377-L381 WeakPolarHBondContact O-CB 3.48Å; F377-L381 PolarHBondContact O-N 3.19Å |
| 378 | A | 94.8 | Very high | 94.9 | Very high | 57 Ų | 57 | 108.7 Ų | 108.7 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q374 N375 L381 S382 | Q374-A378 WeakPolarHBondContact O-CB 3.42Å; Q374-A378 PolarHBondContact O-N 3.45Å; N375-A378 PolarHBondContact O-N 3.39Å; A378-L381 PolarHBondContact O-N 3.42Å; A378-S382 WeakPolarHBondContact O-CB 3.37Å; A378-S382 PolarHBondContact O-N 3.19Å |
| 379 | A | 95.6 | Very high | 94.9 | Very high | 60 Ų | 60 | 107.9 Ų | 107.9 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N375 E376 F377 K383 | N375-A379 WeakPolarHBondContact O-CB 3.5Å; N375-A379 PolarHBondContact O-N 3.34Å; E376-A379 PolarHBondContact O-N 3.43Å; F377-A379 PolarHBondContact O-N 2.89Å; A379-K383 WeakPolarHBondContact O-CB 3.42Å; A379-K383 PolarHBondContact O-N 2.89Å |
| 380 | R | 95.6 | Very high | 94.9 | Very high | 144 Ų | 144 | 112.8 Ų | 112.8 | 54% | 0.543 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 174.1 | -72.1 | 172.6 | -178.8 | -157.3 | 5.5 | 111.8 | E376 F377 K383 M384 | E376-R380 WeakPolarHBondContact O-CB 3.35Å; E376-R380 VanDerWaalsContact O-CG 3.27Å; E376-R380 WeakPolarHBondContact O-CG 3.47Å; E376-R380 PolarHBondContact O-N 3.23Å; E376-R380 IonicContact OE1-CZ 3.19Å; E376-R380 VanDerWaalsContact OE1-CZ 3.22Å; E376-R380 IonicContact OE1-NE 3.6Å; E376-R380 PolarHBondContact OE1-NE 3.43Å; E376-R380 IonicContact OE1-NH2 3.69Å; E376-R380 PolarHBondContact OE1-NH2 3.3Å; F377-R380 PolarHBondContact O-N 3Å; R380-K383 PolarHBondContact O-N 3.41Å; R380-M384 PolarHBondContact O-N 2.86Å |
| 381 | L | 93.9 | Very high | 95 | Very high | 94 Ų | 94 | 111 Ų | 111 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.3 | -51.9 | 176 | -164.6 | 95.3 | 0 | 0 | 0 | 110.5 | F377 A378 K383 M384 E385 | F377-L381 WeakPolarHBondContact O-CB 3.48Å; F377-L381 PolarHBondContact O-N 3.19Å; A378-L381 PolarHBondContact O-N 3.42Å; L381-K383 VanDerWaalsContact C-N 3.28Å; L381-K383 PolarHBondContact O-N 3.11Å; L381-M384 WeakPolarHBondContact O-CB 3.37Å; L381-M384 PolarHBondContact O-N 2.82Å; L381-E385 WeakPolarHBondContact O-CG 3.4Å; L381-E385 PolarHBondContact O-N 3.45Å |
| 382 | S | 95.4 | Very high | 94.9 | Very high | 71 Ų | 71 | 106.7 Ų | 106.7 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.2 | -38.4 | 177.8 | 178.5 | 0 | 0 | 0 | 0 | 112.5 | A378 E385 A386 | A378-S382 WeakPolarHBondContact O-CB 3.37Å; A378-S382 PolarHBondContact O-N 3.19Å; S382-E385 PolarHBondContact O-N 3.47Å; S382-A386 WeakPolarHBondContact O-CB 3.34Å; S382-A386 PolarHBondContact O-N 2.9Å |
| 383 | K | 96.9 | Very high | 94.8 | Very high | 129 Ų | 129 | 104.7 Ų | 104.7 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.6 | -44.5 | 173.5 | -173.1 | 174 | -173.9 | -77.9 | 0 | 112.2 | A379 R380 L381 A386 E387 | A379-K383 WeakPolarHBondContact O-CB 3.42Å; A379-K383 PolarHBondContact O-N 2.89Å; R380-K383 PolarHBondContact O-N 3.41Å; L381-K383 VanDerWaalsContact C-N 3.28Å; L381-K383 PolarHBondContact O-N 3.11Å; K383-A386 PolarHBondContact O-N 2.99Å; K383-E387 WeakPolarHBondContact CE-OE1 3.28Å; K383-E387 IonicContact NZ-OE1 3.72Å; K383-E387 PolarHBondContact NZ-OE1 2.94Å; K383-E387 WeakPolarHBondContact O-CB 3.34Å; K383-E387 WeakPolarHBondContact O-CG 3.4Å; K383-E387 PolarHBondContact O-N 2.96Å |
| 384 | M | 93.2 | Very high | 94.9 | Very high | 122 Ų | 122 | 101.8 Ų | 101.8 | 60% | 0.601 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 176.2 | -170 | -146.9 | -59.9 | 0 | 0 | 111.6 | R380 L381 E387 R388 | R380-M384 PolarHBondContact O-N 2.86Å; L381-M384 WeakPolarHBondContact O-CB 3.37Å; L381-M384 PolarHBondContact O-N 2.82Å; M384-E387 PolarHBondContact O-N 3.36Å; M384-R388 WeakPolarHBondContact O-CB 3.42Å; M384-R388 PolarHBondContact O-N 3.39Å |
| 385 | E | 94.8 | Very high | 94.9 | Very high | 106 Ų | 106 | 100.2 Ų | 100.2 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 176.4 | -72.6 | 175.1 | 159.6 | 0 | 0 | 111.7 | L381 S382 R388 Q389 | L381-E385 WeakPolarHBondContact O-CG 3.4Å; L381-E385 PolarHBondContact O-N 3.45Å; S382-E385 PolarHBondContact O-N 3.47Å; E385-R388 PolarHBondContact O-N 2.86Å; E385-Q389 WeakPolarHBondContact O-CB 3.23Å; E385-Q389 PolarHBondContact O-N 2.7Å |
| 386 | A | 95.8 | Very high | 95 | Very high | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S382 K383 Q389 K390 | S382-A386 WeakPolarHBondContact O-CB 3.34Å; S382-A386 PolarHBondContact O-N 2.9Å; K383-A386 PolarHBondContact O-N 2.99Å; A386-Q389 PolarHBondContact O-N 2.89Å; A386-K390 VanDerWaalsContact O-CB 3.32Å; A386-K390 WeakPolarHBondContact O-CB 3.44Å; A386-K390 PolarHBondContact O-N 2.9Å |
| 387 | E | 95 | Very high | 95 | Very high | 95 Ų | 95 | 97.6 Ų | 97.6 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 173.2 | -75.5 | 171.2 | -171 | 0 | 0 | 111.4 | K383 M384 K390 L391 | K383-E387 WeakPolarHBondContact CE-OE1 3.28Å; K383-E387 IonicContact NZ-OE1 3.72Å; K383-E387 PolarHBondContact NZ-OE1 2.94Å; K383-E387 WeakPolarHBondContact O-CB 3.34Å; K383-E387 WeakPolarHBondContact O-CG 3.4Å; K383-E387 PolarHBondContact O-N 2.96Å; M384-E387 PolarHBondContact O-N 3.36Å; E387-K390 PolarHBondContact O-N 2.86Å; E387-L391 WeakPolarHBondContact O-CB 3.38Å; E387-L391 WeakPolarHBondContact O-CG 3.33Å; E387-L391 PolarHBondContact O-N 2.87Å |
| 388 | R | 91.2 | Very high | 95 | Very high | 181 Ų | 181 | 94.5 Ų | 94.5 | 68% | 0.683 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 174.8 | -165.6 | -168.7 | 80.1 | 89.1 | 0.2 | 111.7 | M384 E385 L391 A392 | M384-R388 WeakPolarHBondContact O-CB 3.42Å; M384-R388 PolarHBondContact O-N 3.39Å; E385-R388 PolarHBondContact O-N 2.86Å; R388-L391 PolarHBondContact O-N 2.93Å; R388-A392 WeakPolarHBondContact O-CB 3.49Å; R388-A392 PolarHBondContact O-N 3.39Å |
| 389 | Q | 95.6 | Very high | 94.9 | Very high | 113 Ų | 113 | 97 Ų | 97 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 175.5 | 179.1 | 175 | -16.6 | 0 | 0 | 110.9 | E385 A386 L391 A392 E393 | E385-Q389 WeakPolarHBondContact O-CB 3.23Å; E385-Q389 PolarHBondContact O-N 2.7Å; A386-Q389 PolarHBondContact O-N 2.89Å; Q389-L391 VanDerWaalsContact C-N 3.3Å; Q389-L391 PolarHBondContact O-N 2.84Å; Q389-A392 PolarHBondContact O-N 3.32Å; Q389-A392 VanDerWaalsContact O-N 3.14Å; Q389-E393 HydrophobicContact CG-CG 4.39Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.32Å; Q389-E393 PolarHBondContact NE2-OE1 2.9Å; Q389-E393 WeakPolarHBondContact O-CB 3.3Å; Q389-E393 WeakPolarHBondContact O-CG 3.39Å; Q389-E393 PolarHBondContact O-N 3.07Å |
| 390 | K | 96.5 | Very high | 95 | Very high | 159 Ų | 159 | 101.9 Ų | 101.9 | 69% | 0.691 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.7 | -37.9 | 177.6 | -174.5 | -179.8 | 179.6 | -177.1 | 0 | 112.6 | A386 E387 G394 | A386-K390 VanDerWaalsContact O-CB 3.32Å; A386-K390 WeakPolarHBondContact O-CB 3.44Å; A386-K390 PolarHBondContact O-N 2.9Å; E387-K390 PolarHBondContact O-N 2.86Å; K390-G394 PolarHBondContact O-N 3.48Å |
| 391 | L | 94.8 | Very high | 95 | Very high | 121 Ų | 121 | 101.9 Ų | 101.9 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.7 | -42.9 | 173.6 | -73.3 | 172.1 | 0 | 0 | 0 | 111.8 | E387 R388 Q389 G394 I395 | E387-L391 WeakPolarHBondContact O-CB 3.38Å; E387-L391 WeakPolarHBondContact O-CG 3.33Å; E387-L391 PolarHBondContact O-N 2.87Å; R388-L391 PolarHBondContact O-N 2.93Å; Q389-L391 VanDerWaalsContact C-N 3.3Å; Q389-L391 PolarHBondContact O-N 2.84Å; L391-G394 PolarHBondContact O-N 2.88Å; L391-I395 WeakPolarHBondContact O-CG1 3.47Å; L391-I395 PolarHBondContact O-N 3.3Å |
| 392 | A | 94.7 | Very high | 95.1 | Very high | 44 Ų | 44 | 105 Ų | 105 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R388 Q389 G394 I395 T396 | R388-A392 WeakPolarHBondContact O-CB 3.49Å; R388-A392 PolarHBondContact O-N 3.39Å; Q389-A392 PolarHBondContact O-N 3.32Å; Q389-A392 VanDerWaalsContact O-N 3.14Å; A392-G394 VanDerWaalsContact C-N 3.33Å; A392-G394 PolarHBondContact O-N 3.37Å; A392-I395 PolarHBondContact O-N 3.16Å; A392-T396 WeakPolarHBondContact O-CG2 3.33Å; A392-T396 PolarHBondContact O-N 2.88Å |
| 393 | E | 95.9 | Very high | 95.1 | Very high | 99 Ų | 99 | 106 Ų | 106 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 172.6 | -72.8 | 172.2 | -170 | 0 | 0 | 110.9 | Q389 I395 T396 V397 | Q389-E393 HydrophobicContact CG-CG 4.39Å; Q389-E393 WeakPolarHBondContact CG-OE1 3.32Å; Q389-E393 PolarHBondContact NE2-OE1 2.9Å; Q389-E393 WeakPolarHBondContact O-CB 3.3Å; Q389-E393 WeakPolarHBondContact O-CG 3.39Å; Q389-E393 PolarHBondContact O-N 3.07Å; E393-I395 PolarHBondContact O-N 2.97Å; E393-T396 PolarHBondContact O-N 3.35Å; E393-T396 PolarHBondContact O-OG1 3.32Å; E393-V397 WeakPolarHBondContact O-CG2 3.43Å; E393-V397 PolarHBondContact O-N 3.19Å |
| 394 | G | 95.6 | Very high | 95.1 | Very high | 41 Ų | 41 | 102.7 Ų | 102.7 | 42% | 0.423 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K390 L391 A392 V397 A398 | K390-G394 PolarHBondContact O-N 3.48Å; L391-G394 PolarHBondContact O-N 2.88Å; A392-G394 VanDerWaalsContact C-N 3.33Å; A392-G394 PolarHBondContact O-N 3.37Å; G394-V397 PolarHBondContact O-N 3.42Å; G394-A398 WeakPolarHBondContact O-CB 3.32Å; G394-A398 PolarHBondContact O-N 3.34Å |
| 395 | I | 94.3 | Very high | 95.1 | Very high | 99 Ų | 99 | 102 Ų | 102 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -51 | 175.1 | -69.5 | 165 | 0 | 0 | 0 | 110.2 | L391 A392 E393 V397 A398 E399 | L391-I395 WeakPolarHBondContact O-CG1 3.47Å; L391-I395 PolarHBondContact O-N 3.3Å; A392-I395 PolarHBondContact O-N 3.16Å; E393-I395 PolarHBondContact O-N 2.97Å; I395-V397 VanDerWaalsContact C-N 3.25Å; I395-V397 PolarHBondContact O-N 2.92Å; I395-A398 CarbonylContact O-C 3.59Å; I395-A398 WeakPolarHBondContact O-CA 3.35Å; I395-A398 WeakPolarHBondContact O-CB 3.49Å; I395-A398 PolarHBondContact O-N 3.46Å; I395-E399 HydrophobicContact CG2-CG 4.19Å; I395-E399 WeakPolarHBondContact O-CG 3.46Å; I395-E399 PolarHBondContact O-N 2.86Å |
| 396 | T | 95.9 | Very high | 95.2 | Very high | 70 Ų | 70 | 102 Ų | 102 | 43% | 0.429 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -31.3 | 180 | 63.6 | 0 | 0 | 0 | 0 | 113.4 | A392 E393 R400 | A392-T396 WeakPolarHBondContact O-CG2 3.33Å; A392-T396 PolarHBondContact O-N 2.88Å; E393-T396 PolarHBondContact O-N 3.35Å; E393-T396 PolarHBondContact O-OG1 3.32Å; T396-R400 WeakPolarHBondContact O-CB 3.34Å; T396-R400 PolarHBondContact O-N 3.36Å |
| 397 | V | 96.6 | Very high | 95.2 | Very high | 68 Ų | 68 | 106 Ų | 106 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 173.3 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | E393 G394 I395 K401 | E393-V397 WeakPolarHBondContact O-CG2 3.43Å; E393-V397 PolarHBondContact O-N 3.19Å; G394-V397 PolarHBondContact O-N 3.42Å; I395-V397 VanDerWaalsContact C-N 3.25Å; I395-V397 PolarHBondContact O-N 2.92Å; V397-K401 HydrophobicContact CG1-CD 4.39Å; V397-K401 WeakPolarHBondContact O-CG 3.45Å; V397-K401 PolarHBondContact O-N 3.33Å |
| 398 | A | 93.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 107.9 Ų | 107.9 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G394 I395 K401 Y402 | G394-A398 WeakPolarHBondContact O-CB 3.32Å; G394-A398 PolarHBondContact O-N 3.34Å; I395-A398 CarbonylContact O-C 3.59Å; I395-A398 WeakPolarHBondContact O-CA 3.35Å; I395-A398 WeakPolarHBondContact O-CB 3.49Å; I395-A398 PolarHBondContact O-N 3.46Å; A398-K401 PolarHBondContact O-N 3.17Å; A398-Y402 WeakPolarHBondContact O-CB 3.43Å; A398-Y402 PolarHBondContact O-N 3.02Å |
| 399 | E | 93.3 | Very high | 95.3 | Very high | 110 Ų | 110 | 101.8 Ų | 101.8 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 174 | -72.6 | 175.8 | 161.3 | 0 | 0 | 111.7 | I395 K401 Y402 L403 | I395-E399 HydrophobicContact CG2-CG 4.19Å; I395-E399 WeakPolarHBondContact O-CG 3.46Å; I395-E399 PolarHBondContact O-N 2.86Å; E399-K401 PolarHBondContact O-N 3Å; E399-Y402 PolarHBondContact O-N 2.97Å; E399-L403 WeakPolarHBondContact O-CG 3.43Å; E399-L403 PolarHBondContact O-N 2.91Å |
| 400 | R | 96.1 | Very high | 95.3 | Very high | 163 Ų | 163 | 100.2 Ų | 100.2 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.1 | -46.7 | 175.5 | -179.2 | 179.5 | -81.9 | 119.2 | -8 | 111.3 | T396 Y402 L403 D404 | T396-R400 WeakPolarHBondContact O-CB 3.34Å; T396-R400 PolarHBondContact O-N 3.36Å; R400-Y402 PolarHBondContact O-N 3.4Å; R400-L403 PolarHBondContact O-N 3.12Å; R400-D404 PolarHBondContact O-N 3.16Å |
| 401 | K | 96.6 | Very high | 95.3 | Very high | 144 Ų | 144 | 98 Ų | 98 | 63% | 0.626 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 177.1 | -75.6 | 176.1 | 178.8 | -176.8 | 0 | 112.4 | V397 A398 E399 D404 E405 | V397-K401 HydrophobicContact CG1-CD 4.39Å; V397-K401 WeakPolarHBondContact O-CG 3.45Å; V397-K401 PolarHBondContact O-N 3.33Å; A398-K401 PolarHBondContact O-N 3.17Å; E399-K401 PolarHBondContact O-N 3Å; K401-D404 PolarHBondContact O-N 3.28Å; K401-E405 WeakPolarHBondContact O-CB 3.3Å; K401-E405 PolarHBondContact O-N 3.06Å |
| 402 | Y | 95.5 | Very high | 95.3 | Very high | 160 Ų | 160 | 97.1 Ų | 97.1 | 63% | 0.627 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 176.4 | 170.7 | -103.6 | 0 | 0 | 0 | 111.9 | A398 E399 R400 E405 K406 | A398-Y402 WeakPolarHBondContact O-CB 3.43Å; A398-Y402 PolarHBondContact O-N 3.02Å; E399-Y402 PolarHBondContact O-N 2.97Å; R400-Y402 PolarHBondContact O-N 3.4Å; Y402-E405 PolarHBondContact O-N 3.29Å; Y402-K406 VanDerWaalsContact O-CB 3.28Å; Y402-K406 WeakPolarHBondContact O-CB 3.37Å; Y402-K406 PolarHBondContact O-N 2.91Å |
| 403 | L | 96 | Very high | 95.4 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 175.7 | -71 | 172.5 | 0 | 0 | 0 | 112.4 | E399 R400 R407 | E399-L403 WeakPolarHBondContact O-CG 3.43Å; E399-L403 PolarHBondContact O-N 2.91Å; R400-L403 PolarHBondContact O-N 3.12Å; L403-R407 WeakPolarHBondContact O-CG 3.32Å; L403-R407 PolarHBondContact O-N 2.86Å |
| 404 | D | 95.5 | Very high | 95.4 | Very high | 60 Ų | 60 | 102.9 Ų | 102.9 | 32% | 0.321 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 176.5 | -68 | -24.9 | 0 | 0 | 0 | 112 | R400 K401 R407 R408 | R400-D404 PolarHBondContact O-N 3.16Å; K401-D404 PolarHBondContact O-N 3.28Å; D404-R407 PolarHBondContact O-N 3.48Å; D404-R407 IonicContact OD1-NH1 2.68Å; D404-R407 PolarHBondContact OD1-NH1 3.43Å; D404-R408 PolarHBondContact O-N 2.94Å; D404-R408 VanDerWaalsContact O-N 3.12Å |
| 405 | E | 94.1 | Very high | 95.4 | Very high | 108 Ų | 108 | 106.5 Ų | 106.5 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.8 | -37.1 | 174.6 | -162.7 | 61.2 | -158.7 | 0 | 0 | 111.9 | K401 Y402 R407 R408 A409 | K401-E405 WeakPolarHBondContact O-CB 3.3Å; K401-E405 PolarHBondContact O-N 3.06Å; Y402-E405 PolarHBondContact O-N 3.29Å; E405-R407 VanDerWaalsContact C-N 3.35Å; E405-R407 PolarHBondContact O-N 2.83Å; E405-R408 WeakPolarHBondContact O-CB 3.32Å; E405-R408 PolarHBondContact O-N 3.37Å; E405-R408 IonicContact OE2-CZ 3.96Å; E405-R408 IonicContact OE2-NH1 3.04Å; E405-R408 PolarHBondContact OE2-NH1 2.84Å; E405-A409 PolarHBondContact O-N 2.95Å |
| 406 | K | 96 | Very high | 95.3 | Very high | 104 Ų | 104 | 106.3 Ų | 106.3 | 45% | 0.452 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 171.5 | -178 | 176.6 | 176.5 | 179.5 | 0 | 111.5 | Y402 R408 A409 D410 | Y402-K406 VanDerWaalsContact O-CB 3.28Å; Y402-K406 WeakPolarHBondContact O-CB 3.37Å; Y402-K406 PolarHBondContact O-N 2.91Å; K406-R408 VanDerWaalsContact C-N 3.34Å; K406-R408 PolarHBondContact O-N 3.34Å; K406-A409 WeakPolarHBondContact O-CB 3.45Å; K406-A409 PolarHBondContact O-N 3.1Å; K406-D410 VanDerWaalsContact O-CG 3.3Å; K406-D410 PolarHBondContact O-N 2.68Å |
| 407 | R | 95.8 | Very high | 95.4 | Very high | 141 Ų | 141 | 109.7 Ų | 109.7 | 53% | 0.532 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 173.7 | -74 | -172.8 | -170.8 | 106.4 | -0.8 | 112.1 | L403 D404 E405 A409 D410 E411 | L403-R407 WeakPolarHBondContact O-CG 3.32Å; L403-R407 PolarHBondContact O-N 2.86Å; D404-R407 PolarHBondContact O-N 3.48Å; D404-R407 IonicContact OD1-NH1 2.68Å; D404-R407 PolarHBondContact OD1-NH1 3.43Å; E405-R407 VanDerWaalsContact C-N 3.35Å; E405-R407 PolarHBondContact O-N 2.83Å; R407-A409 VanDerWaalsContact C-N 3.33Å; R407-A409 PolarHBondContact O-N 2.91Å; R407-D410 PolarHBondContact O-N 3.24Å; R407-E411 WeakPolarHBondContact O-CB 3.49Å; R407-E411 VanDerWaalsContact O-CG 3.32Å; R407-E411 WeakPolarHBondContact O-CG 3.47Å; R407-E411 PolarHBondContact O-N 3.48Å |
| 408 | R | 96.1 | Very high | 95.4 | Very high | 133 Ų | 133 | 111.4 Ų | 111.4 | 50% | 0.502 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 175.3 | -67.7 | 179.7 | -170.9 | 121.4 | 8.8 | 112.1 | D404 E405 K406 E411 L412 | D404-R408 PolarHBondContact O-N 2.94Å; D404-R408 VanDerWaalsContact O-N 3.12Å; E405-R408 WeakPolarHBondContact O-CB 3.32Å; E405-R408 PolarHBondContact O-N 3.37Å; E405-R408 IonicContact OE2-CZ 3.96Å; E405-R408 IonicContact OE2-NH1 3.04Å; E405-R408 PolarHBondContact OE2-NH1 2.84Å; K406-R408 VanDerWaalsContact C-N 3.34Å; K406-R408 PolarHBondContact O-N 3.34Å; R408-E411 PolarHBondContact O-N 2.85Å; R408-L412 WeakPolarHBondContact O-CB 3.45Å; R408-L412 VanDerWaalsContact O-CG 3.29Å; R408-L412 WeakPolarHBondContact O-CG 3.24Å; R408-L412 PolarHBondContact O-N 3.31Å |
| 409 | A | 93.4 | Very high | 95.4 | Very high | 53 Ų | 53 | 112.9 Ų | 112.9 | 44% | 0.438 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E405 K406 R407 L412 Q413 | E405-A409 PolarHBondContact O-N 2.95Å; K406-A409 WeakPolarHBondContact O-CB 3.45Å; K406-A409 PolarHBondContact O-N 3.1Å; R407-A409 VanDerWaalsContact C-N 3.33Å; R407-A409 PolarHBondContact O-N 2.91Å; A409-L412 PolarHBondContact O-N 2.94Å; A409-Q413 VanDerWaalsContact O-CB 3.28Å; A409-Q413 WeakPolarHBondContact O-CB 3.26Å; A409-Q413 PolarHBondContact O-N 3.34Å |
| 410 | D | 95.6 | Very high | 95.5 | Very high | 81 Ų | 81 | 113.8 Ų | 113.8 | 43% | 0.433 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.6 | -67.7 | -28.6 | 0 | 0 | 0 | 111.3 | K406 R407 Q413 Q414 | K406-D410 VanDerWaalsContact O-CG 3.3Å; K406-D410 PolarHBondContact O-N 2.68Å; R407-D410 PolarHBondContact O-N 3.24Å; D410-Q413 PolarHBondContact O-N 2.88Å; D410-Q414 WeakPolarHBondContact O-CB 3.32Å; D410-Q414 PolarHBondContact O-N 2.86Å |
| 411 | E | 96.4 | Very high | 95.4 | Very high | 111 Ų | 111 | 110.6 Ų | 110.6 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 174.9 | -76.2 | 170.9 | -161.6 | 0 | 0 | 112.3 | R407 R408 Q414 Q415 | R407-E411 WeakPolarHBondContact O-CB 3.49Å; R407-E411 VanDerWaalsContact O-CG 3.32Å; R407-E411 WeakPolarHBondContact O-CG 3.47Å; R407-E411 PolarHBondContact O-N 3.48Å; R408-E411 PolarHBondContact O-N 2.85Å; E411-Q414 WeakPolarHBondContact O-CB 3.4Å; E411-Q414 PolarHBondContact O-N 2.86Å; E411-Q415 WeakPolarHBondContact O-CG 3.21Å; E411-Q415 PolarHBondContact O-N 3.45Å |
| 412 | L | 94.6 | Very high | 95.4 | Very high | 104 Ų | 104 | 110.1 Ų | 110.1 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 176 | -73.3 | 171.8 | 0 | 0 | 0 | 111.5 | R408 A409 Q414 Q415 V416 | R408-L412 WeakPolarHBondContact O-CB 3.45Å; R408-L412 VanDerWaalsContact O-CG 3.29Å; R408-L412 WeakPolarHBondContact O-CG 3.24Å; R408-L412 PolarHBondContact O-N 3.31Å; A409-L412 PolarHBondContact O-N 2.94Å; L412-Q414 VanDerWaalsContact C-N 3.31Å; L412-Q414 PolarHBondContact O-N 3.24Å; L412-Q415 PolarHBondContact O-N 3.45Å; L412-V416 WeakPolarHBondContact O-CG2 3.37Å; L412-V416 PolarHBondContact O-N 2.98Å |
| 413 | Q | 96 | Very high | 95.3 | Very high | 138 Ų | 138 | 107 Ų | 107 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -39.5 | 174.2 | -176.2 | 177.9 | -4.4 | 0 | 0 | 111.3 | A409 D410 K417 | A409-Q413 VanDerWaalsContact O-CB 3.28Å; A409-Q413 WeakPolarHBondContact O-CB 3.26Å; A409-Q413 PolarHBondContact O-N 3.34Å; D410-Q413 PolarHBondContact O-N 2.88Å; Q413-K417 WeakPolarHBondContact O-CB 3.43Å; Q413-K417 PolarHBondContact O-N 2.91Å |
| 414 | Q | 95.9 | Very high | 95.2 | Very high | 125 Ų | 125 | 106.8 Ų | 106.8 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 173.4 | -174.8 | 174.7 | -2.2 | 0 | 0 | 111.8 | D410 E411 L412 K417 I418 | D410-Q414 WeakPolarHBondContact O-CB 3.32Å; D410-Q414 PolarHBondContact O-N 2.86Å; E411-Q414 WeakPolarHBondContact O-CB 3.4Å; E411-Q414 PolarHBondContact O-N 2.86Å; L412-Q414 VanDerWaalsContact C-N 3.31Å; L412-Q414 PolarHBondContact O-N 3.24Å; Q414-K417 PolarHBondContact O-N 2.99Å; Q414-I418 HydrophobicContact CG-CD1 4.08Å; Q414-I418 WeakPolarHBondContact O-CG1 3.36Å; Q414-I418 PolarHBondContact O-N 3.08Å |
| 415 | Q | 95.6 | Very high | 95.2 | Very high | 117 Ų | 117 | 107.3 Ų | 107.3 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 174.6 | -71.3 | -178.5 | 21.3 | 0 | 0 | 111.8 | E411 L412 K417 I418 T419 | E411-Q415 WeakPolarHBondContact O-CG 3.21Å; E411-Q415 PolarHBondContact O-N 3.45Å; L412-Q415 PolarHBondContact O-N 3.45Å; Q415-K417 VanDerWaalsContact C-N 3.29Å; Q415-K417 PolarHBondContact O-N 2.83Å; Q415-I418 PolarHBondContact O-N 3.34Å; Q415-I418 VanDerWaalsContact O-N 3.12Å; Q415-T419 PolarHBondContact O-N 3.46Å; Q415-T419 PolarHBondContact O-OG1 3.06Å |
| 416 | V | 93.4 | Very high | 95.2 | Very high | 95 Ų | 95 | 104.1 Ų | 104.1 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.3 | -37.9 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | L412 T419 K420 | L412-V416 WeakPolarHBondContact O-CG2 3.37Å; L412-V416 PolarHBondContact O-N 2.98Å; V416-T419 WeakPolarHBondContact CA-OG1 3.39Å; V416-T419 PolarHBondContact O-OG1 2.91Å; V416-K420 WeakPolarHBondContact O-CB 3.41Å; V416-K420 PolarHBondContact O-N 3.01Å |
| 417 | K | 96.3 | Very high | 95.1 | Very high | 142 Ų | 142 | 103.7 Ų | 103.7 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -40.7 | 174.7 | -171.2 | 176.8 | -179 | 179.6 | 0 | 111.9 | Q413 Q414 Q415 N421 | Q413-K417 WeakPolarHBondContact O-CB 3.43Å; Q413-K417 PolarHBondContact O-N 2.91Å; Q414-K417 PolarHBondContact O-N 2.99Å; Q415-K417 VanDerWaalsContact C-N 3.29Å; Q415-K417 PolarHBondContact O-N 2.83Å; K417-N421 WeakPolarHBondContact O-CB 3.47Å; K417-N421 PolarHBondContact O-N 3.41Å; K417-N421 PolarHBondContact O-OD1 3.49Å |
| 418 | I | 96.5 | Very high | 95 | Very high | 103 Ų | 103 | 101.9 Ų | 101.9 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -47.3 | 177.7 | -67.6 | 164.4 | 0 | 0 | 0 | 111 | Q414 Q415 K420 N421 H422 | Q414-I418 HydrophobicContact CG-CD1 4.08Å; Q414-I418 WeakPolarHBondContact O-CG1 3.36Å; Q414-I418 PolarHBondContact O-N 3.08Å; Q415-I418 PolarHBondContact O-N 3.34Å; Q415-I418 VanDerWaalsContact O-N 3.12Å; I418-K420 PolarHBondContact O-N 3.08Å; I418-N421 PolarHBondContact O-N 3.01Å; I418-H422 PolarHBondContact O-N 3.34Å |
| 419 | T | 94 | Very high | 94.9 | Very high | 88 Ų | 88 | 101 Ų | 101 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 179 | 57.4 | 0 | 0 | 0 | 0 | 112 | Q415 V416 H422 L423 | Q415-T419 PolarHBondContact O-N 3.46Å; Q415-T419 PolarHBondContact O-OG1 3.06Å; V416-T419 WeakPolarHBondContact CA-OG1 3.39Å; V416-T419 PolarHBondContact O-OG1 2.91Å; T419-H422 PolarHBondContact O-N 3.29Å; T419-L423 WeakPolarHBondContact O-CB 3.38Å; T419-L423 PolarHBondContact O-N 3.31Å |
| 420 | K | 95.5 | Very high | 94.8 | Very high | 129 Ų | 129 | 103.1 Ų | 103.1 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -47.1 | 171.1 | -175.6 | 176.1 | -179.3 | 177.8 | 0 | 111.6 | V416 I418 H422 L423 E424 | V416-K420 WeakPolarHBondContact O-CB 3.41Å; V416-K420 PolarHBondContact O-N 3.01Å; I418-K420 PolarHBondContact O-N 3.08Å; K420-H422 VanDerWaalsContact C-N 3.31Å; K420-H422 PolarHBondContact O-N 2.93Å; K420-L423 PolarHBondContact O-N 3.12Å; K420-E424 WeakPolarHBondContact O-CG 3.41Å; K420-E424 PolarHBondContact O-N 3.03Å |
| 421 | N | 95.1 | Very high | 94.8 | Very high | 96 Ų | 96 | 102.1 Ų | 102.1 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 176.1 | -72.4 | -4.1 | 0 | 0 | 0 | 111.5 | K417 I418 E424 T425 | K417-N421 WeakPolarHBondContact O-CB 3.47Å; K417-N421 PolarHBondContact O-N 3.41Å; K417-N421 PolarHBondContact O-OD1 3.49Å; I418-N421 PolarHBondContact O-N 3.01Å; N421-E424 PolarHBondContact O-N 2.9Å; N421-T425 PolarHBondContact O-N 3.25Å; N421-T425 PolarHBondContact O-OG1 2.88Å |
| 422 | H | 95.3 | Very high | 94.6 | Very high | 133 Ų | 133 | 100.1 Ų | 100.1 | 62% | 0.616 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -39.1 | 177.4 | -172.9 | 48.6 | 0 | 0 | 0 | 112.6 | I418 T419 K420 T425 A426 | I418-H422 PolarHBondContact O-N 3.34Å; T419-H422 PolarHBondContact O-N 3.29Å; K420-H422 VanDerWaalsContact C-N 3.31Å; K420-H422 PolarHBondContact O-N 2.93Å; H422-T425 VanDerWaalsContact CA-OG1 3.3Å; H422-T425 WeakPolarHBondContact CA-OG1 3.39Å; H422-T425 PolarHBondContact O-N 3.49Å; H422-T425 PolarHBondContact O-OG1 3.38Å; H422-A426 WeakPolarHBondContact O-CB 3.3Å; H422-A426 PolarHBondContact O-N 2.89Å |
| 423 | L | 93.6 | Very high | 94.6 | Very high | 96 Ų | 96 | 102.6 Ų | 102.6 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 173.6 | 179 | 63.8 | 0 | 0 | 0 | 111.9 | T419 K420 A426 K427 | T419-L423 WeakPolarHBondContact O-CB 3.38Å; T419-L423 PolarHBondContact O-N 3.31Å; K420-L423 PolarHBondContact O-N 3.12Å; L423-A426 PolarHBondContact O-N 2.85Å; L423-K427 HydrophobicContact CG-CD 4.49Å; L423-K427 WeakPolarHBondContact O-CB 3.25Å; L423-K427 VanDerWaalsContact O-CG 3.32Å; L423-K427 WeakPolarHBondContact O-CG 3.34Å; L423-K427 PolarHBondContact O-N 2.74Å |
| 424 | E | 94.8 | Very high | 94.5 | Very high | 86 Ų | 86 | 102.4 Ų | 102.4 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 175 | -64.4 | -49.5 | 138.6 | 0 | 0 | 112 | K420 N421 K427 Q428 | K420-E424 WeakPolarHBondContact O-CG 3.41Å; K420-E424 PolarHBondContact O-N 3.03Å; N421-E424 PolarHBondContact O-N 2.9Å; E424-K427 PolarHBondContact O-N 3.22Å; E424-K427 IonicContact OE1-NZ 3.33Å; E424-K427 PolarHBondContact OE1-NZ 2.87Å; E424-K427 VanDerWaalsContact OE2-CD 3.31Å; E424-K427 WeakPolarHBondContact OE2-CD 3.42Å; E424-K427 IonicContact OE2-NZ 2.7Å; E424-K427 PolarHBondContact OE2-NZ 3.31Å; E424-Q428 WeakPolarHBondContact O-CB 3.29Å; E424-Q428 PolarHBondContact O-N 3.4Å |
| 425 | T | 95.1 | Very high | 94.3 | Very high | 71 Ų | 71 | 100.5 Ų | 100.5 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 171.9 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | N421 H422 K427 Q428 E429 | N421-T425 PolarHBondContact O-N 3.25Å; N421-T425 PolarHBondContact O-OG1 2.88Å; H422-T425 VanDerWaalsContact CA-OG1 3.3Å; H422-T425 WeakPolarHBondContact CA-OG1 3.39Å; H422-T425 PolarHBondContact O-N 3.49Å; H422-T425 PolarHBondContact O-OG1 3.38Å; T425-K427 VanDerWaalsContact C-N 3.35Å; T425-K427 PolarHBondContact O-N 2.99Å; T425-Q428 PolarHBondContact O-N 3.13Å; T425-E429 WeakPolarHBondContact O-CG 3.42Å; T425-E429 PolarHBondContact O-N 2.83Å |
| 426 | A | 93.4 | Very high | 94.3 | Very high | 41 Ų | 41 | 101.2 Ų | 101.2 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -34.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H422 L423 L430 | H422-A426 WeakPolarHBondContact O-CB 3.3Å; H422-A426 PolarHBondContact O-N 2.89Å; L423-A426 PolarHBondContact O-N 2.85Å; A426-L430 WeakPolarHBondContact O-CB 3.33Å; A426-L430 PolarHBondContact O-N 3.31Å |
| 427 | K | 94.3 | Very high | 94.1 | Very high | 95 Ų | 95 | 99.5 Ų | 99.5 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 170.2 | -77 | 170.6 | 178.1 | 176.6 | 0 | 111.5 | L423 E424 T425 L430 T431 | L423-K427 HydrophobicContact CG-CD 4.49Å; L423-K427 WeakPolarHBondContact O-CB 3.25Å; L423-K427 VanDerWaalsContact O-CG 3.32Å; L423-K427 WeakPolarHBondContact O-CG 3.34Å; L423-K427 PolarHBondContact O-N 2.74Å; E424-K427 PolarHBondContact O-N 3.22Å; E424-K427 IonicContact OE1-NZ 3.33Å; E424-K427 PolarHBondContact OE1-NZ 2.87Å; E424-K427 VanDerWaalsContact OE2-CD 3.31Å; E424-K427 WeakPolarHBondContact OE2-CD 3.42Å; E424-K427 IonicContact OE2-NZ 2.7Å; E424-K427 PolarHBondContact OE2-NZ 3.31Å; T425-K427 VanDerWaalsContact C-N 3.35Å; T425-K427 PolarHBondContact O-N 2.99Å; K427-L430 WeakPolarHBondContact O-CB 3.34Å; K427-L430 PolarHBondContact O-N 3.47Å; K427-T431 WeakPolarHBondContact O-CG2 3Å; K427-T431 PolarHBondContact O-N 3.47Å; K427-T431 PolarHBondContact O-OG1 3.49Å |
| 428 | Q | 94.7 | Very high | 93.8 | Very high | 102 Ų | 102 | 96 Ų | 96 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 178.6 | -178 | 55.2 | 40.7 | 0 | 0 | 111.6 | E424 T425 L430 T431 D432 | E424-Q428 WeakPolarHBondContact O-CB 3.29Å; E424-Q428 PolarHBondContact O-N 3.4Å; T425-Q428 PolarHBondContact O-N 3.13Å; Q428-L430 VanDerWaalsContact C-N 3.33Å; Q428-L430 PolarHBondContact O-N 2.9Å; Q428-T431 WeakPolarHBondContact CA-OG1 3.41Å; Q428-T431 PolarHBondContact O-N 3.3Å; Q428-T431 PolarHBondContact O-OG1 2.96Å; Q428-D432 VanDerWaalsContact NE2-CG 3.28Å; Q428-D432 PolarHBondContact NE2-OD1 3.32Å; Q428-D432 PolarHBondContact NE2-OD2 2.76Å; Q428-D432 WeakPolarHBondContact O-CB 3.37Å; Q428-D432 VanDerWaalsContact O-CG 3.3Å; Q428-D432 PolarHBondContact O-N 2.84Å |
| 429 | E | 93.7 | Very high | 93.6 | Very high | 115 Ų | 115 | 97.7 Ų | 97.7 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 171.2 | -71.6 | 172.6 | -164.4 | 0 | 0 | 111.1 | T425 T431 D432 Y433 | T425-E429 WeakPolarHBondContact O-CG 3.42Å; T425-E429 PolarHBondContact O-N 2.83Å; E429-T431 PolarHBondContact O-N 3.3Å; E429-D432 PolarHBondContact O-N 2.88Å; E429-Y433 HydrophobicContact CB-CE2 4.44Å; E429-Y433 WeakPolarHBondContact O-CD2 3.4Å; E429-Y433 PolarHBondContact O-N 3.47Å |
| 430 | L | 91.9 | Very high | 93.4 | Very high | 98 Ų | 98 | 98 Ų | 98 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 177.3 | -179.3 | 63.9 | 0 | 0 | 0 | 112.9 | A426 K427 Q428 Y433 K434 | A426-L430 WeakPolarHBondContact O-CB 3.33Å; A426-L430 PolarHBondContact O-N 3.31Å; K427-L430 WeakPolarHBondContact O-CB 3.34Å; K427-L430 PolarHBondContact O-N 3.47Å; Q428-L430 VanDerWaalsContact C-N 3.33Å; Q428-L430 PolarHBondContact O-N 2.9Å; L430-Y433 PolarHBondContact O-N 3.44Å; L430-K434 WeakPolarHBondContact O-CB 3.43Å; L430-K434 WeakPolarHBondContact O-CG 3.32Å; L430-K434 PolarHBondContact O-N 2.76Å |
| 431 | T | 93.7 | Very high | 93.1 | Very high | 59 Ų | 59 | 96.5 Ų | 96.5 | 36% | 0.362 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.5 | -40 | 175 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | K427 Q428 E429 K434 Q435 | K427-T431 WeakPolarHBondContact O-CG2 3Å; K427-T431 PolarHBondContact O-N 3.47Å; K427-T431 PolarHBondContact O-OG1 3.49Å; Q428-T431 WeakPolarHBondContact CA-OG1 3.41Å; Q428-T431 PolarHBondContact O-N 3.3Å; Q428-T431 PolarHBondContact O-OG1 2.96Å; E429-T431 PolarHBondContact O-N 3.3Å; T431-K434 PolarHBondContact O-N 2.74Å; T431-Q435 WeakPolarHBondContact O-CB 3.45Å; T431-Q435 VanDerWaalsContact O-CG 3.31Å; T431-Q435 WeakPolarHBondContact O-CG 3.47Å; T431-Q435 PolarHBondContact O-N 2.79Å |
| 432 | D | 93.6 | Very high | 92.8 | Very high | 69 Ų | 69 | 96.4 Ų | 96.4 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 175.3 | -70 | -26.9 | 0 | 0 | 0 | 112.4 | Q428 E429 Q435 K436 | Q428-D432 VanDerWaalsContact NE2-CG 3.28Å; Q428-D432 PolarHBondContact NE2-OD1 3.32Å; Q428-D432 PolarHBondContact NE2-OD2 2.76Å; Q428-D432 WeakPolarHBondContact O-CB 3.37Å; Q428-D432 VanDerWaalsContact O-CG 3.3Å; Q428-D432 PolarHBondContact O-N 2.84Å; E429-D432 PolarHBondContact O-N 2.88Å; D432-Q435 PolarHBondContact O-N 3.32Å; D432-K436 WeakPolarHBondContact O-CB 3.31Å; D432-K436 PolarHBondContact O-N 2.57Å |
| 433 | Y | 94.4 | Very high | 92.3 | Very high | 156 Ų | 156 | 93.5 Ų | 93.5 | 61% | 0.612 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.8 | -45.9 | 170.2 | -81.3 | -62.8 | 0 | 0 | 0 | 112.1 | E429 L430 K436 A437 | E429-Y433 HydrophobicContact CB-CE2 4.44Å; E429-Y433 WeakPolarHBondContact O-CD2 3.4Å; E429-Y433 PolarHBondContact O-N 3.47Å; L430-Y433 PolarHBondContact O-N 3.44Å; Y433-K436 PolarHBondContact O-N 2.67Å; Y433-A437 WeakPolarHBondContact O-CB 3.3Å; Y433-A437 PolarHBondContact O-N 2.69Å |
| 434 | K | 93.3 | Very high | 91.9 | Very high | 134 Ų | 134 | 95 Ų | 95 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.8 | -48.4 | 174.4 | -78.5 | -178.4 | 177.4 | -173.9 | 0 | 110.9 | L430 T431 K436 A437 T438 | L430-K434 WeakPolarHBondContact O-CB 3.43Å; L430-K434 WeakPolarHBondContact O-CG 3.32Å; L430-K434 PolarHBondContact O-N 2.76Å; T431-K434 PolarHBondContact O-N 2.74Å; K434-K436 VanDerWaalsContact C-N 3.34Å; K434-K436 PolarHBondContact O-N 2.86Å; K434-A437 PolarHBondContact O-N 3.5Å; K434-A437 VanDerWaalsContact O-N 3.15Å; K434-T438 WeakPolarHBondContact O-CB 3.33Å; K434-T438 PolarHBondContact O-N 3.47Å; K434-T438 PolarHBondContact O-OG1 3.42Å; K434-T438 VanDerWaalsContact O-OG1 3.05Å |
| 435 | Q | 92.9 | Very high | 91.6 | Very high | 86 Ų | 86 | 95.1 Ų | 95.1 | 40% | 0.402 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 176.5 | -70.9 | 179.3 | 24.7 | 0 | 0 | 112.4 | T431 D432 R439 | T431-Q435 WeakPolarHBondContact O-CB 3.45Å; T431-Q435 VanDerWaalsContact O-CG 3.31Å; T431-Q435 WeakPolarHBondContact O-CG 3.47Å; T431-Q435 PolarHBondContact O-N 2.79Å; D432-Q435 PolarHBondContact O-N 3.32Å; Q435-R439 WeakPolarHBondContact O-CB 3.32Å; Q435-R439 VanDerWaalsContact O-CG 3.28Å; Q435-R439 WeakPolarHBondContact O-CG 3.48Å; Q435-R439 PolarHBondContact O-N 2.87Å; Q435-R439 PolarHBondContact O-NH1 3.48Å |
| 436 | K | 93.9 | Very high | 91.1 | Very high | 132 Ų | 132 | 99 Ų | 99 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.3 | -48.4 | 172.4 | -89 | 179.7 | 175 | 172.5 | 0 | 111.3 | D432 Y433 K434 R439 I440 | D432-K436 WeakPolarHBondContact O-CB 3.31Å; D432-K436 PolarHBondContact O-N 2.57Å; Y433-K436 PolarHBondContact O-N 2.67Å; K434-K436 VanDerWaalsContact C-N 3.34Å; K434-K436 PolarHBondContact O-N 2.86Å; K436-R439 PolarHBondContact O-N 3.32Å; K436-I440 WeakPolarHBondContact O-CD1 3.29Å; K436-I440 VanDerWaalsContact O-CG1 3.27Å; K436-I440 WeakPolarHBondContact O-CG1 3.39Å; K436-I440 PolarHBondContact O-N 2.91Å |
| 437 | A | 90.7 | Very high | 90.4 | Very high | 59 Ų | 59 | 102.2 Ų | 102.2 | 49% | 0.488 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y433 K434 I440 L441 | Y433-A437 WeakPolarHBondContact O-CB 3.3Å; Y433-A437 PolarHBondContact O-N 2.69Å; K434-A437 PolarHBondContact O-N 3.5Å; K434-A437 VanDerWaalsContact O-N 3.15Å; A437-I440 PolarHBondContact O-N 3.13Å; A437-L441 WeakPolarHBondContact O-CB 3.46Å; A437-L441 PolarHBondContact O-N 3.02Å |
| 438 | T | 90.3 | Very high | 89.6 | Confident | 69 Ų | 69 | 102.3 Ų | 102.3 | 42% | 0.423 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.8 | -56.5 | 0 | 0 | 0 | 0 | 112 | K434 I440 L441 Q442 | K434-T438 WeakPolarHBondContact O-CB 3.33Å; K434-T438 PolarHBondContact O-N 3.47Å; K434-T438 PolarHBondContact O-OG1 3.42Å; K434-T438 VanDerWaalsContact O-OG1 3.05Å; T438-I440 VanDerWaalsContact C-N 3.31Å; T438-I440 PolarHBondContact O-N 3.35Å; T438-L441 PolarHBondContact O-N 2.73Å; T438-Q442 HydrophobicContact CG2-CG 4.26Å; T438-Q442 WeakPolarHBondContact O-CB 3.47Å; T438-Q442 VanDerWaalsContact O-CG 3.3Å; T438-Q442 WeakPolarHBondContact O-CG 3.29Å; T438-Q442 PolarHBondContact O-N 3.4Å |
| 439 | R | 91.6 | Very high | 88.8 | Confident | 138 Ų | 138 | 101 Ų | 101 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 174.4 | -73.1 | -179 | -157.1 | 101.3 | -0.4 | 112.3 | Q435 K436 S443 | Q435-R439 WeakPolarHBondContact O-CB 3.32Å; Q435-R439 VanDerWaalsContact O-CG 3.28Å; Q435-R439 WeakPolarHBondContact O-CG 3.48Å; Q435-R439 PolarHBondContact O-N 2.87Å; Q435-R439 PolarHBondContact O-NH1 3.48Å; K436-R439 PolarHBondContact O-N 3.32Å; R439-S443 WeakPolarHBondContact O-CB 3.46Å; R439-S443 PolarHBondContact O-N 3.35Å; R439-S443 PolarHBondContact O-OG 3.38Å |
| 440 | I | 90 | Very high | 87.6 | Confident | 93 Ų | 93 | 99.6 Ų | 99.6 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.3 | -38.6 | 175.9 | -67.8 | 163.9 | 0 | 0 | 0 | 111.1 | K436 A437 T438 S443 K444 | K436-I440 WeakPolarHBondContact O-CD1 3.29Å; K436-I440 VanDerWaalsContact O-CG1 3.27Å; K436-I440 WeakPolarHBondContact O-CG1 3.39Å; K436-I440 PolarHBondContact O-N 2.91Å; A437-I440 PolarHBondContact O-N 3.13Å; T438-I440 VanDerWaalsContact C-N 3.31Å; T438-I440 PolarHBondContact O-N 3.35Å; I440-S443 PolarHBondContact O-OG 2.87Å; I440-K444 HydrophobicContact CG2-CD 4.46Å; I440-K444 WeakPolarHBondContact O-CB 3.39Å; I440-K444 WeakPolarHBondContact O-CG 3.44Å; I440-K444 PolarHBondContact O-N 2.89Å |
| 441 | L | 89.5 | Confident | 86.3 | Confident | 98 Ų | 98 | 101 Ų | 101 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.9 | -49.9 | 176.8 | -168.6 | 70.4 | 0 | 0 | 0 | 110.1 | A437 T438 S443 K444 E445 | A437-L441 WeakPolarHBondContact O-CB 3.46Å; A437-L441 PolarHBondContact O-N 3.02Å; T438-L441 PolarHBondContact O-N 2.73Å; L441-S443 VanDerWaalsContact C-N 3.31Å; L441-S443 PolarHBondContact O-N 3.26Å; L441-K444 CarbonylContact O-C 3.54Å; L441-K444 WeakPolarHBondContact O-CA 3.08Å; L441-K444 WeakPolarHBondContact O-CB 3.29Å; L441-K444 PolarHBondContact O-N 3.45Å; L441-E445 HydrophobicContact CG-CG 4.35Å; L441-E445 WeakPolarHBondContact O-CB 3.48Å; L441-E445 WeakPolarHBondContact O-CG 3.21Å; L441-E445 PolarHBondContact O-N 2.82Å |
| 442 | Q | 89 | Confident | 85 | Confident | 95 Ų | 95 | 104.9 Ų | 104.9 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -35.7 | 176.1 | -74 | 177.2 | -10.1 | 0 | 0 | 113.1 | T438 K446 | T438-Q442 HydrophobicContact CG2-CG 4.26Å; T438-Q442 WeakPolarHBondContact O-CB 3.47Å; T438-Q442 VanDerWaalsContact O-CG 3.3Å; T438-Q442 WeakPolarHBondContact O-CG 3.29Å; T438-Q442 PolarHBondContact O-N 3.4Å; Q442-K446 WeakPolarHBondContact O-CB 3.49Å; Q442-K446 WeakPolarHBondContact O-CG 3.46Å; Q442-K446 PolarHBondContact O-N 2.85Å |
| 443 | S | 83.1 | Confident | 83.3 | Confident | 71 Ų | 71 | 109.1 Ų | 109.1 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.9 | -35 | 175.2 | 68 | 0 | 0 | 0 | 0 | 112.1 | R439 I440 L441 L447 | R439-S443 WeakPolarHBondContact O-CB 3.46Å; R439-S443 PolarHBondContact O-N 3.35Å; R439-S443 PolarHBondContact O-OG 3.38Å; I440-S443 PolarHBondContact O-OG 2.87Å; L441-S443 VanDerWaalsContact C-N 3.31Å; L441-S443 PolarHBondContact O-N 3.26Å; S443-L447 WeakPolarHBondContact O-CB 3.26Å; S443-L447 PolarHBondContact O-N 2.87Å; S443-L447 VanDerWaalsContact O-N 3.11Å |
| 444 | K | 86.9 | Confident | 81.4 | Confident | 127 Ų | 127 | 105.1 Ų | 105.1 | 55% | 0.552 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.5 | -38.9 | 170.3 | -73.8 | -176.6 | 176.4 | -166.9 | 0 | 112.9 | I440 L441 L447 I448 | I440-K444 HydrophobicContact CG2-CD 4.46Å; I440-K444 WeakPolarHBondContact O-CB 3.39Å; I440-K444 WeakPolarHBondContact O-CG 3.44Å; I440-K444 PolarHBondContact O-N 2.89Å; L441-K444 CarbonylContact O-C 3.54Å; L441-K444 WeakPolarHBondContact O-CA 3.08Å; L441-K444 WeakPolarHBondContact O-CB 3.29Å; L441-K444 PolarHBondContact O-N 3.45Å; K444-L447 CarbonylContact O-C 3.59Å; K444-L447 WeakPolarHBondContact O-CB 3.16Å; K444-L447 PolarHBondContact O-N 3.32Å; K444-I448 WeakPolarHBondContact O-CB 3.41Å; K444-I448 WeakPolarHBondContact O-CD1 3.14Å; K444-I448 VanDerWaalsContact O-CG1 3.24Å; K444-I448 WeakPolarHBondContact O-CG1 3.37Å; K444-I448 PolarHBondContact O-N 2.78Å |
| 445 | E | 86.8 | Confident | 79.5 | Confident | 89 Ų | 89 | 103 Ų | 103 | 42% | 0.416 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 175.9 | -75.4 | 169.8 | 169.7 | 0 | 0 | 111.1 | L441 L447 I448 N449 | L441-E445 HydrophobicContact CG-CG 4.35Å; L441-E445 WeakPolarHBondContact O-CB 3.48Å; L441-E445 WeakPolarHBondContact O-CG 3.21Å; L441-E445 PolarHBondContact O-N 2.82Å; E445-L447 VanDerWaalsContact C-N 3.28Å; E445-L447 PolarHBondContact O-N 3.46Å; E445-I448 CarbonylContact O-C 3.58Å; E445-I448 PolarHBondContact O-N 3.42Å; E445-N449 WeakPolarHBondContact O-CB 3.38Å; E445-N449 PolarHBondContact O-N 3.23Å |
| 446 | K | 85.1 | Confident | 77.3 | Confident | 152 Ų | 152 | 101.9 Ų | 101.9 | 66% | 0.661 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.6 | -36.3 | 171.1 | -75.3 | 172.9 | -179.2 | -176 | 0 | 112.2 | Q442 S450 | Q442-K446 WeakPolarHBondContact O-CB 3.49Å; Q442-K446 WeakPolarHBondContact O-CG 3.46Å; Q442-K446 PolarHBondContact O-N 2.85Å; K446-S450 VanDerWaalsContact O-CB 3.26Å; K446-S450 WeakPolarHBondContact O-CB 3.33Å; K446-S450 PolarHBondContact O-N 2.84Å |
| 447 | L | 79.4 | Confident | 75.1 | Confident | 109 Ų | 109 | 103.7 Ų | 103.7 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.2 | -41.7 | 172.4 | -177.3 | 66.2 | 0 | 0 | 0 | 111.9 | S443 K444 E445 S450 L451 | S443-L447 WeakPolarHBondContact O-CB 3.26Å; S443-L447 PolarHBondContact O-N 2.87Å; S443-L447 VanDerWaalsContact O-N 3.11Å; K444-L447 CarbonylContact O-C 3.59Å; K444-L447 WeakPolarHBondContact O-CB 3.16Å; K444-L447 PolarHBondContact O-N 3.32Å; E445-L447 VanDerWaalsContact C-N 3.28Å; E445-L447 PolarHBondContact O-N 3.46Å; L447-S450 PolarHBondContact O-N 3.46Å; L447-L451 HydrophobicContact CG-CD1 4.4Å; L447-L451 WeakPolarHBondContact O-CD1 3.47Å; L447-L451 VanDerWaalsContact O-CG 3.31Å; L447-L451 WeakPolarHBondContact O-CG 3.49Å; L447-L451 PolarHBondContact O-N 2.76Å; L447-L451 VanDerWaalsContact O-N 3.09Å |
| 448 | I | 77.4 | Confident | 73.1 | Confident | 97 Ų | 97 | 110.1 Ų | 110.1 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.8 | -41.8 | 176.7 | -70.3 | 161.5 | 0 | 0 | 0 | 111 | K444 E445 L451 K452 | K444-I448 WeakPolarHBondContact O-CB 3.41Å; K444-I448 WeakPolarHBondContact O-CD1 3.14Å; K444-I448 VanDerWaalsContact O-CG1 3.24Å; K444-I448 WeakPolarHBondContact O-CG1 3.37Å; K444-I448 PolarHBondContact O-N 2.78Å; E445-I448 CarbonylContact O-C 3.58Å; E445-I448 PolarHBondContact O-N 3.42Å; I448-L451 CarbonylContact O-C 3.46Å; I448-L451 WeakPolarHBondContact O-CA 3.43Å; I448-L451 WeakPolarHBondContact O-CB 3.42Å; I448-L451 PolarHBondContact O-N 3.39Å; I448-K452 VanDerWaalsContact O-CB 3.24Å; I448-K452 WeakPolarHBondContact O-CB 3.23Å; I448-K452 PolarHBondContact O-N 2.82Å |
| 449 | N | 77.3 | Confident | 71.3 | Confident | 74 Ų | 74 | 110 Ų | 110 | 40% | 0.396 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.6 | -41 | 175.2 | -73.5 | 1.4 | 0 | 0 | 0 | 110.6 | E445 L451 K452 E453 | E445-N449 WeakPolarHBondContact O-CB 3.38Å; E445-N449 PolarHBondContact O-N 3.23Å; N449-L451 PolarHBondContact O-N 3.45Å; N449-K452 PolarHBondContact O-N 3.17Å; N449-E453 VanDerWaalsContact O-CB 3.3Å; N449-E453 WeakPolarHBondContact O-CB 3.3Å; N449-E453 WeakPolarHBondContact O-CG 3.31Å; N449-E453 PolarHBondContact O-N 2.8Å |
| 450 | S | 69.1 | Low | 69.6 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 60% | 0.601 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59 | -20.9 | 169.4 | -177.1 | 0 | 0 | 0 | 0 | 113.7 | K446 L447 | K446-S450 VanDerWaalsContact O-CB 3.26Å; K446-S450 WeakPolarHBondContact O-CB 3.33Å; K446-S450 PolarHBondContact O-N 2.84Å; L447-S450 PolarHBondContact O-N 3.46Å |
| 451 | L | 64.9 | Low | 68 | Low | 127 Ų | 127 | 111.5 Ų | 111.5 | 67% | 0.665 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -92.7 | -26.4 | 172.7 | -70.6 | 162.4 | 0 | 0 | 0 | 113 | L447 I448 N449 | L447-L451 HydrophobicContact CG-CD1 4.4Å; L447-L451 WeakPolarHBondContact O-CD1 3.47Å; L447-L451 VanDerWaalsContact O-CG 3.31Å; L447-L451 WeakPolarHBondContact O-CG 3.49Å; L447-L451 PolarHBondContact O-N 2.76Å; L447-L451 VanDerWaalsContact O-N 3.09Å; I448-L451 CarbonylContact O-C 3.46Å; I448-L451 WeakPolarHBondContact O-CA 3.43Å; I448-L451 WeakPolarHBondContact O-CB 3.42Å; I448-L451 PolarHBondContact O-N 3.39Å; N449-L451 PolarHBondContact O-N 3.45Å |
| 452 | K | 66.3 | Low | 66.3 | Low | 141 Ų | 141 | 113.3 Ų | 113.3 | 61% | 0.613 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -97.3 | -34.4 | -173.7 | -169.8 | -169.6 | 174.9 | -159 | 0 | 113.5 | I448 N449 G454 S455 | I448-K452 VanDerWaalsContact O-CB 3.24Å; I448-K452 WeakPolarHBondContact O-CB 3.23Å; I448-K452 PolarHBondContact O-N 2.82Å; N449-K452 PolarHBondContact O-N 3.17Å; K452-G454 PolarHBondContact O-N 2.94Å; K452-S455 CarbonylContact O-C 3.22Å; K452-S455 VanDerWaalsContact O-C 3.22Å; K452-S455 WeakPolarHBondContact O-CA 3.38Å; K452-S455 PolarHBondContact O-N 2.84Å; K452-S455 PolarHBondContact O-OG 2.67Å; K452-S455 VanDerWaalsContact O-OG 3.13Å |
| 453 | E | 58.3 | Low | 64.7 | Low | 159 Ų | 159 | 116 Ų | 116 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -68 | -18.5 | 166.9 | -66.6 | 173 | 143.7 | 0 | 0 | 111 | N449 S455 | N449-E453 VanDerWaalsContact O-CB 3.3Å; N449-E453 WeakPolarHBondContact O-CB 3.3Å; N449-E453 WeakPolarHBondContact O-CG 3.31Å; N449-E453 PolarHBondContact O-N 2.8Å; E453-S455 PolarHBondContact O-N 3.1Å |
| 454 | G | 52.7 | Low | 63.9 | Low | 71 Ų | 71 | 116.6 Ų | 116.6 | 73% | 0.732 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -63.9 | -8.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K452 | K452-G454 PolarHBondContact O-N 2.94Š|
| 455 | S | 53.6 | Low | 62.9 | Low | 90 Ų | 90 | 112.4 Ų | 112.4 | 63% | 0.629 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -144.2 | 57.6 | -178.6 | 69.9 | 0 | 0 | 0 | 0 | 114 | K452 E453 | K452-S455 CarbonylContact O-C 3.22Å; K452-S455 VanDerWaalsContact O-C 3.22Å; K452-S455 WeakPolarHBondContact O-CA 3.38Å; K452-S455 PolarHBondContact O-N 2.84Å; K452-S455 PolarHBondContact O-OG 2.67Å; K452-S455 VanDerWaalsContact O-OG 3.13Å; E453-S455 PolarHBondContact O-N 3.1Å |
| 456 | G | 46.5 | Very low | 62.1 | Low | 63 Ų | 63 | 110.8 Ų | 110.8 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | trans | 95.3 | 154.7 | 132.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 457 | I | 48.1 | Very low | 61.6 | Low | 170 Ų | 170 | 107.2 Ų | 107.2 | 87% | 0.872 | 62% | 0.622 | S | S | * | * | trans | 84.7 | 89.3 | 160.5 | -56.2 | 174.1 | 0 | 0 | 0 | 115.3 | ||||
| 458 | E | 48.5 | Very low | 61.6 | Low | 194 Ų | 194 | 108 Ų | 108 | 91% | 0.907 | 63% | 0.625 | S | S | * | * | trans | -69.1 | 150.2 | 165.9 | -58.3 | 157.9 | 117.1 | 0 | 0 | 111.7 | ||||
| 459 | G | 54.1 | Low | 61.7 | Low | 66 Ų | 66 | 108.7 Ų | 108.7 | 68% | 0.68 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 116.9 | 13.6 | 144.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 460 | L | 54.4 | Low | 61.9 | Low | 141 Ų | 141 | 109.7 Ų | 109.7 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | trans | -123.7 | 1.6 | 175.5 | -136.1 | 79.9 | 0 | 0 | 0 | 115.4 | T464 | L460-T464 PolarHBondContact O-OG1 2.87Š| ||
| 461 | D | 56.2 | Low | 62.6 | Low | 122 Ų | 122 | 112.3 Ų | 112.3 | 65% | 0.652 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.4 | -37.3 | -169.6 | -51.6 | -68.6 | 0 | 0 | 0 | 112.9 | H463 T464 A465 | D461-H463 PolarHBondContact O-N 3.36Å; D461-T464 PolarHBondContact O-N 2.83Å; D461-A465 VanDerWaalsContact O-CB 3.25Å; D461-A465 WeakPolarHBondContact O-CB 3.32Å; D461-A465 PolarHBondContact O-N 2.7Å |
| 462 | N | 55.1 | Low | 63.5 | Low | 136 Ų | 136 | 112.6 Ų | 112.6 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.5 | -35.3 | -166.6 | -155 | 90.1 | 0 | 0 | 0 | 113.9 | S466 | N462-S466 PolarHBondContact O-N 3.39Å; N462-S466 PolarHBondContact O-OG 2.99Å |
| 463 | H | 55.8 | Low | 64.5 | Low | 151 Ų | 151 | 111.7 Ų | 111.7 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -80.5 | -36.9 | -179.8 | -161.1 | -32.1 | 0 | 0 | 0 | 111.9 | D461 T467 | D461-H463 PolarHBondContact O-N 3.36Å; H463-T467 PolarHBondContact O-N 3.33Å; H463-T467 VanDerWaalsContact O-N 3.16Å; H463-T467 PolarHBondContact O-OG1 3.47Å; H463-T467 VanDerWaalsContact O-OG1 3.13Å |
| 464 | T | 66.3 | Low | 66 | Low | 83 Ų | 83 | 109.1 Ų | 109.1 | 51% | 0.509 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.5 | -41.5 | 179.5 | -46.7 | 0 | 0 | 0 | 0 | 111 | L460 D461 T467 M468 | L460-T464 PolarHBondContact O-OG1 2.87Å; D461-T464 PolarHBondContact O-N 2.83Å; T464-T467 WeakPolarHBondContact CA-OG1 3.38Å; T464-T467 PolarHBondContact O-N 3.47Å; T464-T467 PolarHBondContact O-OG1 2.85Å; T464-M468 PolarHBondContact O-N 3.03Å; T464-M468 VanDerWaalsContact O-N 3.09Å |
| 465 | A | 65.3 | Low | 67.8 | Low | 39 Ų | 39 | 112.1 Ų | 112.1 | 32% | 0.322 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -57.4 | -54.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D461 T467 M468 E469 | D461-A465 VanDerWaalsContact O-CB 3.25Å; D461-A465 WeakPolarHBondContact O-CB 3.32Å; D461-A465 PolarHBondContact O-N 2.7Å; A465-T467 VanDerWaalsContact C-N 3.27Å; A465-T467 PolarHBondContact O-N 3.08Å; A465-M468 PolarHBondContact O-N 3.39Å; A465-E469 WeakPolarHBondContact O-CG 3.41Å; A465-E469 PolarHBondContact O-N 3.31Å |
| 466 | S | 69 | Low | 69.7 | Low | 56 Ų | 56 | 112.4 Ų | 112.4 | 39% | 0.392 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.8 | -28.2 | -179.1 | -62.3 | 0 | 0 | 0 | 0 | 114.3 | N462 L470 | N462-S466 PolarHBondContact O-N 3.39Å; N462-S466 PolarHBondContact O-OG 2.99Å; S466-L470 WeakPolarHBondContact O-CB 3.43Å; S466-L470 PolarHBondContact O-N 3.4Å |
| 467 | T | 74.8 | Confident | 71.8 | Confident | 76 Ų | 76 | 114.5 Ų | 114.5 | 47% | 0.466 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.5 | -38.3 | 171.9 | 44.1 | 0 | 0 | 0 | 0 | 112.8 | H463 T464 A465 L470 E471 | H463-T467 PolarHBondContact O-N 3.33Å; H463-T467 VanDerWaalsContact O-N 3.16Å; H463-T467 PolarHBondContact O-OG1 3.47Å; H463-T467 VanDerWaalsContact O-OG1 3.13Å; T464-T467 WeakPolarHBondContact CA-OG1 3.38Å; T464-T467 PolarHBondContact O-N 3.47Å; T464-T467 PolarHBondContact O-OG1 2.85Å; A465-T467 VanDerWaalsContact C-N 3.27Å; A465-T467 PolarHBondContact O-N 3.08Å; T467-L470 PolarHBondContact O-N 2.64Å; T467-E471 PolarHBondContact O-N 3.07Å; T467-E471 VanDerWaalsContact O-N 3.12Å |
| 468 | M | 79.3 | Confident | 74 | Confident | 127 Ų | 127 | 109.1 Ų | 109.1 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.5 | -42.2 | 179.6 | -164.1 | 173.5 | 73.8 | 0 | 0 | 111.3 | T464 A465 L470 E471 E472 | T464-M468 PolarHBondContact O-N 3.03Å; T464-M468 VanDerWaalsContact O-N 3.09Å; A465-M468 PolarHBondContact O-N 3.39Å; M468-L470 VanDerWaalsContact C-N 3.29Å; M468-L470 PolarHBondContact O-N 2.86Å; M468-E471 PolarHBondContact O-N 3.14Å; M468-E472 WeakPolarHBondContact O-CB 3.45Å; M468-E472 PolarHBondContact O-N 2.9Å |
| 469 | E | 80.4 | Confident | 76.1 | Confident | 110 Ų | 110 | 101.7 Ų | 101.7 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.6 | -41.3 | 171.2 | -71.6 | 170.2 | 173 | 0 | 0 | 111.8 | A465 E472 L473 | A465-E469 WeakPolarHBondContact O-CG 3.41Å; A465-E469 PolarHBondContact O-N 3.31Å; E469-E472 PolarHBondContact O-N 3.32Å; E469-L473 WeakPolarHBondContact O-CB 3.47Å; E469-L473 VanDerWaalsContact O-CG 3.22Å; E469-L473 WeakPolarHBondContact O-CG 3.42Å; E469-L473 PolarHBondContact O-N 3.06Å |
| 470 | L | 80.7 | Confident | 77.9 | Confident | 95 Ų | 95 | 103.4 Ų | 103.4 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.5 | -32.9 | 179.7 | -161.9 | 156.5 | 0 | 0 | 0 | 112 | S466 T467 M468 K474 | S466-L470 WeakPolarHBondContact O-CB 3.43Å; S466-L470 PolarHBondContact O-N 3.4Å; T467-L470 PolarHBondContact O-N 2.64Å; M468-L470 VanDerWaalsContact C-N 3.29Å; M468-L470 PolarHBondContact O-N 2.86Å; L470-K474 HydrophobicContact CD2-CD 4.1Å; L470-K474 VanDerWaalsContact CD2-CE 3.45Å; L470-K474 HydrophobicContact CD2-CG 4.48Å; L470-K474 WeakPolarHBondContact O-CG 3.27Å; L470-K474 PolarHBondContact O-N 2.87Å; L470-K474 VanDerWaalsContact O-N 3.14Å |
| 471 | E | 84.4 | Confident | 79.8 | Confident | 141 Ų | 141 | 101.3 Ų | 101.3 | 66% | 0.659 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.5 | -40.1 | 174 | -169 | 158.1 | -144.4 | 0 | 0 | 112.2 | T467 M468 K474 H475 | T467-E471 PolarHBondContact O-N 3.07Å; T467-E471 VanDerWaalsContact O-N 3.12Å; M468-E471 PolarHBondContact O-N 3.14Å; E471-K474 WeakPolarHBondContact O-CB 3.38Å; E471-K474 PolarHBondContact O-N 3.12Å; E471-K474 VanDerWaalsContact O-N 3.17Å; E471-H475 PolarHBondContact O-N 2.79Å |
| 472 | E | 84.1 | Confident | 81.7 | Confident | 133 Ų | 133 | 102.1 Ų | 102.1 | 62% | 0.621 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 171.8 | -172.6 | 171.5 | -167.3 | 0 | 0 | 111.4 | M468 E469 K474 H475 E476 | M468-E472 WeakPolarHBondContact O-CB 3.45Å; M468-E472 PolarHBondContact O-N 2.9Å; E469-E472 PolarHBondContact O-N 3.32Å; E472-K474 VanDerWaalsContact C-N 3.26Å; E472-K474 PolarHBondContact O-N 3.27Å; E472-H475 PolarHBondContact O-N 3.05Å; E472-H475 VanDerWaalsContact O-N 3.14Å; E472-E476 WeakPolarHBondContact O-CB 3.18Å; E472-E476 PolarHBondContact O-N 2.83Å |
| 473 | L | 86.1 | Confident | 83.5 | Confident | 122 Ų | 122 | 101.5 Ų | 101.5 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -27.7 | 174.1 | -74 | 171.7 | 0 | 0 | 0 | 113.5 | E469 R477 | E469-L473 WeakPolarHBondContact O-CB 3.47Å; E469-L473 VanDerWaalsContact O-CG 3.22Å; E469-L473 WeakPolarHBondContact O-CG 3.42Å; E469-L473 PolarHBondContact O-N 3.06Å; L473-R477 WeakPolarHBondContact O-CB 3.28Å; L473-R477 PolarHBondContact O-N 2.83Å; L473-R477 VanDerWaalsContact O-N 3.14Å |
| 474 | K | 90.4 | Very high | 85.3 | Confident | 106 Ų | 106 | 100.4 Ų | 100.4 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.8 | -44.8 | 172 | -78.8 | 170.9 | 176.3 | 166.3 | 0 | 111.3 | L470 E471 E472 R477 D478 | L470-K474 HydrophobicContact CD2-CD 4.1Å; L470-K474 VanDerWaalsContact CD2-CE 3.45Å; L470-K474 HydrophobicContact CD2-CG 4.48Å; L470-K474 WeakPolarHBondContact O-CG 3.27Å; L470-K474 PolarHBondContact O-N 2.87Å; L470-K474 VanDerWaalsContact O-N 3.14Å; E471-K474 WeakPolarHBondContact O-CB 3.38Å; E471-K474 PolarHBondContact O-N 3.12Å; E471-K474 VanDerWaalsContact O-N 3.17Å; E472-K474 VanDerWaalsContact C-N 3.26Å; E472-K474 PolarHBondContact O-N 3.27Å; K474-R477 PolarHBondContact O-N 3.28Å; K474-D478 PolarHBondContact O-N 3.25Å |
| 475 | H | 91.8 | Very high | 86.7 | Confident | 133 Ų | 133 | 103.1 Ų | 103.1 | 62% | 0.616 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -48.5 | 177.9 | -174.2 | 52.8 | 0 | 0 | 0 | 110.8 | E471 E472 R477 D478 T479 | E471-H475 PolarHBondContact O-N 2.79Å; E472-H475 PolarHBondContact O-N 3.05Å; E472-H475 VanDerWaalsContact O-N 3.14Å; H475-R477 VanDerWaalsContact C-N 3.3Å; H475-R477 PolarHBondContact O-N 3.45Å; H475-D478 CarbonylContact O-C 3.49Å; H475-D478 PolarHBondContact O-N 2.9Å; H475-T479 PolarHBondContact O-N 3.39Å; H475-T479 PolarHBondContact O-OG1 2.89Å |
| 476 | E | 91.7 | Very high | 88.1 | Confident | 96 Ų | 96 | 108 Ų | 108 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 176 | -179.2 | 57.1 | -157.7 | 0 | 0 | 112.5 | E472 D478 T479 Q480 | E472-E476 WeakPolarHBondContact O-CB 3.18Å; E472-E476 PolarHBondContact O-N 2.83Å; E476-D478 VanDerWaalsContact C-N 3.3Å; E476-D478 PolarHBondContact O-N 2.82Å; E476-T479 VanDerWaalsContact CA-OG1 3.31Å; E476-T479 WeakPolarHBondContact CA-OG1 3.09Å; E476-T479 PolarHBondContact O-OG1 3.37Å; E476-Q480 VanDerWaalsContact O-CB 3.3Å; E476-Q480 WeakPolarHBondContact O-CB 3.35Å; E476-Q480 WeakPolarHBondContact O-CG 3.29Å; E476-Q480 PolarHBondContact O-N 3.26Å; E476-Q480 PolarHBondContact OE1-NE2 2.89Å |
| 477 | R | 91.9 | Very high | 89.4 | Confident | 107 Ų | 107 | 110 Ų | 110 | 40% | 0.404 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.9 | -27 | 174.5 | 174.7 | -92.7 | -71 | 163.9 | -1.2 | 113 | L473 K474 H475 K481 | L473-R477 WeakPolarHBondContact O-CB 3.28Å; L473-R477 PolarHBondContact O-N 2.83Å; L473-R477 VanDerWaalsContact O-N 3.14Å; K474-R477 PolarHBondContact O-N 3.28Å; H475-R477 VanDerWaalsContact C-N 3.3Å; H475-R477 PolarHBondContact O-N 3.45Å; R477-K481 WeakPolarHBondContact O-CG 3.09Å; R477-K481 PolarHBondContact O-N 3.5Å |
| 478 | D | 92.8 | Very high | 90.4 | Very high | 58 Ų | 58 | 111.3 Ų | 111.3 | 31% | 0.31 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -88.1 | -34 | 177.9 | -72 | -30.4 | 0 | 0 | 0 | 112.2 | K474 H475 E476 K481 E482 | K474-D478 PolarHBondContact O-N 3.25Å; H475-D478 CarbonylContact O-C 3.49Å; H475-D478 PolarHBondContact O-N 2.9Å; E476-D478 VanDerWaalsContact C-N 3.3Å; E476-D478 PolarHBondContact O-N 2.82Å; D478-K481 WeakPolarHBondContact O-CB 3.42Å; D478-K481 PolarHBondContact O-N 3.48Å; D478-K481 IonicContact OD1-NZ 3.57Å; D478-K481 PolarHBondContact OD1-NZ 2.88Å; D478-E482 PolarHBondContact O-N 3.44Å |
| 479 | T | 92.7 | Very high | 91.2 | Very high | 37 Ų | 37 | 106.8 Ų | 106.8 | 23% | 0.227 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 166.8 | 54.6 | 0 | 0 | 0 | 0 | 111 | H475 E476 K481 E482 E483 | H475-T479 PolarHBondContact O-N 3.39Å; H475-T479 PolarHBondContact O-OG1 2.89Å; E476-T479 VanDerWaalsContact CA-OG1 3.31Å; E476-T479 WeakPolarHBondContact CA-OG1 3.09Å; E476-T479 PolarHBondContact O-OG1 3.37Å; T479-K481 VanDerWaalsContact C-N 3.26Å; T479-K481 PolarHBondContact O-N 3.33Å; T479-E482 PolarHBondContact O-N 3.42Å; T479-E482 VanDerWaalsContact O-N 3.11Å; T479-E483 WeakPolarHBondContact O-CG 3.37Å; T479-E483 PolarHBondContact O-N 3.31Å |
| 480 | Q | 92.6 | Very high | 92 | Very high | 102 Ų | 102 | 106 Ų | 106 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -32.7 | 174.3 | -74.6 | 174 | 13.2 | 0 | 0 | 113.1 | E476 M484 | E476-Q480 VanDerWaalsContact O-CB 3.3Å; E476-Q480 WeakPolarHBondContact O-CB 3.35Å; E476-Q480 WeakPolarHBondContact O-CG 3.29Å; E476-Q480 PolarHBondContact O-N 3.26Å; E476-Q480 PolarHBondContact OE1-NE2 2.89Å; Q480-M484 VanDerWaalsContact O-CB 3.23Å; Q480-M484 WeakPolarHBondContact O-CB 3.42Å; Q480-M484 PolarHBondContact O-N 2.94Å |
| 481 | K | 95.3 | Very high | 92.8 | Very high | 98 Ų | 98 | 105.8 Ų | 105.8 | 43% | 0.426 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.6 | -42.8 | 172.7 | -78.3 | 175 | -170.2 | 160.7 | 0 | 112.3 | R477 D478 T479 E483 M484 Q485 | R477-K481 WeakPolarHBondContact O-CG 3.09Å; R477-K481 PolarHBondContact O-N 3.5Å; D478-K481 WeakPolarHBondContact O-CB 3.42Å; D478-K481 PolarHBondContact O-N 3.48Å; D478-K481 IonicContact OD1-NZ 3.57Å; D478-K481 PolarHBondContact OD1-NZ 2.88Å; T479-K481 VanDerWaalsContact C-N 3.26Å; T479-K481 PolarHBondContact O-N 3.33Å; K481-E483 VanDerWaalsContact C-N 3.34Å; K481-M484 PolarHBondContact O-N 3.46Å; K481-Q485 WeakPolarHBondContact O-CB 3.46Å; K481-Q485 PolarHBondContact O-N 2.84Å |
| 482 | E | 94.8 | Very high | 93.4 | Very high | 138 Ų | 138 | 104.2 Ų | 104.2 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 176.4 | -71.7 | -178.7 | -174.7 | 0 | 0 | 111 | D478 T479 Q485 K486 | D478-E482 PolarHBondContact O-N 3.44Å; T479-E482 PolarHBondContact O-N 3.42Å; T479-E482 VanDerWaalsContact O-N 3.11Å; E482-Q485 PolarHBondContact O-N 2.65Å; E482-K486 VanDerWaalsContact O-CB 3.3Å; E482-K486 WeakPolarHBondContact O-CB 3.37Å; E482-K486 PolarHBondContact O-N 2.91Å |
| 483 | E | 94.4 | Very high | 94 | Very high | 124 Ų | 124 | 103.1 Ų | 103.1 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 173 | -70.9 | -168.7 | 160.6 | 0 | 0 | 112 | T479 K481 Q485 K486 L487 | T479-E483 WeakPolarHBondContact O-CG 3.37Å; T479-E483 PolarHBondContact O-N 3.31Å; K481-E483 VanDerWaalsContact C-N 3.34Å; E483-Q485 VanDerWaalsContact C-N 3.35Å; E483-Q485 PolarHBondContact O-N 3.2Å; E483-K486 PolarHBondContact O-N 2.83Å; E483-L487 WeakPolarHBondContact O-CB 3.5Å; E483-L487 VanDerWaalsContact O-CG 3.31Å; E483-L487 WeakPolarHBondContact O-CG 3.41Å; E483-L487 PolarHBondContact O-N 2.95Å |
| 484 | M | 93.1 | Very high | 94.5 | Very high | 128 Ų | 128 | 102.6 Ų | 102.6 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -39.5 | 176 | -176.7 | 170.3 | 60 | 0 | 0 | 112.1 | Q480 K481 M488 | Q480-M484 VanDerWaalsContact O-CB 3.23Å; Q480-M484 WeakPolarHBondContact O-CB 3.42Å; Q480-M484 PolarHBondContact O-N 2.94Å; K481-M484 PolarHBondContact O-N 3.46Å; M484-M488 WeakPolarHBondContact O-CB 3.41Å; M484-M488 PolarHBondContact O-N 3.22Å |
| 485 | Q | 95.2 | Very high | 94.8 | Very high | 139 Ų | 139 | 106 Ų | 106 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67 | -40.4 | 175.7 | -175.2 | 173.7 | -3.2 | 0 | 0 | 111.5 | K481 E482 E483 M488 G489 | K481-Q485 WeakPolarHBondContact O-CB 3.46Å; K481-Q485 PolarHBondContact O-N 2.84Å; E482-Q485 PolarHBondContact O-N 2.65Å; E483-Q485 VanDerWaalsContact C-N 3.35Å; E483-Q485 PolarHBondContact O-N 3.2Å; Q485-M488 PolarHBondContact O-N 3.34Å; Q485-G489 PolarHBondContact O-N 3.42Å |
| 486 | K | 95.7 | Very high | 95 | Very high | 143 Ų | 143 | 103.2 Ų | 103.2 | 62% | 0.622 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 175.2 | -177.6 | -180 | 177.1 | -177 | 0 | 112 | E482 E483 M488 G489 Q490 | E482-K486 VanDerWaalsContact O-CB 3.3Å; E482-K486 WeakPolarHBondContact O-CB 3.37Å; E482-K486 PolarHBondContact O-N 2.91Å; E483-K486 PolarHBondContact O-N 2.83Å; K486-M488 VanDerWaalsContact C-N 3.34Å; K486-G489 PolarHBondContact O-N 2.92Å; K486-Q490 WeakPolarHBondContact O-CG 3.46Å; K486-Q490 PolarHBondContact O-N 3.46Å |
| 487 | L | 95.4 | Very high | 95.3 | Very high | 96 Ų | 96 | 102.7 Ų | 102.7 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 174.1 | -73.3 | 169.8 | 0 | 0 | 0 | 111.3 | E483 G489 Q490 I491 | E483-L487 WeakPolarHBondContact O-CB 3.5Å; E483-L487 VanDerWaalsContact O-CG 3.31Å; E483-L487 WeakPolarHBondContact O-CG 3.41Å; E483-L487 PolarHBondContact O-N 2.95Å; L487-G489 VanDerWaalsContact C-N 3.34Å; L487-G489 PolarHBondContact O-N 2.92Å; L487-Q490 PolarHBondContact O-N 2.8Å; L487-I491 VanDerWaalsContact O-CG1 3.29Å; L487-I491 WeakPolarHBondContact O-CG1 3.42Å; L487-I491 PolarHBondContact O-N 2.92Å |
| 488 | M | 96.1 | Very high | 95.4 | Very high | 104 Ų | 104 | 102.5 Ų | 102.5 | 51% | 0.512 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 174.4 | -170.6 | 178 | 72.9 | 0 | 0 | 111.8 | M484 Q485 K486 I491 Q492 | M484-M488 WeakPolarHBondContact O-CB 3.41Å; M484-M488 PolarHBondContact O-N 3.22Å; Q485-M488 PolarHBondContact O-N 3.34Å; K486-M488 VanDerWaalsContact C-N 3.34Å; M488-I491 PolarHBondContact O-N 3.08Å; M488-Q492 WeakPolarHBondContact O-CG 3.41Å; M488-Q492 PolarHBondContact O-N 2.89Å |
| 489 | G | 96.2 | Very high | 95.7 | Very high | 33 Ų | 33 | 105.4 Ų | 105.4 | 34% | 0.34 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q485 K486 L487 I491 Q492 Q493 | Q485-G489 PolarHBondContact O-N 3.42Å; K486-G489 PolarHBondContact O-N 2.92Å; L487-G489 VanDerWaalsContact C-N 3.34Å; L487-G489 PolarHBondContact O-N 2.92Å; G489-I491 PolarHBondContact O-N 3.29Å; G489-Q492 PolarHBondContact O-N 3.39Å; G489-Q493 PolarHBondContact O-N 3.31Å |
| 490 | Q | 96.9 | Very high | 95.9 | Very high | 92 Ų | 92 | 108.4 Ų | 108.4 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 174.9 | -72.5 | 178.4 | -22 | 0 | 0 | 112.4 | K486 L487 Q492 Q493 L494 | K486-Q490 WeakPolarHBondContact O-CG 3.46Å; K486-Q490 PolarHBondContact O-N 3.46Å; L487-Q490 PolarHBondContact O-N 2.8Å; Q490-Q492 VanDerWaalsContact C-N 3.34Å; Q490-Q493 PolarHBondContact O-N 3.38Å; Q490-L494 WeakPolarHBondContact O-CB 3.43Å; Q490-L494 WeakPolarHBondContact O-CG 3.35Å; Q490-L494 PolarHBondContact O-N 2.78Å |
| 491 | I | 96.4 | Very high | 96 | Very high | 91 Ų | 91 | 109 Ų | 109 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 174.8 | -70.5 | 165.1 | 0 | 0 | 0 | 111.1 | L487 M488 G489 R495 | L487-I491 VanDerWaalsContact O-CG1 3.29Å; L487-I491 WeakPolarHBondContact O-CG1 3.42Å; L487-I491 PolarHBondContact O-N 2.92Å; M488-I491 PolarHBondContact O-N 3.08Å; G489-I491 PolarHBondContact O-N 3.29Å; I491-R495 WeakPolarHBondContact O-CB 3.38Å; I491-R495 VanDerWaalsContact O-CG 3.25Å; I491-R495 WeakPolarHBondContact O-CG 3.43Å; I491-R495 PolarHBondContact O-N 2.88Å; I491-R495 VanDerWaalsContact O-N 3.09Å |
| 492 | Q | 97.1 | Very high | 96 | Very high | 109 Ų | 109 | 109.7 Ų | 109.7 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 175 | -73.4 | 175.4 | 4.4 | 0 | 0 | 111.4 | M488 G489 Q490 R495 T496 | M488-Q492 WeakPolarHBondContact O-CG 3.41Å; M488-Q492 PolarHBondContact O-N 2.89Å; G489-Q492 PolarHBondContact O-N 3.39Å; Q490-Q492 VanDerWaalsContact C-N 3.34Å; Q492-R495 WeakPolarHBondContact O-CB 3.45Å; Q492-R495 PolarHBondContact O-N 3.38Å; Q492-T496 PolarHBondContact O-N 2.83Å; Q492-T496 PolarHBondContact O-OG1 3.04Å |
| 493 | Q | 97.2 | Very high | 96.1 | Very high | 109 Ų | 109 | 107 Ų | 107 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 176.2 | -179.7 | 179.4 | -9.1 | 0 | 0 | 112.1 | G489 Q490 R495 T496 E497 | G489-Q493 PolarHBondContact O-N 3.31Å; Q490-Q493 PolarHBondContact O-N 3.38Å; Q493-R495 PolarHBondContact O-N 3.01Å; Q493-T496 WeakPolarHBondContact CA-OG1 3.31Å; Q493-T496 PolarHBondContact O-N 3.38Å; Q493-T496 PolarHBondContact O-OG1 2.83Å; Q493-E497 HydrophobicContact CG-CG 4.39Å; Q493-E497 VanDerWaalsContact CG-OE1 3.3Å; Q493-E497 WeakPolarHBondContact CG-OE1 3.36Å; Q493-E497 PolarHBondContact NE2-OE1 3.49Å; Q493-E497 WeakPolarHBondContact O-CB 3.4Å; Q493-E497 WeakPolarHBondContact O-CG 3.32Å; Q493-E497 PolarHBondContact O-N 2.7Å |
| 494 | L | 95.9 | Very high | 96.2 | Very high | 112 Ų | 112 | 105.8 Ų | 105.8 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64 | -29.6 | 178.1 | -72.4 | 171.3 | 0 | 0 | 0 | 112.5 | Q490 L498 | Q490-L494 WeakPolarHBondContact O-CB 3.43Å; Q490-L494 WeakPolarHBondContact O-CG 3.35Å; Q490-L494 PolarHBondContact O-N 2.78Å; L494-L498 WeakPolarHBondContact O-CB 3.36Å; L494-L498 PolarHBondContact O-N 2.73Å |
| 495 | R | 97.3 | Very high | 96.2 | Very high | 178 Ų | 178 | 106.3 Ų | 106.3 | 67% | 0.672 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.1 | -41.4 | 173.1 | -77.7 | 173.2 | 179.2 | -173.4 | 0.6 | 112.4 | I491 Q492 Q493 Q499 | I491-R495 WeakPolarHBondContact O-CB 3.38Å; I491-R495 VanDerWaalsContact O-CG 3.25Å; I491-R495 WeakPolarHBondContact O-CG 3.43Å; I491-R495 PolarHBondContact O-N 2.88Å; I491-R495 VanDerWaalsContact O-N 3.09Å; Q492-R495 WeakPolarHBondContact O-CB 3.45Å; Q492-R495 PolarHBondContact O-N 3.38Å; Q493-R495 PolarHBondContact O-N 3.01Å; R495-Q499 WeakPolarHBondContact O-CB 3.47Å; R495-Q499 PolarHBondContact O-N 2.89Å |
| 496 | T | 97.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 103.5 Ų | 103.5 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 175.6 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | Q492 Q493 L498 Q499 D500 | Q492-T496 PolarHBondContact O-N 2.83Å; Q492-T496 PolarHBondContact O-OG1 3.04Å; Q493-T496 WeakPolarHBondContact CA-OG1 3.31Å; Q493-T496 PolarHBondContact O-N 3.38Å; Q493-T496 PolarHBondContact O-OG1 2.83Å; T496-L498 VanDerWaalsContact C-N 3.31Å; T496-L498 PolarHBondContact O-N 2.77Å; T496-Q499 PolarHBondContact O-N 2.95Å; T496-D500 WeakPolarHBondContact O-CB 3.41Å; T496-D500 VanDerWaalsContact O-CG 3.27Å; T496-D500 PolarHBondContact O-N 2.65Å |
| 497 | E | 96.6 | Very high | 96.4 | Very high | 86 Ų | 86 | 100.1 Ų | 100.1 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 175.7 | -72.3 | 172.8 | -174 | 0 | 0 | 111.8 | Q493 M501 | Q493-E497 HydrophobicContact CG-CG 4.39Å; Q493-E497 VanDerWaalsContact CG-OE1 3.3Å; Q493-E497 WeakPolarHBondContact CG-OE1 3.36Å; Q493-E497 PolarHBondContact NE2-OE1 3.49Å; Q493-E497 WeakPolarHBondContact O-CB 3.4Å; Q493-E497 WeakPolarHBondContact O-CG 3.32Å; Q493-E497 PolarHBondContact O-N 2.7Å; E497-M501 WeakPolarHBondContact O-CB 3.35Å; E497-M501 WeakPolarHBondContact O-CG 3.4Å; E497-M501 PolarHBondContact O-N 3.33Å |
| 498 | L | 95.4 | Very high | 96.4 | Very high | 103 Ų | 103 | 101 Ų | 101 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 175.9 | -171.8 | 147.8 | 0 | 0 | 0 | 111.9 | L494 T496 M501 E502 | L494-L498 WeakPolarHBondContact O-CB 3.36Å; L494-L498 PolarHBondContact O-N 2.73Å; T496-L498 VanDerWaalsContact C-N 3.31Å; T496-L498 PolarHBondContact O-N 2.77Å; L498-M501 PolarHBondContact O-N 2.98Å; L498-E502 HydrophobicContact CD2-CG 4.19Å; L498-E502 WeakPolarHBondContact CD2-OE1 3.34Å; L498-E502 WeakPolarHBondContact O-CG 3.49Å; L498-E502 PolarHBondContact O-N 2.87Å |
| 499 | Q | 97.5 | Very high | 96.3 | Very high | 118 Ų | 118 | 98 Ų | 98 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -44.2 | 175.4 | -178.1 | 178.4 | -12.9 | 0 | 0 | 111.8 | R495 T496 E502 T503 | R495-Q499 WeakPolarHBondContact O-CB 3.47Å; R495-Q499 PolarHBondContact O-N 2.89Å; T496-Q499 PolarHBondContact O-N 2.95Å; Q499-E502 PolarHBondContact O-N 3Å; Q499-T503 WeakPolarHBondContact O-CG2 3.43Å; Q499-T503 PolarHBondContact O-N 3.49Å; Q499-T503 PolarHBondContact O-OG1 2.91Å |
| 500 | D | 97 | Very high | 96.3 | Very high | 100 Ų | 100 | 101.9 Ų | 101.9 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 177.6 | -69.6 | -20.1 | 0 | 0 | 0 | 110.3 | T496 E502 T503 Q504 | T496-D500 WeakPolarHBondContact O-CB 3.41Å; T496-D500 VanDerWaalsContact O-CG 3.27Å; T496-D500 PolarHBondContact O-N 2.65Å; D500-E502 PolarHBondContact O-N 3.32Å; D500-T503 PolarHBondContact O-N 3.29Å; D500-T503 PolarHBondContact O-OG1 3.44Å; D500-Q504 PolarHBondContact O-N 3.39Å |
| 501 | M | 95.5 | Very high | 96.3 | Very high | 116 Ų | 116 | 100 Ų | 100 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -39.7 | 174.5 | -73.9 | -61.6 | -50.4 | 0 | 0 | 113.2 | E497 L498 Q504 Q505 | E497-M501 WeakPolarHBondContact O-CB 3.35Å; E497-M501 WeakPolarHBondContact O-CG 3.4Å; E497-M501 PolarHBondContact O-N 3.33Å; L498-M501 PolarHBondContact O-N 2.98Å; M501-Q504 PolarHBondContact O-N 3Å; M501-Q505 WeakPolarHBondContact O-CB 3.44Å; M501-Q505 PolarHBondContact O-N 3.39Å |
| 502 | E | 95.6 | Very high | 96 | Very high | 111 Ų | 111 | 97.8 Ų | 97.8 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 173.7 | -77.7 | 179.8 | 163.9 | 0 | 0 | 111.3 | L498 Q499 D500 Q505 V506 | L498-E502 HydrophobicContact CD2-CG 4.19Å; L498-E502 WeakPolarHBondContact CD2-OE1 3.34Å; L498-E502 WeakPolarHBondContact O-CG 3.49Å; L498-E502 PolarHBondContact O-N 2.87Å; Q499-E502 PolarHBondContact O-N 3Å; D500-E502 PolarHBondContact O-N 3.32Å; E502-Q505 PolarHBondContact O-N 3.2Å; E502-V506 WeakPolarHBondContact O-CG2 3.46Å; E502-V506 PolarHBondContact O-N 3.37Å |
| 503 | T | 96.5 | Very high | 96 | Very high | 81 Ų | 81 | 100.7 Ų | 100.7 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 177.8 | 62 | 0 | 0 | 0 | 0 | 112.6 | Q499 D500 V506 S507 | Q499-T503 WeakPolarHBondContact O-CG2 3.43Å; Q499-T503 PolarHBondContact O-N 3.49Å; Q499-T503 PolarHBondContact O-OG1 2.91Å; D500-T503 PolarHBondContact O-N 3.29Å; D500-T503 PolarHBondContact O-OG1 3.44Å; T503-V506 PolarHBondContact O-N 2.92Å; T503-S507 PolarHBondContact O-N 3.43Å |
| 504 | Q | 96.3 | Very high | 96 | Very high | 99 Ų | 99 | 101.3 Ų | 101.3 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 173 | -179 | 177 | -17.5 | 0 | 0 | 110.8 | D500 M501 V506 S507 E508 | D500-Q504 PolarHBondContact O-N 3.39Å; M501-Q504 PolarHBondContact O-N 3Å; Q504-V506 VanDerWaalsContact C-N 3.32Å; Q504-V506 PolarHBondContact O-N 2.96Å; Q504-S507 PolarHBondContact O-N 2.88Å; Q504-E508 HydrophobicContact CG-CG 4.4Å; Q504-E508 WeakPolarHBondContact CG-OE1 3.45Å; Q504-E508 PolarHBondContact NE2-OE1 3.41Å; Q504-E508 WeakPolarHBondContact O-CG 3.23Å; Q504-E508 PolarHBondContact O-N 3.1Å |
| 505 | Q | 93.4 | Very high | 96 | Very high | 139 Ų | 139 | 101.5 Ų | 101.5 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -37.4 | 179.1 | -171 | 177.9 | 23.7 | 0 | 0 | 112.4 | M501 E502 A509 | M501-Q505 WeakPolarHBondContact O-CB 3.44Å; M501-Q505 PolarHBondContact O-N 3.39Å; E502-Q505 PolarHBondContact O-N 3.2Å; Q505-A509 VanDerWaalsContact O-CB 3.28Å; Q505-A509 WeakPolarHBondContact O-CB 3.39Å; Q505-A509 PolarHBondContact O-N 3.19Å |
| 506 | V | 97.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 98.5 Ų | 98.5 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 173.4 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | E502 T503 Q504 E508 A509 E510 | E502-V506 WeakPolarHBondContact O-CG2 3.46Å; E502-V506 PolarHBondContact O-N 3.37Å; T503-V506 PolarHBondContact O-N 2.92Å; Q504-V506 VanDerWaalsContact C-N 3.32Å; Q504-V506 PolarHBondContact O-N 2.96Å; V506-E508 PolarHBondContact O-N 2.97Å; V506-A509 PolarHBondContact O-N 3.49Å; V506-E510 HydrophobicContact CG1-CG 4.47Å; V506-E510 WeakPolarHBondContact O-CG 3.3Å; V506-E510 PolarHBondContact O-N 2.91Å |
| 507 | S | 97 | Very high | 95.8 | Very high | 73 Ų | 73 | 101.3 Ų | 101.3 | 51% | 0.51 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 179.1 | -173.8 | 0 | 0 | 0 | 0 | 112.8 | T503 Q504 A509 E510 S511 | T503-S507 PolarHBondContact O-N 3.43Å; Q504-S507 PolarHBondContact O-N 2.88Å; S507-A509 PolarHBondContact O-N 3.33Å; S507-E510 PolarHBondContact O-N 2.93Å; S507-S511 PolarHBondContact O-N 3.28Å |
| 508 | E | 95.4 | Very high | 95.8 | Very high | 115 Ų | 115 | 101 Ų | 101 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 173.6 | -73 | 177.9 | -168 | 0 | 0 | 111.7 | Q504 V506 A512 | Q504-E508 HydrophobicContact CG-CG 4.4Å; Q504-E508 WeakPolarHBondContact CG-OE1 3.45Å; Q504-E508 PolarHBondContact NE2-OE1 3.41Å; Q504-E508 WeakPolarHBondContact O-CG 3.23Å; Q504-E508 PolarHBondContact O-N 3.1Å; V506-E508 PolarHBondContact O-N 2.97Å; E508-A512 WeakPolarHBondContact O-CB 3.22Å; E508-A512 PolarHBondContact O-N 2.89Å |
| 509 | A | 93.9 | Very high | 95.8 | Very high | 39 Ų | 39 | 100.6 Ų | 100.6 | 32% | 0.322 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -32.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q505 V506 S507 R513 | Q505-A509 VanDerWaalsContact O-CB 3.28Å; Q505-A509 WeakPolarHBondContact O-CB 3.39Å; Q505-A509 PolarHBondContact O-N 3.19Å; V506-A509 PolarHBondContact O-N 3.49Å; S507-A509 PolarHBondContact O-N 3.33Å; A509-R513 VanDerWaalsContact O-CG 3.3Å; A509-R513 WeakPolarHBondContact O-CG 3.37Å; A509-R513 PolarHBondContact O-N 2.94Å; A509-R513 VanDerWaalsContact O-N 3.14Å |
| 510 | E | 97.2 | Very high | 95.7 | Very high | 116 Ų | 116 | 101.9 Ų | 101.9 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.9 | -47.8 | 173.1 | -75 | 177.1 | 170.3 | 0 | 0 | 111.4 | V506 S507 A512 R513 E514 | V506-E510 HydrophobicContact CG1-CG 4.47Å; V506-E510 WeakPolarHBondContact O-CG 3.3Å; V506-E510 PolarHBondContact O-N 2.91Å; S507-E510 PolarHBondContact O-N 2.93Å; E510-A512 VanDerWaalsContact C-N 3.31Å; E510-A512 PolarHBondContact O-N 3.29Å; E510-R513 WeakPolarHBondContact O-CB 3.4Å; E510-R513 PolarHBondContact O-N 3.44Å; E510-E514 PolarHBondContact O-N 2.98Å |
| 511 | S | 95.8 | Very high | 95.7 | Very high | 51 Ų | 51 | 103.2 Ų | 103.2 | 36% | 0.357 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 176 | -171.2 | 0 | 0 | 0 | 0 | 112.3 | S507 R513 E514 Q515 | S507-S511 PolarHBondContact O-N 3.28Å; S511-R513 VanDerWaalsContact C-N 3.33Å; S511-R513 PolarHBondContact O-N 2.91Å; S511-E514 PolarHBondContact O-N 2.68Å; S511-Q515 WeakPolarHBondContact O-CG 3.5Å; S511-Q515 PolarHBondContact O-N 2.83Å |
| 512 | A | 92.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 102.6 Ų | 102.6 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E508 E510 L516 | E508-A512 WeakPolarHBondContact O-CB 3.22Å; E508-A512 PolarHBondContact O-N 2.89Å; E510-A512 VanDerWaalsContact C-N 3.31Å; E510-A512 PolarHBondContact O-N 3.29Å; A512-L516 WeakPolarHBondContact O-CB 3.4Å; A512-L516 VanDerWaalsContact O-CG 3.28Å; A512-L516 WeakPolarHBondContact O-CG 3.44Å; A512-L516 PolarHBondContact O-N 2.91Å; A512-L516 VanDerWaalsContact O-N 3.1Å |
| 513 | R | 96.9 | Very high | 95.6 | Very high | 169 Ų | 169 | 101.7 Ų | 101.7 | 64% | 0.638 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.5 | -42.6 | 173.8 | -78.3 | 174.6 | -177.2 | 130.6 | -0.5 | 112.1 | A509 E510 S511 L516 Q517 | A509-R513 VanDerWaalsContact O-CG 3.3Å; A509-R513 WeakPolarHBondContact O-CG 3.37Å; A509-R513 PolarHBondContact O-N 2.94Å; A509-R513 VanDerWaalsContact O-N 3.14Å; E510-R513 WeakPolarHBondContact O-CB 3.4Å; E510-R513 PolarHBondContact O-N 3.44Å; S511-R513 VanDerWaalsContact C-N 3.33Å; S511-R513 PolarHBondContact O-N 2.91Å; R513-L516 PolarHBondContact O-N 3.35Å; R513-Q517 WeakPolarHBondContact O-CB 3.35Å; R513-Q517 PolarHBondContact O-N 2.9Å |
| 514 | E | 96.8 | Very high | 95.6 | Very high | 122 Ų | 122 | 100.2 Ų | 100.2 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60 | -48.5 | 176.3 | -171.8 | 174.5 | -152 | 0 | 0 | 110.6 | E510 S511 L516 Q517 D518 | E510-E514 PolarHBondContact O-N 2.98Å; S511-E514 PolarHBondContact O-N 2.68Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-L516 PolarHBondContact O-N 2.92Å; E514-Q517 WeakPolarHBondContact O-CB 3.5Å; E514-Q517 PolarHBondContact O-N 3.34Å; E514-Q517 VanDerWaalsContact O-N 3.09Å; E514-D518 PolarHBondContact O-N 3.46Å |
| 515 | Q | 96.1 | Very high | 95.6 | Very high | 116 Ų | 116 | 98.2 Ų | 98.2 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -39 | 175 | -70.2 | 174.6 | 25.7 | 0 | 0 | 113.2 | S511 L519 | S511-Q515 WeakPolarHBondContact O-CG 3.5Å; S511-Q515 PolarHBondContact O-N 2.83Å; Q515-L519 WeakPolarHBondContact O-CB 3.44Å; Q515-L519 VanDerWaalsContact O-CG 3.25Å; Q515-L519 WeakPolarHBondContact O-CG 3.33Å; Q515-L519 PolarHBondContact O-N 3.34Å |
| 516 | L | 93.3 | Very high | 95.5 | Very high | 116 Ų | 116 | 98.2 Ų | 98.2 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.2 | -38.2 | 175 | -77.1 | 170.7 | 0 | 0 | 0 | 112.1 | A512 R513 E514 Q520 | A512-L516 WeakPolarHBondContact O-CB 3.4Å; A512-L516 VanDerWaalsContact O-CG 3.28Å; A512-L516 WeakPolarHBondContact O-CG 3.44Å; A512-L516 PolarHBondContact O-N 2.91Å; A512-L516 VanDerWaalsContact O-N 3.1Å; R513-L516 PolarHBondContact O-N 3.35Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-L516 PolarHBondContact O-N 2.92Å; L516-Q520 VanDerWaalsContact O-CB 3.27Å; L516-Q520 WeakPolarHBondContact O-CB 3.25Å; L516-Q520 PolarHBondContact O-N 3.05Å |
| 517 | Q | 97.1 | Very high | 95.4 | Very high | 131 Ų | 131 | 101.1 Ų | 101.1 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.2 | -47 | 176.1 | -178.1 | 173.1 | -30.8 | 0 | 0 | 111.2 | R513 E514 L519 Q520 E521 | R513-Q517 WeakPolarHBondContact O-CB 3.35Å; R513-Q517 PolarHBondContact O-N 2.9Å; E514-Q517 WeakPolarHBondContact O-CB 3.5Å; E514-Q517 PolarHBondContact O-N 3.34Å; E514-Q517 VanDerWaalsContact O-N 3.09Å; Q517-L519 PolarHBondContact O-N 3.47Å; Q517-Q520 CarbonylContact O-C 3.56Å; Q517-Q520 PolarHBondContact O-N 3.14Å; Q517-Q520 VanDerWaalsContact O-N 3.13Å; Q517-E521 PolarHBondContact O-N 3.44Å |
| 518 | D | 96.6 | Very high | 95.3 | Very high | 80 Ų | 80 | 103.6 Ų | 103.6 | 43% | 0.428 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 175.9 | -82.1 | -0.8 | 0 | 0 | 0 | 112 | E514 Q520 E521 Q522 | E514-D518 PolarHBondContact O-N 3.46Å; D518-Q520 VanDerWaalsContact C-N 3.32Å; D518-Q520 PolarHBondContact O-N 2.73Å; D518-E521 PolarHBondContact O-N 3.4Å; D518-Q522 WeakPolarHBondContact O-CB 3.4Å; D518-Q522 VanDerWaalsContact O-CG 3.23Å; D518-Q522 WeakPolarHBondContact O-CG 3.4Å; D518-Q522 PolarHBondContact O-N 2.94Å; D518-Q522 PolarHBondContact O-NE2 2.96Å |
| 519 | L | 93.9 | Very high | 95.2 | Very high | 95 Ų | 95 | 100.7 Ų | 100.7 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 176.1 | -73.1 | 172.1 | 0 | 0 | 0 | 111.6 | Q515 Q517 I523 | Q515-L519 WeakPolarHBondContact O-CB 3.44Å; Q515-L519 VanDerWaalsContact O-CG 3.25Å; Q515-L519 WeakPolarHBondContact O-CG 3.33Å; Q515-L519 PolarHBondContact O-N 3.34Å; Q517-L519 PolarHBondContact O-N 3.47Å; L519-I523 WeakPolarHBondContact O-CB 2.81Å; L519-I523 WeakPolarHBondContact O-CD1 3.32Å; L519-I523 WeakPolarHBondContact O-CG1 3.45Å; L519-I523 PolarHBondContact O-N 2.83Å |
| 520 | Q | 95.8 | Very high | 95.2 | Very high | 145 Ų | 145 | 104.7 Ų | 104.7 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68 | -39.2 | 176.6 | -176.4 | 170.5 | -25.4 | 0 | 0 | 112.1 | L516 Q517 D518 I523 A524 | L516-Q520 VanDerWaalsContact O-CB 3.27Å; L516-Q520 WeakPolarHBondContact O-CB 3.25Å; L516-Q520 PolarHBondContact O-N 3.05Å; Q517-Q520 CarbonylContact O-C 3.56Å; Q517-Q520 PolarHBondContact O-N 3.14Å; Q517-Q520 VanDerWaalsContact O-N 3.13Å; D518-Q520 VanDerWaalsContact C-N 3.32Å; D518-Q520 PolarHBondContact O-N 2.73Å; Q520-I523 PolarHBondContact O-N 3.48Å; Q520-A524 WeakPolarHBondContact O-CB 3.18Å; Q520-A524 PolarHBondContact O-N 3.31Å |
| 521 | E | 97.3 | Very high | 95.1 | Very high | 127 Ų | 127 | 105.1 Ų | 105.1 | 59% | 0.593 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67 | -44.6 | 173.9 | -175.4 | 168.5 | 171.2 | 0 | 0 | 111.4 | Q517 D518 I523 A524 A525 | Q517-E521 PolarHBondContact O-N 3.44Å; D518-E521 PolarHBondContact O-N 3.4Å; E521-I523 VanDerWaalsContact C-N 3.33Å; E521-I523 PolarHBondContact O-N 2.87Å; E521-A524 WeakPolarHBondContact O-CB 3.39Å; E521-A524 PolarHBondContact O-N 3.45Å; E521-A524 VanDerWaalsContact O-N 3.09Å; E521-A525 WeakPolarHBondContact O-CB 3.36Å; E521-A525 PolarHBondContact O-N 2.91Å |
| 522 | Q | 95.3 | Very high | 95 | Very high | 104 Ų | 104 | 109.7 Ų | 109.7 | 49% | 0.486 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 173.5 | -73.6 | 171.2 | 50.2 | 0 | 0 | 111.8 | D518 A524 A525 H526 | D518-Q522 WeakPolarHBondContact O-CB 3.4Å; D518-Q522 VanDerWaalsContact O-CG 3.23Å; D518-Q522 WeakPolarHBondContact O-CG 3.4Å; D518-Q522 PolarHBondContact O-N 2.94Å; D518-Q522 PolarHBondContact O-NE2 2.96Å; Q522-A524 VanDerWaalsContact C-N 3.33Å; Q522-A524 PolarHBondContact O-N 3.46Å; Q522-A525 PolarHBondContact O-N 2.9Å; Q522-H526 WeakPolarHBondContact O-CB 3.4Å; Q522-H526 PolarHBondContact O-CD2 3.4Å; Q522-H526 PolarHBondContact O-N 2.88Å |
| 523 | I | 94.3 | Very high | 94.7 | Very high | 91 Ų | 91 | 110.5 Ų | 110.5 | 47% | 0.467 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63 | -39.2 | 174.9 | -72.2 | 164.7 | 0 | 0 | 0 | 111.2 | L519 Q520 E521 K527 | L519-I523 WeakPolarHBondContact O-CB 2.81Å; L519-I523 WeakPolarHBondContact O-CD1 3.32Å; L519-I523 WeakPolarHBondContact O-CG1 3.45Å; L519-I523 PolarHBondContact O-N 2.83Å; Q520-I523 PolarHBondContact O-N 3.48Å; E521-I523 VanDerWaalsContact C-N 3.33Å; E521-I523 PolarHBondContact O-N 2.87Å; I523-K527 HydrophobicContact CG2-CD 4.2Å; I523-K527 WeakPolarHBondContact O-CB 3.45Å; I523-K527 VanDerWaalsContact O-CG 3.28Å; I523-K527 WeakPolarHBondContact O-CG 3.46Å; I523-K527 PolarHBondContact O-N 3.07Å |
| 524 | A | 96.6 | Very high | 94.6 | Very high | 50 Ų | 50 | 107.3 Ų | 107.3 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -46.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q520 E521 Q522 H526 K527 M528 | Q520-A524 WeakPolarHBondContact O-CB 3.18Å; Q520-A524 PolarHBondContact O-N 3.31Å; E521-A524 WeakPolarHBondContact O-CB 3.39Å; E521-A524 PolarHBondContact O-N 3.45Å; E521-A524 VanDerWaalsContact O-N 3.09Å; Q522-A524 VanDerWaalsContact C-N 3.33Å; Q522-A524 PolarHBondContact O-N 3.46Å; A524-H526 PolarHBondContact O-N 3.27Å; A524-K527 WeakPolarHBondContact O-CB 3.5Å; A524-K527 PolarHBondContact O-N 2.95Å; A524-M528 WeakPolarHBondContact O-CG 3.48Å; A524-M528 PolarHBondContact O-N 3.45Å |
| 525 | A | 95.1 | Very high | 94.4 | Very high | 58 Ų | 58 | 104.3 Ų | 104.3 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E521 Q522 K527 M528 A529 | E521-A525 WeakPolarHBondContact O-CB 3.36Å; E521-A525 PolarHBondContact O-N 2.91Å; Q522-A525 PolarHBondContact O-N 2.9Å; A525-K527 PolarHBondContact O-N 3.12Å; A525-M528 PolarHBondContact O-N 2.94Å; A525-A529 WeakPolarHBondContact O-CB 3.48Å; A525-A529 PolarHBondContact O-N 3.31Å |
| 526 | H | 91.9 | Very high | 94.3 | Very high | 139 Ų | 139 | 102.2 Ų | 102.2 | 64% | 0.644 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63 | -37.4 | 174.6 | -82 | -60.1 | 0 | 0 | 0 | 113 | Q522 A524 K530 | Q522-H526 WeakPolarHBondContact O-CB 3.4Å; Q522-H526 PolarHBondContact O-CD2 3.4Å; Q522-H526 PolarHBondContact O-N 2.88Å; A524-H526 PolarHBondContact O-N 3.27Å; H526-K530 WeakPolarHBondContact O-CB 3.28Å; H526-K530 PolarHBondContact O-N 3.36Å |
| 527 | K | 94.3 | Very high | 94.2 | Very high | 141 Ų | 141 | 101.1 Ų | 101.1 | 61% | 0.613 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 173.9 | -78.1 | 172.1 | 179.7 | 177.2 | 0 | 112 | I523 A524 A525 K530 Q531 | I523-K527 HydrophobicContact CG2-CD 4.2Å; I523-K527 WeakPolarHBondContact O-CB 3.45Å; I523-K527 VanDerWaalsContact O-CG 3.28Å; I523-K527 WeakPolarHBondContact O-CG 3.46Å; I523-K527 PolarHBondContact O-N 3.07Å; A524-K527 WeakPolarHBondContact O-CB 3.5Å; A524-K527 PolarHBondContact O-N 2.95Å; A525-K527 PolarHBondContact O-N 3.12Å; K527-K530 PolarHBondContact O-N 2.81Å; K527-Q531 WeakPolarHBondContact O-CB 3.35Å; K527-Q531 PolarHBondContact O-N 3.36Å |
| 528 | M | 96.8 | Very high | 94.2 | Very high | 124 Ų | 124 | 98.8 Ų | 98.8 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -48.8 | 177.4 | -69.9 | -59.4 | -62.4 | 0 | 0 | 111.6 | A524 A525 K530 Q531 E532 | A524-M528 WeakPolarHBondContact O-CG 3.48Å; A524-M528 PolarHBondContact O-N 3.45Å; A525-M528 PolarHBondContact O-N 2.94Å; M528-K530 VanDerWaalsContact C-N 3.29Å; M528-K530 PolarHBondContact O-N 2.8Å; M528-Q531 PolarHBondContact O-N 3.46Å; M528-Q531 VanDerWaalsContact O-N 3.12Å; M528-E532 PolarHBondContact O-N 3.14Å |
| 529 | A | 91.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 100 Ų | 100 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A525 A533 | A525-A529 WeakPolarHBondContact O-CB 3.48Å; A525-A529 PolarHBondContact O-N 3.31Å; A529-A533 WeakPolarHBondContact O-CB 3.4Å; A529-A533 PolarHBondContact O-N 3.08Å; A529-A533 VanDerWaalsContact O-N 3.07Å |
| 530 | K | 93.5 | Very high | 94 | Very high | 124 Ų | 124 | 100.1 Ų | 100.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 172.1 | -178 | -170.5 | 165.1 | -168.5 | 0 | 111.2 | H526 K527 M528 E532 A533 E534 | H526-K530 WeakPolarHBondContact O-CB 3.28Å; H526-K530 PolarHBondContact O-N 3.36Å; K527-K530 PolarHBondContact O-N 2.81Å; M528-K530 VanDerWaalsContact C-N 3.29Å; M528-K530 PolarHBondContact O-N 2.8Å; K530-E532 VanDerWaalsContact C-N 3.33Å; K530-E532 PolarHBondContact O-N 2.95Å; K530-A533 PolarHBondContact O-N 2.92Å; K530-E534 WeakPolarHBondContact CE-OE1 3.46Å; K530-E534 WeakPolarHBondContact CE-OE2 3.47Å; K530-E534 HydrophobicContact CG-CG 4.49Å; K530-E534 IonicContact NZ-OE1 2.95Å; K530-E534 PolarHBondContact NZ-OE1 3.25Å; K530-E534 VanDerWaalsContact NZ-OE1 3.17Å; K530-E534 WeakPolarHBondContact O-CG 3.43Å; K530-E534 PolarHBondContact O-N 3.45Å |
| 531 | Q | 95.9 | Very high | 94 | Very high | 124 Ų | 124 | 98.2 Ų | 98.2 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.7 | -38.1 | -179 | -176.3 | 177.3 | -7.4 | 0 | 0 | 112.1 | K527 M528 E534 A535 | K527-Q531 WeakPolarHBondContact O-CB 3.35Å; K527-Q531 PolarHBondContact O-N 3.36Å; M528-Q531 PolarHBondContact O-N 3.46Å; M528-Q531 VanDerWaalsContact O-N 3.12Å; Q531-E534 PolarHBondContact O-N 2.83Å; Q531-A535 WeakPolarHBondContact O-CB 3.45Å; Q531-A535 PolarHBondContact O-N 2.87Å |
| 532 | E | 92.9 | Very high | 94 | Very high | 148 Ų | 148 | 98 Ų | 98 | 69% | 0.692 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 173.9 | -173.8 | 175.9 | -170.8 | 0 | 0 | 111.5 | M528 K530 A535 E536 | M528-E532 PolarHBondContact O-N 3.14Å; K530-E532 VanDerWaalsContact C-N 3.33Å; K530-E532 PolarHBondContact O-N 2.95Å; E532-A535 PolarHBondContact O-N 2.83Å; E532-E536 PolarHBondContact O-N 3.17Å |
| 533 | A | 87.2 | Confident | 93.9 | Very high | 63 Ų | 63 | 97.6 Ų | 97.6 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | A529 K530 L537 | A529-A533 WeakPolarHBondContact O-CB 3.4Å; A529-A533 PolarHBondContact O-N 3.08Å; A529-A533 VanDerWaalsContact O-N 3.07Å; K530-A533 PolarHBondContact O-N 2.92Å; A533-L537 VanDerWaalsContact O-CB 3.3Å; A533-L537 WeakPolarHBondContact O-CB 3.33Å; A533-L537 PolarHBondContact O-N 2.96Å |
| 534 | E | 93.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 97.8 Ų | 97.8 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 173.7 | -76 | 177.9 | 154.4 | 0 | 0 | 111.6 | K530 Q531 E538 | K530-E534 WeakPolarHBondContact CE-OE1 3.46Å; K530-E534 WeakPolarHBondContact CE-OE2 3.47Å; K530-E534 HydrophobicContact CG-CG 4.49Å; K530-E534 IonicContact NZ-OE1 2.95Å; K530-E534 PolarHBondContact NZ-OE1 3.25Å; K530-E534 VanDerWaalsContact NZ-OE1 3.17Å; K530-E534 WeakPolarHBondContact O-CG 3.43Å; K530-E534 PolarHBondContact O-N 3.45Å; Q531-E534 PolarHBondContact O-N 2.83Å; E534-E538 PolarHBondContact O-N 3.45Å; E534-E538 VanDerWaalsContact O-N 3.08Å |
| 535 | A | 94.4 | Very high | 93.9 | Very high | 60 Ų | 60 | 100.5 Ų | 100.5 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q531 E532 E538 R539 | Q531-A535 WeakPolarHBondContact O-CB 3.45Å; Q531-A535 PolarHBondContact O-N 2.87Å; E532-A535 PolarHBondContact O-N 2.83Å; A535-E538 PolarHBondContact O-N 3.38Å; A535-R539 PolarHBondContact O-N 2.88Å |
| 536 | E | 94.1 | Very high | 94 | Very high | 72 Ų | 72 | 104.7 Ų | 104.7 | 34% | 0.336 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -38.5 | 175.8 | 178.4 | 55.1 | -154.3 | 0 | 0 | 111.8 | E532 E538 R539 Q540 | E532-E536 PolarHBondContact O-N 3.17Å; E536-E538 VanDerWaalsContact C-N 3.32Å; E536-E538 PolarHBondContact O-N 3.03Å; E536-R539 WeakPolarHBondContact O-CB 3.49Å; E536-R539 PolarHBondContact O-N 3.47Å; E536-R539 IonicContact OE1-CZ 3.42Å; E536-R539 IonicContact OE1-NE 3.63Å; E536-R539 PolarHBondContact OE1-NE 3.09Å; E536-R539 IonicContact OE1-NH2 3.22Å; E536-R539 PolarHBondContact OE1-NH2 3.41Å; E536-R539 IonicContact OE2-CZ 2.57Å; E536-R539 IonicContact OE2-NE 3.3Å; E536-R539 PolarHBondContact OE2-NE 2.96Å; E536-R539 IonicContact OE2-NH2 2.64Å; E536-Q540 WeakPolarHBondContact O-CG 3.4Å; E536-Q540 PolarHBondContact O-N 3.49Å; E536-Q540 WeakPolarHBondContact OE1-CG 3.42Å; E536-Q540 PolarHBondContact OE1-NE2 2.86Å |
| 537 | L | 91.1 | Very high | 94.1 | Very high | 92 Ų | 92 | 101.6 Ų | 101.6 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 172.5 | 176.4 | 63.9 | 0 | 0 | 0 | 111.5 | A533 Q540 K541 | A533-L537 VanDerWaalsContact O-CB 3.3Å; A533-L537 WeakPolarHBondContact O-CB 3.33Å; A533-L537 PolarHBondContact O-N 2.96Å; L537-Q540 PolarHBondContact O-N 3.13Å; L537-K541 WeakPolarHBondContact O-CG 3.47Å; L537-K541 PolarHBondContact O-N 2.93Å |
| 538 | E | 95.6 | Very high | 94.2 | Very high | 83 Ų | 83 | 99.4 Ų | 99.4 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.1 | -36.9 | 178.4 | -163.4 | 57 | -148.2 | 0 | 0 | 112 | E534 A535 E536 K541 Q542 | E534-E538 PolarHBondContact O-N 3.45Å; E534-E538 VanDerWaalsContact O-N 3.08Å; A535-E538 PolarHBondContact O-N 3.38Å; E536-E538 VanDerWaalsContact C-N 3.32Å; E536-E538 PolarHBondContact O-N 3.03Å; E538-K541 PolarHBondContact O-N 2.99Å; E538-K541 WeakPolarHBondContact OE2-CD 3.43Å; E538-K541 IonicContact OE2-NZ 3.72Å; E538-K541 PolarHBondContact OE2-NZ 2.83Å; E538-Q542 WeakPolarHBondContact O-CG 3.32Å; E538-Q542 PolarHBondContact O-N 2.95Å; E538-Q542 VanDerWaalsContact O-N 3.1Å |
| 539 | R | 95.6 | Very high | 94.2 | Very high | 106 Ų | 106 | 96.9 Ų | 96.9 | 40% | 0.4 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 171.1 | -162.5 | -171.8 | 74.2 | 66.8 | 22.2 | 111.2 | A535 E536 K541 Q542 E543 | A535-R539 PolarHBondContact O-N 2.88Å; E536-R539 WeakPolarHBondContact O-CB 3.49Å; E536-R539 PolarHBondContact O-N 3.47Å; E536-R539 IonicContact OE1-CZ 3.42Å; E536-R539 IonicContact OE1-NE 3.63Å; E536-R539 PolarHBondContact OE1-NE 3.09Å; E536-R539 IonicContact OE1-NH2 3.22Å; E536-R539 PolarHBondContact OE1-NH2 3.41Å; E536-R539 IonicContact OE2-CZ 2.57Å; E536-R539 IonicContact OE2-NE 3.3Å; E536-R539 PolarHBondContact OE2-NE 2.96Å; E536-R539 IonicContact OE2-NH2 2.64Å; R539-K541 PolarHBondContact O-N 3.09Å; R539-Q542 PolarHBondContact O-N 3.02Å; R539-E543 IonicContact CZ-OE1 2.67Å; R539-E543 IonicContact CZ-OE2 3.64Å; R539-E543 VanDerWaalsContact CZ-OE2 3.3Å; R539-E543 IonicContact NH1-OE1 3.46Å; R539-E543 PolarHBondContact NH1-OE1 3.4Å; R539-E543 IonicContact NH1-OE2 2.65Å; R539-E543 PolarHBondContact NH1-OE2 3.46Å; R539-E543 IonicContact NH2-OE1 3.98Å; R539-E543 IonicContact NH2-OE2 3.07Å; R539-E543 PolarHBondContact NH2-OE2 2.94Å; R539-E543 PolarHBondContact O-N 3.05Å |
| 540 | Q | 91.2 | Very high | 94.4 | Very high | 97 Ų | 97 | 98 Ų | 98 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 178.8 | -72 | 176.5 | 16.5 | 0 | 0 | 112.9 | E536 L537 Q542 E543 L544 | E536-Q540 WeakPolarHBondContact O-CG 3.4Å; E536-Q540 PolarHBondContact O-N 3.49Å; E536-Q540 WeakPolarHBondContact OE1-CG 3.42Å; E536-Q540 PolarHBondContact OE1-NE2 2.86Å; L537-Q540 PolarHBondContact O-N 3.13Å; Q540-Q542 VanDerWaalsContact C-N 3.34Å; Q540-E543 PolarHBondContact O-N 3.01Å; Q540-L544 VanDerWaalsContact O-CB 3.31Å; Q540-L544 WeakPolarHBondContact O-CB 3.28Å; Q540-L544 PolarHBondContact O-N 3.19Å |
| 541 | K | 95.4 | Very high | 94.5 | Very high | 104 Ų | 104 | 97.7 Ų | 97.7 | 45% | 0.452 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 172 | -72.2 | 178.7 | -157 | 154.4 | 0 | 112.2 | L537 E538 R539 L544 H545 | L537-K541 WeakPolarHBondContact O-CG 3.47Å; L537-K541 PolarHBondContact O-N 2.93Å; E538-K541 PolarHBondContact O-N 2.99Å; E538-K541 WeakPolarHBondContact OE2-CD 3.43Å; E538-K541 IonicContact OE2-NZ 3.72Å; E538-K541 PolarHBondContact OE2-NZ 2.83Å; R539-K541 PolarHBondContact O-N 3.09Å; K541-L544 PolarHBondContact O-N 3.22Å; K541-H545 WeakPolarHBondContact O-CB 3.41Å; K541-H545 PolarHBondContact O-N 2.97Å |
| 542 | Q | 97 | Very high | 94.6 | Very high | 124 Ų | 124 | 98.8 Ų | 98.8 | 58% | 0.579 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.4 | -40.6 | 178.3 | -69.3 | 172.4 | 18.7 | 0 | 0 | 111.6 | E538 R539 Q540 Y546 | E538-Q542 WeakPolarHBondContact O-CG 3.32Å; E538-Q542 PolarHBondContact O-N 2.95Å; E538-Q542 VanDerWaalsContact O-N 3.1Å; R539-Q542 PolarHBondContact O-N 3.02Å; Q540-Q542 VanDerWaalsContact C-N 3.34Å; Q542-Y546 WeakPolarHBondContact O-CB 3.3Å; Q542-Y546 PolarHBondContact O-N 2.86Å |
| 543 | E | 95.1 | Very high | 94.8 | Very high | 95 Ų | 95 | 97 Ų | 97 | 44% | 0.444 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 172.1 | -71.1 | -175.5 | 141.6 | 0 | 0 | 111.6 | R539 Q540 Y546 T547 | R539-E543 IonicContact CZ-OE1 2.67Å; R539-E543 IonicContact CZ-OE2 3.64Å; R539-E543 VanDerWaalsContact CZ-OE2 3.3Å; R539-E543 IonicContact NH1-OE1 3.46Å; R539-E543 PolarHBondContact NH1-OE1 3.4Å; R539-E543 IonicContact NH1-OE2 2.65Å; R539-E543 PolarHBondContact NH1-OE2 3.46Å; R539-E543 IonicContact NH2-OE1 3.98Å; R539-E543 IonicContact NH2-OE2 3.07Å; R539-E543 PolarHBondContact NH2-OE2 2.94Å; R539-E543 PolarHBondContact O-N 3.05Å; Q540-E543 PolarHBondContact O-N 3.01Å; E543-Y546 PolarHBondContact O-N 3.42Å; E543-T547 WeakPolarHBondContact O-CG2 3.43Å; E543-T547 PolarHBondContact O-N 3.43Å; E543-T547 PolarHBondContact O-OG1 2.81Å |
| 544 | L | 92.2 | Very high | 95.2 | Very high | 94 Ų | 94 | 96.8 Ų | 96.8 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.2 | -52.2 | 176.6 | -173 | 156.6 | 0 | 0 | 0 | 110.6 | Q540 K541 Y546 T547 E548 | Q540-L544 VanDerWaalsContact O-CB 3.31Å; Q540-L544 WeakPolarHBondContact O-CB 3.28Å; Q540-L544 PolarHBondContact O-N 3.19Å; K541-L544 PolarHBondContact O-N 3.22Å; L544-Y546 VanDerWaalsContact C-N 3.31Å; L544-Y546 PolarHBondContact O-N 3.27Å; L544-T547 PolarHBondContact O-N 3.23Å; L544-T547 VanDerWaalsContact O-N 3.08Å; L544-T547 PolarHBondContact O-OG1 2.78Å; L544-E548 VanDerWaalsContact CD2-CD 3.45Å; L544-E548 HydrophobicContact CD2-CG 3.87Å; L544-E548 PolarHBondContact O-N 3.26Å |
| 545 | H | 97.2 | Very high | 95.4 | Very high | 107 Ų | 107 | 97.9 Ų | 97.9 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.1 | -42.3 | 177.9 | -173 | -85.4 | 0 | 0 | 0 | 112.2 | K541 E548 E549 | K541-H545 WeakPolarHBondContact O-CB 3.41Å; K541-H545 PolarHBondContact O-N 2.97Å; H545-E548 PolarHBondContact O-N 3.1Å; H545-E549 IonicContact CE1-OE1 2.67Å; H545-E549 PolarHBondContact CE1-OE1 2.88Å; H545-E549 IonicContact ND1-OE1 2.81Å; H545-E549 WeakPolarHBondContact O-CG 3.27Å; H545-E549 PolarHBondContact O-N 3.39Å |
| 546 | Y | 97.5 | Very high | 95.6 | Very high | 146 Ų | 146 | 99.7 Ų | 99.7 | 57% | 0.573 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 175.4 | 179.7 | -101.4 | 0 | 0 | 0 | 112.3 | Q542 E543 L544 E549 E550 | Q542-Y546 WeakPolarHBondContact O-CB 3.3Å; Q542-Y546 PolarHBondContact O-N 2.86Å; E543-Y546 PolarHBondContact O-N 3.42Å; L544-Y546 VanDerWaalsContact C-N 3.31Å; L544-Y546 PolarHBondContact O-N 3.27Å; Y546-E549 PolarHBondContact O-N 2.95Å; Y546-E550 WeakPolarHBondContact O-CB 3.41Å; Y546-E550 PolarHBondContact O-N 2.89Å |
| 547 | T | 94.7 | Very high | 95.8 | Very high | 75 Ų | 75 | 100.3 Ų | 100.3 | 46% | 0.46 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 176.1 | 60.6 | 0 | 0 | 0 | 0 | 113 | E543 L544 E550 L551 | E543-T547 WeakPolarHBondContact O-CG2 3.43Å; E543-T547 PolarHBondContact O-N 3.43Å; E543-T547 PolarHBondContact O-OG1 2.81Å; L544-T547 PolarHBondContact O-N 3.23Å; L544-T547 VanDerWaalsContact O-N 3.08Å; L544-T547 PolarHBondContact O-OG1 2.78Å; T547-E550 PolarHBondContact O-N 3.4Å; T547-L551 WeakPolarHBondContact O-CB 3.44Å; T547-L551 VanDerWaalsContact O-CG 3.28Å; T547-L551 WeakPolarHBondContact O-CG 3.42Å; T547-L551 PolarHBondContact O-N 2.94Å |
| 548 | E | 95.4 | Very high | 96 | Very high | 94 Ų | 94 | 100.9 Ų | 100.9 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -48.8 | 173 | -74.7 | -170.5 | 150.6 | 0 | 0 | 111 | L544 H545 E550 L551 Y552 | L544-E548 VanDerWaalsContact CD2-CD 3.45Å; L544-E548 HydrophobicContact CD2-CG 3.87Å; L544-E548 PolarHBondContact O-N 3.26Å; H545-E548 PolarHBondContact O-N 3.1Å; E548-E550 VanDerWaalsContact C-N 3.28Å; E548-E550 PolarHBondContact O-N 3.33Å; E548-L551 PolarHBondContact O-N 3.19Å; E548-Y552 WeakPolarHBondContact O-CD2 3.47Å; E548-Y552 PolarHBondContact O-N 2.98Å |
| 549 | E | 96.9 | Very high | 96.1 | Very high | 72 Ų | 72 | 102.6 Ų | 102.6 | 34% | 0.336 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55 | -43.9 | 174.1 | -78.5 | -169.1 | 168.5 | 0 | 0 | 112 | H545 Y546 Y552 R553 | H545-E549 IonicContact CE1-OE1 2.67Å; H545-E549 PolarHBondContact CE1-OE1 2.88Å; H545-E549 IonicContact ND1-OE1 2.81Å; H545-E549 WeakPolarHBondContact O-CG 3.27Å; H545-E549 PolarHBondContact O-N 3.39Å; Y546-E549 PolarHBondContact O-N 2.95Å; E549-Y552 PolarHBondContact O-N 3.32Å; E549-R553 WeakPolarHBondContact O-CG 3.45Å; E549-R553 PolarHBondContact O-N 3.49Å; E549-R553 IonicContact OE2-CZ 2.89Å; E549-R553 IonicContact OE2-NH1 2.77Å; E549-R553 IonicContact OE2-NH2 3.41Å; E549-R553 PolarHBondContact OE2-NH2 3.5Å |
| 550 | E | 96.4 | Very high | 96.2 | Very high | 76 Ų | 76 | 100.5 Ų | 100.5 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.7 | -35.7 | -179.8 | -163.7 | 56.2 | -151.1 | 0 | 0 | 112.2 | Y546 T547 E548 R553 T554 | Y546-E550 WeakPolarHBondContact O-CB 3.41Å; Y546-E550 PolarHBondContact O-N 2.89Å; T547-E550 PolarHBondContact O-N 3.4Å; E548-E550 VanDerWaalsContact C-N 3.28Å; E548-E550 PolarHBondContact O-N 3.33Å; E550-R553 PolarHBondContact O-N 3.5Å; E550-R553 WeakPolarHBondContact OE2-CD 3.3Å; E550-R553 IonicContact OE2-CZ 3.17Å; E550-R553 IonicContact OE2-NH1 3.72Å; E550-R553 PolarHBondContact OE2-NH1 3.2Å; E550-T554 WeakPolarHBondContact O-CB 3.39Å; E550-T554 VanDerWaalsContact O-CG2 3.32Å; E550-T554 WeakPolarHBondContact O-CG2 3.47Å; E550-T554 PolarHBondContact O-N 3.37Å; E550-T554 PolarHBondContact O-OG1 3.46Å |
| 551 | L | 95.6 | Very high | 96.5 | Very high | 118 Ų | 118 | 104.1 Ų | 104.1 | 62% | 0.618 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -38.8 | 168.9 | -73.7 | 171.1 | 0 | 0 | 0 | 111.9 | T547 E548 T554 K555 | T547-L551 WeakPolarHBondContact O-CB 3.44Å; T547-L551 VanDerWaalsContact O-CG 3.28Å; T547-L551 WeakPolarHBondContact O-CG 3.42Å; T547-L551 PolarHBondContact O-N 2.94Å; E548-L551 PolarHBondContact O-N 3.19Å; L551-T554 WeakPolarHBondContact CA-OG1 3.22Å; L551-T554 PolarHBondContact O-OG1 3.06Å; L551-T554 VanDerWaalsContact O-OG1 3.12Å; L551-K555 WeakPolarHBondContact O-CB 3.37Å; L551-K555 PolarHBondContact O-N 3.14Å |
| 552 | Y | 97.6 | Very high | 96.5 | Very high | 148 Ų | 148 | 103.8 Ų | 103.8 | 58% | 0.58 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.3 | -42.6 | 173.3 | -79.7 | -67.6 | 0 | 0 | 0 | 112.1 | E548 E549 N556 | E548-Y552 WeakPolarHBondContact O-CD2 3.47Å; E548-Y552 PolarHBondContact O-N 2.98Å; E549-Y552 PolarHBondContact O-N 3.32Å; Y552-N556 WeakPolarHBondContact O-CB 3.35Å; Y552-N556 PolarHBondContact O-N 2.87Å; Y552-N556 PolarHBondContact O-ND2 2.96Å |
| 553 | R | 97.6 | Very high | 96.6 | Very high | 110 Ų | 110 | 103.3 Ų | 103.3 | 42% | 0.415 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 175.6 | -72.2 | 180 | -164.3 | 110.6 | 12 | 112 | E549 E550 N556 T557 | E549-R553 WeakPolarHBondContact O-CG 3.45Å; E549-R553 PolarHBondContact O-N 3.49Å; E549-R553 IonicContact OE2-CZ 2.89Å; E549-R553 IonicContact OE2-NH1 2.77Å; E549-R553 IonicContact OE2-NH2 3.41Å; E549-R553 PolarHBondContact OE2-NH2 3.5Å; E550-R553 PolarHBondContact O-N 3.5Å; E550-R553 WeakPolarHBondContact OE2-CD 3.3Å; E550-R553 IonicContact OE2-CZ 3.17Å; E550-R553 IonicContact OE2-NH1 3.72Å; E550-R553 PolarHBondContact OE2-NH1 3.2Å; R553-N556 PolarHBondContact O-N 3.37Å; R553-T557 WeakPolarHBondContact O-CB 3.49Å; R553-T557 PolarHBondContact O-N 2.9Å; R553-T557 PolarHBondContact O-OG1 2.67Å |
| 554 | T | 95.9 | Very high | 96.7 | Very high | 59 Ų | 59 | 102.7 Ų | 102.7 | 36% | 0.362 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 179.6 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | E550 L551 T557 L558 | E550-T554 WeakPolarHBondContact O-CB 3.39Å; E550-T554 VanDerWaalsContact O-CG2 3.32Å; E550-T554 WeakPolarHBondContact O-CG2 3.47Å; E550-T554 PolarHBondContact O-N 3.37Å; E550-T554 PolarHBondContact O-OG1 3.46Å; L551-T554 WeakPolarHBondContact CA-OG1 3.22Å; L551-T554 PolarHBondContact O-OG1 3.06Å; L551-T554 VanDerWaalsContact O-OG1 3.12Å; T554-T557 PolarHBondContact O-N 2.94Å; T554-L558 WeakPolarHBondContact O-CG 3.39Å; T554-L558 PolarHBondContact O-N 3.37Å |
| 555 | K | 97.8 | Very high | 96.9 | Very high | 124 Ų | 124 | 106.1 Ų | 106.1 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.3 | -49.1 | 171.9 | 178.9 | -178.6 | 175.4 | -177.9 | 0 | 112 | L551 T557 L558 Q559 | L551-K555 WeakPolarHBondContact O-CB 3.37Å; L551-K555 PolarHBondContact O-N 3.14Å; K555-T557 VanDerWaalsContact C-N 3.31Å; K555-T557 PolarHBondContact O-N 3.45Å; K555-L558 PolarHBondContact O-N 2.9Å; K555-Q559 VanDerWaalsContact O-CB 3.29Å; K555-Q559 WeakPolarHBondContact O-CB 3.28Å; K555-Q559 PolarHBondContact O-N 3.26Å |
| 556 | N | 97.4 | Very high | 96.9 | Very high | 98 Ų | 98 | 106.7 Ų | 106.7 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 178.7 | -72.5 | -10.3 | 0 | 0 | 0 | 111.7 | Y552 R553 Q559 S560 | Y552-N556 WeakPolarHBondContact O-CB 3.35Å; Y552-N556 PolarHBondContact O-N 2.87Å; Y552-N556 PolarHBondContact O-ND2 2.96Å; R553-N556 PolarHBondContact O-N 3.37Å; N556-Q559 PolarHBondContact O-N 3.46Å; N556-S560 PolarHBondContact O-N 3.47Å |
| 557 | T | 97.9 | Very high | 96.9 | Very high | 84 Ų | 84 | 103.3 Ų | 103.3 | 52% | 0.515 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | R553 T554 K555 S560 R561 | R553-T557 WeakPolarHBondContact O-CB 3.49Å; R553-T557 PolarHBondContact O-N 2.9Å; R553-T557 PolarHBondContact O-OG1 2.67Å; T554-T557 PolarHBondContact O-N 2.94Å; K555-T557 VanDerWaalsContact C-N 3.31Å; K555-T557 PolarHBondContact O-N 3.45Å; T557-S560 PolarHBondContact O-N 3.06Å; T557-R561 PolarHBondContact O-N 2.92Å |
| 558 | L | 96.4 | Very high | 97 | Very high | 105 Ų | 105 | 104.6 Ų | 104.6 | 55% | 0.55 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 175.5 | -69.9 | 174.2 | 0 | 0 | 0 | 111.6 | T554 K555 R561 I562 | T554-L558 WeakPolarHBondContact O-CG 3.39Å; T554-L558 PolarHBondContact O-N 3.37Å; K555-L558 PolarHBondContact O-N 2.9Å; L558-R561 PolarHBondContact O-N 3.29Å; L558-I562 VanDerWaalsContact O-CG1 3.31Å; L558-I562 WeakPolarHBondContact O-CG1 3.4Å; L558-I562 PolarHBondContact O-N 2.86Å |
| 559 | Q | 97.7 | Very high | 97 | Very high | 118 Ų | 118 | 103.9 Ų | 103.9 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -37.7 | 176.8 | -173 | 170.3 | -12.1 | 0 | 0 | 112 | K555 N556 I562 K563 | K555-Q559 VanDerWaalsContact O-CB 3.29Å; K555-Q559 WeakPolarHBondContact O-CB 3.28Å; K555-Q559 PolarHBondContact O-N 3.26Å; N556-Q559 PolarHBondContact O-N 3.46Å; Q559-I562 PolarHBondContact O-N 2.97Å; Q559-K563 PolarHBondContact O-N 3.28Å |
| 560 | S | 97.2 | Very high | 96.9 | Very high | 62 Ų | 62 | 104.9 Ų | 104.9 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -50.6 | 170 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | N556 T557 I562 K563 D564 | N556-S560 PolarHBondContact O-N 3.47Å; T557-S560 PolarHBondContact O-N 3.06Å; S560-I562 VanDerWaalsContact C-N 3.29Å; S560-I562 PolarHBondContact O-N 2.75Å; S560-K563 CarbonylContact O-C 3.57Å; S560-K563 WeakPolarHBondContact O-CA 3.37Å; S560-K563 WeakPolarHBondContact O-CB 3.29Å; S560-K563 PolarHBondContact O-N 2.88Å; S560-D564 PolarHBondContact O-N 3.46Å; S560-D564 VanDerWaalsContact O-OD2 3.11Å |
| 561 | R | 97.6 | Very high | 96.9 | Very high | 173 Ų | 173 | 107.1 Ų | 107.1 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.7 | -37.4 | 178 | -79.8 | -179.9 | 151.6 | -169.1 | -7 | 113.4 | T557 L558 R565 | T557-R561 PolarHBondContact O-N 2.92Å; L558-R561 PolarHBondContact O-N 3.29Å; R561-R565 WeakPolarHBondContact O-CB 3.48Å; R561-R565 VanDerWaalsContact O-CG 3.26Å; R561-R565 WeakPolarHBondContact O-CG 3.27Å; R561-R565 PolarHBondContact O-N 2.91Å; R561-R565 VanDerWaalsContact O-N 3.1Å |
| 562 | I | 96.2 | Very high | 96.8 | Very high | 98 Ų | 98 | 106 Ų | 106 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -49.6 | 173.9 | -71.2 | 164.6 | 0 | 0 | 0 | 109.6 | L558 Q559 S560 D564 R565 E566 | L558-I562 VanDerWaalsContact O-CG1 3.31Å; L558-I562 WeakPolarHBondContact O-CG1 3.4Å; L558-I562 PolarHBondContact O-N 2.86Å; Q559-I562 PolarHBondContact O-N 2.97Å; S560-I562 VanDerWaalsContact C-N 3.29Å; S560-I562 PolarHBondContact O-N 2.75Å; I562-D564 VanDerWaalsContact C-N 3.34Å; I562-D564 PolarHBondContact O-N 2.84Å; I562-R565 CarbonylContact O-C 3.59Å; I562-R565 PolarHBondContact O-N 3Å; I562-R565 VanDerWaalsContact O-N 3.14Å; I562-E566 HydrophobicContact CG2-CG 4.29Å; I562-E566 WeakPolarHBondContact O-CG 3.49Å; I562-E566 PolarHBondContact O-N 3.44Å |
| 563 | K | 97.8 | Very high | 96.5 | Very high | 114 Ų | 114 | 106.2 Ų | 106.2 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 176.8 | -178 | 177.1 | 178.4 | -77.3 | 0 | 112.4 | Q559 S560 R565 E566 E567 | Q559-K563 PolarHBondContact O-N 3.28Å; S560-K563 CarbonylContact O-C 3.57Å; S560-K563 WeakPolarHBondContact O-CA 3.37Å; S560-K563 WeakPolarHBondContact O-CB 3.29Å; S560-K563 PolarHBondContact O-N 2.88Å; K563-R565 VanDerWaalsContact C-N 3.29Å; K563-R565 PolarHBondContact O-N 3.38Å; K563-E566 PolarHBondContact O-N 3.24Å; K563-E567 IonicContact NZ-OE1 2.73Å; K563-E567 PolarHBondContact NZ-OE1 2.82Å; K563-E567 WeakPolarHBondContact O-CG 3.4Å; K563-E567 PolarHBondContact O-N 3.21Å |
| 564 | D | 97.5 | Very high | 96.2 | Very high | 82 Ų | 82 | 104.8 Ų | 104.8 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 177.6 | -58.8 | -33.3 | 0 | 0 | 0 | 111.2 | S560 I562 E568 | S560-D564 PolarHBondContact O-N 3.46Å; S560-D564 VanDerWaalsContact O-OD2 3.11Å; I562-D564 VanDerWaalsContact C-N 3.34Å; I562-D564 PolarHBondContact O-N 2.84Å; D564-E568 WeakPolarHBondContact O-CB 3.34Å; D564-E568 PolarHBondContact O-N 2.95Å |
| 565 | R | 95.8 | Very high | 95.9 | Very high | 166 Ų | 166 | 107.4 Ų | 107.4 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -73.6 | -34.3 | 175.7 | -68.7 | -69.1 | 174.6 | 82.1 | -3 | 113.1 | R561 I562 K563 E568 I569 | R561-R565 WeakPolarHBondContact O-CB 3.48Å; R561-R565 VanDerWaalsContact O-CG 3.26Å; R561-R565 WeakPolarHBondContact O-CG 3.27Å; R561-R565 PolarHBondContact O-N 2.91Å; R561-R565 VanDerWaalsContact O-N 3.1Å; I562-R565 CarbonylContact O-C 3.59Å; I562-R565 PolarHBondContact O-N 3Å; I562-R565 VanDerWaalsContact O-N 3.14Å; K563-R565 VanDerWaalsContact C-N 3.29Å; K563-R565 PolarHBondContact O-N 3.38Å; R565-E568 WeakPolarHBondContact CD-OE2 3.43Å; R565-E568 IonicContact NE-OE2 2.66Å; R565-E568 PolarHBondContact O-N 3.27Å; R565-I569 WeakPolarHBondContact O-CB 3.38Å; R565-I569 WeakPolarHBondContact O-CD1 3.43Å; R565-I569 WeakPolarHBondContact O-CG1 3.48Å; R565-I569 PolarHBondContact O-N 2.94Å |
| 566 | E | 97.3 | Very high | 95.1 | Very high | 119 Ų | 119 | 107.7 Ų | 107.7 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 171.2 | -73.5 | 174.2 | 166.5 | 0 | 0 | 111 | I562 K563 I569 Q570 | I562-E566 HydrophobicContact CG2-CG 4.29Å; I562-E566 WeakPolarHBondContact O-CG 3.49Å; I562-E566 PolarHBondContact O-N 3.44Å; K563-E566 PolarHBondContact O-N 3.24Å; E566-I569 PolarHBondContact O-N 3.33Å; E566-Q570 VanDerWaalsContact O-CB 3.3Å; E566-Q570 WeakPolarHBondContact O-CB 3.48Å; E566-Q570 PolarHBondContact O-N 2.93Å |
| 567 | E | 97.3 | Very high | 94.4 | Very high | 75 Ų | 75 | 106.7 Ų | 106.7 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 173 | -74.7 | -176.1 | -155.8 | 0 | 0 | 112.4 | K563 Q570 K571 | K563-E567 IonicContact NZ-OE1 2.73Å; K563-E567 PolarHBondContact NZ-OE1 2.82Å; K563-E567 WeakPolarHBondContact O-CG 3.4Å; K563-E567 PolarHBondContact O-N 3.21Å; E567-Q570 PolarHBondContact O-N 2.81Å; E567-K571 WeakPolarHBondContact O-CB 3.38Å; E567-K571 WeakPolarHBondContact O-CD 3.44Å; E567-K571 VanDerWaalsContact O-CG 3.23Å; E567-K571 WeakPolarHBondContact O-CG 3.28Å; E567-K571 PolarHBondContact O-N 2.9Å; E567-K571 IonicContact OE2-NZ 2.68Å |
| 568 | E | 96.9 | Very high | 93.4 | Very high | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 173.6 | -175.4 | 174.2 | -153.6 | 0 | 0 | 111.8 | D564 R565 Q570 K571 L572 | D564-E568 WeakPolarHBondContact O-CB 3.34Å; D564-E568 PolarHBondContact O-N 2.95Å; R565-E568 WeakPolarHBondContact CD-OE2 3.43Å; R565-E568 IonicContact NE-OE2 2.66Å; R565-E568 PolarHBondContact O-N 3.27Å; E568-Q570 VanDerWaalsContact C-N 3.27Å; E568-Q570 PolarHBondContact O-N 3.33Å; E568-K571 WeakPolarHBondContact O-CB 3.17Å; E568-K571 PolarHBondContact O-N 3.3Å; E568-K571 VanDerWaalsContact O-N 3.17Å; E568-L572 HydrophobicContact CG-CD1 4.28Å; E568-L572 WeakPolarHBondContact O-CG 3.25Å; E568-L572 PolarHBondContact O-N 3.01Å |
| 569 | I | 95.3 | Very high | 92.6 | Very high | 80 Ų | 80 | 108.2 Ų | 108.2 | 41% | 0.41 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 173.8 | -71.7 | 164.3 | 0 | 0 | 0 | 110.5 | R565 E566 L572 R573 | R565-I569 WeakPolarHBondContact O-CB 3.38Å; R565-I569 WeakPolarHBondContact O-CD1 3.43Å; R565-I569 WeakPolarHBondContact O-CG1 3.48Å; R565-I569 PolarHBondContact O-N 2.94Å; E566-I569 PolarHBondContact O-N 3.33Å; I569-L572 PolarHBondContact O-N 3.01Å; I569-R573 HydrophobicContact CG2-CG 4.43Å; I569-R573 WeakPolarHBondContact O-CB 3.44Å; I569-R573 VanDerWaalsContact O-CG 3.29Å; I569-R573 WeakPolarHBondContact O-CG 3.33Å; I569-R573 PolarHBondContact O-N 2.97Å |
| 570 | Q | 96.1 | Very high | 91.1 | Very high | 92 Ų | 92 | 106.3 Ų | 106.3 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 177.6 | -165.8 | 66.6 | 1.3 | 0 | 0 | 111.8 | E566 E567 E568 R573 N574 | E566-Q570 VanDerWaalsContact O-CB 3.3Å; E566-Q570 WeakPolarHBondContact O-CB 3.48Å; E566-Q570 PolarHBondContact O-N 2.93Å; E567-Q570 PolarHBondContact O-N 2.81Å; E568-Q570 VanDerWaalsContact C-N 3.27Å; E568-Q570 PolarHBondContact O-N 3.33Å; Q570-R573 PolarHBondContact O-N 3.19Å; Q570-N574 VanDerWaalsContact O-CB 3.29Å; Q570-N574 WeakPolarHBondContact O-CB 3.2Å; Q570-N574 PolarHBondContact O-N 3.34Å; Q570-N574 PolarHBondContact O-OD1 3.43Å |
| 571 | K | 95.8 | Very high | 89.5 | Confident | 123 Ų | 123 | 110 Ų | 110 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 170.5 | -74.4 | 161.2 | -172.5 | 160.1 | 0 | 111 | E567 E568 N574 Q575 | E567-K571 WeakPolarHBondContact O-CB 3.38Å; E567-K571 WeakPolarHBondContact O-CD 3.44Å; E567-K571 VanDerWaalsContact O-CG 3.23Å; E567-K571 WeakPolarHBondContact O-CG 3.28Å; E567-K571 PolarHBondContact O-N 2.9Å; E567-K571 IonicContact OE2-NZ 2.68Å; E568-K571 WeakPolarHBondContact O-CB 3.17Å; E568-K571 PolarHBondContact O-N 3.3Å; E568-K571 VanDerWaalsContact O-N 3.17Å; K571-N574 PolarHBondContact O-N 3.47Å; K571-Q575 WeakPolarHBondContact O-CB 3.45Å; K571-Q575 VanDerWaalsContact O-CG 3.29Å; K571-Q575 WeakPolarHBondContact O-CG 3.36Å; K571-Q575 PolarHBondContact O-N 3.42Å |
| 572 | L | 94.1 | Very high | 87.4 | Confident | 96 Ų | 96 | 105.5 Ų | 105.5 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 177.3 | -70.6 | 172 | 0 | 0 | 0 | 112.1 | E568 I569 Q575 L576 | E568-L572 HydrophobicContact CG-CD1 4.28Å; E568-L572 WeakPolarHBondContact O-CG 3.25Å; E568-L572 PolarHBondContact O-N 3.01Å; I569-L572 PolarHBondContact O-N 3.01Å; L572-Q575 PolarHBondContact O-N 3.12Å; L572-L576 WeakPolarHBondContact O-CB 3.37Å; L572-L576 PolarHBondContact O-N 3.44Å |
| 573 | R | 91.7 | Very high | 85.4 | Confident | 152 Ų | 152 | 105.8 Ų | 105.8 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.2 | -43.3 | 172.6 | -77 | 173.1 | 177.1 | 162 | 0.1 | 111.9 | I569 Q570 L576 T577 | I569-R573 HydrophobicContact CG2-CG 4.43Å; I569-R573 WeakPolarHBondContact O-CB 3.44Å; I569-R573 VanDerWaalsContact O-CG 3.29Å; I569-R573 WeakPolarHBondContact O-CG 3.33Å; I569-R573 PolarHBondContact O-N 2.97Å; Q570-R573 PolarHBondContact O-N 3.19Å; R573-L576 PolarHBondContact O-N 2.91Å; R573-T577 VanDerWaalsContact O-CB 3.31Å; R573-T577 WeakPolarHBondContact O-CB 3.32Å; R573-T577 PolarHBondContact O-N 3.47Å; R573-T577 PolarHBondContact O-OG1 3.11Å |
| 574 | N | 90.3 | Very high | 83.3 | Confident | 80 Ų | 80 | 102.6 Ų | 102.6 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 175.9 | -73 | -5.2 | 0 | 0 | 0 | 110.9 | Q570 K571 N578 | Q570-N574 VanDerWaalsContact O-CB 3.29Å; Q570-N574 WeakPolarHBondContact O-CB 3.2Å; Q570-N574 PolarHBondContact O-N 3.34Å; Q570-N574 PolarHBondContact O-OD1 3.43Å; K571-N574 PolarHBondContact O-N 3.47Å; N574-N578 WeakPolarHBondContact O-CA 3.48Å; N574-N578 WeakPolarHBondContact O-CB 3.45Å; N574-N578 PolarHBondContact O-N 3.41Å; N574-N578 PolarHBondContact O-ND2 3.03Å |
| 575 | Q | 89.8 | Confident | 81.4 | Confident | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 172.5 | -75.5 | 175.9 | 8.9 | 0 | 0 | 112.3 | K571 L572 K579 | K571-Q575 WeakPolarHBondContact O-CB 3.45Å; K571-Q575 VanDerWaalsContact O-CG 3.29Å; K571-Q575 WeakPolarHBondContact O-CG 3.36Å; K571-Q575 PolarHBondContact O-N 3.42Å; L572-Q575 PolarHBondContact O-N 3.12Å; Q575-K579 VanDerWaalsContact O-CB 3.25Å; Q575-K579 WeakPolarHBondContact O-CB 3.44Å; Q575-K579 VanDerWaalsContact O-CG 3.3Å; Q575-K579 WeakPolarHBondContact O-CG 3.49Å; Q575-K579 PolarHBondContact O-N 3.34Å |
| 576 | L | 80.8 | Confident | 79.7 | Confident | 131 Ų | 131 | 101.3 Ų | 101.3 | 69% | 0.686 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.2 | -45.1 | 177.3 | -151.5 | 85 | 0 | 0 | 0 | 110.8 | L572 R573 K579 A580 | L572-L576 WeakPolarHBondContact O-CB 3.37Å; L572-L576 PolarHBondContact O-N 3.44Å; R573-L576 PolarHBondContact O-N 2.91Å; L576-K579 PolarHBondContact O-N 3.12Å; L576-A580 WeakPolarHBondContact O-CB 3.45Å; L576-A580 PolarHBondContact O-N 3.35Å |
| 577 | T | 83.6 | Confident | 78.3 | Confident | 76 Ų | 76 | 99 Ų | 99 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 174.7 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | R573 K579 A580 L581 | R573-T577 VanDerWaalsContact O-CB 3.31Å; R573-T577 WeakPolarHBondContact O-CB 3.32Å; R573-T577 PolarHBondContact O-N 3.47Å; R573-T577 PolarHBondContact O-OG1 3.11Å; T577-K579 VanDerWaalsContact C-N 3.34Å; T577-K579 PolarHBondContact O-N 2.9Å; T577-A580 PolarHBondContact O-N 2.69Å; T577-L581 HydrophobicContact CG2-CD1 3.96Å; T577-L581 WeakPolarHBondContact O-CB 3.43Å; T577-L581 VanDerWaalsContact O-CG 3.3Å; T577-L581 WeakPolarHBondContact O-CG 3.36Å; T577-L581 PolarHBondContact O-N 3.26Å |
| 578 | N | 77.3 | Confident | 76.8 | Confident | 92 Ų | 92 | 99.7 Ų | 99.7 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -34.3 | 177 | -74.3 | -11.8 | 0 | 0 | 0 | 111.7 | N574 L581 S582 | N574-N578 WeakPolarHBondContact O-CA 3.48Å; N574-N578 WeakPolarHBondContact O-CB 3.45Å; N574-N578 PolarHBondContact O-N 3.41Å; N574-N578 PolarHBondContact O-ND2 3.03Å; N578-L581 PolarHBondContact O-N 2.94Å; N578-S582 WeakPolarHBondContact O-CA 3.43Å; N578-S582 WeakPolarHBondContact O-CB 3.28Å; N578-S582 PolarHBondContact O-N 3.2Å; N578-S582 PolarHBondContact O-OG 2.91Å |
| 579 | K | 77.9 | Confident | 75.6 | Confident | 129 Ų | 129 | 100.3 Ų | 100.3 | 56% | 0.561 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.5 | -35.7 | 173.3 | -81.8 | -176 | 169.1 | -170.2 | 0 | 112.8 | Q575 L576 T577 S582 S583 | Q575-K579 VanDerWaalsContact O-CB 3.25Å; Q575-K579 WeakPolarHBondContact O-CB 3.44Å; Q575-K579 VanDerWaalsContact O-CG 3.3Å; Q575-K579 WeakPolarHBondContact O-CG 3.49Å; Q575-K579 PolarHBondContact O-N 3.34Å; L576-K579 PolarHBondContact O-N 3.12Å; T577-K579 VanDerWaalsContact C-N 3.34Å; T577-K579 PolarHBondContact O-N 2.9Å; K579-S582 CarbonylContact O-C 3.57Å; K579-S582 VanDerWaalsContact O-C 3.26Å; K579-S582 PolarHBondContact O-N 2.88Å; K579-S583 PolarHBondContact O-N 2.84Å |
| 580 | A | 67.7 | Low | 74.7 | Confident | 79 Ų | 79 | 101.1 Ų | 101.1 | 65% | 0.653 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L576 T577 | L576-A580 WeakPolarHBondContact O-CB 3.45Å; L576-A580 PolarHBondContact O-N 3.35Å; T577-A580 PolarHBondContact O-N 2.69Å |
| 581 | L | 63.1 | Low | 73.8 | Confident | 140 Ų | 140 | 101.7 Ų | 101.7 | 73% | 0.733 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.5 | -34.3 | 174 | -67.9 | 168.5 | 0 | 0 | 0 | 112.4 | T577 N578 S583 | T577-L581 HydrophobicContact CG2-CD1 3.96Å; T577-L581 WeakPolarHBondContact O-CB 3.43Å; T577-L581 VanDerWaalsContact O-CG 3.3Å; T577-L581 WeakPolarHBondContact O-CG 3.36Å; T577-L581 PolarHBondContact O-N 3.26Å; N578-L581 PolarHBondContact O-N 2.94Å; L581-S583 VanDerWaalsContact C-N 3.3Å; L581-S583 PolarHBondContact O-N 3.4Å |
| 582 | S | 54.4 | Low | 73.1 | Confident | 77 Ų | 77 | 104 Ų | 104 | 54% | 0.538 | 55% | 0.551 | S | S | . | * | trans | -96.4 | 54.3 | 179.1 | -45.4 | 0 | 0 | 0 | 0 | 109.9 | N578 K579 S584 | N578-S582 WeakPolarHBondContact O-CA 3.43Å; N578-S582 WeakPolarHBondContact O-CB 3.28Å; N578-S582 PolarHBondContact O-N 3.2Å; N578-S582 PolarHBondContact O-OG 2.91Å; K579-S582 CarbonylContact O-C 3.57Å; K579-S582 VanDerWaalsContact O-C 3.26Å; K579-S582 PolarHBondContact O-N 2.88Å; S582-S584 PolarHBondContact O-N 2.91Å | ||
| 583 | S | 52.2 | Low | 72.5 | Confident | 104 Ų | 104 | 104.3 Ų | 104.3 | 73% | 0.727 | 55% | 0.553 | S | S | * | * | trans | -68.9 | 47.3 | 164.8 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | K579 L581 S585 | K579-S583 PolarHBondContact O-N 2.84Å; L581-S583 VanDerWaalsContact C-N 3.3Å; L581-S583 PolarHBondContact O-N 3.4Å; S583-S585 VanDerWaalsContact C-N 3.33Å; S583-S585 PolarHBondContact O-N 2.95Å | ||
| 584 | S | 54.4 | Low | 72.1 | Confident | 48 Ų | 48 | 103.9 Ų | 103.9 | 34% | 0.336 | 56% | 0.557 | S | S | . | * | trans | -93.6 | 70 | 167 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | S582 Q586 T587 | S582-S584 PolarHBondContact O-N 2.91Å; S584-Q586 PolarHBondContact O-N 3.28Å; S584-T587 WeakPolarHBondContact CB-OG1 3.48Å; S584-T587 PolarHBondContact O-N 3.31Å; S584-T587 PolarHBondContact O-OG1 2.84Å; S584-T587 WeakPolarHBondContact OG-CG2 3.28Å; S584-T587 PolarHBondContact OG-N 3.19Å; S584-T587 PolarHBondContact OG-OG1 3.03Å | ||
| 585 | S | 58.1 | Low | 71.9 | Confident | 91 Ų | 91 | 106.1 Ų | 106.1 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.8 | -17.7 | 173.1 | 51 | 0 | 0 | 0 | 0 | 112.6 | S583 L589 | S583-S585 VanDerWaalsContact C-N 3.33Å; S583-S585 PolarHBondContact O-N 2.95Å; S585-L589 WeakPolarHBondContact O-CB 3.49Å |
| 586 | Q | 59.7 | Low | 71.8 | Confident | 130 Ų | 130 | 106.7 Ų | 106.7 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.7 | -49.7 | 177.7 | -175.9 | 168.7 | -14.9 | 0 | 0 | 112.8 | S584 E588 L589 E590 | S584-Q586 PolarHBondContact O-N 3.28Å; Q586-E588 PolarHBondContact O-N 3.24Å; Q586-L589 WeakPolarHBondContact O-CB 3.48Å; Q586-L589 PolarHBondContact O-N 2.97Å; Q586-L589 VanDerWaalsContact O-N 3.08Å; Q586-E590 VanDerWaalsContact CG-OE1 3.24Å; Q586-E590 WeakPolarHBondContact CG-OE1 3.46Å; Q586-E590 PolarHBondContact NE2-OE1 3.09Å; Q586-E590 WeakPolarHBondContact O-CG 3.48Å; Q586-E590 PolarHBondContact O-N 3.48Å |
| 587 | T | 68.8 | Low | 72.1 | Confident | 69 Ų | 69 | 103.5 Ų | 103.5 | 42% | 0.423 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.5 | -31.6 | -177.6 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | S584 L589 N591 | S584-T587 WeakPolarHBondContact CB-OG1 3.48Å; S584-T587 PolarHBondContact O-N 3.31Å; S584-T587 PolarHBondContact O-OG1 2.84Å; S584-T587 WeakPolarHBondContact OG-CG2 3.28Å; S584-T587 PolarHBondContact OG-N 3.19Å; S584-T587 PolarHBondContact OG-OG1 3.03Å; T587-L589 VanDerWaalsContact C-N 3.28Å; T587-L589 PolarHBondContact O-N 3.49Å; T587-N591 VanDerWaalsContact O-CB 3.32Å; T587-N591 WeakPolarHBondContact O-CB 3.23Å; T587-N591 PolarHBondContact O-N 3.43Å; T587-N591 PolarHBondContact O-ND2 3.37Å |
| 588 | E | 65.3 | Low | 72.5 | Confident | 90 Ų | 90 | 106.4 Ų | 106.4 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.9 | -30.2 | 170.2 | -73.5 | -163 | 165.5 | 0 | 0 | 112.2 | Q586 R592 | Q586-E588 PolarHBondContact O-N 3.24Å; E588-R592 WeakPolarHBondContact O-CB 3.47Å; E588-R592 WeakPolarHBondContact O-CG 3.4Å; E588-R592 PolarHBondContact O-N 2.86Å; E588-R592 VanDerWaalsContact O-N 3.08Å |
| 589 | L | 71.6 | Confident | 73 | Confident | 115 Ų | 115 | 105.1 Ų | 105.1 | 60% | 0.602 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -77.2 | -44.1 | 179.2 | -143.4 | 135.3 | 0 | 0 | 0 | 110.9 | S585 Q586 T587 R592 L593 | S585-L589 WeakPolarHBondContact O-CB 3.49Å; Q586-L589 WeakPolarHBondContact O-CB 3.48Å; Q586-L589 PolarHBondContact O-N 2.97Å; Q586-L589 VanDerWaalsContact O-N 3.08Å; T587-L589 VanDerWaalsContact C-N 3.28Å; T587-L589 PolarHBondContact O-N 3.49Å; L589-R592 PolarHBondContact O-N 3.37Å; L589-L593 WeakPolarHBondContact O-CB 3.35Å; L589-L593 PolarHBondContact O-N 2.88Å |
| 590 | E | 75.4 | Confident | 73.7 | Confident | 96 Ų | 96 | 104.2 Ų | 104.2 | 45% | 0.449 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.3 | -45.8 | 173.6 | -71.7 | 167.1 | -175.1 | 0 | 0 | 111.4 | Q586 L593 H594 | Q586-E590 VanDerWaalsContact CG-OE1 3.24Å; Q586-E590 WeakPolarHBondContact CG-OE1 3.46Å; Q586-E590 PolarHBondContact NE2-OE1 3.09Å; Q586-E590 WeakPolarHBondContact O-CG 3.48Å; Q586-E590 PolarHBondContact O-N 3.48Å; E590-L593 PolarHBondContact O-N 2.91Å; E590-H594 PolarHBondContact O-N 3.21Å |
| 591 | N | 78.3 | Confident | 74.8 | Confident | 105 Ų | 105 | 105.3 Ų | 105.3 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 176.2 | -78.1 | -24.6 | 0 | 0 | 0 | 113.1 | T587 L593 H594 Q595 | T587-N591 VanDerWaalsContact O-CB 3.32Å; T587-N591 WeakPolarHBondContact O-CB 3.23Å; T587-N591 PolarHBondContact O-N 3.43Å; T587-N591 PolarHBondContact O-ND2 3.37Å; N591-L593 VanDerWaalsContact C-N 3.34Å; N591-H594 PolarHBondContact O-N 2.91Å; N591-Q595 WeakPolarHBondContact O-CB 3.43Å; N591-Q595 WeakPolarHBondContact O-CG 3.44Å; N591-Q595 PolarHBondContact O-N 3.24Å |
| 592 | R | 80.8 | Confident | 76.1 | Confident | 170 Ų | 170 | 105.4 Ų | 105.4 | 64% | 0.642 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -40.6 | 172.6 | -84 | 179.7 | 174.4 | 141.8 | 1.1 | 111.8 | E588 L589 Q595 L596 | E588-R592 WeakPolarHBondContact O-CB 3.47Å; E588-R592 WeakPolarHBondContact O-CG 3.4Å; E588-R592 PolarHBondContact O-N 2.86Å; E588-R592 VanDerWaalsContact O-N 3.08Å; L589-R592 PolarHBondContact O-N 3.37Å; R592-Q595 PolarHBondContact O-N 3.29Å; R592-L596 VanDerWaalsContact O-CB 3.23Å; R592-L596 WeakPolarHBondContact O-CB 3.31Å; R592-L596 PolarHBondContact O-N 2.96Å |
| 593 | L | 80.9 | Confident | 77.9 | Confident | 104 Ų | 104 | 108.3 Ų | 108.3 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -47.1 | 178.2 | -159.1 | 161.7 | 0 | 0 | 0 | 109.8 | L589 E590 N591 L596 T597 | L589-L593 WeakPolarHBondContact O-CB 3.35Å; L589-L593 PolarHBondContact O-N 2.88Å; E590-L593 PolarHBondContact O-N 2.91Å; N591-L593 VanDerWaalsContact C-N 3.34Å; L593-L596 PolarHBondContact O-N 3.2Å; L593-T597 WeakPolarHBondContact O-CB 3.23Å; L593-T597 PolarHBondContact O-N 3.46Å; L593-T597 PolarHBondContact O-OG1 3.27Å |
| 594 | H | 84.8 | Confident | 79.6 | Confident | 143 Ų | 143 | 108.1 Ų | 108.1 | 66% | 0.662 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.8 | -51.4 | 173 | -103.5 | 40 | 0 | 0 | 0 | 113.1 | E590 N591 L596 T597 E598 | E590-H594 PolarHBondContact O-N 3.21Å; N591-H594 PolarHBondContact O-N 2.91Å; H594-L596 VanDerWaalsContact C-N 3.3Å; H594-L596 PolarHBondContact O-N 3.47Å; H594-T597 PolarHBondContact O-N 2.74Å; H594-E598 WeakPolarHBondContact O-CB 3.45Å; H594-E598 PolarHBondContact O-N 2.88Å |
| 595 | Q | 86.3 | Confident | 81.4 | Confident | 126 Ų | 126 | 109.7 Ų | 109.7 | 59% | 0.589 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60 | -38.7 | 178.5 | -76.7 | -179.8 | -10.3 | 0 | 0 | 112.7 | N591 R592 E598 T599 | N591-Q595 WeakPolarHBondContact O-CB 3.43Å; N591-Q595 WeakPolarHBondContact O-CG 3.44Å; N591-Q595 PolarHBondContact O-N 3.24Å; R592-Q595 PolarHBondContact O-N 3.29Å; Q595-E598 PolarHBondContact O-N 3.34Å; Q595-T599 WeakPolarHBondContact O-CB 3.23Å; Q595-T599 PolarHBondContact O-N 3.23Å; Q595-T599 PolarHBondContact O-OG1 3.45Å |
| 596 | L | 85.9 | Confident | 82.8 | Confident | 125 Ų | 125 | 110.9 Ų | 110.9 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.9 | -37 | -179.8 | -152 | 156.3 | 0 | 0 | 0 | 110.9 | R592 L593 H594 L600 | R592-L596 VanDerWaalsContact O-CB 3.23Å; R592-L596 WeakPolarHBondContact O-CB 3.31Å; R592-L596 PolarHBondContact O-N 2.96Å; L593-L596 PolarHBondContact O-N 3.2Å; H594-L596 VanDerWaalsContact C-N 3.3Å; H594-L596 PolarHBondContact O-N 3.47Å; L596-L600 WeakPolarHBondContact O-CB 3.34Å; L596-L600 PolarHBondContact O-N 3.42Å |
| 597 | T | 88.3 | Confident | 84.3 | Confident | 65 Ų | 65 | 110 Ų | 110 | 40% | 0.399 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 169.9 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | L593 H594 L600 I601 | L593-T597 WeakPolarHBondContact O-CB 3.23Å; L593-T597 PolarHBondContact O-N 3.46Å; L593-T597 PolarHBondContact O-OG1 3.27Å; H594-T597 PolarHBondContact O-N 2.74Å; T597-L600 WeakPolarHBondContact O-CB 3.4Å; T597-L600 PolarHBondContact O-N 2.84Å; T597-I601 HydrophobicContact CG2-CD1 3.98Å; T597-I601 VanDerWaalsContact O-CG1 3.3Å; T597-I601 WeakPolarHBondContact O-CG1 3.3Å; T597-I601 PolarHBondContact O-N 3.12Å |
| 598 | E | 90.6 | Very high | 85.4 | Confident | 136 Ų | 136 | 112 Ų | 112 | 64% | 0.636 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.7 | -44.2 | 178.2 | -173.5 | 172.3 | -164.6 | 0 | 0 | 111.7 | H594 Q595 L600 I601 Q602 | H594-E598 WeakPolarHBondContact O-CB 3.45Å; H594-E598 PolarHBondContact O-N 2.88Å; Q595-E598 PolarHBondContact O-N 3.34Å; E598-L600 VanDerWaalsContact C-N 3.31Å; E598-L600 PolarHBondContact O-N 3.39Å; E598-I601 PolarHBondContact O-N 2.89Å; E598-Q602 WeakPolarHBondContact O-CB 3.38Å; E598-Q602 PolarHBondContact O-N 3.47Å |
| 599 | T | 89.5 | Confident | 86.6 | Confident | 66 Ų | 66 | 110.5 Ų | 110.5 | 41% | 0.405 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 175.1 | -50.1 | 0 | 0 | 0 | 0 | 111.6 | Q595 K603 | Q595-T599 WeakPolarHBondContact O-CB 3.23Å; Q595-T599 PolarHBondContact O-N 3.23Å; Q595-T599 PolarHBondContact O-OG1 3.45Å; T599-K603 WeakPolarHBondContact O-CB 3.33Å; T599-K603 WeakPolarHBondContact O-CG 3.41Å; T599-K603 PolarHBondContact O-N 3.07Å |
| 600 | L | 91.3 | Very high | 87.3 | Confident | 109 Ų | 109 | 108.8 Ų | 108.8 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.4 | -47 | 175.3 | -178.9 | 66 | 0 | 0 | 0 | 110.8 | L596 T597 E598 K603 Q604 | L596-L600 WeakPolarHBondContact O-CB 3.34Å; L596-L600 PolarHBondContact O-N 3.42Å; T597-L600 WeakPolarHBondContact O-CB 3.4Å; T597-L600 PolarHBondContact O-N 2.84Å; E598-L600 VanDerWaalsContact C-N 3.31Å; E598-L600 PolarHBondContact O-N 3.39Å; L600-K603 PolarHBondContact O-N 3.28Å; L600-Q604 WeakPolarHBondContact O-CB 3.29Å; L600-Q604 PolarHBondContact O-N 2.92Å |
| 601 | I | 90.9 | Very high | 87.8 | Confident | 103 Ų | 103 | 107.1 Ų | 107.1 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.2 | -48 | 174.8 | -68.6 | 163.9 | 0 | 0 | 0 | 110.1 | T597 E598 K603 Q604 T605 | T597-I601 HydrophobicContact CG2-CD1 3.98Å; T597-I601 VanDerWaalsContact O-CG1 3.3Å; T597-I601 WeakPolarHBondContact O-CG1 3.3Å; T597-I601 PolarHBondContact O-N 3.12Å; E598-I601 PolarHBondContact O-N 2.89Å; I601-K603 VanDerWaalsContact C-N 3.33Å; I601-K603 PolarHBondContact O-N 3.31Å; I601-Q604 WeakPolarHBondContact O-CB 3.5Å; I601-Q604 PolarHBondContact O-N 3.44Å; I601-Q604 VanDerWaalsContact O-N 3.11Å; I601-T605 PolarHBondContact O-N 2.89Å; I601-T605 PolarHBondContact O-OG1 2.82Å; I601-T605 VanDerWaalsContact O-OG1 3.1Å |
| 602 | Q | 91.4 | Very high | 88.4 | Confident | 141 Ų | 141 | 106.5 Ų | 106.5 | 66% | 0.659 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -40.3 | -179.9 | -165.5 | 179.2 | 33.1 | 0 | 0 | 112.2 | E598 M606 | E598-Q602 WeakPolarHBondContact O-CB 3.38Å; E598-Q602 PolarHBondContact O-N 3.47Å; Q602-M606 WeakPolarHBondContact O-CB 3.42Å; Q602-M606 PolarHBondContact O-N 2.92Å |
| 603 | K | 91.1 | Very high | 88.8 | Confident | 138 Ų | 138 | 103.4 Ų | 103.4 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.8 | -36.2 | 173.1 | -77.6 | -171.2 | 174.8 | -171.3 | 0 | 112.9 | T599 L600 I601 M606 L607 | T599-K603 WeakPolarHBondContact O-CB 3.33Å; T599-K603 WeakPolarHBondContact O-CG 3.41Å; T599-K603 PolarHBondContact O-N 3.07Å; L600-K603 PolarHBondContact O-N 3.28Å; I601-K603 VanDerWaalsContact C-N 3.33Å; I601-K603 PolarHBondContact O-N 3.31Å; K603-M606 PolarHBondContact O-N 2.8Å; K603-L607 WeakPolarHBondContact O-CB 3.35Å; K603-L607 WeakPolarHBondContact O-CG 3.25Å; K603-L607 PolarHBondContact O-N 3.5Å |
| 604 | Q | 88.3 | Confident | 89.2 | Confident | 100 Ų | 100 | 105.3 Ų | 105.3 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 174.9 | -168.5 | 72.9 | 19.1 | 0 | 0 | 110.2 | L600 I601 M606 L607 E608 | L600-Q604 WeakPolarHBondContact O-CB 3.29Å; L600-Q604 PolarHBondContact O-N 2.92Å; I601-Q604 WeakPolarHBondContact O-CB 3.5Å; I601-Q604 PolarHBondContact O-N 3.44Å; I601-Q604 VanDerWaalsContact O-N 3.11Å; Q604-M606 VanDerWaalsContact C-N 3.34Å; Q604-M606 PolarHBondContact O-N 3.16Å; Q604-L607 PolarHBondContact O-N 2.94Å; Q604-E608 WeakPolarHBondContact O-CG 3.18Å; Q604-E608 PolarHBondContact O-N 3.05Å |
| 605 | T | 91.4 | Very high | 89.4 | Confident | 81 Ų | 81 | 102.3 Ų | 102.3 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 175.4 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | I601 E608 S609 | I601-T605 PolarHBondContact O-N 2.89Å; I601-T605 PolarHBondContact O-OG1 2.82Å; I601-T605 VanDerWaalsContact O-OG1 3.1Å; T605-E608 PolarHBondContact O-N 3.14Å; T605-S609 PolarHBondContact O-N 2.95Å; T605-S609 PolarHBondContact O-OG 3.21Å |
| 606 | M | 88.3 | Confident | 89.5 | Confident | 116 Ų | 116 | 98.7 Ų | 98.7 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69 | -34.9 | 176.4 | -171.4 | 179.4 | -175.7 | 0 | 0 | 112.6 | Q602 K603 Q604 S609 L610 | Q602-M606 WeakPolarHBondContact O-CB 3.42Å; Q602-M606 PolarHBondContact O-N 2.92Å; K603-M606 PolarHBondContact O-N 2.8Å; Q604-M606 VanDerWaalsContact C-N 3.34Å; Q604-M606 PolarHBondContact O-N 3.16Å; M606-S609 WeakPolarHBondContact CA-OG 3.43Å; M606-S609 PolarHBondContact O-OG 2.76Å; M606-L610 HydrophobicContact CE-CD1 4.2Å; M606-L610 HydrophobicContact CG-CD1 4.08Å; M606-L610 VanDerWaalsContact O-CB 3.3Å; M606-L610 WeakPolarHBondContact O-CB 3.41Å; M606-L610 VanDerWaalsContact O-CG 3.26Å; M606-L610 WeakPolarHBondContact O-CG 3.41Å; M606-L610 PolarHBondContact O-N 3.39Å |
| 607 | L | 90.9 | Very high | 89.4 | Confident | 112 Ų | 112 | 96.6 Ų | 96.6 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69 | -37.6 | 172.6 | -78.7 | 170.1 | 0 | 0 | 0 | 111.5 | K603 Q604 S611 | K603-L607 WeakPolarHBondContact O-CB 3.35Å; K603-L607 WeakPolarHBondContact O-CG 3.25Å; K603-L607 PolarHBondContact O-N 3.5Å; Q604-L607 PolarHBondContact O-N 2.94Å; L607-S611 WeakPolarHBondContact O-CB 3.26Å; L607-S611 PolarHBondContact O-N 3.45Å |
| 608 | E | 91.5 | Very high | 89.4 | Confident | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 174 | -73.3 | 168.2 | -166.1 | 0 | 0 | 111.6 | Q604 T605 S611 T612 | Q604-E608 WeakPolarHBondContact O-CG 3.18Å; Q604-E608 PolarHBondContact O-N 3.05Å; T605-E608 PolarHBondContact O-N 3.14Å; E608-S611 PolarHBondContact O-N 3.17Å; E608-T612 WeakPolarHBondContact O-CG2 3.48Å; E608-T612 PolarHBondContact O-N 3.32Å; E608-T612 PolarHBondContact O-OG1 3.11Å |
| 609 | S | 90.4 | Very high | 89.3 | Confident | 59 Ų | 59 | 98.3 Ų | 98.3 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 174.1 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | T605 M606 S611 T612 E613 | T605-S609 PolarHBondContact O-N 2.95Å; T605-S609 PolarHBondContact O-OG 3.21Å; M606-S609 WeakPolarHBondContact CA-OG 3.43Å; M606-S609 PolarHBondContact O-OG 2.76Å; S609-S611 VanDerWaalsContact C-N 3.32Å; S609-S611 PolarHBondContact O-N 2.95Å; S609-T612 WeakPolarHBondContact CA-OG1 3.5Å; S609-T612 PolarHBondContact O-N 3.48Å; S609-T612 PolarHBondContact O-OG1 2.9Å; S609-E613 WeakPolarHBondContact O-CB 3.31Å; S609-E613 PolarHBondContact O-N 3.47Å |
| 610 | L | 86.8 | Confident | 89.2 | Confident | 80 Ų | 80 | 100.5 Ų | 100.5 | 42% | 0.419 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.2 | -30.9 | 176.5 | -73.1 | 170.5 | 0 | 0 | 0 | 112.6 | M606 K614 | M606-L610 HydrophobicContact CE-CD1 4.2Å; M606-L610 HydrophobicContact CG-CD1 4.08Å; M606-L610 VanDerWaalsContact O-CB 3.3Å; M606-L610 WeakPolarHBondContact O-CB 3.41Å; M606-L610 VanDerWaalsContact O-CG 3.26Å; M606-L610 WeakPolarHBondContact O-CG 3.41Å; M606-L610 PolarHBondContact O-N 3.39Å; L610-K614 WeakPolarHBondContact O-CB 3.45Å; L610-K614 PolarHBondContact O-N 3.19Å |
| 611 | S | 87.3 | Confident | 88.6 | Confident | 60 Ų | 60 | 101 Ų | 101 | 42% | 0.42 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | L607 E608 S609 K614 N615 | L607-S611 WeakPolarHBondContact O-CB 3.26Å; L607-S611 PolarHBondContact O-N 3.45Å; E608-S611 PolarHBondContact O-N 3.17Å; S609-S611 VanDerWaalsContact C-N 3.32Å; S609-S611 PolarHBondContact O-N 2.95Å; S611-K614 PolarHBondContact O-N 3.37Å; S611-N615 WeakPolarHBondContact O-CB 3.4Å; S611-N615 PolarHBondContact O-N 3.08Å; S611-N615 PolarHBondContact O-ND2 2.86Å; S611-N615 VanDerWaalsContact O-ND2 3.12Å |
| 612 | T | 89.2 | Confident | 88.3 | Confident | 92 Ų | 92 | 100.7 Ų | 100.7 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.6 | -40.9 | 175.1 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | E608 S609 N615 S616 | E608-T612 WeakPolarHBondContact O-CG2 3.48Å; E608-T612 PolarHBondContact O-N 3.32Å; E608-T612 PolarHBondContact O-OG1 3.11Å; S609-T612 WeakPolarHBondContact CA-OG1 3.5Å; S609-T612 PolarHBondContact O-N 3.48Å; S609-T612 PolarHBondContact O-OG1 2.9Å; T612-N615 PolarHBondContact O-N 2.83Å; T612-S616 WeakPolarHBondContact O-CB 3.3Å; T612-S616 PolarHBondContact O-N 2.88Å |
| 613 | E | 89.8 | Confident | 88 | Confident | 105 Ų | 105 | 102 Ų | 102 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -51.2 | 172.2 | -173.4 | 178.9 | -177.7 | 0 | 0 | 111.4 | S609 N615 S616 L617 | S609-E613 WeakPolarHBondContact O-CB 3.31Å; S609-E613 PolarHBondContact O-N 3.47Å; E613-N615 VanDerWaalsContact C-N 3.35Å; E613-N615 PolarHBondContact O-N 3.45Å; E613-S616 WeakPolarHBondContact O-CA 3.15Å; E613-S616 WeakPolarHBondContact O-CB 3.33Å; E613-S616 PolarHBondContact O-N 3.11Å; E613-S616 VanDerWaalsContact O-N 3.07Å; E613-S616 PolarHBondContact O-OG 2.89Å; E613-L617 HydrophobicContact CG-CD1 4.09Å; E613-L617 HydrophobicContact CG-CG 4.47Å; E613-L617 WeakPolarHBondContact O-CG 3.2Å; E613-L617 PolarHBondContact O-N 2.83Å |
| 614 | K | 89.2 | Confident | 87.4 | Confident | 144 Ų | 144 | 100.2 Ų | 100.2 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55 | -47.9 | 176.6 | 177.7 | 179.4 | 176.7 | 179.3 | 0 | 111.9 | L610 S611 S616 L617 V618 | L610-K614 WeakPolarHBondContact O-CB 3.45Å; L610-K614 PolarHBondContact O-N 3.19Å; S611-K614 PolarHBondContact O-N 3.37Å; K614-S616 VanDerWaalsContact C-N 3.32Å; K614-S616 PolarHBondContact O-N 2.99Å; K614-L617 PolarHBondContact O-N 3.36Å; K614-V618 VanDerWaalsContact O-CG2 3.31Å; K614-V618 WeakPolarHBondContact O-CG2 3.48Å; K614-V618 PolarHBondContact O-N 3.27Å |
| 615 | N | 88.4 | Confident | 87 | Confident | 80 Ų | 80 | 101.5 Ų | 101.5 | 43% | 0.428 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 178.1 | -68.8 | -27.3 | 0 | 0 | 0 | 111 | S611 T612 E613 L617 V618 Y619 | S611-N615 WeakPolarHBondContact O-CB 3.4Å; S611-N615 PolarHBondContact O-N 3.08Å; S611-N615 PolarHBondContact O-ND2 2.86Å; S611-N615 VanDerWaalsContact O-ND2 3.12Å; T612-N615 PolarHBondContact O-N 2.83Å; E613-N615 VanDerWaalsContact C-N 3.35Å; E613-N615 PolarHBondContact O-N 3.45Å; N615-L617 PolarHBondContact O-N 3.33Å; N615-V618 PolarHBondContact O-N 2.89Å; N615-Y619 WeakPolarHBondContact O-CD2 3.42Å; N615-Y619 PolarHBondContact O-N 2.93Å |
| 616 | S | 89.3 | Confident | 86.3 | Confident | 51 Ų | 51 | 103.2 Ų | 103.2 | 36% | 0.357 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 175.4 | 82.5 | 0 | 0 | 0 | 0 | 113 | T612 E613 K614 Y619 Q620 | T612-S616 WeakPolarHBondContact O-CB 3.3Å; T612-S616 PolarHBondContact O-N 2.88Å; E613-S616 WeakPolarHBondContact O-CA 3.15Å; E613-S616 WeakPolarHBondContact O-CB 3.33Å; E613-S616 PolarHBondContact O-N 3.11Å; E613-S616 VanDerWaalsContact O-N 3.07Å; E613-S616 PolarHBondContact O-OG 2.89Å; K614-S616 VanDerWaalsContact C-N 3.32Å; K614-S616 PolarHBondContact O-N 2.99Å; S616-Y619 PolarHBondContact O-N 2.87Å; S616-Q620 WeakPolarHBondContact O-CG 3.5Å; S616-Q620 PolarHBondContact O-N 2.92Å |
| 617 | L | 83.6 | Confident | 85.7 | Confident | 80 Ų | 80 | 102.2 Ų | 102.2 | 42% | 0.419 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.7 | -35.2 | 176.5 | -71.7 | 173.2 | 0 | 0 | 0 | 112 | E613 K614 N615 Q620 L621 | E613-L617 HydrophobicContact CG-CD1 4.09Å; E613-L617 HydrophobicContact CG-CG 4.47Å; E613-L617 WeakPolarHBondContact O-CG 3.2Å; E613-L617 PolarHBondContact O-N 2.83Å; K614-L617 PolarHBondContact O-N 3.36Å; N615-L617 PolarHBondContact O-N 3.33Å; L617-Q620 PolarHBondContact O-N 3.48Å; L617-L621 WeakPolarHBondContact O-CB 3.38Å; L617-L621 PolarHBondContact O-N 3.26Å |
| 618 | V | 88.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 101.8 Ų | 101.8 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 171.2 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | K614 N615 Q620 L621 E622 | K614-V618 VanDerWaalsContact O-CG2 3.31Å; K614-V618 WeakPolarHBondContact O-CG2 3.48Å; K614-V618 PolarHBondContact O-N 3.27Å; N615-V618 PolarHBondContact O-N 2.89Å; V618-Q620 VanDerWaalsContact C-N 3.31Å; V618-Q620 PolarHBondContact O-N 3.18Å; V618-L621 PolarHBondContact O-N 2.88Å; V618-E622 WeakPolarHBondContact O-CB 3.31Å; V618-E622 PolarHBondContact O-N 3.35Å |
| 619 | Y | 87.5 | Confident | 83.8 | Confident | 164 Ų | 164 | 104 Ų | 104 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -34.3 | 174.2 | -74.4 | -58.4 | 0 | 0 | 0 | 113.2 | N615 S616 R623 | N615-Y619 WeakPolarHBondContact O-CD2 3.42Å; N615-Y619 PolarHBondContact O-N 2.93Å; S616-Y619 PolarHBondContact O-N 2.87Å; Y619-R623 VanDerWaalsContact O-CB 3.29Å; Y619-R623 WeakPolarHBondContact O-CB 3.3Å; Y619-R623 PolarHBondContact O-N 3.33Å; Y619-R623 VanDerWaalsContact O-N 3.08Å |
| 620 | Q | 88.6 | Confident | 82.7 | Confident | 112 Ų | 112 | 104.6 Ų | 104.6 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 173.6 | -73 | 178.3 | 29.9 | 0 | 0 | 112.3 | S616 L617 V618 R623 L624 | S616-Q620 WeakPolarHBondContact O-CG 3.5Å; S616-Q620 PolarHBondContact O-N 2.92Å; L617-Q620 PolarHBondContact O-N 3.48Å; V618-Q620 VanDerWaalsContact C-N 3.31Å; V618-Q620 PolarHBondContact O-N 3.18Å; Q620-R623 PolarHBondContact O-N 3.37Å; Q620-L624 WeakPolarHBondContact O-CB 3.46Å; Q620-L624 WeakPolarHBondContact O-CG 3.47Å; Q620-L624 PolarHBondContact O-N 2.99Å |
| 621 | L | 78.8 | Confident | 81.7 | Confident | 120 Ų | 120 | 106.3 Ų | 106.3 | 63% | 0.628 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -46 | 175.3 | -82.9 | 170.9 | 0 | 0 | 0 | 111.6 | L617 V618 R623 L624 E625 | L617-L621 WeakPolarHBondContact O-CB 3.38Å; L617-L621 PolarHBondContact O-N 3.26Å; V618-L621 PolarHBondContact O-N 2.88Å; L621-R623 VanDerWaalsContact C-N 3.32Å; L621-R623 PolarHBondContact O-N 3.03Å; L621-L624 PolarHBondContact O-N 3.26Å; L621-E625 WeakPolarHBondContact O-CB 3.45Å; L621-E625 PolarHBondContact O-N 2.97Å |
| 622 | E | 84.9 | Confident | 80.1 | Confident | 95 Ų | 95 | 110.3 Ų | 110.3 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 176.9 | -173.5 | -179.2 | -179.5 | 0 | 0 | 111.1 | V618 E625 Q626 | V618-E622 WeakPolarHBondContact O-CB 3.31Å; V618-E622 PolarHBondContact O-N 3.35Å; E622-E625 PolarHBondContact O-N 3.43Å; E622-Q626 WeakPolarHBondContact O-CB 3.32Å; E622-Q626 WeakPolarHBondContact O-CG 3.47Å; E622-Q626 PolarHBondContact O-N 3.12Å; E622-Q626 PolarHBondContact OE1-NE2 2.88Å |
| 623 | R | 84.9 | Confident | 78.4 | Confident | 169 Ų | 169 | 109.4 Ų | 109.4 | 64% | 0.638 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -41.2 | 174.5 | 176.8 | 174.2 | 169.9 | 160.6 | -2.9 | 112.7 | Y619 Q620 L621 Q627 | Y619-R623 VanDerWaalsContact O-CB 3.29Å; Y619-R623 WeakPolarHBondContact O-CB 3.3Å; Y619-R623 PolarHBondContact O-N 3.33Å; Y619-R623 VanDerWaalsContact O-N 3.08Å; Q620-R623 PolarHBondContact O-N 3.37Å; L621-R623 VanDerWaalsContact C-N 3.32Å; L621-R623 PolarHBondContact O-N 3.03Å; R623-Q627 WeakPolarHBondContact O-CG 3.33Å; R623-Q627 PolarHBondContact O-N 3.38Å |
| 624 | L | 77.4 | Confident | 76.6 | Confident | 101 Ų | 101 | 110.1 Ų | 110.1 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.6 | -38.3 | 176.9 | -79.4 | 174 | 0 | 0 | 0 | 111.8 | Q620 L621 Q627 L628 | Q620-L624 WeakPolarHBondContact O-CB 3.46Å; Q620-L624 WeakPolarHBondContact O-CG 3.47Å; Q620-L624 PolarHBondContact O-N 2.99Å; L621-L624 PolarHBondContact O-N 3.26Å; L624-Q627 PolarHBondContact O-N 3.41Å; L624-L628 WeakPolarHBondContact O-CB 3.04Å; L624-L628 PolarHBondContact O-N 3.08Å |
| 625 | E | 80.1 | Confident | 74.8 | Confident | 127 Ų | 127 | 108.4 Ų | 108.4 | 59% | 0.593 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.5 | -43.1 | 174.4 | -169.4 | -173.5 | 153.5 | 0 | 0 | 110.6 | L621 E622 Q627 L628 K629 | L621-E625 WeakPolarHBondContact O-CB 3.45Å; L621-E625 PolarHBondContact O-N 2.97Å; E622-E625 PolarHBondContact O-N 3.43Å; E625-Q627 VanDerWaalsContact C-N 3.33Å; E625-Q627 PolarHBondContact O-N 2.85Å; E625-L628 PolarHBondContact O-N 2.98Å; E625-K629 WeakPolarHBondContact O-CB 3.43Å; E625-K629 PolarHBondContact O-N 3.1Å |
| 626 | Q | 77 | Confident | 72.7 | Confident | 117 Ų | 117 | 108.8 Ų | 108.8 | 55% | 0.547 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.5 | -39.9 | 173.1 | -72 | 168.9 | 9.1 | 0 | 0 | 112 | E622 A630 | E622-Q626 WeakPolarHBondContact O-CB 3.32Å; E622-Q626 WeakPolarHBondContact O-CG 3.47Å; E622-Q626 PolarHBondContact O-N 3.12Å; E622-Q626 PolarHBondContact OE1-NE2 2.88Å; Q626-A630 WeakPolarHBondContact O-CB 3.22Å; Q626-A630 PolarHBondContact O-N 2.96Å; Q626-A630 VanDerWaalsContact O-N 3.08Å |
| 627 | Q | 76 | Confident | 70.5 | Confident | 95 Ų | 95 | 114.9 Ų | 114.9 | 44% | 0.444 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.4 | -42.6 | 173.9 | -75 | -175 | -28.2 | 0 | 0 | 112.9 | R623 L624 E625 A630 I631 | R623-Q627 WeakPolarHBondContact O-CG 3.33Å; R623-Q627 PolarHBondContact O-N 3.38Å; L624-Q627 PolarHBondContact O-N 3.41Å; E625-Q627 VanDerWaalsContact C-N 3.33Å; E625-Q627 PolarHBondContact O-N 2.85Å; Q627-A630 WeakPolarHBondContact O-CB 3.34Å; Q627-A630 PolarHBondContact O-N 2.68Å; Q627-I631 VanDerWaalsContact O-CG1 3.29Å; Q627-I631 WeakPolarHBondContact O-CG1 3.42Å; Q627-I631 PolarHBondContact O-N 3.36Å |
| 628 | L | 68.7 | Low | 68.1 | Low | 103 Ų | 103 | 114.6 Ų | 114.6 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.2 | -40.2 | 179.8 | -146.8 | 169.6 | 0 | 0 | 0 | 110.2 | L624 E625 A630 I631 Q632 | L624-L628 WeakPolarHBondContact O-CB 3.04Å; L624-L628 PolarHBondContact O-N 3.08Å; E625-L628 PolarHBondContact O-N 2.98Å; L628-A630 VanDerWaalsContact C-N 3.31Å; L628-A630 PolarHBondContact O-N 2.91Å; L628-I631 PolarHBondContact O-N 3.2Å; L628-I631 VanDerWaalsContact O-N 3.15Å; L628-Q632 HydrophobicContact CD2-CB 4.18Å; L628-Q632 WeakPolarHBondContact O-CB 3.43Å; L628-Q632 PolarHBondContact O-N 3.06Å |
| 629 | K | 73 | Confident | 66.3 | Low | 157 Ų | 157 | 116.8 Ų | 116.8 | 68% | 0.683 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.9 | -32.9 | 173.4 | -164.2 | 168.4 | -170.2 | 167.6 | 0 | 112.7 | E625 | E625-K629 WeakPolarHBondContact O-CB 3.43Å; E625-K629 PolarHBondContact O-N 3.1Å |
| 630 | A | 66.9 | Low | 64 | Low | 70 Ų | 70 | 114 Ų | 114 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72 | -36.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q626 Q627 L628 T634 | Q626-A630 WeakPolarHBondContact O-CB 3.22Å; Q626-A630 PolarHBondContact O-N 2.96Å; Q626-A630 VanDerWaalsContact O-N 3.08Å; Q627-A630 WeakPolarHBondContact O-CB 3.34Å; Q627-A630 PolarHBondContact O-N 2.68Å; L628-A630 VanDerWaalsContact C-N 3.31Å; L628-A630 PolarHBondContact O-N 2.91Å; A630-T634 PolarHBondContact O-OG1 2.86Å |
| 631 | I | 66.7 | Low | 61.5 | Low | 116 Ų | 116 | 116.5 Ų | 116.5 | 60% | 0.595 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -77.1 | -43.9 | -179.9 | -68.7 | 163.5 | 0 | 0 | 0 | 111.7 | Q627 L628 G633 T634 | Q627-I631 VanDerWaalsContact O-CG1 3.29Å; Q627-I631 WeakPolarHBondContact O-CG1 3.42Å; Q627-I631 PolarHBondContact O-N 3.36Å; L628-I631 PolarHBondContact O-N 3.2Å; L628-I631 VanDerWaalsContact O-N 3.15Å; I631-G633 PolarHBondContact O-N 3.34Å; I631-T634 WeakPolarHBondContact O-CB 3.38Å; I631-T634 PolarHBondContact O-N 3.37Å; I631-T634 PolarHBondContact O-OG1 3.48Å |
| 632 | Q | 53.1 | Low | 59.7 | Low | 145 Ų | 145 | 118.3 Ų | 118.3 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.2 | -19.5 | -174.4 | -165.9 | 169.1 | 19.2 | 0 | 0 | 113.3 | L628 T634 | L628-Q632 HydrophobicContact CD2-CB 4.18Å; L628-Q632 WeakPolarHBondContact O-CB 3.43Å; L628-Q632 PolarHBondContact O-N 3.06Å; Q632-T634 PolarHBondContact O-N 2.9Å |
| 633 | G | 53.4 | Low | 57.3 | Low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I631 | I631-G633 PolarHBondContact O-N 3.34Š|
| 634 | T | 53 | Low | 54.9 | Low | 120 Ų | 120 | 119.4 Ų | 119.4 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | -3.4 | -165.8 | -32.7 | 0 | 0 | 0 | 0 | 114.7 | A630 I631 Q632 | A630-T634 PolarHBondContact O-OG1 2.86Å; I631-T634 WeakPolarHBondContact O-CB 3.38Å; I631-T634 PolarHBondContact O-N 3.37Å; I631-T634 PolarHBondContact O-OG1 3.48Å; Q632-T634 PolarHBondContact O-N 2.9Å |
| 635 | S | 49.8 | Very low | 52.6 | Low | 107 Ų | 107 | 118 Ų | 118 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | -138 | 82 | -171.6 | -157.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 636 | A | 45.5 | Very low | 50.5 | Low | 89 Ų | 89 | 119.4 Ų | 119.4 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | -140.9 | 78.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 637 | N | 42.6 | Very low | 48.6 | Very low | 178 Ų | 178 | 121.1 Ų | 121.1 | 95% | 0.952 | 74% | 0.738 | S | S | * | * | trans | 178.4 | 121.7 | 157 | -93.1 | -31.6 | 0 | 0 | 0 | 111.7 | ||||
| 638 | G | 33.4 | Very low | 46.7 | Very low | 75 Ų | 75 | 119.8 Ų | 119.8 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | 157 | 124.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 639 | P | 51.1 | Low | 45.6 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -121.1 | 156.9 | -167.8 | 40.7 | -31.6 | 0 | 0 | 0 | 118.9 | ||||
| 640 | S | 38.4 | Very low | 43.9 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | 74.8 | 141.2 | 147.7 | 74.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 641 | I | 36.8 | Very low | 42.3 | Very low | 165 Ų | 165 | 122.8 Ų | 122.8 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | 175.9 | 146.3 | 124.1 | -89.3 | 158.9 | 0 | 0 | 0 | 111.7 | |||||
| 642 | N | 41.6 | Very low | 40.7 | Very low | 158 Ų | 158 | 121.8 Ų | 121.8 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -108.9 | 164.2 | 176.6 | -66.9 | -60.6 | 0 | 0 | 0 | 111.9 | ||||
| 643 | M | 33.3 | Very low | 39.7 | Very low | 190 Ų | 190 | 125.6 Ų | 125.6 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | trans | -158.2 | 156.1 | 145 | -161.6 | 48.7 | 119.3 | 0 | 0 | 113.9 | ||||
| 644 | A | 33.9 | Very low | 38.7 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -145.2 | 172.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 645 | G | 30.3 | Very low | 37.8 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 127 | 151.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 646 | I | 36.2 | Very low | 37.1 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | cis | -158.9 | 146.7 | -2.7 | -113.6 | 161.8 | 0 | 0 | 0 | 111 | ||||
| 647 | D | 36 | Very low | 36.5 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | 0.3 | 163.1 | 159 | -44.9 | -47.1 | 0 | 0 | 0 | 122.7 | ||||
| 648 | G | 36.8 | Very low | 36.4 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | 162.5 | 165.4 | 7.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 649 | P | 45.5 | Very low | 36.8 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | cis | -147.6 | 169.7 | 43.8 | 41 | -19.7 | 0 | 0 | 0 | 118.8 | ||||
| 650 | E | 37.4 | Very low | 36.3 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | trans | 33 | 138.1 | 145.1 | -57.9 | -177.2 | 142.7 | 0 | 0 | 123.2 | ||||
| 651 | G | 33.1 | Very low | 36 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | cis | 179.9 | -180 | 3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 652 | A | 32.4 | Very low | 35.8 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 66.9 | 95.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 653 | R | 33 | Very low | 35.8 | Very low | 225 Ų | 225 | 139.1 Ų | 139.1 | 85% | 0.849 | 79% | 0.792 | S | S | * | * | 57.6 | 133.3 | 60.4 | -61.3 | -171.1 | 173.2 | 165.7 | -0.8 | 113.9 | |||||
| 654 | M | 32.9 | Very low | 36.2 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | cis | -165.6 | 146.8 | -4.5 | -91.1 | -98.5 | -175.4 | 0 | 0 | 107.7 | ||||
| 655 | R | 33 | Very low | 36.3 | Very low | 224 Ų | 224 | 138.2 Ų | 138.2 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | -174.8 | 93.6 | 129.9 | -169.4 | 163 | -174.3 | 139.8 | -0.6 | 111.9 | V657 | R655-V657 HydrophobicContact CG-CG2 4.21Š| |||
| 656 | N | 35.1 | Very low | 37 | Very low | 159 Ų | 159 | 141 Ų | 141 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -85.9 | 138.7 | 162.3 | -69.7 | -4.6 | 0 | 0 | 0 | 109.5 | ||||
| 657 | V | 33.1 | Very low | 37.2 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 67% | 0.667 | 79% | 0.789 | S | S | * | * | trans | -140.4 | 141.7 | 165.3 | 174.9 | 0 | 0 | 0 | 0 | 106.2 | R655 | R655-V657 HydrophobicContact CG-CG2 4.21Š| ||
| 658 | P | 40.4 | Very low | 37.5 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | trans | -80.9 | 152.4 | -140.9 | -15.7 | 29.7 | 0 | 0 | 0 | 117 | ||||
| 659 | V | 42.3 | Very low | 37.7 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -74.7 | 115.7 | 155.6 | 175.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 660 | L | 40.2 | Very low | 37.9 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | trans | -137 | 142.9 | 166.6 | -103.4 | 170.2 | 0 | 0 | 0 | 108.2 | ||||
| 661 | F | 33 | Very low | 38.6 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | 76.8 | 98.4 | -175.1 | -58.9 | -75 | 0 | 0 | 0 | 116.3 | ||||
| 662 | S | 32.4 | Very low | 39.3 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | -57.9 | 165.7 | 158.7 | 48.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 663 | D | 41.3 | Very low | 40.4 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | -16.6 | 125.9 | 155.3 | -81.9 | -56.3 | 0 | 0 | 0 | 116.5 | ||||
| 664 | V | 41.5 | Very low | 41.5 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | -169.7 | 151 | 123.8 | 142.8 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 665 | D | 35.6 | Very low | 42.6 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | 69.4 | 59.1 | 175.5 | -58 | -29.7 | 0 | 0 | 0 | 119 | N667 | D665-N667 VanDerWaalsContact C-N 3.32Å; D665-N667 PolarHBondContact O-N 3.17Å | ||
| 666 | T | 45 | Very low | 43.6 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -1.8 | 168.5 | 44.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 667 | N | 41.1 | Very low | 44.8 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 7.1 | -168.4 | -107.8 | 0.3 | 0 | 0 | 0 | 116.8 | D665 | D665-N667 VanDerWaalsContact C-N 3.32Å; D665-N667 PolarHBondContact O-N 3.17Å |
| 668 | M | 41.5 | Very low | 45.9 | Very low | 183 Ų | 183 | 131.3 Ų | 131.3 | 90% | 0.901 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -135.5 | 45.4 | -177.9 | -162.4 | 152.4 | 64 | 0 | 0 | 115 | ||
| 669 | A | 41 | Very low | 46.6 | Very low | 74 Ų | 74 | 129 Ų | 129 | 61% | 0.612 | 71% | 0.707 | S | S | * | * | trans | -137.7 | 54.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 670 | G | 50.7 | Low | 47.6 | Very low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 144.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y672 | G670-Y672 PolarHBondContact O-N 2.84Š|
| 671 | V | 51.6 | Low | 48.5 | Very low | 94 Ų | 94 | 121.3 Ų | 121.3 | 57% | 0.57 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.4 | -52.9 | 177.8 | -167.4 | 0 | 0 | 0 | 0 | 115.9 | G673 R674 | V671-G673 PolarHBondContact O-N 2.98Å; V671-R674 PolarHBondContact O-N 2.87Å; V671-R674 VanDerWaalsContact O-N 3.12Å |
| 672 | Y | 47.4 | Very low | 50.1 | Low | 198 Ų | 198 | 118.4 Ų | 118.4 | 78% | 0.776 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.3 | -34 | -174.3 | -97.1 | -91.2 | 0 | 0 | 0 | 114.4 | G670 R674 V675 R676 | G670-Y672 PolarHBondContact O-N 2.84Å; Y672-R674 VanDerWaalsContact C-N 3.28Å; Y672-R674 PolarHBondContact O-N 2.98Å; Y672-V675 PolarHBondContact O-N 3.33Å; Y672-R676 PolarHBondContact O-N 3.35Å |
| 673 | G | 56.3 | Low | 51.9 | Low | 48 Ų | 48 | 117.5 Ų | 117.5 | 50% | 0.495 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -63.6 | -29.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V671 K677 | V671-G673 PolarHBondContact O-N 2.98Å; G673-K677 PolarHBondContact O-N 3.43Å |
| 674 | R | 56.3 | Low | 53.1 | Low | 190 Ų | 190 | 116.8 Ų | 116.8 | 72% | 0.717 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74 | -39.8 | 178.9 | -77.8 | -171.4 | -86.5 | 170.6 | -6.8 | 112 | V671 Y672 K677 A678 | V671-R674 PolarHBondContact O-N 2.87Å; V671-R674 VanDerWaalsContact O-N 3.12Å; Y672-R674 VanDerWaalsContact C-N 3.28Å; Y672-R674 PolarHBondContact O-N 2.98Å; R674-K677 PolarHBondContact O-N 3.14Å; R674-A678 PolarHBondContact O-N 3.05Å |
| 675 | V | 54.9 | Low | 54 | Low | 94 Ų | 94 | 118.7 Ų | 118.7 | 57% | 0.57 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.6 | -40.6 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | Y672 K677 A678 A679 | Y672-V675 PolarHBondContact O-N 3.33Å; V675-K677 VanDerWaalsContact C-N 3.33Å; V675-K677 PolarHBondContact O-N 2.99Å; V675-A678 PolarHBondContact O-N 3.27Å; V675-A679 WeakPolarHBondContact O-CB 3.47Å; V675-A679 PolarHBondContact O-N 3.14Å |
| 676 | R | 55.4 | Low | 55.3 | Low | 210 Ų | 210 | 114.5 Ų | 114.5 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.9 | -34.9 | 175.6 | -167.7 | 170.8 | 178.6 | 172.3 | -2 | 112.9 | Y672 S680 | Y672-R676 PolarHBondContact O-N 3.35Å; R676-S680 PolarHBondContact O-N 3.32Å |
| 677 | K | 59 | Low | 56.4 | Low | 165 Ų | 165 | 112.7 Ų | 112.7 | 72% | 0.717 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.1 | -37.8 | 173.8 | -119.7 | 174.3 | 179.7 | 176.2 | 0 | 112.7 | G673 R674 V675 S680 S681 | G673-K677 PolarHBondContact O-N 3.43Å; R674-K677 PolarHBondContact O-N 3.14Å; V675-K677 VanDerWaalsContact C-N 3.33Å; V675-K677 PolarHBondContact O-N 2.99Å; K677-S680 PolarHBondContact O-OG 3.24Å; K677-S681 PolarHBondContact O-N 3.34Å; K677-S681 VanDerWaalsContact O-N 3.13Å; K677-S681 PolarHBondContact O-OG 2.95Å |
| 678 | A | 56.3 | Low | 57.7 | Low | 51 Ų | 51 | 113.2 Ų | 113.2 | 42% | 0.421 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.6 | -37 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R674 V675 S681 I682 | R674-A678 PolarHBondContact O-N 3.05Å; V675-A678 PolarHBondContact O-N 3.27Å; A678-S681 PolarHBondContact O-N 3.14Å; A678-S681 PolarHBondContact O-OG 2.97Å; A678-I682 PolarHBondContact O-N 3.37Å |
| 679 | A | 56.6 | Low | 59 | Low | 57 Ų | 57 | 109.5 Ų | 109.5 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.3 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V675 S681 I682 D683 | V675-A679 WeakPolarHBondContact O-CB 3.47Å; V675-A679 PolarHBondContact O-N 3.14Å; A679-S681 PolarHBondContact O-N 3.34Å; A679-I682 PolarHBondContact O-N 2.93Å; A679-D683 PolarHBondContact O-N 2.74Å |
| 680 | S | 62.3 | Low | 60.2 | Low | 62 Ų | 62 | 108 Ų | 108 | 43% | 0.434 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.9 | -25.9 | 177.9 | 69.8 | 0 | 0 | 0 | 0 | 113.9 | R676 K677 Q684 | R676-S680 PolarHBondContact O-N 3.32Å; K677-S680 PolarHBondContact O-OG 3.24Å; S680-Q684 WeakPolarHBondContact O-CB 3.45Å; S680-Q684 WeakPolarHBondContact O-CG 3.41Å; S680-Q684 PolarHBondContact O-N 3.4Å |
| 681 | S | 59.8 | Low | 61.1 | Low | 58 Ų | 58 | 109.9 Ų | 109.9 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.1 | -35.7 | 172.8 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | K677 A678 A679 D683 Q684 F685 | K677-S681 PolarHBondContact O-N 3.34Å; K677-S681 VanDerWaalsContact O-N 3.13Å; K677-S681 PolarHBondContact O-OG 2.95Å; A678-S681 PolarHBondContact O-N 3.14Å; A678-S681 PolarHBondContact O-OG 2.97Å; A679-S681 PolarHBondContact O-N 3.34Å; S681-D683 VanDerWaalsContact C-N 3.34Å; S681-Q684 PolarHBondContact O-N 2.87Å; S681-F685 PolarHBondContact O-N 3.41Å |
| 682 | I | 66.4 | Low | 61.8 | Low | 125 Ų | 125 | 110.7 Ų | 110.7 | 64% | 0.641 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.4 | -42.7 | 168.1 | -93.9 | 174.9 | 0 | 0 | 0 | 111.2 | A678 A679 F685 S686 | A678-I682 PolarHBondContact O-N 3.37Å; A679-I682 PolarHBondContact O-N 2.93Å; I682-F685 CarbonylContact O-C 3.6Å; I682-F685 PolarHBondContact O-N 3.32Å; I682-S686 WeakPolarHBondContact O-CB 3.5Å; I682-S686 PolarHBondContact O-N 2.92Å |
| 683 | D | 70.1 | Confident | 62.7 | Low | 88 Ų | 88 | 103.8 Ų | 103.8 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.8 | -38.2 | 179.9 | -161.6 | 44.8 | 0 | 0 | 0 | 112.1 | A679 S681 F685 S686 I687 | A679-D683 PolarHBondContact O-N 2.74Å; S681-D683 VanDerWaalsContact C-N 3.34Å; D683-F685 VanDerWaalsContact C-N 3.29Å; D683-F685 PolarHBondContact O-N 3.25Å; D683-S686 PolarHBondContact O-N 3.02Å; D683-S686 PolarHBondContact O-OG 3.12Å; D683-S686 PolarHBondContact OD1-OG 3.48Å; D683-I687 WeakPolarHBondContact O-CB 3.49Å; D683-I687 WeakPolarHBondContact O-CD1 3.31Å; D683-I687 VanDerWaalsContact O-CG1 3.25Å; D683-I687 WeakPolarHBondContact O-CG1 3.49Å; D683-I687 PolarHBondContact O-N 2.88Å |
| 684 | Q | 65.3 | Low | 63.4 | Low | 125 Ų | 125 | 111.6 Ų | 111.6 | 58% | 0.584 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.2 | -33.3 | 169.7 | -77.5 | -175.5 | -7.3 | 0 | 0 | 113 | S680 S681 R688 | S680-Q684 WeakPolarHBondContact O-CB 3.45Å; S680-Q684 WeakPolarHBondContact O-CG 3.41Å; S680-Q684 PolarHBondContact O-N 3.4Å; S681-Q684 PolarHBondContact O-N 2.87Å; Q684-R688 WeakPolarHBondContact O-CB 3.46Å; Q684-R688 PolarHBondContact O-N 2.98Å |
| 685 | F | 61.5 | Low | 64.3 | Low | 162 Ų | 162 | 111.9 Ų | 111.9 | 71% | 0.711 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.6 | -40.8 | 173.2 | -104.3 | -87.7 | 0 | 0 | 0 | 112.4 | S681 I682 D683 R688 L689 | S681-F685 PolarHBondContact O-N 3.41Å; I682-F685 CarbonylContact O-C 3.6Å; I682-F685 PolarHBondContact O-N 3.32Å; D683-F685 VanDerWaalsContact C-N 3.29Å; D683-F685 PolarHBondContact O-N 3.25Å; F685-R688 PolarHBondContact O-N 2.95Å; F685-L689 WeakPolarHBondContact O-CB 3.25Å; F685-L689 PolarHBondContact O-N 3.38Å |
| 686 | S | 61.9 | Low | 65.3 | Low | 60 Ų | 60 | 112.7 Ų | 112.7 | 42% | 0.42 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 179.9 | 77.2 | 0 | 0 | 0 | 0 | 111.3 | I682 D683 L689 G690 | I682-S686 WeakPolarHBondContact O-CB 3.5Å; I682-S686 PolarHBondContact O-N 2.92Å; D683-S686 PolarHBondContact O-N 3.02Å; D683-S686 PolarHBondContact O-OG 3.12Å; D683-S686 PolarHBondContact OD1-OG 3.48Å; S686-L689 PolarHBondContact O-N 3.09Å; S686-G690 PolarHBondContact O-N 3.41Å |
| 687 | I | 69.9 | Low | 66.1 | Low | 91 Ų | 91 | 107 Ų | 107 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.1 | -66.6 | 167 | 0 | 0 | 0 | 110.1 | D683 G690 I691 | D683-I687 WeakPolarHBondContact O-CB 3.49Å; D683-I687 WeakPolarHBondContact O-CD1 3.31Å; D683-I687 VanDerWaalsContact O-CG1 3.25Å; D683-I687 WeakPolarHBondContact O-CG1 3.49Å; D683-I687 PolarHBondContact O-N 2.88Å; I687-G690 PolarHBondContact O-N 3.13Å; I687-I691 HydrophobicContact CG2-CD1 3.95Å; I687-I691 VanDerWaalsContact O-CG1 3.3Å; I687-I691 WeakPolarHBondContact O-CG1 3.35Å; I687-I691 PolarHBondContact O-N 3.25Å |
| 688 | R | 67.3 | Low | 66.9 | Low | 174 Ų | 174 | 105 Ų | 105 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.5 | -40.6 | 179.1 | -166 | 172.4 | -61.3 | -155.6 | 1.1 | 111.7 | Q684 F685 I691 F692 | Q684-R688 WeakPolarHBondContact O-CB 3.46Å; Q684-R688 PolarHBondContact O-N 2.98Å; F685-R688 PolarHBondContact O-N 2.95Å; R688-I691 PolarHBondContact O-N 3.19Å; R688-F692 WeakPolarHBondContact O-CB 3.36Å; R688-F692 PolarHBondContact O-N 2.89Å |
| 689 | L | 69.3 | Low | 67.8 | Low | 105 Ų | 105 | 103.9 Ų | 103.9 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 175.1 | -173.8 | 65.3 | 0 | 0 | 0 | 111.6 | F685 S686 F692 L693 | F685-L689 WeakPolarHBondContact O-CB 3.25Å; F685-L689 PolarHBondContact O-N 3.38Å; S686-L689 PolarHBondContact O-N 3.09Å; L689-F692 PolarHBondContact O-N 3.28Å; L689-L693 HydrophobicContact CD1-CD1 3.76Å; L689-L693 HydrophobicContact CG-CD1 4.08Å; L689-L693 WeakPolarHBondContact O-CD1 3.48Å; L689-L693 PolarHBondContact O-N 2.75Å |
| 690 | G | 66.8 | Low | 69 | Low | 43 Ų | 43 | 106.8 Ų | 106.8 | 44% | 0.443 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S686 I687 R694 | S686-G690 PolarHBondContact O-N 3.41Å; I687-G690 PolarHBondContact O-N 3.13Å; G690-R694 WeakPolarHBondContact O-CB 3.27Å; G690-R694 PolarHBondContact O-N 3.27Å |
| 691 | I | 68.5 | Low | 69.9 | Low | 107 Ų | 107 | 107.7 Ų | 107.7 | 55% | 0.549 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -38.7 | 173.8 | -65.8 | 165.5 | 0 | 0 | 0 | 110.9 | I687 R688 R694 R695 | I687-I691 HydrophobicContact CG2-CD1 3.95Å; I687-I691 VanDerWaalsContact O-CG1 3.3Å; I687-I691 WeakPolarHBondContact O-CG1 3.35Å; I687-I691 PolarHBondContact O-N 3.25Å; R688-I691 PolarHBondContact O-N 3.19Å; I691-R694 PolarHBondContact O-N 2.89Å; I691-R695 WeakPolarHBondContact O-CB 3.41Å; I691-R695 PolarHBondContact O-N 3.27Å |
| 692 | F | 66.8 | Low | 71 | Confident | 112 Ų | 112 | 111.8 Ų | 111.8 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.5 | -46.3 | 178.3 | -138.9 | -98.4 | 0 | 0 | 0 | 112.1 | R688 L689 R694 R695 Y696 | R688-F692 WeakPolarHBondContact O-CB 3.36Å; R688-F692 PolarHBondContact O-N 2.89Å; L689-F692 PolarHBondContact O-N 3.28Å; F692-R694 VanDerWaalsContact C-N 3.3Å; F692-R694 PolarHBondContact O-N 2.86Å; F692-R695 PolarHBondContact O-N 2.89Å; F692-Y696 AromaticContact CD1-CD2 3.62Å; F692-Y696 HydrophobicContact CD1-CD2 3.62Å; F692-Y696 HydrophobicContact CD1-CE2 4.05Å; F692-Y696 HydrophobicContact CD2-CD2 4.37Å; F692-Y696 HydrophobicContact CD2-CE2 4.1Å; F692-Y696 AromaticContact CE1-CD2 3.58Å; F692-Y696 HydrophobicContact CE1-CD2 3.58Å; F692-Y696 AromaticContact CE1-CE2 3.71Å; F692-Y696 HydrophobicContact CE1-CE2 3.71Å; F692-Y696 HydrophobicContact CE2-CD2 4.35Å; F692-Y696 AromaticContact CE2-CE2 3.78Å; F692-Y696 HydrophobicContact CE2-CE2 3.78Å; F692-Y696 HydrophobicContact CG-CD2 4.03Å; F692-Y696 HydrophobicContact CG-CE2 4.23Å; F692-Y696 AromaticContact CZ-CD2 3.97Å; F692-Y696 HydrophobicContact CZ-CD2 3.97Å; F692-Y696 AromaticContact CZ-CE2 3.57Å; F692-Y696 HydrophobicContact CZ-CE2 3.57Å; F692-Y696 WeakPolarHBondContact O-CD2 3.47Å; F692-Y696 PolarHBondContact O-N 3.49Å |
| 693 | L | 65.6 | Low | 71.7 | Confident | 53 Ų | 53 | 108.9 Ų | 108.9 | 28% | 0.277 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 172.6 | -96.1 | 67.6 | 0 | 0 | 0 | 111.3 | L689 R695 R700 | L689-L693 HydrophobicContact CD1-CD1 3.76Å; L689-L693 HydrophobicContact CG-CD1 4.08Å; L689-L693 WeakPolarHBondContact O-CD1 3.48Å; L689-L693 PolarHBondContact O-N 2.75Å; L693-R695 VanDerWaalsContact C-N 3.31Å; L693-R695 PolarHBondContact O-N 3.18Å; L693-R700 PolarHBondContact O-NE 2.86Å; L693-R700 PolarHBondContact O-NH2 3.44Å |
| 694 | R | 70.6 | Confident | 72.3 | Confident | 212 Ų | 212 | 110.1 Ų | 110.1 | 80% | 0.8 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.8 | -37.4 | 175.9 | -164.1 | 171.1 | -176.9 | 175.9 | 0.8 | 111.7 | G690 I691 F692 R700 | G690-R694 WeakPolarHBondContact O-CB 3.27Å; G690-R694 PolarHBondContact O-N 3.27Å; I691-R694 PolarHBondContact O-N 2.89Å; F692-R694 VanDerWaalsContact C-N 3.3Å; F692-R694 PolarHBondContact O-N 2.86Å; R694-R700 PolarHBondContact O-NH2 3.45Å |
| 695 | R | 76.1 | Confident | 73.4 | Confident | 195 Ų | 195 | 108.2 Ų | 108.2 | 74% | 0.736 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -86.6 | -25.2 | -173.7 | -159.9 | 169.3 | -171.7 | 170.7 | 1.5 | 115.5 | I691 F692 L693 | I691-R695 WeakPolarHBondContact O-CB 3.41Å; I691-R695 PolarHBondContact O-N 3.27Å; F692-R695 PolarHBondContact O-N 2.89Å; L693-R695 VanDerWaalsContact C-N 3.31Å; L693-R695 PolarHBondContact O-N 3.18Å |
| 696 | Y | 76.5 | Confident | 74.8 | Confident | 111 Ų | 111 | 107.6 Ų | 107.6 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | trans | -119.7 | 102.9 | -176.3 | -64.3 | -73.7 | 0 | 0 | 0 | 112.8 | F692 I698 A699 | F692-Y696 AromaticContact CD1-CD2 3.62Å; F692-Y696 HydrophobicContact CD1-CD2 3.62Å; F692-Y696 HydrophobicContact CD1-CE2 4.05Å; F692-Y696 HydrophobicContact CD2-CD2 4.37Å; F692-Y696 HydrophobicContact CD2-CE2 4.1Å; F692-Y696 AromaticContact CE1-CD2 3.58Å; F692-Y696 HydrophobicContact CE1-CD2 3.58Å; F692-Y696 AromaticContact CE1-CE2 3.71Å; F692-Y696 HydrophobicContact CE1-CE2 3.71Å; F692-Y696 HydrophobicContact CE2-CD2 4.35Å; F692-Y696 AromaticContact CE2-CE2 3.78Å; F692-Y696 HydrophobicContact CE2-CE2 3.78Å; F692-Y696 HydrophobicContact CG-CD2 4.03Å; F692-Y696 HydrophobicContact CG-CE2 4.23Å; F692-Y696 AromaticContact CZ-CD2 3.97Å; F692-Y696 HydrophobicContact CZ-CD2 3.97Å; F692-Y696 AromaticContact CZ-CE2 3.57Å; F692-Y696 HydrophobicContact CZ-CE2 3.57Å; F692-Y696 WeakPolarHBondContact O-CD2 3.47Å; F692-Y696 PolarHBondContact O-N 3.49Å; Y696-I698 VanDerWaalsContact C-N 3.32Å; Y696-I698 PolarHBondContact O-N 3.29Å; Y696-A699 PolarHBondContact O-N 2.95Å | ||
| 697 | P | 72.5 | Confident | 75.8 | Confident | 90 Ų | 90 | 109.3 Ų | 109.3 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -34.2 | -178 | 24.3 | -32.8 | 0 | 0 | 0 | 113 | A699 R700 V701 | P697-A699 VanDerWaalsContact C-N 3.33Å; P697-A699 PolarHBondContact O-N 2.84Å; P697-R700 WeakPolarHBondContact O-CB 3.47Å; P697-R700 PolarHBondContact O-N 3.49Å; P697-V701 PolarHBondContact O-N 3.23Å |
| 698 | I | 74.7 | Confident | 76.6 | Confident | 123 Ų | 123 | 107.8 Ų | 107.8 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -38.1 | 176.8 | -66.7 | 170.3 | 0 | 0 | 0 | 111.5 | Y696 R700 V701 F702 | Y696-I698 VanDerWaalsContact C-N 3.32Å; Y696-I698 PolarHBondContact O-N 3.29Å; I698-R700 VanDerWaalsContact C-N 3.28Å; I698-R700 PolarHBondContact O-N 3.33Å; I698-V701 WeakPolarHBondContact O-CB 3.5Å; I698-V701 PolarHBondContact O-N 2.87Å; I698-V701 VanDerWaalsContact O-N 3.16Å; I698-F702 HydrophobicContact CG2-CD2 3.94Å; I698-F702 HydrophobicContact CG2-CE2 3.76Å; I698-F702 WeakPolarHBondContact O-CD2 3.24Å; I698-F702 PolarHBondContact O-N 3.35Å; I698-F702 VanDerWaalsContact O-N 3.17Å |
| 699 | A | 76.2 | Confident | 77.6 | Confident | 29 Ų | 29 | 104.4 Ų | 104.4 | 24% | 0.24 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -64.1 | -33.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y696 P697 F702 V703 | Y696-A699 PolarHBondContact O-N 2.95Å; P697-A699 VanDerWaalsContact C-N 3.33Å; P697-A699 PolarHBondContact O-N 2.84Å; A699-F702 PolarHBondContact O-N 3.05Å; A699-V703 WeakPolarHBondContact O-CG2 3.49Å; A699-V703 PolarHBondContact O-N 2.82Å; A699-V703 VanDerWaalsContact O-N 3.08Å |
| 700 | R | 80.3 | Confident | 78.6 | Confident | 118 Ų | 118 | 102.6 Ų | 102.6 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 173.6 | -54.3 | -174.8 | -166 | 174.3 | 8.1 | 111.5 | L693 R694 P697 I698 F702 V703 I704 | L693-R700 PolarHBondContact O-NE 2.86Å; L693-R700 PolarHBondContact O-NH2 3.44Å; R694-R700 PolarHBondContact O-NH2 3.45Å; P697-R700 WeakPolarHBondContact O-CB 3.47Å; P697-R700 PolarHBondContact O-N 3.49Å; I698-R700 VanDerWaalsContact C-N 3.28Å; I698-R700 PolarHBondContact O-N 3.33Å; R700-F702 VanDerWaalsContact C-N 3.35Å; R700-F702 PolarHBondContact O-N 2.79Å; R700-V703 PolarHBondContact O-N 3.24Å; R700-I704 VanDerWaalsContact O-CG1 3.29Å; R700-I704 WeakPolarHBondContact O-CG1 3.46Å; R700-I704 PolarHBondContact O-N 3.21Å |
| 701 | V | 81.4 | Confident | 79.5 | Confident | 81 Ų | 81 | 106.3 Ų | 106.3 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 177.9 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | P697 I698 V703 I704 I705 | P697-V701 PolarHBondContact O-N 3.23Å; I698-V701 WeakPolarHBondContact O-CB 3.5Å; I698-V701 PolarHBondContact O-N 2.87Å; I698-V701 VanDerWaalsContact O-N 3.16Å; V701-V703 PolarHBondContact O-N 3.48Å; V701-I704 PolarHBondContact O-N 2.87Å; V701-I705 HydrophobicContact CG1-CD1 3.75Å; V701-I705 HydrophobicContact CG1-CG1 4.39Å; V701-I705 WeakPolarHBondContact O-CB 3.46Å; V701-I705 VanDerWaalsContact O-CG1 3.28Å; V701-I705 WeakPolarHBondContact O-CG1 3.37Å; V701-I705 PolarHBondContact O-N 2.98Å |
| 702 | F | 83.6 | Confident | 80.4 | Confident | 143 Ų | 143 | 106.1 Ų | 106.1 | 63% | 0.627 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 174.6 | -81.6 | -72.5 | 0 | 0 | 0 | 113.5 | I698 A699 R700 I705 Y706 | I698-F702 HydrophobicContact CG2-CD2 3.94Å; I698-F702 HydrophobicContact CG2-CE2 3.76Å; I698-F702 WeakPolarHBondContact O-CD2 3.24Å; I698-F702 PolarHBondContact O-N 3.35Å; I698-F702 VanDerWaalsContact O-N 3.17Å; A699-F702 PolarHBondContact O-N 3.05Å; R700-F702 VanDerWaalsContact C-N 3.35Å; R700-F702 PolarHBondContact O-N 2.79Å; F702-I705 PolarHBondContact O-N 3.39Å; F702-Y706 WeakPolarHBondContact O-CB 3.45Å; F702-Y706 PolarHBondContact O-N 2.84Å |
| 703 | V | 81.3 | Confident | 81.4 | Confident | 65 Ų | 65 | 108.6 Ų | 108.6 | 39% | 0.394 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | A699 R700 V701 Y706 M707 | A699-V703 WeakPolarHBondContact O-CG2 3.49Å; A699-V703 PolarHBondContact O-N 2.82Å; A699-V703 VanDerWaalsContact O-N 3.08Å; R700-V703 PolarHBondContact O-N 3.24Å; V701-V703 PolarHBondContact O-N 3.48Å; V703-Y706 PolarHBondContact O-N 3.16Å; V703-M707 WeakPolarHBondContact O-CG 3.34Å; V703-M707 PolarHBondContact O-N 3.23Å |
| 704 | I | 82.7 | Confident | 82.3 | Confident | 114 Ų | 114 | 109 Ų | 109 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.1 | -43.7 | 176.3 | -68 | 164.2 | 0 | 0 | 0 | 110.8 | R700 V701 M707 A708 | R700-I704 VanDerWaalsContact O-CG1 3.29Å; R700-I704 WeakPolarHBondContact O-CG1 3.46Å; R700-I704 PolarHBondContact O-N 3.21Å; V701-I704 PolarHBondContact O-N 2.87Å; I704-M707 PolarHBondContact O-N 3.42Å; I704-A708 WeakPolarHBondContact O-CB 3.3Å; I704-A708 PolarHBondContact O-N 3.06Å |
| 705 | I | 88.1 | Confident | 82.8 | Confident | 84 Ų | 84 | 103.9 Ų | 103.9 | 43% | 0.431 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 174.4 | -70.6 | 167.7 | 0 | 0 | 0 | 110.5 | V701 F702 M707 A708 L709 | V701-I705 HydrophobicContact CG1-CD1 3.75Å; V701-I705 HydrophobicContact CG1-CG1 4.39Å; V701-I705 WeakPolarHBondContact O-CB 3.46Å; V701-I705 VanDerWaalsContact O-CG1 3.28Å; V701-I705 WeakPolarHBondContact O-CG1 3.37Å; V701-I705 PolarHBondContact O-N 2.98Å; F702-I705 PolarHBondContact O-N 3.39Å; I705-M707 PolarHBondContact O-N 3.04Å; I705-A708 PolarHBondContact O-N 3.24Å; I705-L709 HydrophobicContact CG2-CD1 3.89Å; I705-L709 HydrophobicContact CG2-CG 4.35Å; I705-L709 WeakPolarHBondContact O-CB 3.28Å; I705-L709 WeakPolarHBondContact O-CG 3.45Å; I705-L709 PolarHBondContact O-N 3.42Å |
| 706 | Y | 90.4 | Very high | 83.1 | Confident | 150 Ų | 150 | 98.6 Ų | 98.6 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 176.8 | 179.2 | -96.9 | 0 | 0 | 0 | 111.9 | F702 V703 A708 L709 L710 | F702-Y706 WeakPolarHBondContact O-CB 3.45Å; F702-Y706 PolarHBondContact O-N 2.84Å; V703-Y706 PolarHBondContact O-N 3.16Å; Y706-A708 PolarHBondContact O-N 2.98Å; Y706-L709 PolarHBondContact O-N 2.79Å; Y706-L710 HydrophobicContact CE1-CD1 4.04Å; Y706-L710 WeakPolarHBondContact O-CB 3.31Å; Y706-L710 PolarHBondContact O-N 3.34Å |
| 707 | M | 83.6 | Confident | 83.5 | Confident | 95 Ų | 95 | 96 Ų | 96 | 47% | 0.468 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 174.6 | -76.5 | -66.9 | 176.1 | 0 | 0 | 112.2 | V703 I704 I705 L710 H711 | V703-M707 WeakPolarHBondContact O-CG 3.34Å; V703-M707 PolarHBondContact O-N 3.23Å; I704-M707 PolarHBondContact O-N 3.42Å; I705-M707 PolarHBondContact O-N 3.04Å; M707-L710 PolarHBondContact O-N 3.15Å; M707-H711 PolarHBondContact O-N 3.4Å; M707-H711 PolarHBondContact O-ND1 3.06Å |
| 708 | A | 86.4 | Confident | 83.7 | Confident | 60 Ų | 60 | 97.8 Ų | 97.8 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I704 I705 Y706 H711 L712 | I704-A708 WeakPolarHBondContact O-CB 3.3Å; I704-A708 PolarHBondContact O-N 3.06Å; I705-A708 PolarHBondContact O-N 3.24Å; Y706-A708 PolarHBondContact O-N 2.98Å; A708-H711 PolarHBondContact O-N 2.89Å; A708-L712 WeakPolarHBondContact O-CB 3.39Å; A708-L712 PolarHBondContact O-N 3.5Å |
| 709 | L | 89.2 | Confident | 83.6 | Confident | 103 Ų | 103 | 97.4 Ų | 97.4 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 174.4 | -71.3 | 171.4 | 0 | 0 | 0 | 112.3 | I705 Y706 L712 W713 | I705-L709 HydrophobicContact CG2-CD1 3.89Å; I705-L709 HydrophobicContact CG2-CG 4.35Å; I705-L709 WeakPolarHBondContact O-CB 3.28Å; I705-L709 WeakPolarHBondContact O-CG 3.45Å; I705-L709 PolarHBondContact O-N 3.42Å; Y706-L709 PolarHBondContact O-N 2.79Å; L709-L712 PolarHBondContact O-N 3.04Å; L709-W713 WeakPolarHBondContact O-CB 3.44Å; L709-W713 PolarHBondContact O-N 2.72Å |
| 710 | L | 90.4 | Very high | 83.4 | Confident | 66 Ų | 66 | 101 Ų | 101 | 35% | 0.346 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 174.5 | -167.9 | 159.9 | 0 | 0 | 0 | 110.9 | Y706 M707 W713 V714 | Y706-L710 HydrophobicContact CE1-CD1 4.04Å; Y706-L710 WeakPolarHBondContact O-CB 3.31Å; Y706-L710 PolarHBondContact O-N 3.34Å; M707-L710 PolarHBondContact O-N 3.15Å; L710-W713 PolarHBondContact O-N 3.07Å; L710-V714 HydrophobicContact CD2-CG2 4Å; L710-V714 WeakPolarHBondContact O-CG2 3.41Å; L710-V714 PolarHBondContact O-N 2.81Å |
| 711 | H | 84.2 | Confident | 82.5 | Confident | 122 Ų | 122 | 104.4 Ų | 104.4 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.6 | -38.3 | 175.1 | -73.9 | 73.5 | 0 | 0 | 0 | 111.9 | M707 A708 W713 V714 M715 | M707-H711 PolarHBondContact O-N 3.4Å; M707-H711 PolarHBondContact O-ND1 3.06Å; A708-H711 PolarHBondContact O-N 2.89Å; H711-W713 VanDerWaalsContact C-N 3.34Å; H711-V714 PolarHBondContact O-N 3.25Å; H711-M715 WeakPolarHBondContact O-CB 3.48Å; H711-M715 PolarHBondContact O-N 2.92Å |
| 712 | L | 87.2 | Confident | 81 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 172.2 | -168.5 | 89.3 | 0 | 0 | 0 | 110.9 | A708 L709 M715 I716 | A708-L712 WeakPolarHBondContact O-CB 3.39Å; A708-L712 PolarHBondContact O-N 3.5Å; L709-L712 PolarHBondContact O-N 3.04Å; L712-M715 PolarHBondContact O-N 3.41Å; L712-I716 HydrophobicContact CD2-CD1 4.16Å; L712-I716 HydrophobicContact CG-CD1 4.07Å; L712-I716 WeakPolarHBondContact O-CB 3.43Å; L712-I716 WeakPolarHBondContact O-CD1 3.33Å; L712-I716 VanDerWaalsContact O-CG1 3.23Å; L712-I716 WeakPolarHBondContact O-CG1 3.22Å; L712-I716 PolarHBondContact O-N 3.27Å |
| 713 | W | 88.8 | Confident | 79.5 | Confident | 165 Ų | 165 | 103.8 Ų | 103.8 | 63% | 0.625 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.4 | -46.5 | 176.9 | -179.3 | 84.8 | 0 | 0 | 0 | 112 | L709 L710 H711 M715 I716 V717 | L709-W713 WeakPolarHBondContact O-CB 3.44Å; L709-W713 PolarHBondContact O-N 2.72Å; L710-W713 PolarHBondContact O-N 3.07Å; H711-W713 VanDerWaalsContact C-N 3.34Å; W713-M715 VanDerWaalsContact C-N 3.3Å; W713-M715 PolarHBondContact O-N 3.31Å; W713-I716 PolarHBondContact O-N 3.47Å; W713-V717 HydrophobicContact CD2-CG2 4.27Å; W713-V717 HydrophobicContact CE3-CG2 4.46Å; W713-V717 HydrophobicContact CH2-CG2 4.25Å; W713-V717 HydrophobicContact CZ2-CG2 4.04Å; W713-V717 HydrophobicContact CZ3-CG2 4.46Å; W713-V717 WeakPolarHBondContact O-CG2 3.24Å; W713-V717 PolarHBondContact O-N 2.81Å |
| 714 | V | 83.9 | Confident | 77.7 | Confident | 60 Ų | 60 | 109.2 Ų | 109.2 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.4 | -38.5 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | L710 H711 V717 L718 | L710-V714 HydrophobicContact CD2-CG2 4Å; L710-V714 WeakPolarHBondContact O-CG2 3.41Å; L710-V714 PolarHBondContact O-N 2.81Å; H711-V714 PolarHBondContact O-N 3.25Å; V714-V717 PolarHBondContact O-N 3.18Å; V714-L718 HydrophobicContact CG1-CD1 4.02Å; V714-L718 WeakPolarHBondContact O-CB 3.43Å; V714-L718 WeakPolarHBondContact O-CG 3.47Å; V714-L718 PolarHBondContact O-N 3.44Å |
| 715 | M | 80.8 | Confident | 75.8 | Confident | 106 Ų | 106 | 110.9 Ų | 110.9 | 52% | 0.522 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.5 | -35.2 | 179 | -163.3 | -101.3 | 179.5 | 0 | 0 | 112.3 | H711 L712 W713 L718 L719 | H711-M715 WeakPolarHBondContact O-CB 3.48Å; H711-M715 PolarHBondContact O-N 2.92Å; L712-M715 PolarHBondContact O-N 3.41Å; W713-M715 VanDerWaalsContact C-N 3.3Å; W713-M715 PolarHBondContact O-N 3.31Å; M715-L718 PolarHBondContact O-N 3.09Å; M715-L719 HydrophobicContact CE-CD1 3.54Å; M715-L719 HydrophobicContact CE-CD2 4.42Å; M715-L719 HydrophobicContact CE-CG 4.01Å; M715-L719 WeakPolarHBondContact O-CB 3.3Å; M715-L719 WeakPolarHBondContact O-CG 3.39Å; M715-L719 PolarHBondContact O-N 3.25Å; M715-L719 HydrophobicContact SD-CD1 3.51Å; M715-L719 VanDerWaalsContact SD-CD1 3.51Å; M715-L719 HydrophobicContact SD-CG 4.13Å |
| 716 | I | 83.6 | Confident | 73.7 | Confident | 84 Ų | 84 | 114.7 Ų | 114.7 | 43% | 0.431 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.2 | -46.7 | 167.7 | -72.4 | 162.7 | 0 | 0 | 0 | 110 | L712 W713 L719 T720 | L712-I716 HydrophobicContact CD2-CD1 4.16Å; L712-I716 HydrophobicContact CG-CD1 4.07Å; L712-I716 WeakPolarHBondContact O-CB 3.43Å; L712-I716 WeakPolarHBondContact O-CD1 3.33Å; L712-I716 VanDerWaalsContact O-CG1 3.23Å; L712-I716 WeakPolarHBondContact O-CG1 3.22Å; L712-I716 PolarHBondContact O-N 3.27Å; W713-I716 PolarHBondContact O-N 3.47Å; I716-L719 PolarHBondContact O-N 3.4Å; I716-T720 HydrophobicContact CG2-CG2 4.47Å; I716-T720 WeakPolarHBondContact O-CB 3.26Å; I716-T720 PolarHBondContact O-N 3.02Å; I716-T720 PolarHBondContact O-OG1 3.13Å |
| 717 | V | 84.1 | Confident | 71.5 | Confident | 56 Ų | 56 | 115.5 Ų | 115.5 | 34% | 0.339 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.6 | -48.3 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | W713 V714 L719 T720 Y721 | W713-V717 HydrophobicContact CD2-CG2 4.27Å; W713-V717 HydrophobicContact CE3-CG2 4.46Å; W713-V717 HydrophobicContact CH2-CG2 4.25Å; W713-V717 HydrophobicContact CZ2-CG2 4.04Å; W713-V717 HydrophobicContact CZ3-CG2 4.46Å; W713-V717 WeakPolarHBondContact O-CG2 3.24Å; W713-V717 PolarHBondContact O-N 2.81Å; V714-V717 PolarHBondContact O-N 3.18Å; V717-L719 VanDerWaalsContact C-N 3.32Å; V717-L719 PolarHBondContact O-N 3.11Å; V717-T720 PolarHBondContact O-N 2.9Å; V717-T720 PolarHBondContact O-OG1 2.97Å; V717-Y721 WeakPolarHBondContact O-CB 3.36Å; V717-Y721 PolarHBondContact O-N 2.79Å |
| 718 | L | 77.8 | Confident | 69.7 | Low | 128 Ų | 128 | 118.1 Ų | 118.1 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.2 | -30.3 | 177.5 | -77.3 | 167.2 | 0 | 0 | 0 | 114.2 | V714 M715 | V714-L718 HydrophobicContact CG1-CD1 4.02Å; V714-L718 WeakPolarHBondContact O-CB 3.43Å; V714-L718 WeakPolarHBondContact O-CG 3.47Å; V714-L718 PolarHBondContact O-N 3.44Å; M715-L718 PolarHBondContact O-N 3.09Å |
| 719 | L | 72.6 | Confident | 67.4 | Low | 115 Ų | 115 | 118.2 Ų | 118.2 | 60% | 0.602 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -81.7 | -30.2 | 175.1 | -77.4 | 179 | 0 | 0 | 0 | 113.6 | M715 I716 V717 | M715-L719 HydrophobicContact CE-CD1 3.54Å; M715-L719 HydrophobicContact CE-CD2 4.42Å; M715-L719 HydrophobicContact CE-CG 4.01Å; M715-L719 WeakPolarHBondContact O-CB 3.3Å; M715-L719 WeakPolarHBondContact O-CG 3.39Å; M715-L719 PolarHBondContact O-N 3.25Å; M715-L719 HydrophobicContact SD-CD1 3.51Å; M715-L719 VanDerWaalsContact SD-CD1 3.51Å; M715-L719 HydrophobicContact SD-CG 4.13Å; I716-L719 PolarHBondContact O-N 3.4Å; V717-L719 VanDerWaalsContact C-N 3.32Å; V717-L719 PolarHBondContact O-N 3.11Å |
| 720 | T | 70.9 | Confident | 66.1 | Low | 105 Ų | 105 | 119.5 Ų | 119.5 | 64% | 0.644 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -89.4 | -21.7 | 179.3 | 49 | 0 | 0 | 0 | 0 | 113.2 | I716 V717 S722 | I716-T720 HydrophobicContact CG2-CG2 4.47Å; I716-T720 WeakPolarHBondContact O-CB 3.26Å; I716-T720 PolarHBondContact O-N 3.02Å; I716-T720 PolarHBondContact O-OG1 3.13Å; V717-T720 PolarHBondContact O-N 2.9Å; V717-T720 PolarHBondContact O-OG1 2.97Å; T720-S722 PolarHBondContact O-N 3.06Å |
| 721 | Y | 62.3 | Low | 64.1 | Low | 189 Ų | 189 | 122 Ų | 122 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | trans | -94.5 | 84.3 | 167.2 | -114.7 | -98.5 | 0 | 0 | 0 | 110.5 | V717 | V717-Y721 WeakPolarHBondContact O-CB 3.36Å; V717-Y721 PolarHBondContact O-N 2.79Å | ||
| 722 | S | 49.3 | Very low | 62.4 | Low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | trans | -68.1 | 131.5 | 161.3 | -70.7 | 0 | 0 | 0 | 0 | 109.2 | T720 E724 | T720-S722 PolarHBondContact O-N 3.06Å; S722-E724 PolarHBondContact O-N 3.06Å | ||
| 723 | P | 51.5 | Low | 60 | Low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | trans | -70.2 | 129.2 | -178.4 | 27.6 | -33.7 | 0 | 0 | 0 | 111.3 | M725 | P723-M725 PolarHBondContact O-N 2.74Å; P723-M725 VanDerWaalsContact O-N 3.07Å | ||
| 724 | E | 43.3 | Very low | 58.6 | Low | 180 Ų | 180 | 128.9 Ų | 128.9 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | -62.5 | 107.8 | 166.9 | -76.7 | -177.3 | 122.8 | 0 | 0 | 109.5 | S722 H726 | S722-E724 PolarHBondContact O-N 3.06Å; E724-H726 PolarHBondContact O-N 2.9Å | ||
| 725 | M | 43.7 | Very low | 57.3 | Low | 149 Ų | 149 | 132.5 Ų | 132.5 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | -77.5 | 107.8 | 168.1 | -65.1 | -147.1 | -48.2 | 0 | 0 | 109.4 | P723 H727 | P723-M725 PolarHBondContact O-N 2.74Å; P723-M725 VanDerWaalsContact O-N 3.07Å; M725-H727 PolarHBondContact O-N 2.74Å | ||
| 726 | H | 44.2 | Very low | 56 | Low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -63.6 | 103.1 | 166.8 | -74.8 | -69.7 | 0 | 0 | 0 | 110.5 | E724 D728 | E724-H726 PolarHBondContact O-N 2.9Å; H726-D728 PolarHBondContact O-N 3.22Å | ||
| 727 | H | 44.1 | Very low | 54.3 | Low | 168 Ų | 168 | 136.9 Ų | 136.9 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | trans | -88.7 | 76.6 | 164.3 | -93.1 | -70.6 | 0 | 0 | 0 | 110.2 | M725 G729 | M725-H727 PolarHBondContact O-N 2.74Å; H727-G729 PolarHBondContact O-N 2.84Å; H727-G729 VanDerWaalsContact O-N 3.17Å | ||
| 728 | D | 45.6 | Very low | 52.5 | Low | 149 Ų | 149 | 141.9 Ų | 141.9 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -78.9 | 93.3 | 166.2 | -80.2 | -28.1 | 0 | 0 | 0 | 109.9 | H726 | H726-D728 PolarHBondContact O-N 3.22Š| ||
| 729 | G | 37.2 | Very low | 50.8 | Low | 63 Ų | 63 | 142.9 Ų | 142.9 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | -100 | 111.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H727 S731 | H727-G729 PolarHBondContact O-N 2.84Å; H727-G729 VanDerWaalsContact O-N 3.17Å; G729-S731 PolarHBondContact O-N 3.4Å | ||
| 730 | P | 61.6 | Low | 49.2 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | trans | -86.1 | 93.9 | 178.2 | 32.8 | -32.4 | 0 | 0 | 0 | 111.1 | ||||
| 731 | S | 48.9 | Very low | 47.6 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -95.7 | 92.2 | 169.5 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | G729 | G729-S731 PolarHBondContact O-N 3.4Š| ||
| 732 | G | 48.4 | Very low | 46.3 | Very low | 78 Ų | 78 | 144.5 Ų | 144.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -89.7 | 108.9 | 163 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 733 | R | 38.1 | Very low | 46 | Very low | 325 Ų | 325 | 148.8 Ų | 148.8 | 100% | 1.226 | 82% | 0.818 | S | S | * | * | trans | -171.1 | 0 | 134.5 | -119.7 | -179.6 | 174.8 | 177.6 | -1.4 | 112.8 |
Retrieved 733 of 733 residues in 363.6 ms
(Link to these results)