| 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 | 38.4 | Very low | 55.8 | Low | 187 Ų | 187 | 109 Ų | 109 | 92% | 0.921 | 59% | 0.589 | S | S | * | * | 0 | 18.4 | 0 | -101.7 | -114.6 | -154 | 0 | 0 | 110.3 | W3 L4 | M1-W3 PolarHBondContact O-N 2.88Å; M1-L4 PolarHBondContact O-N 3.22Å; M1-L4 HydrophobicContact SD-CD1 4.05Å | |||
| 2 | D | 48.4 | Very low | 57.3 | Low | 145 Ų | 145 | 102.6 Ų | 102.6 | 78% | 0.775 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -86.1 | -9.1 | -153.8 | -47.5 | -64.5 | 0 | 0 | 0 | 114 | L4 G5 | D2-L4 PolarHBondContact O-N 3.26Å; D2-G5 PolarHBondContact O-N 2.85Å; D2-G5 VanDerWaalsContact O-N 3.13Å |
| 3 | W | 50.6 | Low | 58.6 | Low | 202 Ų | 202 | 103.1 Ų | 103.1 | 77% | 0.765 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -68.5 | -22 | 174.3 | 91.9 | -62.3 | 0 | 0 | 0 | 113.2 | M1 G5 G6 | M1-W3 PolarHBondContact O-N 2.88Å; W3-G5 VanDerWaalsContact C-N 3.26Å; W3-G5 PolarHBondContact O-N 2.77Å; W3-G6 PolarHBondContact O-N 2.67Å |
| 4 | L | 50 | Low | 59.4 | Low | 93 Ų | 93 | 102.8 Ų | 102.8 | 49% | 0.487 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -72.1 | -20.3 | 173.2 | -77.2 | 159.4 | 0 | 0 | 0 | 112.4 | M1 D2 G6 L7 | M1-L4 PolarHBondContact O-N 3.22Å; M1-L4 HydrophobicContact SD-CD1 4.05Å; D2-L4 PolarHBondContact O-N 3.26Å; L4-G6 VanDerWaalsContact C-N 3.27Å; L4-G6 PolarHBondContact O-N 2.66Å; L4-L7 HydrophobicContact CD2-CD1 4.15Å; L4-L7 PolarHBondContact O-N 2.78Å |
| 5 | G | 56.1 | Low | 60.8 | Low | 44 Ų | 44 | 101.2 Ų | 101.2 | 45% | 0.454 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.1 | -25.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D2 W3 L7 S8 S9 | D2-G5 PolarHBondContact O-N 2.85Å; D2-G5 VanDerWaalsContact O-N 3.13Å; W3-G5 VanDerWaalsContact C-N 3.26Å; W3-G5 PolarHBondContact O-N 2.77Å; G5-L7 VanDerWaalsContact C-N 3.29Å; G5-L7 PolarHBondContact O-N 3.17Å; G5-S8 PolarHBondContact O-N 2.81Å; G5-S8 PolarHBondContact O-OG 2.81Å; G5-S9 PolarHBondContact O-N 2.86Å |
| 6 | G | 53.8 | Low | 61.6 | Low | 39 Ų | 39 | 100.9 Ų | 100.9 | 40% | 0.402 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.2 | -29.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W3 L4 S9 I10 | W3-G6 PolarHBondContact O-N 2.67Å; L4-G6 VanDerWaalsContact C-N 3.27Å; L4-G6 PolarHBondContact O-N 2.66Å; G6-S9 PolarHBondContact O-N 2.9Å; G6-I10 PolarHBondContact O-N 3.43Å |
| 7 | L | 47.7 | Very low | 62.2 | Low | 96 Ų | 96 | 101.4 Ų | 101.4 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -75.1 | -29.4 | 179.7 | -75.4 | 163.2 | 0 | 0 | 0 | 112.8 | L4 G5 K11 | L4-L7 HydrophobicContact CD2-CD1 4.15Å; L4-L7 PolarHBondContact O-N 2.78Å; G5-L7 VanDerWaalsContact C-N 3.29Å; G5-L7 PolarHBondContact O-N 3.17Å; L7-K11 WeakPolarHBondContact O-CB 3.11Å; L7-K11 PolarHBondContact O-N 2.8Å |
| 8 | S | 60 | Low | 62.8 | Low | 85 Ų | 85 | 99.8 Ų | 99.8 | 59% | 0.594 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.5 | -36 | 172.7 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | G5 K11 G12 | G5-S8 PolarHBondContact O-N 2.81Å; G5-S8 PolarHBondContact O-OG 2.81Å; S8-K11 PolarHBondContact O-N 2.83Å; S8-G12 PolarHBondContact O-N 2.61Å |
| 9 | S | 65.6 | Low | 63.2 | Low | 67 Ų | 67 | 102.1 Ų | 102.1 | 47% | 0.469 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.9 | -46.1 | 172.2 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | G5 G6 K11 G12 Q13 | G5-S9 PolarHBondContact O-N 2.86Å; G6-S9 PolarHBondContact O-N 2.9Å; S9-K11 VanDerWaalsContact C-N 3.35Å; S9-K11 PolarHBondContact O-N 3.32Å; S9-G12 CarbonylContact O-C 3.19Å; S9-G12 WeakPolarHBondContact O-CA 3.25Å; S9-G12 PolarHBondContact O-N 2.55Å; S9-G12 VanDerWaalsContact O-N 3.13Å; S9-Q13 WeakPolarHBondContact O-CG 3.29Å; S9-Q13 PolarHBondContact O-N 3.38Å |
| 10 | I | 69.6 | Low | 63.3 | Low | 85 Ų | 85 | 102.1 Ų | 102.1 | 44% | 0.436 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.7 | -41 | 175 | -87.9 | 161.8 | 0 | 0 | 0 | 111.9 | G6 G12 Q13 I14 | G6-I10 PolarHBondContact O-N 3.43Å; I10-G12 VanDerWaalsContact C-N 3.3Å; I10-G12 PolarHBondContact O-N 3.49Å; I10-Q13 PolarHBondContact O-N 3.31Å; I10-I14 HydrophobicContact CG2-CD1 3.8Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 2.82Å; I10-I14 PolarHBondContact O-N 2.66Å |
| 11 | K | 73.7 | Confident | 63.4 | Low | 156 Ų | 156 | 103.6 Ų | 103.6 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.6 | -37.7 | 175.5 | -167.1 | 179.2 | -179.6 | -174.7 | 0 | 111.4 | L7 S8 S9 T15 | L7-K11 WeakPolarHBondContact O-CB 3.11Å; L7-K11 PolarHBondContact O-N 2.8Å; S8-K11 PolarHBondContact O-N 2.83Å; S9-K11 VanDerWaalsContact C-N 3.35Å; S9-K11 PolarHBondContact O-N 3.32Å; K11-T15 WeakPolarHBondContact O-CB 2.79Å; K11-T15 PolarHBondContact O-N 2.8Å; K11-T15 PolarHBondContact O-OG1 2.79Å |
| 12 | G | 73.3 | Confident | 64.4 | Low | 32 Ų | 32 | 101 Ų | 101 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S8 S9 I10 T15 N16 | S8-G12 PolarHBondContact O-N 2.61Å; S9-G12 CarbonylContact O-C 3.19Å; S9-G12 WeakPolarHBondContact O-CA 3.25Å; S9-G12 PolarHBondContact O-N 2.55Å; S9-G12 VanDerWaalsContact O-N 3.13Å; I10-G12 VanDerWaalsContact C-N 3.3Å; I10-G12 PolarHBondContact O-N 3.49Å; G12-T15 WeakPolarHBondContact O-CB 2.96Å; G12-T15 PolarHBondContact O-N 3.21Å; G12-N16 PolarHBondContact O-N 2.72Å |
| 13 | Q | 75.4 | Confident | 64.9 | Low | 109 Ų | 109 | 97.2 Ų | 97.2 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 176.8 | -75 | 177.6 | -19.6 | 0 | 0 | 112 | S9 I10 T15 N16 I17 | S9-Q13 WeakPolarHBondContact O-CG 3.29Å; S9-Q13 PolarHBondContact O-N 3.38Å; I10-Q13 PolarHBondContact O-N 3.31Å; Q13-T15 VanDerWaalsContact C-N 3.28Å; Q13-T15 PolarHBondContact O-N 3.37Å; Q13-N16 PolarHBondContact O-N 2.75Å; Q13-I17 WeakPolarHBondContact O-CB 2.61Å; Q13-I17 VanDerWaalsContact O-CG1 3.26Å; Q13-I17 WeakPolarHBondContact O-CG1 3.09Å; Q13-I17 PolarHBondContact O-N 2.91Å |
| 14 | I | 69.7 | Low | 65.1 | Low | 99 Ų | 99 | 95.6 Ų | 95.6 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 175.1 | -66.6 | 165.9 | 0 | 0 | 0 | 110.3 | I10 I17 T18 | I10-I14 HydrophobicContact CG2-CD1 3.8Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 2.82Å; I10-I14 PolarHBondContact O-N 2.66Å; I14-I17 PolarHBondContact O-N 3.43Å; I14-T18 WeakPolarHBondContact O-CB 3.11Å; I14-T18 PolarHBondContact O-N 2.65Å; I14-T18 PolarHBondContact O-OG1 2.75Å |
| 15 | T | 79.7 | Confident | 65 | Low | 79 Ų | 79 | 94.3 Ų | 94.3 | 49% | 0.485 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | K11 G12 Q13 T18 K19 | K11-T15 WeakPolarHBondContact O-CB 2.79Å; K11-T15 PolarHBondContact O-N 2.8Å; K11-T15 PolarHBondContact O-OG1 2.79Å; G12-T15 WeakPolarHBondContact O-CB 2.96Å; G12-T15 PolarHBondContact O-N 3.21Å; Q13-T15 VanDerWaalsContact C-N 3.28Å; Q13-T15 PolarHBondContact O-N 3.37Å; T15-T18 PolarHBondContact O-N 2.63Å; T15-K19 WeakPolarHBondContact O-CB 3.3Å; T15-K19 PolarHBondContact O-N 2.64Å |
| 16 | N | 73 | Confident | 64.3 | Low | 96 Ų | 96 | 97.9 Ų | 97.9 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.2 | -43.7 | 175.8 | -79.9 | -6.5 | 0 | 0 | 0 | 111.8 | G12 Q13 T18 K19 D20 | G12-N16 PolarHBondContact O-N 2.72Å; Q13-N16 PolarHBondContact O-N 2.75Å; N16-T18 VanDerWaalsContact C-N 3.28Å; N16-T18 PolarHBondContact O-N 3.42Å; N16-K19 CarbonylContact O-C 3.6Å; N16-K19 WeakPolarHBondContact O-CA 2.95Å; N16-K19 WeakPolarHBondContact O-CB 3.03Å; N16-K19 PolarHBondContact O-N 2.73Å; N16-D20 WeakPolarHBondContact O-CB 3.34Å; N16-D20 PolarHBondContact O-N 2.7Å |
| 17 | I | 72.7 | Confident | 63.9 | Low | 110 Ų | 110 | 106.2 Ų | 106.2 | 56% | 0.564 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.4 | -43.9 | 173.7 | -68.7 | 164.3 | 0 | 0 | 0 | 110.3 | Q13 I14 K19 D20 L21 | Q13-I17 WeakPolarHBondContact O-CB 2.61Å; Q13-I17 VanDerWaalsContact O-CG1 3.26Å; Q13-I17 WeakPolarHBondContact O-CG1 3.09Å; Q13-I17 PolarHBondContact O-N 2.91Å; I14-I17 PolarHBondContact O-N 3.43Å; I17-K19 VanDerWaalsContact C-N 3.27Å; I17-K19 PolarHBondContact O-N 2.69Å; I17-D20 PolarHBondContact O-N 3.45Å; I17-L21 VanDerWaalsContact O-CB 3.26Å; I17-L21 WeakPolarHBondContact O-CB 3.2Å; I17-L21 PolarHBondContact O-N 2.86Å |
| 18 | T | 72.8 | Confident | 63.8 | Low | 72 Ų | 72 | 110 Ų | 110 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -35.6 | 177.2 | -51.9 | 0 | 0 | 0 | 0 | 111.2 | I14 T15 N16 L22 | I14-T18 WeakPolarHBondContact O-CB 3.11Å; I14-T18 PolarHBondContact O-N 2.65Å; I14-T18 PolarHBondContact O-OG1 2.75Å; T15-T18 PolarHBondContact O-N 2.63Å; N16-T18 VanDerWaalsContact C-N 3.28Å; N16-T18 PolarHBondContact O-N 3.42Å; T18-L22 HydrophobicContact CG2-CD1 4.25Å; T18-L22 WeakPolarHBondContact O-CB 3.4Å; T18-L22 WeakPolarHBondContact O-CD1 2.81Å; T18-L22 WeakPolarHBondContact O-CG 3.31Å; T18-L22 PolarHBondContact O-N 2.83Å; T18-L22 VanDerWaalsContact O-N 3.1Å |
| 19 | K | 69.6 | Low | 63.3 | Low | 143 Ų | 143 | 112.4 Ų | 112.4 | 62% | 0.622 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.2 | -41.1 | 179.1 | -149.1 | -177.1 | -174.1 | -175 | 0 | 112 | T15 N16 I17 L22 A23 | T15-K19 WeakPolarHBondContact O-CB 3.3Å; T15-K19 PolarHBondContact O-N 2.64Å; N16-K19 CarbonylContact O-C 3.6Å; N16-K19 WeakPolarHBondContact O-CA 2.95Å; N16-K19 WeakPolarHBondContact O-CB 3.03Å; N16-K19 PolarHBondContact O-N 2.73Å; I17-K19 VanDerWaalsContact C-N 3.27Å; I17-K19 PolarHBondContact O-N 2.69Å; K19-L22 PolarHBondContact O-N 2.77Å; K19-A23 WeakPolarHBondContact O-CB 3.11Å; K19-A23 PolarHBondContact O-N 2.77Å |
| 20 | D | 65.6 | Low | 62.7 | Low | 102 Ų | 102 | 115.3 Ų | 115.3 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.9 | -41.7 | 176.6 | -69.1 | -17.3 | 0 | 0 | 0 | 110.2 | N16 I17 L22 A23 E24 | N16-D20 WeakPolarHBondContact O-CB 3.34Å; N16-D20 PolarHBondContact O-N 2.7Å; I17-D20 PolarHBondContact O-N 3.45Å; D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 3.44Å; D20-A23 PolarHBondContact O-N 3.03Å; D20-E24 WeakPolarHBondContact O-CB 3.43Å; D20-E24 PolarHBondContact O-N 2.74Å |
| 21 | L | 66.3 | Low | 62.7 | Low | 134 Ų | 134 | 115.2 Ų | 115.2 | 70% | 0.702 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.3 | -35.7 | 174.3 | -153.4 | 90.6 | 0 | 0 | 0 | 112.4 | I17 | I17-L21 VanDerWaalsContact O-CB 3.26Å; I17-L21 WeakPolarHBondContact O-CB 3.2Å; I17-L21 PolarHBondContact O-N 2.86Å |
| 22 | L | 59 | Low | 62.6 | Low | 134 Ų | 134 | 112.2 Ų | 112.2 | 70% | 0.702 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.5 | -27.6 | 175 | -72.7 | 170.1 | 0 | 0 | 0 | 112.8 | T18 K19 D20 | T18-L22 HydrophobicContact CG2-CD1 4.25Å; T18-L22 WeakPolarHBondContact O-CB 3.4Å; T18-L22 WeakPolarHBondContact O-CD1 2.81Å; T18-L22 WeakPolarHBondContact O-CG 3.31Å; T18-L22 PolarHBondContact O-N 2.83Å; T18-L22 VanDerWaalsContact O-N 3.1Å; K19-L22 PolarHBondContact O-N 2.77Å; D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 3.44Å |
| 23 | A | 58.4 | Low | 62.8 | Low | 65 Ų | 65 | 118 Ų | 118 | 54% | 0.537 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -79.2 | -36.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K19 D20 G25 T26 | K19-A23 WeakPolarHBondContact O-CB 3.11Å; K19-A23 PolarHBondContact O-N 2.77Å; D20-A23 PolarHBondContact O-N 3.03Å; A23-G25 PolarHBondContact O-N 3.17Å; A23-T26 PolarHBondContact O-N 3.42Å |
| 24 | E | 55.9 | Low | 62.9 | Low | 168 Ų | 168 | 115.5 Ų | 115.5 | 79% | 0.785 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.3 | -25.2 | 178.3 | -158.3 | 81.5 | -151.4 | 0 | 0 | 112 | D20 T26 | D20-E24 WeakPolarHBondContact O-CB 3.43Å; D20-E24 PolarHBondContact O-N 2.74Å; E24-T26 PolarHBondContact O-N 2.82Å |
| 25 | G | 47 | Very low | 63.4 | Low | 66 Ų | 66 | 116.5 Ų | 116.5 | 68% | 0.68 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 5.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | A23 | A23-G25 PolarHBondContact O-N 3.17Š|
| 26 | T | 41.8 | Very low | 63.4 | Low | 118 Ų | 118 | 117 Ų | 117 | 72% | 0.724 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -139.3 | 83.5 | -176.2 | 13.9 | 0 | 0 | 0 | 0 | 112.9 | A23 E24 | A23-T26 PolarHBondContact O-N 3.42Å; E24-T26 PolarHBondContact O-N 2.82Å |
| 27 | R | 44.3 | Very low | 64 | Low | 214 Ų | 214 | 115.6 Ų | 115.6 | 81% | 0.808 | 62% | 0.618 | S | S | * | * | trans | 151.7 | 94.1 | 133.1 | -173 | -178.7 | -105.3 | -149 | -4.3 | 110.8 | I29 | R27-I29 HydrophobicContact CG-CD1 4.47Å; R27-I29 HydrophobicContact CG-CG1 4.4Å; R27-I29 PolarHBondContact O-N 2.82Å; R27-I29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | E | 45.7 | Very low | 64.6 | Low | 175 Ų | 175 | 115.6 Ų | 115.6 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | trans | -56.4 | 108.6 | 168.1 | -68.1 | 170.8 | 163 | 0 | 0 | 111 | ||||
| 29 | I | 50.3 | Low | 65 | Low | 137 Ų | 137 | 114.6 Ų | 114.6 | 70% | 0.703 | 62% | 0.616 | S | S | * | * | trans | -130.1 | 93.6 | 157.5 | -62.9 | 176.6 | 0 | 0 | 0 | 105.5 | R27 D31 | R27-I29 HydrophobicContact CG-CD1 4.47Å; R27-I29 HydrophobicContact CG-CG1 4.4Å; R27-I29 PolarHBondContact O-N 2.82Å; R27-I29 VanDerWaalsContact O-N 3.16Å; I29-D31 PolarHBondContact O-N 3.46Å; I29-D31 VanDerWaalsContact O-N 3.11Å | ||
| 30 | N | 53.4 | Low | 66 | Low | 127 Ų | 127 | 115.7 Ų | 115.7 | 68% | 0.679 | 62% | 0.617 | S | S | * | * | trans | -68.5 | 97.1 | -174.9 | -58.7 | -30.2 | 0 | 0 | 0 | 110.5 | ||||
| 31 | D | 68.7 | Low | 67.1 | Low | 83 Ų | 83 | 114.3 Ų | 114.3 | 44% | 0.444 | 61% | 0.612 | S | S | . | * | trans | -113.9 | 101.7 | 159.1 | -174.6 | 5 | 0 | 0 | 0 | 108.9 | I29 E33 S34 E35 | I29-D31 PolarHBondContact O-N 3.46Å; I29-D31 VanDerWaalsContact O-N 3.11Å; D31-E33 PolarHBondContact O-N 3.35Å; D31-E33 PolarHBondContact OD1-N 2.82Å; D31-S34 WeakPolarHBondContact O-CB 2.78Å; D31-S34 PolarHBondContact O-N 3.36Å; D31-S34 VanDerWaalsContact O-N 3.13Å; D31-E35 PolarHBondContact O-N 2.82Å; D31-E35 VanDerWaalsContact O-N 3.15Å | ||
| 32 | P | 72.2 | Confident | 68.3 | Low | 93 Ų | 93 | 114.5 Ų | 114.5 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.6 | -23.7 | -177.4 | 26.8 | -34.6 | 0 | 0 | 0 | 112.7 | L36 | P32-L36 VanDerWaalsContact O-CB 3.26Å; P32-L36 WeakPolarHBondContact O-CB 2.96Å; P32-L36 PolarHBondContact O-N 2.82Å |
| 33 | E | 77.5 | Confident | 69.8 | Low | 154 Ų | 154 | 112.4 Ų | 112.4 | 72% | 0.72 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71 | -38 | 176.5 | -166.4 | 168.1 | -164.2 | 0 | 0 | 111.1 | D31 S37 | D31-E33 PolarHBondContact O-N 3.35Å; D31-E33 PolarHBondContact OD1-N 2.82Å; E33-S37 WeakPolarHBondContact O-CB 3.4Å; E33-S37 PolarHBondContact O-N 3.42Å |
| 34 | S | 78.2 | Confident | 71.3 | Confident | 57 Ų | 57 | 113.1 Ų | 113.1 | 40% | 0.399 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.8 | -48.3 | 171.9 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | D31 L36 S37 I38 | D31-S34 WeakPolarHBondContact O-CB 2.78Å; D31-S34 PolarHBondContact O-N 3.36Å; D31-S34 VanDerWaalsContact O-N 3.13Å; S34-L36 VanDerWaalsContact C-N 3.34Å; S34-L36 PolarHBondContact O-N 3.38Å; S34-S37 WeakPolarHBondContact O-CB 3.3Å; S34-S37 PolarHBondContact O-N 2.65Å; S34-I38 VanDerWaalsContact O-CG1 3.29Å; S34-I38 WeakPolarHBondContact O-CG1 3.34Å; S34-I38 PolarHBondContact O-N 2.8Å |
| 35 | E | 78.6 | Confident | 73 | Confident | 119 Ų | 119 | 109.6 Ų | 109.6 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.3 | -42.1 | 178.4 | -71.6 | 179.1 | -167.9 | 0 | 0 | 112.2 | D31 S37 I38 A39 | D31-E35 PolarHBondContact O-N 2.82Å; D31-E35 VanDerWaalsContact O-N 3.15Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 3.38Å; E35-I38 PolarHBondContact O-N 3.41Å; E35-A39 WeakPolarHBondContact O-CB 3.22Å; E35-A39 PolarHBondContact O-N 2.82Å |
| 36 | L | 79.6 | Confident | 75 | Confident | 89 Ų | 89 | 110.4 Ų | 110.4 | 47% | 0.466 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.3 | -35.4 | 177.1 | -171.8 | 133.4 | 0 | 0 | 0 | 112 | P32 S34 R40 | P32-L36 VanDerWaalsContact O-CB 3.26Å; P32-L36 WeakPolarHBondContact O-CB 2.96Å; P32-L36 PolarHBondContact O-N 2.82Å; S34-L36 VanDerWaalsContact C-N 3.34Å; S34-L36 PolarHBondContact O-N 3.38Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 WeakPolarHBondContact O-CG 3Å; L36-R40 PolarHBondContact O-N 3.11Å |
| 37 | S | 87.3 | Confident | 77.4 | Confident | 68 Ų | 68 | 110.7 Ų | 110.7 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65 | -44.1 | 172 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | E33 S34 E35 R40 T41 | E33-S37 WeakPolarHBondContact O-CB 3.4Å; E33-S37 PolarHBondContact O-N 3.42Å; S34-S37 WeakPolarHBondContact O-CB 3.3Å; S34-S37 PolarHBondContact O-N 2.65Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 3.38Å; S37-R40 PolarHBondContact O-N 2.87Å; S37-T41 PolarHBondContact O-N 2.65Å; S37-T41 PolarHBondContact O-OG1 3.41Å; S37-T41 VanDerWaalsContact O-OG1 3.04Å |
| 38 | I | 84.6 | Confident | 79.7 | Confident | 110 Ų | 110 | 104 Ų | 104 | 56% | 0.564 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | 176.9 | -67.9 | 162.8 | 0 | 0 | 0 | 110.4 | S34 E35 R40 T41 R42 | S34-I38 VanDerWaalsContact O-CG1 3.29Å; S34-I38 WeakPolarHBondContact O-CG1 3.34Å; S34-I38 PolarHBondContact O-N 2.8Å; E35-I38 PolarHBondContact O-N 3.41Å; I38-R40 PolarHBondContact O-N 3.44Å; I38-T41 PolarHBondContact O-N 3.4Å; I38-R42 WeakPolarHBondContact O-CB 3.05Å; I38-R42 PolarHBondContact O-N 3.44Å |
| 39 | A | 80.2 | Confident | 81.9 | Confident | 50 Ų | 50 | 99 Ų | 99 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E35 R42 I43 | E35-A39 WeakPolarHBondContact O-CB 3.22Å; E35-A39 PolarHBondContact O-N 2.82Å; A39-R42 PolarHBondContact O-N 3.39Å; A39-I43 VanDerWaalsContact O-CG1 3.31Å; A39-I43 WeakPolarHBondContact O-CG1 2.89Å; A39-I43 PolarHBondContact O-N 2.88Å |
| 40 | R | 90.6 | Very high | 83.9 | Confident | 166 Ų | 166 | 96.6 Ų | 96.6 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -44.9 | 174 | -78.7 | 176.5 | 174.5 | 165.8 | 0.4 | 111.9 | L36 S37 I38 R42 I43 C44 | L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 WeakPolarHBondContact O-CG 3Å; L36-R40 PolarHBondContact O-N 3.11Å; S37-R40 PolarHBondContact O-N 2.87Å; I38-R40 PolarHBondContact O-N 3.44Å; R40-R42 VanDerWaalsContact C-N 3.3Å; R40-R42 PolarHBondContact O-N 2.85Å; R40-I43 PolarHBondContact O-N 3.42Å; R40-C44 PolarHBondContact O-N 3.45Å; R40-C44 PolarHBondContact O-SG 2.94Å; R40-C44 VanDerWaalsContact O-SG 3.36Å |
| 41 | T | 89.8 | Confident | 85.8 | Confident | 74 Ų | 74 | 95.4 Ų | 95.4 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 174.5 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | S37 I38 I43 C44 E45 | S37-T41 PolarHBondContact O-N 2.65Å; S37-T41 PolarHBondContact O-OG1 3.41Å; S37-T41 VanDerWaalsContact O-OG1 3.04Å; I38-T41 PolarHBondContact O-N 3.4Å; T41-I43 PolarHBondContact O-N 3.2Å; T41-C44 WeakPolarHBondContact O-CB 3.35Å; T41-C44 PolarHBondContact O-N 3.33Å; T41-E45 WeakPolarHBondContact O-CG 3.4Å; T41-E45 PolarHBondContact O-N 2.85Å |
| 42 | R | 91.1 | Very high | 87 | Confident | 137 Ų | 137 | 95.2 Ų | 95.2 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 179 | -174.1 | 56.2 | 177.3 | 170.6 | 1.3 | 113 | I38 A39 R40 E45 L46 | I38-R42 WeakPolarHBondContact O-CB 3.05Å; I38-R42 PolarHBondContact O-N 3.44Å; A39-R42 PolarHBondContact O-N 3.39Å; R40-R42 VanDerWaalsContact C-N 3.3Å; R40-R42 PolarHBondContact O-N 2.85Å; R42-E45 WeakPolarHBondContact CD-OE2 3.49Å; R42-E45 IonicContact CZ-OE2 3.52Å; R42-E45 IonicContact NH1-OE2 3.2Å; R42-E45 PolarHBondContact NH1-OE2 3.08Å; R42-E45 PolarHBondContact O-N 3.47Å; R42-L46 HydrophobicContact CG-CD1 4.36Å; R42-L46 WeakPolarHBondContact O-CG 3.27Å; R42-L46 PolarHBondContact O-N 3.46Å |
| 43 | I | 90.7 | Very high | 87.8 | Confident | 91 Ų | 91 | 95.9 Ų | 95.9 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -47.6 | 173.6 | -70.7 | 165.3 | 0 | 0 | 0 | 109.9 | A39 R40 T41 E45 L46 E47 | A39-I43 VanDerWaalsContact O-CG1 3.31Å; A39-I43 WeakPolarHBondContact O-CG1 2.89Å; A39-I43 PolarHBondContact O-N 2.88Å; R40-I43 PolarHBondContact O-N 3.42Å; T41-I43 PolarHBondContact O-N 3.2Å; I43-E45 VanDerWaalsContact C-N 3.3Å; I43-E45 PolarHBondContact O-N 2.84Å; I43-L46 PolarHBondContact O-N 3.26Å; I43-L46 VanDerWaalsContact O-N 3.12Å; I43-E47 HydrophobicContact CG2-CG 4.24Å; I43-E47 WeakPolarHBondContact O-CG 3.25Å; I43-E47 PolarHBondContact O-N 3.32Å |
| 44 | C | 91 | Very high | 88.6 | Confident | 80 Ų | 80 | 94 Ų | 94 | 54% | 0.541 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.2 | -40.7 | 176.7 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | R40 T41 S48 | R40-C44 PolarHBondContact O-N 3.45Å; R40-C44 PolarHBondContact O-SG 2.94Å; R40-C44 VanDerWaalsContact O-SG 3.36Å; T41-C44 WeakPolarHBondContact O-CB 3.35Å; T41-C44 PolarHBondContact O-N 3.33Å; C44-S48 PolarHBondContact O-N 2.95Å |
| 45 | E | 90.3 | Very high | 89.3 | Confident | 94 Ų | 94 | 94.9 Ų | 94.9 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 174.2 | -72.4 | 172.6 | -173.1 | 0 | 0 | 111.9 | T41 R42 I43 S48 V49 | T41-E45 WeakPolarHBondContact O-CG 3.4Å; T41-E45 PolarHBondContact O-N 2.85Å; R42-E45 WeakPolarHBondContact CD-OE2 3.49Å; R42-E45 IonicContact CZ-OE2 3.52Å; R42-E45 IonicContact NH1-OE2 3.2Å; R42-E45 PolarHBondContact NH1-OE2 3.08Å; R42-E45 PolarHBondContact O-N 3.47Å; I43-E45 VanDerWaalsContact C-N 3.3Å; I43-E45 PolarHBondContact O-N 2.84Å; E45-S48 WeakPolarHBondContact O-CB 3.2Å; E45-S48 PolarHBondContact O-N 3.26Å; E45-V49 WeakPolarHBondContact O-CG2 3.22Å; E45-V49 PolarHBondContact O-N 3.45Å |
| 46 | L | 88.9 | Confident | 89.9 | Confident | 83 Ų | 83 | 95 Ų | 95 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 179.8 | -72.9 | 172.9 | 0 | 0 | 0 | 112 | R42 I43 S48 V49 V50 | R42-L46 HydrophobicContact CG-CD1 4.36Å; R42-L46 WeakPolarHBondContact O-CG 3.27Å; R42-L46 PolarHBondContact O-N 3.46Å; I43-L46 PolarHBondContact O-N 3.26Å; I43-L46 VanDerWaalsContact O-N 3.12Å; L46-S48 VanDerWaalsContact C-N 3.3Å; L46-S48 PolarHBondContact O-N 3.48Å; L46-V49 PolarHBondContact O-N 2.9Å; L46-V49 VanDerWaalsContact O-N 3.16Å; L46-V50 WeakPolarHBondContact O-CG2 3.12Å; L46-V50 PolarHBondContact O-N 2.86Å |
| 47 | E | 92.9 | Very high | 90.4 | Very high | 124 Ų | 124 | 95.6 Ų | 95.6 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.9 | -41.8 | 173.6 | -73.4 | 177.2 | 167 | 0 | 0 | 111.1 | I43 V49 V50 E51 | I43-E47 HydrophobicContact CG2-CG 4.24Å; I43-E47 WeakPolarHBondContact O-CG 3.25Å; I43-E47 PolarHBondContact O-N 3.32Å; E47-V49 PolarHBondContact O-N 3.06Å; E47-V50 PolarHBondContact O-N 3.3Å; E47-E51 WeakPolarHBondContact O-CB 3.04Å; E47-E51 PolarHBondContact O-N 3.4Å |
| 48 | S | 92.7 | Very high | 90.7 | Very high | 73 Ų | 73 | 96.1 Ų | 96.1 | 51% | 0.51 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 173.7 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | C44 E45 L46 T52 | C44-S48 PolarHBondContact O-N 2.95Å; E45-S48 WeakPolarHBondContact O-CB 3.2Å; E45-S48 PolarHBondContact O-N 3.26Å; L46-S48 VanDerWaalsContact C-N 3.3Å; L46-S48 PolarHBondContact O-N 3.48Å; S48-T52 PolarHBondContact O-N 3.41Å; S48-T52 PolarHBondContact O-OG1 2.81Å |
| 49 | V | 92.1 | Very high | 91.2 | Very high | 70 Ų | 70 | 94.7 Ų | 94.7 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | E45 L46 E47 T52 Q53 | E45-V49 WeakPolarHBondContact O-CG2 3.22Å; E45-V49 PolarHBondContact O-N 3.45Å; L46-V49 PolarHBondContact O-N 2.9Å; L46-V49 VanDerWaalsContact O-N 3.16Å; E47-V49 PolarHBondContact O-N 3.06Å; V49-T52 VanDerWaalsContact CA-OG1 3.26Å; V49-T52 WeakPolarHBondContact CA-OG1 3.48Å; V49-T52 PolarHBondContact O-N 3.05Å; V49-T52 PolarHBondContact O-OG1 2.98Å; V49-Q53 HydrophobicContact CG1-CG 4.47Å; V49-Q53 WeakPolarHBondContact O-CB 3.36Å; V49-Q53 WeakPolarHBondContact O-CG 2.98Å; V49-Q53 PolarHBondContact O-N 3.47Å |
| 50 | V | 91.1 | Very high | 91.5 | Very high | 87 Ų | 87 | 96.8 Ų | 96.8 | 53% | 0.527 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 177.1 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | L46 E47 Q53 K54 | L46-V50 WeakPolarHBondContact O-CG2 3.12Å; L46-V50 PolarHBondContact O-N 2.86Å; E47-V50 PolarHBondContact O-N 3.3Å; V50-Q53 PolarHBondContact O-N 3.09Å; V50-K54 VanDerWaalsContact O-CB 3.3Å; V50-K54 WeakPolarHBondContact O-CB 3.39Å; V50-K54 PolarHBondContact O-N 3.33Å |
| 51 | E | 94 | Very high | 91.7 | Very high | 102 Ų | 102 | 95.8 Ų | 95.8 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 178.6 | -166.6 | 58 | -147.4 | 0 | 0 | 111.4 | E47 K54 T55 | E47-E51 WeakPolarHBondContact O-CB 3.04Å; E47-E51 PolarHBondContact O-N 3.4Å; E51-K54 PolarHBondContact O-N 3.31Å; E51-T55 WeakPolarHBondContact O-CG2 3.19Å; E51-T55 PolarHBondContact O-N 3.14Å |
| 52 | T | 92.9 | Very high | 91.9 | Very high | 78 Ų | 78 | 96.1 Ų | 96.1 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 173.7 | 35 | 0 | 0 | 0 | 0 | 112.1 | S48 V49 K54 T55 E56 | S48-T52 PolarHBondContact O-N 3.41Å; S48-T52 PolarHBondContact O-OG1 2.81Å; V49-T52 VanDerWaalsContact CA-OG1 3.26Å; V49-T52 WeakPolarHBondContact CA-OG1 3.48Å; V49-T52 PolarHBondContact O-N 3.05Å; V49-T52 PolarHBondContact O-OG1 2.98Å; T52-K54 VanDerWaalsContact C-N 3.31Å; T52-K54 PolarHBondContact O-N 3.25Å; T52-T55 PolarHBondContact O-N 3.34Å; T52-T55 PolarHBondContact O-OG1 3.4Å; T52-E56 PolarHBondContact O-N 2.93Å |
| 53 | Q | 90.8 | Very high | 92 | Very high | 107 Ų | 107 | 94.6 Ų | 94.6 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 175.1 | -74.5 | -179.9 | -11.4 | 0 | 0 | 112.6 | V49 V50 E56 I57 | V49-Q53 HydrophobicContact CG1-CG 4.47Å; V49-Q53 WeakPolarHBondContact O-CB 3.36Å; V49-Q53 WeakPolarHBondContact O-CG 2.98Å; V49-Q53 PolarHBondContact O-N 3.47Å; V50-Q53 PolarHBondContact O-N 3.09Å; Q53-E56 PolarHBondContact O-N 3.3Å; Q53-I57 VanDerWaalsContact O-CG1 3.32Å; Q53-I57 WeakPolarHBondContact O-CG1 3.17Å; Q53-I57 PolarHBondContact O-N 3.36Å |
| 54 | K | 94.2 | Very high | 91.7 | Very high | 114 Ų | 114 | 95 Ų | 95 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 176 | -172 | -179.4 | 178.5 | -172.4 | 0 | 111.7 | V50 E51 T52 E56 N58 | V50-K54 VanDerWaalsContact O-CB 3.3Å; V50-K54 WeakPolarHBondContact O-CB 3.39Å; V50-K54 PolarHBondContact O-N 3.33Å; E51-K54 PolarHBondContact O-N 3.31Å; T52-K54 VanDerWaalsContact C-N 3.31Å; T52-K54 PolarHBondContact O-N 3.25Å; K54-E56 VanDerWaalsContact C-N 3.35Å; K54-N58 WeakPolarHBondContact O-CB 3.24Å; K54-N58 VanDerWaalsContact O-CG 3.31Å; K54-N58 PolarHBondContact O-N 3.5Å; K54-N58 PolarHBondContact O-ND2 3.3Å |
| 55 | T | 92.3 | Very high | 91.8 | Very high | 77 Ų | 77 | 96.2 Ų | 96.2 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 173.8 | 63.3 | 0 | 0 | 0 | 0 | 112.3 | E51 T52 N58 S59 | E51-T55 WeakPolarHBondContact O-CG2 3.19Å; E51-T55 PolarHBondContact O-N 3.14Å; T52-T55 PolarHBondContact O-N 3.34Å; T52-T55 PolarHBondContact O-OG1 3.4Å; T55-N58 PolarHBondContact O-N 2.82Å; T55-S59 WeakPolarHBondContact O-CB 3.35Å; T55-S59 PolarHBondContact O-N 3.49Å |
| 56 | E | 91.8 | Very high | 91.8 | Very high | 121 Ų | 121 | 97.3 Ų | 97.3 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.9 | -45.9 | 175.6 | -175.4 | 176 | -168.4 | 0 | 0 | 111.8 | T52 Q53 K54 N58 S59 L60 | T52-E56 PolarHBondContact O-N 2.93Å; Q53-E56 PolarHBondContact O-N 3.3Å; K54-E56 VanDerWaalsContact C-N 3.35Å; E56-N58 VanDerWaalsContact C-N 3.32Å; E56-N58 PolarHBondContact O-N 3.24Å; E56-S59 WeakPolarHBondContact O-CB 3.12Å; E56-S59 PolarHBondContact O-N 3Å; E56-S59 VanDerWaalsContact O-N 3.17Å; E56-L60 HydrophobicContact CG-CD1 4.23Å; E56-L60 WeakPolarHBondContact O-CG 3.49Å; E56-L60 PolarHBondContact O-N 3.36Å |
| 57 | I | 89.1 | Confident | 91.7 | Very high | 102 Ų | 102 | 96.8 Ų | 96.8 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 175.8 | -70.9 | 168.1 | 0 | 0 | 0 | 110.8 | Q53 S59 L60 R61 | Q53-I57 VanDerWaalsContact O-CG1 3.32Å; Q53-I57 WeakPolarHBondContact O-CG1 3.17Å; Q53-I57 PolarHBondContact O-N 3.36Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 3.42Å; I57-L60 PolarHBondContact O-N 2.71Å; I57-R61 WeakPolarHBondContact O-CB 3.18Å; I57-R61 WeakPolarHBondContact O-CG 3.37Å; I57-R61 PolarHBondContact O-N 3.38Å |
| 58 | N | 94.3 | Very high | 91.6 | Very high | 78 Ų | 78 | 95.4 Ų | 95.4 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 177.1 | -73.4 | -28.2 | 0 | 0 | 0 | 112.1 | K54 T55 E56 R61 C62 | K54-N58 WeakPolarHBondContact O-CB 3.24Å; K54-N58 VanDerWaalsContact O-CG 3.31Å; K54-N58 PolarHBondContact O-N 3.5Å; K54-N58 PolarHBondContact O-ND2 3.3Å; T55-N58 PolarHBondContact O-N 2.82Å; E56-N58 VanDerWaalsContact C-N 3.32Å; E56-N58 PolarHBondContact O-N 3.24Å; N58-R61 PolarHBondContact O-N 3.43Å; N58-C62 PolarHBondContact O-N 2.82Å; N58-C62 PolarHBondContact O-SG 2.89Å |
| 59 | S | 94.3 | Very high | 91.6 | Very high | 80 Ų | 80 | 96.3 Ų | 96.3 | 56% | 0.559 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 174.5 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | T55 E56 I57 R61 C62 R63 | T55-S59 WeakPolarHBondContact O-CB 3.35Å; T55-S59 PolarHBondContact O-N 3.49Å; E56-S59 WeakPolarHBondContact O-CB 3.12Å; E56-S59 PolarHBondContact O-N 3Å; E56-S59 VanDerWaalsContact O-N 3.17Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 3.42Å; S59-R61 VanDerWaalsContact C-N 3.33Å; S59-R61 PolarHBondContact O-N 2.92Å; S59-C62 PolarHBondContact O-N 2.92Å; S59-R63 PolarHBondContact O-N 3.3Å |
| 60 | L | 87.6 | Confident | 91.6 | Very high | 94 Ų | 94 | 98.2 Ų | 98.2 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 176.5 | -70.6 | 174.2 | 0 | 0 | 0 | 112.1 | E56 I57 R63 N64 | E56-L60 HydrophobicContact CG-CD1 4.23Å; E56-L60 WeakPolarHBondContact O-CG 3.49Å; E56-L60 PolarHBondContact O-N 3.36Å; I57-L60 PolarHBondContact O-N 2.71Å; L60-R63 PolarHBondContact O-N 3.37Å; L60-N64 WeakPolarHBondContact O-CB 3.36Å; L60-N64 PolarHBondContact O-N 3.44Å |
| 61 | R | 94 | Very high | 91.3 | Very high | 146 Ų | 146 | 99.9 Ų | 99.9 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.7 | -49 | 172.4 | -81.1 | -170.8 | 59.6 | -164.8 | -9 | 112 | I57 N58 S59 R63 N64 E65 | I57-R61 WeakPolarHBondContact O-CB 3.18Å; I57-R61 WeakPolarHBondContact O-CG 3.37Å; I57-R61 PolarHBondContact O-N 3.38Å; N58-R61 PolarHBondContact O-N 3.43Å; S59-R61 VanDerWaalsContact C-N 3.33Å; S59-R61 PolarHBondContact O-N 2.92Å; R61-R63 VanDerWaalsContact C-N 3.27Å; R61-R63 PolarHBondContact O-N 2.94Å; R61-N64 PolarHBondContact O-N 3.43Å; R61-E65 IonicContact NH2-OE1 2.56Å; R61-E65 WeakPolarHBondContact O-CG 3.21Å; R61-E65 PolarHBondContact O-N 2.97Å |
| 62 | C | 93.1 | Very high | 91.1 | Very high | 81 Ų | 81 | 101.5 Ų | 101.5 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 176.2 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | N58 S59 E65 E66 | N58-C62 PolarHBondContact O-N 2.82Å; N58-C62 PolarHBondContact O-SG 2.89Å; S59-C62 PolarHBondContact O-N 2.92Å; C62-E65 PolarHBondContact O-N 3.13Å; C62-E66 PolarHBondContact O-N 3.47Å |
| 63 | R | 92.9 | Very high | 90.9 | Very high | 104 Ų | 104 | 100.3 Ų | 100.3 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67 | -37.6 | 177.6 | -177.2 | 60.4 | -175.2 | 120.6 | 9.1 | 112.8 | S59 L60 R61 E66 L67 | S59-R63 PolarHBondContact O-N 3.3Å; L60-R63 PolarHBondContact O-N 3.37Å; R61-R63 VanDerWaalsContact C-N 3.27Å; R61-R63 PolarHBondContact O-N 2.94Å; R63-E66 WeakPolarHBondContact CD-OE2 3.4Å; R63-E66 IonicContact CZ-OE2 3.65Å; R63-E66 IonicContact NE-OE2 2.64Å; R63-E66 IonicContact NH1-OE2 3.44Å; R63-E66 PolarHBondContact NH1-OE2 3.06Å; R63-E66 PolarHBondContact O-N 2.88Å; R63-L67 WeakPolarHBondContact O-CB 3.28Å; R63-L67 WeakPolarHBondContact O-CG 3.28Å; R63-L67 PolarHBondContact O-N 3.07Å |
| 64 | N | 84.5 | Confident | 90.4 | Very high | 99 Ų | 99 | 97.5 Ų | 97.5 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 174.7 | -80.4 | -16.5 | 0 | 0 | 0 | 111.5 | L60 R61 E66 L67 V68 | L60-N64 WeakPolarHBondContact O-CB 3.36Å; L60-N64 PolarHBondContact O-N 3.44Å; R61-N64 PolarHBondContact O-N 3.43Å; N64-E66 VanDerWaalsContact C-N 3.33Å; N64-E66 PolarHBondContact O-N 2.65Å; N64-L67 PolarHBondContact O-N 2.93Å; N64-V68 VanDerWaalsContact O-CG2 3.31Å; N64-V68 WeakPolarHBondContact O-CG2 3.31Å; N64-V68 PolarHBondContact O-N 3.26Å |
| 65 | E | 94 | Very high | 90.2 | Very high | 107 Ų | 107 | 96.3 Ų | 96.3 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 174.4 | -72.2 | 167.1 | -164 | 0 | 0 | 110.9 | R61 C62 V68 V69 | R61-E65 IonicContact NH2-OE1 2.56Å; R61-E65 WeakPolarHBondContact O-CG 3.21Å; R61-E65 PolarHBondContact O-N 2.97Å; C62-E65 PolarHBondContact O-N 3.13Å; E65-V68 PolarHBondContact O-N 2.9Å; E65-V69 WeakPolarHBondContact O-CG2 3.36Å; E65-V69 PolarHBondContact O-N 3.23Å; E65-V69 VanDerWaalsContact O-N 3.14Å |
| 66 | E | 91.2 | Very high | 90.1 | Very high | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 174.4 | -172.6 | -169.2 | -163 | 0 | 0 | 112.8 | C62 R63 N64 V68 V69 Q70 | C62-E66 PolarHBondContact O-N 3.47Å; R63-E66 WeakPolarHBondContact CD-OE2 3.4Å; R63-E66 IonicContact CZ-OE2 3.65Å; R63-E66 IonicContact NE-OE2 2.64Å; R63-E66 IonicContact NH1-OE2 3.44Å; R63-E66 PolarHBondContact NH1-OE2 3.06Å; R63-E66 PolarHBondContact O-N 2.88Å; N64-E66 VanDerWaalsContact C-N 3.33Å; N64-E66 PolarHBondContact O-N 2.65Å; E66-V68 VanDerWaalsContact C-N 3.34Å; E66-V68 PolarHBondContact O-N 3.13Å; E66-V69 PolarHBondContact O-N 3.24Å; E66-Q70 WeakPolarHBondContact O-CB 3.33Å; E66-Q70 PolarHBondContact O-N 3.34Å |
| 67 | L | 85 | Confident | 90.2 | Very high | 73 Ų | 73 | 100.7 Ų | 100.7 | 38% | 0.382 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 177.3 | -81.6 | 174.8 | 0 | 0 | 0 | 112.6 | R63 N64 Q70 L71 | R63-L67 WeakPolarHBondContact O-CB 3.28Å; R63-L67 WeakPolarHBondContact O-CG 3.28Å; R63-L67 PolarHBondContact O-N 3.07Å; N64-L67 PolarHBondContact O-N 2.93Å; L67-Q70 PolarHBondContact O-N 2.97Å; L67-L71 WeakPolarHBondContact O-CB 3.41Å; L67-L71 PolarHBondContact O-N 3.21Å |
| 68 | V | 91.9 | Very high | 90 | Very high | 94 Ų | 94 | 99.9 Ų | 99.9 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -46.7 | 176.4 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | N64 E65 E66 Q70 L71 E72 | N64-V68 VanDerWaalsContact O-CG2 3.31Å; N64-V68 WeakPolarHBondContact O-CG2 3.31Å; N64-V68 PolarHBondContact O-N 3.26Å; E65-V68 PolarHBondContact O-N 2.9Å; E66-V68 VanDerWaalsContact C-N 3.34Å; E66-V68 PolarHBondContact O-N 3.13Å; V68-Q70 VanDerWaalsContact C-N 3.3Å; V68-Q70 PolarHBondContact O-N 2.94Å; V68-L71 WeakPolarHBondContact O-CB 3.2Å; V68-L71 PolarHBondContact O-N 3.31Å; V68-E72 PolarHBondContact O-N 2.99Å |
| 69 | V | 91.9 | Very high | 89.9 | Confident | 92 Ų | 92 | 99.2 Ų | 99.2 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.3 | -40.1 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | E65 E66 E72 S73 | E65-V69 WeakPolarHBondContact O-CG2 3.36Å; E65-V69 PolarHBondContact O-N 3.23Å; E65-V69 VanDerWaalsContact O-N 3.14Å; E66-V69 PolarHBondContact O-N 3.24Å; V69-E72 PolarHBondContact O-N 3.37Å; V69-S73 WeakPolarHBondContact O-CB 3.32Å; V69-S73 PolarHBondContact O-N 3.2Å |
| 70 | Q | 92.5 | Very high | 90 | Very high | 111 Ų | 111 | 100.8 Ų | 100.8 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 176.7 | -167.7 | 172.8 | 20.6 | 0 | 0 | 111.9 | E66 L67 V68 S73 S74 | E66-Q70 WeakPolarHBondContact O-CB 3.33Å; E66-Q70 PolarHBondContact O-N 3.34Å; L67-Q70 PolarHBondContact O-N 2.97Å; V68-Q70 VanDerWaalsContact C-N 3.3Å; V68-Q70 PolarHBondContact O-N 2.94Å; Q70-S73 PolarHBondContact O-N 2.9Å; Q70-S73 PolarHBondContact O-OG 3.38Å; Q70-S74 PolarHBondContact O-N 2.96Å; Q70-S74 PolarHBondContact O-OG 3.48Å |
| 71 | L | 84 | Confident | 89.9 | Confident | 121 Ų | 121 | 99.6 Ų | 99.6 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.4 | -48 | 175.1 | -168.6 | 106.3 | 0 | 0 | 0 | 110.8 | L67 V68 S73 S74 Q75 | L67-L71 WeakPolarHBondContact O-CB 3.41Å; L67-L71 PolarHBondContact O-N 3.21Å; V68-L71 WeakPolarHBondContact O-CB 3.2Å; V68-L71 PolarHBondContact O-N 3.31Å; L71-S73 PolarHBondContact O-N 2.95Å; L71-S74 WeakPolarHBondContact CA-OG 3.48Å; L71-S74 PolarHBondContact O-N 3.45Å; L71-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-OG 3.49Å; L71-Q75 WeakPolarHBondContact O-CB 3.36Å; L71-Q75 PolarHBondContact O-N 2.86Å |
| 72 | E | 91.5 | Very high | 89.9 | Confident | 136 Ų | 136 | 97.9 Ų | 97.9 | 64% | 0.636 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.6 | -44.8 | 177 | -171.5 | 176.3 | -172.7 | 0 | 0 | 111.8 | V68 V69 S74 Q75 L76 | V68-E72 PolarHBondContact O-N 2.99Å; V69-E72 PolarHBondContact O-N 3.37Å; E72-S74 VanDerWaalsContact C-N 3.28Å; E72-S74 PolarHBondContact O-N 3.44Å; E72-Q75 PolarHBondContact O-N 3.45Å; E72-L76 WeakPolarHBondContact O-CB 3.25Å; E72-L76 PolarHBondContact O-N 2.93Å |
| 73 | S | 88.6 | Confident | 90 | Very high | 53 Ų | 53 | 99.8 Ų | 99.8 | 37% | 0.371 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -32 | 175.7 | 82.2 | 0 | 0 | 0 | 0 | 113.5 | V69 Q70 L71 R77 | V69-S73 WeakPolarHBondContact O-CB 3.32Å; V69-S73 PolarHBondContact O-N 3.2Å; Q70-S73 PolarHBondContact O-N 2.9Å; Q70-S73 PolarHBondContact O-OG 3.38Å; L71-S73 PolarHBondContact O-N 2.95Å; S73-R77 PolarHBondContact O-N 3.25Å; S73-R77 PolarHBondContact O-NE 3.43Å |
| 74 | S | 80.5 | Confident | 90.1 | Very high | 48 Ų | 48 | 98.8 Ų | 98.8 | 34% | 0.336 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77.4 | -37.4 | 178.1 | 71.5 | 0 | 0 | 0 | 0 | 111.6 | Q70 L71 E72 R77 L78 | Q70-S74 PolarHBondContact O-N 2.96Å; Q70-S74 PolarHBondContact O-OG 3.48Å; L71-S74 WeakPolarHBondContact CA-OG 3.48Å; L71-S74 PolarHBondContact O-N 3.45Å; L71-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-OG 3.49Å; E72-S74 VanDerWaalsContact C-N 3.28Å; E72-S74 PolarHBondContact O-N 3.44Å; S74-R77 PolarHBondContact O-N 2.89Å; S74-L78 WeakPolarHBondContact O-CB 3.42Å; S74-L78 PolarHBondContact O-N 2.91Å; S74-L78 VanDerWaalsContact O-N 3.08Å |
| 75 | Q | 88.7 | Confident | 90.4 | Very high | 90 Ų | 90 | 100 Ų | 100 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 174.8 | -174.8 | 57.9 | 46.2 | 0 | 0 | 110.6 | L71 E72 R77 L78 D79 | L71-Q75 WeakPolarHBondContact O-CB 3.36Å; L71-Q75 PolarHBondContact O-N 2.86Å; E72-Q75 PolarHBondContact O-N 3.45Å; Q75-R77 VanDerWaalsContact C-N 3.35Å; Q75-R77 PolarHBondContact O-N 2.85Å; Q75-L78 WeakPolarHBondContact O-CB 3.45Å; Q75-L78 PolarHBondContact O-N 3.25Å; Q75-L78 VanDerWaalsContact O-N 3.11Å; Q75-D79 VanDerWaalsContact NE2-CG 3.29Å; Q75-D79 PolarHBondContact NE2-OD1 3.45Å; Q75-D79 VanDerWaalsContact NE2-OD1 3.08Å; Q75-D79 PolarHBondContact NE2-OD2 3.47Å; Q75-D79 PolarHBondContact O-N 3.42Å |
| 76 | L | 91.1 | Very high | 90.3 | Very high | 130 Ų | 130 | 98.3 Ų | 98.3 | 68% | 0.681 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 178.1 | -166.2 | 70.1 | 0 | 0 | 0 | 112.7 | E72 L78 D79 H80 | E72-L76 WeakPolarHBondContact O-CB 3.25Å; E72-L76 PolarHBondContact O-N 2.93Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L76-D79 PolarHBondContact O-N 3.32Å; L76-H80 WeakPolarHBondContact O-CB 3.16Å; L76-H80 PolarHBondContact O-N 3.37Å |
| 77 | R | 93.1 | Very high | 90.4 | Very high | 160 Ų | 160 | 97.6 Ų | 97.6 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -39.7 | 173.9 | -81.5 | -176.5 | -70.2 | 148.8 | -3.8 | 112.5 | S73 S74 Q75 T81 | S73-R77 PolarHBondContact O-N 3.25Å; S73-R77 PolarHBondContact O-NE 3.43Å; S74-R77 PolarHBondContact O-N 2.89Å; Q75-R77 VanDerWaalsContact C-N 3.35Å; Q75-R77 PolarHBondContact O-N 2.85Å; R77-T81 WeakPolarHBondContact O-CB 3.47Å; R77-T81 PolarHBondContact O-N 2.94Å; R77-T81 PolarHBondContact O-OG1 3.44Å |
| 78 | L | 85.6 | Confident | 90.8 | Very high | 85 Ų | 85 | 98.7 Ų | 98.7 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 179.5 | -174.7 | 146.4 | 0 | 0 | 0 | 110.8 | S74 Q75 L76 T81 K82 | S74-L78 WeakPolarHBondContact O-CB 3.42Å; S74-L78 PolarHBondContact O-N 2.91Å; S74-L78 VanDerWaalsContact O-N 3.08Å; Q75-L78 WeakPolarHBondContact O-CB 3.45Å; Q75-L78 PolarHBondContact O-N 3.25Å; Q75-L78 VanDerWaalsContact O-N 3.11Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L78-T81 PolarHBondContact O-N 3.42Å; L78-K82 HydrophobicContact CD2-CD 3.86Å; L78-K82 HydrophobicContact CD2-CG 4.39Å; L78-K82 WeakPolarHBondContact O-CG 3.41Å; L78-K82 PolarHBondContact O-N 2.95Å |
| 79 | D | 92.7 | Very high | 90.6 | Very high | 64 Ų | 64 | 99.2 Ų | 99.2 | 34% | 0.342 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 176.6 | -67 | -26.8 | 0 | 0 | 0 | 112.2 | Q75 L76 T81 K82 E83 | Q75-D79 VanDerWaalsContact NE2-CG 3.29Å; Q75-D79 PolarHBondContact NE2-OD1 3.45Å; Q75-D79 VanDerWaalsContact NE2-OD1 3.08Å; Q75-D79 PolarHBondContact NE2-OD2 3.47Å; Q75-D79 PolarHBondContact O-N 3.42Å; L76-D79 PolarHBondContact O-N 3.32Å; D79-T81 VanDerWaalsContact C-N 3.3Å; D79-T81 PolarHBondContact O-N 3.08Å; D79-K82 PolarHBondContact O-N 2.89Å; D79-K82 IonicContact OD1-NZ 2.82Å; D79-K82 PolarHBondContact OD1-NZ 2.92Å; D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 2.72Å |
| 80 | H | 95 | Very high | 90.7 | Very high | 113 Ų | 113 | 102.1 Ų | 102.1 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 170.2 | -179.3 | 62.2 | 0 | 0 | 0 | 112 | L76 E83 L84 | L76-H80 WeakPolarHBondContact O-CB 3.16Å; L76-H80 PolarHBondContact O-N 3.37Å; H80-E83 PolarHBondContact O-N 2.88Å; H80-L84 WeakPolarHBondContact O-CG 3.5Å; H80-L84 PolarHBondContact O-N 3.49Å; H80-L84 VanDerWaalsContact O-N 3.1Å |
| 81 | T | 86.2 | Confident | 90.8 | Very high | 68 Ų | 68 | 102 Ų | 102 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 178.1 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | R77 L78 D79 E83 L84 F85 | R77-T81 WeakPolarHBondContact O-CB 3.47Å; R77-T81 PolarHBondContact O-N 2.94Å; R77-T81 PolarHBondContact O-OG1 3.44Å; L78-T81 PolarHBondContact O-N 3.42Å; D79-T81 VanDerWaalsContact C-N 3.3Å; D79-T81 PolarHBondContact O-N 3.08Å; T81-E83 VanDerWaalsContact C-N 3.31Å; T81-E83 PolarHBondContact O-N 2.88Å; T81-L84 PolarHBondContact O-N 3.47Å; T81-F85 HydrophobicContact CG2-CD2 4.07Å; T81-F85 HydrophobicContact CG2-CE2 3.73Å; T81-F85 VanDerWaalsContact O-CD2 3.23Å; T81-F85 WeakPolarHBondContact O-CD2 3.29Å; T81-F85 PolarHBondContact O-N 3.29Å |
| 82 | K | 93 | Very high | 91.1 | Very high | 110 Ų | 110 | 101.7 Ų | 101.7 | 48% | 0.478 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 173.7 | -76.5 | 172.4 | 178.4 | 159.7 | 0 | 111.4 | L78 D79 L84 F85 V86 | L78-K82 HydrophobicContact CD2-CD 3.86Å; L78-K82 HydrophobicContact CD2-CG 4.39Å; L78-K82 WeakPolarHBondContact O-CG 3.41Å; L78-K82 PolarHBondContact O-N 2.95Å; D79-K82 PolarHBondContact O-N 2.89Å; D79-K82 IonicContact OD1-NZ 2.82Å; D79-K82 PolarHBondContact OD1-NZ 2.92Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.42Å; K82-F85 PolarHBondContact O-N 3Å; K82-V86 WeakPolarHBondContact O-CG2 3.45Å; K82-V86 PolarHBondContact O-N 3.11Å |
| 83 | E | 95.2 | Very high | 91.1 | Very high | 121 Ų | 121 | 99.7 Ų | 99.7 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.5 | -41.3 | 179 | -175.4 | 147.5 | -143.4 | 0 | 0 | 111.8 | D79 H80 T81 F85 V86 Q87 | D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 2.72Å; H80-E83 PolarHBondContact O-N 2.88Å; T81-E83 VanDerWaalsContact C-N 3.31Å; T81-E83 PolarHBondContact O-N 2.88Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3.23Å; E83-V86 PolarHBondContact O-N 3.26Å; E83-Q87 WeakPolarHBondContact O-CB 3.39Å; E83-Q87 PolarHBondContact O-N 2.87Å |
| 84 | L | 95 | Very high | 91.4 | Very high | 83 Ų | 83 | 102.8 Ų | 102.8 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 172.9 | -68.5 | 174.7 | 0 | 0 | 0 | 112.6 | H80 T81 K82 Q87 Q88 | H80-L84 WeakPolarHBondContact O-CG 3.5Å; H80-L84 PolarHBondContact O-N 3.49Å; H80-L84 VanDerWaalsContact O-N 3.1Å; T81-L84 PolarHBondContact O-N 3.47Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.42Å; L84-Q87 PolarHBondContact O-N 3.44Å; L84-Q88 WeakPolarHBondContact O-CG 3.34Å; L84-Q88 PolarHBondContact O-N 3.44Å |
| 85 | F | 90.6 | Very high | 91.9 | Very high | 125 Ų | 125 | 105.5 Ų | 105.5 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 176.2 | -78.9 | -61.3 | 0 | 0 | 0 | 112.6 | T81 K82 E83 Q87 Q88 L89 | T81-F85 HydrophobicContact CG2-CD2 4.07Å; T81-F85 HydrophobicContact CG2-CE2 3.73Å; T81-F85 VanDerWaalsContact O-CD2 3.23Å; T81-F85 WeakPolarHBondContact O-CD2 3.29Å; T81-F85 PolarHBondContact O-N 3.29Å; K82-F85 PolarHBondContact O-N 3Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3.23Å; F85-Q87 VanDerWaalsContact C-N 3.27Å; F85-Q87 PolarHBondContact O-N 3.32Å; F85-Q88 PolarHBondContact O-N 3.46Å; F85-L89 WeakPolarHBondContact O-CG 3.48Å; F85-L89 PolarHBondContact O-N 2.97Å |
| 86 | V | 93.2 | Very high | 91.8 | Very high | 71 Ų | 71 | 105.1 Ų | 105.1 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 175.3 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | K82 E83 L89 R90 | K82-V86 WeakPolarHBondContact O-CG2 3.45Å; K82-V86 PolarHBondContact O-N 3.11Å; E83-V86 PolarHBondContact O-N 3.26Å; V86-L89 PolarHBondContact O-N 3.37Å; V86-R90 PolarHBondContact O-N 3.29Å |
| 87 | Q | 93.6 | Very high | 91.7 | Very high | 101 Ų | 101 | 102.2 Ų | 102.2 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 176.5 | -169.4 | 160.5 | 9.2 | 0 | 0 | 111.9 | E83 L84 F85 L89 R90 E91 | E83-Q87 WeakPolarHBondContact O-CB 3.39Å; E83-Q87 PolarHBondContact O-N 2.87Å; L84-Q87 PolarHBondContact O-N 3.44Å; F85-Q87 VanDerWaalsContact C-N 3.27Å; F85-Q87 PolarHBondContact O-N 3.32Å; Q87-L89 VanDerWaalsContact C-N 3.3Å; Q87-L89 PolarHBondContact O-N 2.97Å; Q87-R90 WeakPolarHBondContact O-CB 3.44Å; Q87-R90 PolarHBondContact O-N 3.21Å; Q87-E91 WeakPolarHBondContact O-CG 3.35Å; Q87-E91 PolarHBondContact O-N 3.03Å |
| 88 | Q | 93 | Very high | 91.6 | Very high | 96 Ų | 96 | 101.5 Ų | 101.5 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -33.5 | 174.5 | -75.7 | -174.3 | -4.1 | 0 | 0 | 113.6 | L84 F85 K92 | L84-Q88 WeakPolarHBondContact O-CG 3.34Å; L84-Q88 PolarHBondContact O-N 3.44Å; F85-Q88 PolarHBondContact O-N 3.46Å; Q88-K92 WeakPolarHBondContact O-CG 3.35Å; Q88-K92 PolarHBondContact O-N 2.74Å; Q88-K92 VanDerWaalsContact O-N 3.13Å |
| 89 | L | 88.3 | Confident | 91.5 | Very high | 106 Ų | 106 | 102.7 Ų | 102.7 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69 | -45.1 | 174.2 | -73.4 | 169.7 | 0 | 0 | 0 | 110.6 | F85 V86 Q87 E91 K92 D93 | F85-L89 WeakPolarHBondContact O-CG 3.48Å; F85-L89 PolarHBondContact O-N 2.97Å; V86-L89 PolarHBondContact O-N 3.37Å; Q87-L89 VanDerWaalsContact C-N 3.3Å; Q87-L89 PolarHBondContact O-N 2.97Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 2.94Å; L89-K92 PolarHBondContact O-N 3.46Å; L89-K92 VanDerWaalsContact O-N 3.09Å; L89-D93 PolarHBondContact O-N 2.89Å |
| 90 | R | 92.9 | Very high | 91 | Very high | 152 Ų | 152 | 105.5 Ų | 105.5 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -55.8 | -45 | 173.6 | -106.1 | -173.6 | -87.3 | 170 | -6.2 | 112.3 | V86 Q87 K92 D93 I94 | V86-R90 PolarHBondContact O-N 3.29Å; Q87-R90 WeakPolarHBondContact O-CB 3.44Å; Q87-R90 PolarHBondContact O-N 3.21Å; R90-K92 VanDerWaalsContact C-N 3.34Å; R90-K92 PolarHBondContact O-N 2.73Å; R90-D93 PolarHBondContact O-N 3.43Å; R90-I94 VanDerWaalsContact O-CG1 3.3Å; R90-I94 WeakPolarHBondContact O-CG1 3.41Å; R90-I94 PolarHBondContact O-N 3.31Å |
| 91 | E | 94.2 | Very high | 90.4 | Very high | 110 Ų | 110 | 102.4 Ų | 102.4 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 176.2 | -74.1 | 175.5 | -174.4 | 0 | 0 | 112.4 | Q87 L89 I94 L95 | Q87-E91 WeakPolarHBondContact O-CG 3.35Å; Q87-E91 PolarHBondContact O-N 3.03Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 2.94Å; E91-I94 PolarHBondContact O-N 3.45Å; E91-L95 PolarHBondContact O-N 2.89Å |
| 92 | K | 90.2 | Very high | 90.1 | Very high | 113 Ų | 113 | 104 Ų | 104 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68 | -39.4 | 176.1 | -74.6 | -172.9 | -177.6 | 76.6 | 0 | 112.2 | Q88 L89 R90 I94 L95 I96 | Q88-K92 WeakPolarHBondContact O-CG 3.35Å; Q88-K92 PolarHBondContact O-N 2.74Å; Q88-K92 VanDerWaalsContact O-N 3.13Å; L89-K92 PolarHBondContact O-N 3.46Å; L89-K92 VanDerWaalsContact O-N 3.09Å; R90-K92 VanDerWaalsContact C-N 3.34Å; R90-K92 PolarHBondContact O-N 2.73Å; K92-I94 VanDerWaalsContact C-N 3.34Å; K92-I94 PolarHBondContact O-N 3.1Å; K92-L95 WeakPolarHBondContact O-CB 3.43Å; K92-L95 PolarHBondContact O-N 3.47Å; K92-I96 VanDerWaalsContact O-CG1 3.25Å; K92-I96 WeakPolarHBondContact O-CG1 3.42Å; K92-I96 PolarHBondContact O-N 3.45Å |
| 93 | D | 93.2 | Very high | 89.1 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 176.9 | -72.5 | -30.7 | 0 | 0 | 0 | 112.1 | L89 R90 I96 S97 | L89-D93 PolarHBondContact O-N 2.89Å; R90-D93 PolarHBondContact O-N 3.43Å; D93-I96 PolarHBondContact O-N 3.43Å; D93-S97 WeakPolarHBondContact O-CB 3.48Å; D93-S97 PolarHBondContact O-N 2.87Å; D93-S97 PolarHBondContact O-OG 2.82Å |
| 94 | I | 93 | Very high | 88 | Confident | 118 Ų | 118 | 101.4 Ų | 101.4 | 61% | 0.605 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.2 | -44.1 | 172.4 | -67.8 | 165.5 | 0 | 0 | 0 | 110.6 | R90 E91 K92 S97 K98 | R90-I94 VanDerWaalsContact O-CG1 3.3Å; R90-I94 WeakPolarHBondContact O-CG1 3.41Å; R90-I94 PolarHBondContact O-N 3.31Å; E91-I94 PolarHBondContact O-N 3.45Å; K92-I94 VanDerWaalsContact C-N 3.34Å; K92-I94 PolarHBondContact O-N 3.1Å; I94-S97 PolarHBondContact O-N 2.94Å; I94-K98 WeakPolarHBondContact O-CB 3.37Å; I94-K98 PolarHBondContact O-N 3.29Å |
| 95 | L | 92.4 | Very high | 86.8 | Confident | 105 Ų | 105 | 103.2 Ų | 103.2 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 175.4 | -95.4 | 165.3 | 0 | 0 | 0 | 112.2 | E91 K92 K98 L99 | E91-L95 PolarHBondContact O-N 2.89Å; K92-L95 WeakPolarHBondContact O-CB 3.43Å; K92-L95 PolarHBondContact O-N 3.47Å; L95-K98 PolarHBondContact O-N 3.3Å; L95-L99 WeakPolarHBondContact O-CB 3.36Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.39Å |
| 96 | I | 86.7 | Confident | 85.5 | Confident | 83 Ų | 83 | 105 Ų | 105 | 43% | 0.426 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.2 | -69.9 | 164.4 | 0 | 0 | 0 | 110 | K92 D93 K98 L99 Q100 | K92-I96 VanDerWaalsContact O-CG1 3.25Å; K92-I96 WeakPolarHBondContact O-CG1 3.42Å; K92-I96 PolarHBondContact O-N 3.45Å; D93-I96 PolarHBondContact O-N 3.43Å; I96-K98 VanDerWaalsContact C-N 3.32Å; I96-K98 PolarHBondContact O-N 2.85Å; I96-L99 PolarHBondContact O-N 3.19Å; I96-Q100 HydrophobicContact CG2-CG 4.36Å; I96-Q100 WeakPolarHBondContact O-CB 3.45Å; I96-Q100 VanDerWaalsContact O-CG 3.31Å; I96-Q100 WeakPolarHBondContact O-CG 3.47Å; I96-Q100 PolarHBondContact O-N 3.33Å |
| 97 | S | 88.4 | Confident | 83.2 | Confident | 69 Ų | 69 | 111.6 Ų | 111.6 | 48% | 0.483 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.2 | -40.9 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 112 | D93 I94 Q100 A101 | D93-S97 WeakPolarHBondContact O-CB 3.48Å; D93-S97 PolarHBondContact O-N 2.87Å; D93-S97 PolarHBondContact O-OG 2.82Å; I94-S97 PolarHBondContact O-N 2.94Å; S97-Q100 PolarHBondContact O-N 3.16Å; S97-A101 WeakPolarHBondContact O-CB 3.32Å; S97-A101 PolarHBondContact O-N 2.85Å |
| 98 | K | 91.3 | Very high | 80.8 | Confident | 144 Ų | 144 | 109.7 Ų | 109.7 | 63% | 0.626 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.5 | -43.4 | 176.3 | -170 | 175.5 | -178 | 179 | 0 | 111.8 | I94 L95 I96 A101 E102 | I94-K98 WeakPolarHBondContact O-CB 3.37Å; I94-K98 PolarHBondContact O-N 3.29Å; L95-K98 PolarHBondContact O-N 3.3Å; I96-K98 VanDerWaalsContact C-N 3.32Å; I96-K98 PolarHBondContact O-N 2.85Å; K98-A101 PolarHBondContact O-N 2.89Å; K98-E102 PolarHBondContact O-N 2.65Å |
| 99 | L | 82.7 | Confident | 78.2 | Confident | 111 Ų | 111 | 113.4 Ų | 113.4 | 58% | 0.581 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.2 | -39 | 175.7 | -72.5 | 170.9 | 0 | 0 | 0 | 111.8 | L95 I96 E102 V103 | L95-L99 WeakPolarHBondContact O-CB 3.36Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.39Å; I96-L99 PolarHBondContact O-N 3.19Å; L99-E102 PolarHBondContact O-N 2.68Å; L99-V103 WeakPolarHBondContact O-CB 3.44Å; L99-V103 VanDerWaalsContact O-CG2 3.24Å; L99-V103 WeakPolarHBondContact O-CG2 3.48Å; L99-V103 PolarHBondContact O-N 3.2Å |
| 100 | Q | 82.8 | Confident | 75.8 | Confident | 122 Ų | 122 | 114.7 Ų | 114.7 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.9 | -43.9 | 174.3 | -75.8 | 176.6 | -23.8 | 0 | 0 | 111.6 | I96 S97 V103 S104 | I96-Q100 HydrophobicContact CG2-CG 4.36Å; I96-Q100 WeakPolarHBondContact O-CB 3.45Å; I96-Q100 VanDerWaalsContact O-CG 3.31Å; I96-Q100 WeakPolarHBondContact O-CG 3.47Å; I96-Q100 PolarHBondContact O-N 3.33Å; S97-Q100 PolarHBondContact O-N 3.16Å; Q100-V103 PolarHBondContact O-N 3.44Å; Q100-S104 PolarHBondContact O-N 2.87Å; Q100-S104 PolarHBondContact O-OG 2.87Å |
| 101 | A | 81.9 | Confident | 73 | Confident | 48 Ų | 48 | 116.1 Ų | 116.1 | 40% | 0.397 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.3 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S97 K98 S104 N105 | S97-A101 WeakPolarHBondContact O-CB 3.32Å; S97-A101 PolarHBondContact O-N 2.85Å; K98-A101 PolarHBondContact O-N 2.89Å; A101-S104 PolarHBondContact O-N 2.81Å; A101-N105 WeakPolarHBondContact O-CB 3.45Å; A101-N105 PolarHBondContact O-N 2.86Å; A101-N105 PolarHBondContact O-ND2 3.48Å; A101-N105 PolarHBondContact O-OD1 2.83Å |
| 102 | E | 79.5 | Confident | 69.9 | Low | 102 Ų | 102 | 114 Ų | 114 | 48% | 0.477 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.7 | -42.7 | 175.3 | -159.5 | 72.2 | -134.3 | 0 | 0 | 111.4 | K98 L99 S104 N105 E106 | K98-E102 PolarHBondContact O-N 2.65Å; L99-E102 PolarHBondContact O-N 2.68Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.37Å; E102-N105 PolarHBondContact O-N 3.44Å; E102-E106 PolarHBondContact O-N 2.89Å |
| 103 | V | 73 | Confident | 67.2 | Low | 95 Ų | 95 | 118.2 Ų | 118.2 | 58% | 0.576 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64 | -37.3 | 175.7 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | L99 Q100 R107 | L99-V103 WeakPolarHBondContact O-CB 3.44Å; L99-V103 VanDerWaalsContact O-CG2 3.24Å; L99-V103 WeakPolarHBondContact O-CG2 3.48Å; L99-V103 PolarHBondContact O-N 3.2Å; Q100-V103 PolarHBondContact O-N 3.44Å; V103-R107 WeakPolarHBondContact O-CB 3.44Å; V103-R107 PolarHBondContact O-N 3.43Å |
| 104 | S | 71.9 | Confident | 64.2 | Low | 81 Ų | 81 | 119.3 Ų | 119.3 | 57% | 0.566 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.5 | -39.3 | 173.6 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | Q100 A101 E102 R107 | Q100-S104 PolarHBondContact O-N 2.87Å; Q100-S104 PolarHBondContact O-OG 2.87Å; A101-S104 PolarHBondContact O-N 2.81Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.37Å; S104-R107 PolarHBondContact O-N 3.18Å |
| 105 | N | 69.8 | Low | 61.1 | Low | 121 Ų | 121 | 122.8 Ų | 122.8 | 65% | 0.647 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.3 | -37.6 | 179.2 | -68.3 | -19.5 | 0 | 0 | 0 | 112.6 | A101 E102 R107 | A101-N105 WeakPolarHBondContact O-CB 3.45Å; A101-N105 PolarHBondContact O-N 2.86Å; A101-N105 PolarHBondContact O-ND2 3.48Å; A101-N105 PolarHBondContact O-OD1 2.83Å; E102-N105 PolarHBondContact O-N 3.44Å; N105-R107 PolarHBondContact O-N 2.91Å |
| 106 | E | 63 | Low | 58 | Low | 164 Ų | 164 | 122.5 Ų | 122.5 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.1 | -25.3 | 173.9 | -78.4 | -162.9 | 158.5 | 0 | 0 | 112.3 | E102 G108 | E102-E106 PolarHBondContact O-N 2.89Å; E106-G108 PolarHBondContact O-N 3.36Å |
| 107 | R | 46.2 | Very low | 55.1 | Low | 209 Ų | 209 | 123.9 Ų | 123.9 | 79% | 0.789 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -82.1 | 56 | 175 | -151.8 | 177.1 | -143.2 | -88.5 | 1.9 | 110.6 | V103 S104 N105 E109 | V103-R107 WeakPolarHBondContact O-CB 3.44Å; V103-R107 PolarHBondContact O-N 3.43Å; S104-R107 PolarHBondContact O-N 3.18Å; N105-R107 PolarHBondContact O-N 2.91Å; R107-E109 PolarHBondContact O-N 2.82Å |
| 108 | G | 43 | Very low | 52.3 | Low | 60 Ų | 60 | 128.5 Ų | 128.5 | 62% | 0.619 | 71% | 0.709 | S | S | * | * | trans | -50.8 | 122.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E106 | E106-G108 PolarHBondContact O-N 3.36Š| ||
| 109 | E | 36.8 | Very low | 49.1 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | trans | -66.6 | 133.4 | 172.1 | -75.8 | -157.1 | 141.2 | 0 | 0 | 111.3 | R107 E111 | R107-E109 PolarHBondContact O-N 2.82Å; E109-E111 PolarHBondContact O-N 3.42Å | ||
| 110 | P | 38.2 | Very low | 46.5 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | trans | -85.9 | 90.5 | 165.4 | 32.4 | -26.6 | 0 | 0 | 0 | 108.9 | G112 | P110-G112 PolarHBondContact O-N 3.36Š| ||
| 111 | E | 33.9 | Very low | 43.8 | Very low | 182 Ų | 182 | 125.7 Ų | 125.7 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | trans | -75.1 | 112.5 | 173.2 | -151.9 | 179.9 | -172.6 | 0 | 0 | 110.1 | E109 | E109-E111 PolarHBondContact O-N 3.42Š| ||
| 112 | G | 29.6 | Very low | 41 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | trans | 60.9 | 99.2 | 146.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | P110 | P110-G112 PolarHBondContact O-N 3.36Š| ||
| 113 | Q | 33.9 | Very low | 38.4 | Very low | 201 Ų | 201 | 129.3 Ų | 129.3 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | trans | -150.3 | 103.5 | 146 | -111.2 | 175.1 | -39.2 | 0 | 0 | 111.5 | ||||
| 114 | P | 30.4 | Very low | 36.1 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -90.1 | 159 | 163.4 | 33.7 | -26.3 | 0 | 0 | 0 | 110.9 | ||||
| 115 | E | 26.9 | Very low | 34.1 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | 98 | 89.9 | 174.3 | -53.9 | -163.4 | 169.3 | 0 | 0 | 117.5 | ||||
| 116 | A | 27 | Very low | 32.1 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | 52.5 | 131.7 | 119.6 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 117 | S | 25.7 | Very low | 30.3 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | 83.1 | 93.5 | 148.2 | -165.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 118 | L | 31.4 | Very low | 29.3 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -175 | 95 | 133.3 | -98 | 145.4 | 0 | 0 | 0 | 109.2 | ||||
| 119 | G | 22.6 | Very low | 28.4 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -74 | 143.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 120 | T | 29.2 | Very low | 27.8 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | 172.9 | 109.5 | 148.7 | -80.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 121 | T | 25.7 | Very low | 27.4 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | 77.2 | 103.6 | 134.5 | -49.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 122 | S | 23 | Very low | 27 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | 40.4 | 116.8 | 117 | -166 | 0 | 0 | 0 | 0 | 119 | |||||
| 123 | C | 25.1 | Very low | 26.9 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 86% | 0.858 | 82% | 0.815 | S | S | * | * | -157.3 | 120.9 | 129.8 | -91.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 124 | L | 23.9 | Very low | 26.5 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -81.1 | 129.9 | 164.6 | -74.1 | 157.1 | 0 | 0 | 0 | 108.8 | ||||
| 125 | I | 31.1 | Very low | 26.4 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -139.9 | 121.4 | 155.1 | -60.8 | -175.7 | 0 | 0 | 0 | 109.4 | ||||
| 126 | D | 26.4 | Very low | 26.4 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | -61.8 | 137.6 | 175.2 | -66.7 | -54 | 0 | 0 | 0 | 113.3 | ||||
| 127 | N | 25.6 | Very low | 26.2 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -114.5 | 101.2 | 162.1 | -87.5 | -23.2 | 0 | 0 | 0 | 108.8 | ||||
| 128 | S | 25.9 | Very low | 26.5 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -112.6 | 145.8 | 167 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 129 | A | 23.5 | Very low | 26.3 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -57.2 | 132.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 130 | T | 25 | Very low | 26.8 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -164.9 | 117.8 | 142.2 | -12.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 131 | K | 29 | Very low | 26.6 | Very low | 204 Ų | 204 | 145.7 Ų | 145.7 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | 164.9 | 99.4 | 128.3 | -90.9 | 166.9 | 179.1 | 176.2 | 0 | 111.8 | |||||
| 132 | S | 25.3 | Very low | 27.1 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -64.2 | 138.2 | 144.9 | 164 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 133 | G | 27.7 | Very low | 27.4 | Very low | 69 Ų | 69 | 146.2 Ų | 146.2 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | 164.2 | 50.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R135 | G133-R135 PolarHBondContact O-N 3.39Š| ||
| 134 | L | 26.7 | Very low | 27.6 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 98% | 0.979 | 81% | 0.81 | S | S | * | * | trans | -68.2 | 105.8 | 171.5 | -174.4 | 70.2 | 0 | 0 | 0 | 109.4 | ||||
| 135 | R | 27.9 | Very low | 28.1 | Very low | 224 Ų | 224 | 147.8 Ų | 147.8 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -124 | 103.9 | 173.5 | -148.7 | -177.1 | -165.5 | -113.3 | 3.7 | 110.1 | G133 | G133-R135 PolarHBondContact O-N 3.39Š| ||
| 136 | Q | 26.6 | Very low | 27.8 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 77% | 0.771 | 81% | 0.811 | S | S | * | * | trans | 49.6 | 113.9 | 142.3 | -136.4 | 161.2 | 11.7 | 0 | 0 | 119.9 | ||||
| 137 | Y | 22.2 | Very low | 27.8 | Very low | 231 Ų | 231 | 146.4 Ų | 146.4 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -45.8 | 133.2 | 166.8 | -84 | -104.7 | 0 | 0 | 0 | 114.3 | ||||
| 138 | P | 33.5 | Very low | 28.4 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | trans | -92.2 | 118 | 154.9 | 6 | 14.3 | 0 | 0 | 0 | 109.9 | ||||
| 139 | D | 26 | Very low | 28.5 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -68.4 | 116.7 | 168.3 | -170.1 | 9.7 | 0 | 0 | 0 | 109.3 | ||||
| 140 | L | 34.1 | Very low | 28.8 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -120.2 | 86.7 | 170 | -71.1 | 179.8 | 0 | 0 | 0 | 108.6 | ||||
| 141 | A | 25.3 | Very low | 29.3 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -75.6 | 117.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 142 | S | 34.3 | Very low | 29.4 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -171.3 | 138.8 | 171 | -164.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 143 | D | 29.7 | Very low | 29.8 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | cis | -171.8 | 138.1 | -16.2 | -161.2 | 1.1 | 0 | 0 | 0 | 103.6 | ||||
| 144 | N | 29.6 | Very low | 30.1 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 65% | 0.647 | 79% | 0.786 | S | S | * | * | trans | 26.9 | 103.9 | 156 | -61.7 | -15.6 | 0 | 0 | 0 | 120.6 | ||||
| 145 | H | 34.2 | Very low | 30.7 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 93% | 0.931 | 77% | 0.774 | S | S | * | * | trans | -120.8 | 120.8 | 143.2 | -78.7 | 2.5 | 0 | 0 | 0 | 109.6 | ||||
| 146 | Q | 25.3 | Very low | 31.3 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -125.5 | 114 | -160.9 | 168.7 | 116 | 42.5 | 0 | 0 | 108.3 | ||||
| 147 | V | 27.4 | Very low | 32.1 | Very low | 117 Ų | 117 | 133 Ų | 133 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | trans | 70.8 | 157.6 | 145.5 | -176.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 148 | P | 36.3 | Very low | 33.3 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | cis | -132.8 | 162.4 | -5.4 | 20.7 | 4.4 | 0 | 0 | 0 | 118 | ||||
| 149 | S | 29.9 | Very low | 35.3 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | 57.7 | 125.2 | 133.1 | -58.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 150 | T | 29.6 | Very low | 37.2 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 69.5 | 88.2 | 136.4 | 61.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 151 | V | 34.5 | Very low | 39.1 | Very low | 126 Ų | 126 | 124 Ų | 124 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | trans | -142.5 | 122.8 | 134.4 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | H153 | V151-H153 VanDerWaalsContact CG1-CD2 3.5Å; V151-H153 WeakPolarHBondContact CG1-CD2 3.39Å | ||
| 152 | S | 31.1 | Very low | 41.4 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | -93 | 103.2 | 178.8 | -171 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 153 | H | 34.2 | Very low | 43.4 | Very low | 168 Ų | 168 | 122.7 Ų | 122.7 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | trans | -124.4 | 100.5 | 160 | -76.6 | -67.6 | 0 | 0 | 0 | 107.5 | V151 D155 | V151-H153 VanDerWaalsContact CG1-CD2 3.5Å; V151-H153 WeakPolarHBondContact CG1-CD2 3.39Å; H153-D155 VanDerWaalsContact C-N 3.31Å; H153-D155 PolarHBondContact O-N 2.86Å; H153-D155 VanDerWaalsContact O-N 3.16Å | ||
| 154 | S | 34.3 | Very low | 46.1 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | trans | -74.7 | 84.6 | 166.3 | 52.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 155 | D | 38 | Very low | 48.5 | Very low | 135 Ų | 135 | 119.8 Ų | 119.8 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | trans | -115.8 | 134.5 | 161.9 | -120.9 | -19.3 | 0 | 0 | 0 | 106.6 | H153 T157 | H153-D155 VanDerWaalsContact C-N 3.31Å; H153-D155 PolarHBondContact O-N 2.86Å; H153-D155 VanDerWaalsContact O-N 3.16Å; D155-T157 PolarHBondContact O-N 3.41Å; D155-T157 PolarHBondContact O-OG1 2.99Å | ||
| 156 | G | 42 | Very low | 50.9 | Low | 91 Ų | 91 | 115 Ų | 115 | 94% | 0.938 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -56.2 | 51.9 | -162.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 157 | T | 42.4 | Very low | 53.8 | Low | 116 Ų | 116 | 110 Ų | 110 | 71% | 0.712 | 64% | 0.636 | S | S | * | * | trans | -106 | 110.8 | -178.4 | -17.3 | 0 | 0 | 0 | 0 | 106.8 | D155 T159 | D155-T157 PolarHBondContact O-N 3.41Å; D155-T157 PolarHBondContact O-OG1 2.99Å; T157-T159 PolarHBondContact O-N 3.46Å; T157-T159 VanDerWaalsContact O-N 3.09Å | ||
| 158 | V | 47.9 | Very low | 56.8 | Low | 99 Ų | 99 | 108.9 Ų | 108.9 | 60% | 0.6 | 63% | 0.629 | S | S | * | * | trans | -35.4 | 116.1 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 109.6 | E162 | V158-E162 HydrophobicContact CG1-CB 3.97Š| ||
| 159 | T | 75.2 | Confident | 59.2 | Low | 75 Ų | 75 | 110.2 Ų | 110.2 | 46% | 0.46 | 63% | 0.626 | S | S | . | * | trans | -66.5 | 146.5 | -174.9 | 60.8 | 0 | 0 | 0 | 0 | 109.1 | T157 E161 E162 L163 | T157-T159 PolarHBondContact O-N 3.46Å; T157-T159 VanDerWaalsContact O-N 3.09Å; T159-E161 PolarHBondContact O-N 3.31Å; T159-E162 PolarHBondContact N-OE2 2.84Å; T159-E162 WeakPolarHBondContact O-CB 3.37Å; T159-E162 PolarHBondContact O-N 3.26Å; T159-E162 VanDerWaalsContact OG1-CD 3.26Å; T159-E162 VanDerWaalsContact OG1-CG 3.26Å; T159-E162 WeakPolarHBondContact OG1-CG 3.47Å; T159-E162 PolarHBondContact OG1-N 3.49Å; T159-E162 PolarHBondContact OG1-OE2 3.26Å; T159-L163 PolarHBondContact O-N 3.44Å | ||
| 160 | W | 66.9 | Low | 62 | Low | 182 Ų | 182 | 110.1 Ų | 110.1 | 69% | 0.689 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -54.2 | -27.1 | 176.5 | 177.9 | -111 | 0 | 0 | 0 | 112.9 | L163 K164 | W160-L163 HydrophobicContact CE3-CD2 3.95Å; W160-L163 HydrophobicContact CZ3-CD2 3.86Å; W160-K164 WeakPolarHBondContact O-CB 3.43Å; W160-K164 PolarHBondContact O-N 2.97Å |
| 161 | E | 74.4 | Confident | 64.8 | Low | 115 Ų | 115 | 112.2 Ų | 112.2 | 54% | 0.537 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.1 | -37.8 | 176.8 | -151.5 | 60.4 | -155.4 | 0 | 0 | 112.1 | T159 K164 T165 | T159-E161 PolarHBondContact O-N 3.31Å; E161-K164 WeakPolarHBondContact O-CB 3.41Å; E161-K164 PolarHBondContact O-N 3.36Å; E161-K164 IonicContact OE2-NZ 2.65Å; E161-K164 PolarHBondContact OE2-NZ 3.21Å; E161-T165 PolarHBondContact O-N 3.09Å; E161-T165 PolarHBondContact O-OG1 3Å; E161-T165 VanDerWaalsContact O-OG1 3.04Å |
| 162 | E | 72.2 | Confident | 67.3 | Low | 103 Ų | 103 | 108.8 Ų | 108.8 | 48% | 0.481 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.6 | -45.1 | 170.9 | -76.3 | 164.1 | 151.7 | 0 | 0 | 111.5 | V158 T159 K164 T165 E166 | V158-E162 HydrophobicContact CG1-CB 3.97Å; T159-E162 PolarHBondContact N-OE2 2.84Å; T159-E162 WeakPolarHBondContact O-CB 3.37Å; T159-E162 PolarHBondContact O-N 3.26Å; T159-E162 VanDerWaalsContact OG1-CD 3.26Å; T159-E162 VanDerWaalsContact OG1-CG 3.26Å; T159-E162 WeakPolarHBondContact OG1-CG 3.47Å; T159-E162 PolarHBondContact OG1-N 3.49Å; T159-E162 PolarHBondContact OG1-OE2 3.26Å; E162-K164 VanDerWaalsContact C-N 3.28Å; E162-K164 PolarHBondContact O-N 3.28Å; E162-T165 VanDerWaalsContact C-OG1 3.3Å; E162-T165 WeakPolarHBondContact CA-OG1 3.47Å; E162-T165 PolarHBondContact O-N 3.43Å; E162-T165 VanDerWaalsContact O-N 3.13Å; E162-T165 PolarHBondContact O-OG1 3.32Å; E162-E166 WeakPolarHBondContact O-CB 3.32Å; E162-E166 PolarHBondContact O-N 3.34Å |
| 163 | L | 76.9 | Confident | 69.8 | Low | 73 Ų | 73 | 107.2 Ų | 107.2 | 38% | 0.382 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.1 | -37.7 | 175.3 | -174.8 | 66.8 | 0 | 0 | 0 | 111.3 | T159 W160 E166 V167 | T159-L163 PolarHBondContact O-N 3.44Å; W160-L163 HydrophobicContact CE3-CD2 3.95Å; W160-L163 HydrophobicContact CZ3-CD2 3.86Å; L163-E166 PolarHBondContact O-N 3.32Å; L163-V167 WeakPolarHBondContact O-CB 3.44Å; L163-V167 WeakPolarHBondContact O-CG2 3.28Å; L163-V167 PolarHBondContact O-N 2.92Å |
| 164 | K | 86.4 | Confident | 72.1 | Confident | 98 Ų | 98 | 104.9 Ų | 104.9 | 43% | 0.426 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.6 | -46.1 | 172.3 | -101.4 | 178.1 | 178 | 173.6 | 0 | 111.9 | W160 E161 E162 E166 V167 V168 | W160-K164 WeakPolarHBondContact O-CB 3.43Å; W160-K164 PolarHBondContact O-N 2.97Å; E161-K164 WeakPolarHBondContact O-CB 3.41Å; E161-K164 PolarHBondContact O-N 3.36Å; E161-K164 IonicContact OE2-NZ 2.65Å; E161-K164 PolarHBondContact OE2-NZ 3.21Å; E162-K164 VanDerWaalsContact C-N 3.28Å; E162-K164 PolarHBondContact O-N 3.28Å; K164-E166 VanDerWaalsContact C-N 3.32Å; K164-V167 PolarHBondContact O-N 3.43Å; K164-V168 WeakPolarHBondContact O-CB 3.28Å; K164-V168 VanDerWaalsContact O-CG2 3.25Å; K164-V168 WeakPolarHBondContact O-CG2 3.42Å; K164-V168 PolarHBondContact O-N 3.04Å |
| 165 | T | 80.4 | Confident | 74.5 | Confident | 84 Ų | 84 | 102.8 Ų | 102.8 | 52% | 0.515 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.9 | -40.4 | 176.6 | 35.2 | 0 | 0 | 0 | 0 | 111.7 | E161 E162 V168 Q169 | E161-T165 PolarHBondContact O-N 3.09Å; E161-T165 PolarHBondContact O-OG1 3Å; E161-T165 VanDerWaalsContact O-OG1 3.04Å; E162-T165 VanDerWaalsContact C-OG1 3.3Å; E162-T165 WeakPolarHBondContact CA-OG1 3.47Å; E162-T165 PolarHBondContact O-N 3.43Å; E162-T165 VanDerWaalsContact O-N 3.13Å; E162-T165 PolarHBondContact O-OG1 3.32Å; T165-V168 WeakPolarHBondContact O-CB 3.37Å; T165-V168 PolarHBondContact O-N 2.91Å; T165-Q169 WeakPolarHBondContact O-CB 3.45Å; T165-Q169 PolarHBondContact O-N 3.15Å |
| 166 | E | 83.5 | Confident | 76.7 | Confident | 101 Ų | 101 | 102.5 Ų | 102.5 | 47% | 0.472 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 176.5 | -167.6 | 177.9 | -174 | 0 | 0 | 111.3 | E162 L163 K164 V168 Q169 L170 | E162-E166 WeakPolarHBondContact O-CB 3.32Å; E162-E166 PolarHBondContact O-N 3.34Å; L163-E166 PolarHBondContact O-N 3.32Å; K164-E166 VanDerWaalsContact C-N 3.32Å; E166-V168 VanDerWaalsContact C-N 3.3Å; E166-V168 PolarHBondContact O-N 3.3Å; E166-Q169 PolarHBondContact O-N 2.96Å; E166-Q169 VanDerWaalsContact O-N 3.15Å; E166-L170 HydrophobicContact CG-CD1 4.22Å; E166-L170 HydrophobicContact CG-CG 4.47Å; E166-L170 WeakPolarHBondContact O-CB 3.33Å; E166-L170 VanDerWaalsContact O-CG 3.32Å; E166-L170 WeakPolarHBondContact O-CG 3.38Å; E166-L170 PolarHBondContact O-N 3.44Å |
| 167 | V | 86.6 | Confident | 78.5 | Confident | 54 Ų | 54 | 105.8 Ų | 105.8 | 33% | 0.327 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 173.7 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | L163 K164 R171 | L163-V167 WeakPolarHBondContact O-CB 3.44Å; L163-V167 WeakPolarHBondContact O-CG2 3.28Å; L163-V167 PolarHBondContact O-N 2.92Å; K164-V167 PolarHBondContact O-N 3.43Å; V167-R171 WeakPolarHBondContact O-CB 3.28Å; V167-R171 VanDerWaalsContact O-CG 3.24Å; V167-R171 WeakPolarHBondContact O-CG 3.27Å; V167-R171 PolarHBondContact O-N 3.45Å |
| 168 | V | 89.3 | Confident | 80.4 | Confident | 94 Ų | 94 | 106.9 Ų | 106.9 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67 | -41.4 | 173.7 | 168.9 | 0 | 0 | 0 | 0 | 110.8 | K164 T165 E166 R171 A172 | K164-V168 WeakPolarHBondContact O-CB 3.28Å; K164-V168 VanDerWaalsContact O-CG2 3.25Å; K164-V168 WeakPolarHBondContact O-CG2 3.42Å; K164-V168 PolarHBondContact O-N 3.04Å; T165-V168 WeakPolarHBondContact O-CB 3.37Å; T165-V168 PolarHBondContact O-N 2.91Å; E166-V168 VanDerWaalsContact C-N 3.3Å; E166-V168 PolarHBondContact O-N 3.3Å; V168-R171 PolarHBondContact O-N 2.71Å; V168-A172 PolarHBondContact O-N 3Å |
| 169 | Q | 87.9 | Confident | 81.7 | Confident | 135 Ų | 135 | 109.6 Ų | 109.6 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.7 | -42.7 | 179.3 | -162.2 | 168.8 | 4.2 | 0 | 0 | 111.7 | T165 E166 R171 A172 E173 | T165-Q169 WeakPolarHBondContact O-CB 3.45Å; T165-Q169 PolarHBondContact O-N 3.15Å; E166-Q169 PolarHBondContact O-N 2.96Å; E166-Q169 VanDerWaalsContact O-N 3.15Å; Q169-R171 PolarHBondContact O-N 3.27Å; Q169-A172 CarbonylContact O-C 3.57Å; Q169-A172 WeakPolarHBondContact O-CB 3.48Å; Q169-A172 PolarHBondContact O-N 3.03Å; Q169-A172 VanDerWaalsContact O-N 3.12Å; Q169-E173 WeakPolarHBondContact O-CB 3.36Å; Q169-E173 PolarHBondContact O-N 3.37Å |
| 170 | L | 88.6 | Confident | 81.5 | Confident | 101 Ų | 101 | 110.3 Ų | 110.3 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 173 | -72.2 | 173.3 | 0 | 0 | 0 | 111.8 | E166 A172 E173 L174 | E166-L170 HydrophobicContact CG-CD1 4.22Å; E166-L170 HydrophobicContact CG-CG 4.47Å; E166-L170 WeakPolarHBondContact O-CB 3.33Å; E166-L170 VanDerWaalsContact O-CG 3.32Å; E166-L170 WeakPolarHBondContact O-CG 3.38Å; E166-L170 PolarHBondContact O-N 3.44Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-E173 PolarHBondContact O-N 2.94Å; L170-L174 VanDerWaalsContact O-CB 3.29Å; L170-L174 WeakPolarHBondContact O-CB 3.41Å; L170-L174 PolarHBondContact O-N 3.26Å |
| 171 | R | 89.1 | Confident | 81.5 | Confident | 173 Ų | 173 | 104.4 Ų | 104.4 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -39.4 | 171.1 | -78.3 | 176.1 | -173.9 | 165.7 | 4.6 | 111.5 | V167 V168 Q169 L174 T175 | V167-R171 WeakPolarHBondContact O-CB 3.28Å; V167-R171 VanDerWaalsContact O-CG 3.24Å; V167-R171 WeakPolarHBondContact O-CG 3.27Å; V167-R171 PolarHBondContact O-N 3.45Å; V168-R171 PolarHBondContact O-N 2.71Å; Q169-R171 PolarHBondContact O-N 3.27Å; R171-L174 PolarHBondContact O-N 2.84Å; R171-T175 WeakPolarHBondContact O-CG2 3.42Å; R171-T175 PolarHBondContact O-N 3.04Å |
| 172 | A | 86.4 | Confident | 80.9 | Confident | 53 Ų | 53 | 105.5 Ų | 105.5 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -47 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V168 Q169 L170 L174 T175 K176 | V168-A172 PolarHBondContact O-N 3Å; Q169-A172 CarbonylContact O-C 3.57Å; Q169-A172 WeakPolarHBondContact O-CB 3.48Å; Q169-A172 PolarHBondContact O-N 3.03Å; Q169-A172 VanDerWaalsContact O-N 3.12Å; L170-A172 VanDerWaalsContact C-N 3.34Å; A172-L174 PolarHBondContact O-N 3.37Å; A172-T175 PolarHBondContact O-N 2.83Å; A172-T175 PolarHBondContact O-OG1 2.72Å; A172-K176 PolarHBondContact O-N 3.25Å |
| 173 | E | 82.9 | Confident | 80.1 | Confident | 81 Ų | 81 | 108.4 Ų | 108.4 | 38% | 0.379 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -53 | -50.1 | 170.9 | -85.2 | -83.8 | 130 | 0 | 0 | 111.1 | Q169 L170 T175 K176 W177 | Q169-E173 WeakPolarHBondContact O-CB 3.36Å; Q169-E173 PolarHBondContact O-N 3.37Å; L170-E173 PolarHBondContact O-N 2.94Å; E173-T175 VanDerWaalsContact C-N 3.31Å; E173-T175 PolarHBondContact O-N 3.44Å; E173-K176 CarbonylContact O-C 3.56Å; E173-K176 WeakPolarHBondContact O-CA 3.44Å; E173-K176 WeakPolarHBondContact O-CB 3.42Å; E173-K176 PolarHBondContact O-N 2.95Å; E173-W177 PolarHBondContact O-N 2.82Å; E173-W177 PolarHBondContact OE2-NE1 3.47Å |
| 174 | L | 83.5 | Confident | 78.9 | Confident | 119 Ų | 119 | 112.9 Ų | 112.9 | 62% | 0.623 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63 | -36.5 | 179.5 | -162 | 147.5 | 0 | 0 | 0 | 111.8 | L170 R171 A172 K176 K178 | L170-L174 VanDerWaalsContact O-CB 3.29Å; L170-L174 WeakPolarHBondContact O-CB 3.41Å; L170-L174 PolarHBondContact O-N 3.26Å; R171-L174 PolarHBondContact O-N 2.84Å; A172-L174 PolarHBondContact O-N 3.37Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-K178 WeakPolarHBondContact O-CB 3.43Å; L174-K178 PolarHBondContact O-N 3.49Å |
| 175 | T | 83.2 | Confident | 77 | Confident | 76 Ų | 76 | 115.7 Ų | 115.7 | 47% | 0.466 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.7 | -30.8 | 171.4 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | R171 A172 E173 K179 | R171-T175 WeakPolarHBondContact O-CG2 3.42Å; R171-T175 PolarHBondContact O-N 3.04Å; A172-T175 PolarHBondContact O-N 2.83Å; A172-T175 PolarHBondContact O-OG1 2.72Å; E173-T175 VanDerWaalsContact C-N 3.31Å; E173-T175 PolarHBondContact O-N 3.44Å; T175-K179 WeakPolarHBondContact O-CB 3.4Å; T175-K179 VanDerWaalsContact O-CG 3.32Å; T175-K179 WeakPolarHBondContact O-CG 3.34Å; T175-K179 PolarHBondContact O-N 2.82Å |
| 176 | K | 85.2 | Confident | 75.3 | Confident | 129 Ų | 129 | 121.1 Ų | 121.1 | 56% | 0.561 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.3 | -52.1 | 175.4 | -140.2 | -178.5 | -174.2 | -176.5 | 0 | 110.1 | A172 E173 L174 K178 K179 I180 | A172-K176 PolarHBondContact O-N 3.25Å; E173-K176 CarbonylContact O-C 3.56Å; E173-K176 WeakPolarHBondContact O-CA 3.44Å; E173-K176 WeakPolarHBondContact O-CB 3.42Å; E173-K176 PolarHBondContact O-N 2.95Å; L174-K176 VanDerWaalsContact C-N 3.33Å; K176-K178 VanDerWaalsContact C-N 3.34Å; K176-K178 PolarHBondContact O-N 3.19Å; K176-K179 WeakPolarHBondContact O-CB 3.38Å; K176-K179 PolarHBondContact O-N 3.34Å; K176-K179 VanDerWaalsContact O-N 3.13Å; K176-I180 WeakPolarHBondContact O-CG1 3.4Å; K176-I180 PolarHBondContact O-N 3.31Å |
| 177 | W | 78.8 | Confident | 73.1 | Confident | 160 Ų | 160 | 119.4 Ų | 119.4 | 61% | 0.606 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.9 | -40.6 | 175.3 | -68.6 | 112.6 | 0 | 0 | 0 | 111.8 | E173 K179 I180 A181 | E173-W177 PolarHBondContact O-N 2.82Å; E173-W177 PolarHBondContact OE2-NE1 3.47Å; W177-K179 PolarHBondContact O-N 3.37Å; W177-I180 HydrophobicContact CE3-CD1 4.03Å; W177-I180 HydrophobicContact CZ3-CD1 4.27Å; W177-I180 PolarHBondContact O-N 2.97Å; W177-A181 WeakPolarHBondContact O-CB 3.47Å; W177-A181 PolarHBondContact O-N 3.18Å |
| 178 | K | 82.3 | Confident | 71 | Confident | 139 Ų | 139 | 121.7 Ų | 121.7 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.4 | -37.6 | 173.8 | -173.3 | 173 | 178.7 | 171.6 | 0 | 112.4 | L174 K176 K182 | L174-K178 WeakPolarHBondContact O-CB 3.43Å; L174-K178 PolarHBondContact O-N 3.49Å; K176-K178 VanDerWaalsContact C-N 3.34Å; K176-K178 PolarHBondContact O-N 3.19Å; K178-K182 WeakPolarHBondContact O-CB 3.43Å; K178-K182 PolarHBondContact O-N 3.24Å |
| 179 | K | 75.9 | Confident | 68.6 | Low | 157 Ų | 157 | 124 Ų | 124 | 68% | 0.683 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.9 | -41.2 | 173.7 | -80.7 | 175.2 | -178.5 | 175 | 0 | 112 | T175 K176 W177 K182 K183 | T175-K179 WeakPolarHBondContact O-CB 3.4Å; T175-K179 VanDerWaalsContact O-CG 3.32Å; T175-K179 WeakPolarHBondContact O-CG 3.34Å; T175-K179 PolarHBondContact O-N 2.82Å; K176-K179 WeakPolarHBondContact O-CB 3.38Å; K176-K179 PolarHBondContact O-N 3.34Å; K176-K179 VanDerWaalsContact O-N 3.13Å; W177-K179 PolarHBondContact O-N 3.37Å; K179-K182 PolarHBondContact O-N 2.97Å; K179-K183 VanDerWaalsContact O-CB 3.3Å; K179-K183 WeakPolarHBondContact O-CB 3.34Å; K179-K183 PolarHBondContact O-N 3.38Å |
| 180 | I | 70.7 | Confident | 66.3 | Low | 90 Ų | 90 | 122.9 Ų | 122.9 | 46% | 0.462 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.5 | -46.1 | 175.4 | -66 | 162.6 | 0 | 0 | 0 | 109.9 | K176 W177 K183 K184 | K176-I180 WeakPolarHBondContact O-CG1 3.4Å; K176-I180 PolarHBondContact O-N 3.31Å; W177-I180 HydrophobicContact CE3-CD1 4.03Å; W177-I180 HydrophobicContact CZ3-CD1 4.27Å; W177-I180 PolarHBondContact O-N 2.97Å; I180-K183 WeakPolarHBondContact O-CB 3.25Å; I180-K183 PolarHBondContact O-N 3.43Å; I180-K184 WeakPolarHBondContact O-CB 3.23Å; I180-K184 PolarHBondContact O-N 2.9Å |
| 181 | A | 66.4 | Low | 64.2 | Low | 57 Ų | 57 | 123.1 Ų | 123.1 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.5 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W177 K183 K184 E185 | W177-A181 WeakPolarHBondContact O-CB 3.47Å; W177-A181 PolarHBondContact O-N 3.18Å; A181-K183 VanDerWaalsContact C-N 3.3Å; A181-K183 PolarHBondContact O-N 3.34Å; A181-K184 CarbonylContact O-C 3.49Å; A181-K184 WeakPolarHBondContact O-CA 3.31Å; A181-K184 WeakPolarHBondContact O-CB 3.42Å; A181-K184 PolarHBondContact O-N 2.81Å; A181-K184 VanDerWaalsContact O-N 3.12Å; A181-E185 PolarHBondContact O-N 3.4Å |
| 182 | K | 62 | Low | 62.4 | Low | 138 Ų | 138 | 118.6 Ų | 118.6 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.9 | -32.8 | 175.8 | -127.8 | 177.9 | -176.4 | 179.7 | 0 | 112.6 | K178 K179 K184 K186 | K178-K182 WeakPolarHBondContact O-CB 3.43Å; K178-K182 PolarHBondContact O-N 3.24Å; K179-K182 PolarHBondContact O-N 2.97Å; K182-K184 VanDerWaalsContact C-N 3.34Å; K182-K186 PolarHBondContact O-N 2.98Å; K182-K186 VanDerWaalsContact O-N 3.07Å |
| 183 | K | 55.4 | Low | 60.6 | Low | 165 Ų | 165 | 120 Ų | 120 | 72% | 0.717 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.3 | -36.9 | 173 | -170.2 | 176 | 177.8 | -177.7 | 0 | 110.8 | K179 I180 A181 S187 | K179-K183 VanDerWaalsContact O-CB 3.3Å; K179-K183 WeakPolarHBondContact O-CB 3.34Å; K179-K183 PolarHBondContact O-N 3.38Å; I180-K183 WeakPolarHBondContact O-CB 3.25Å; I180-K183 PolarHBondContact O-N 3.43Å; A181-K183 VanDerWaalsContact C-N 3.3Å; A181-K183 PolarHBondContact O-N 3.34Å; K183-S187 WeakPolarHBondContact O-CB 3.39Å; K183-S187 PolarHBondContact O-N 2.88Å; K183-S187 PolarHBondContact O-OG 3.13Å |
| 184 | K | 51.4 | Low | 59.1 | Low | 167 Ų | 167 | 123.1 Ų | 123.1 | 73% | 0.726 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69 | -37.2 | 174.8 | -165.3 | 173.8 | 179.5 | 176 | 0 | 112.3 | I180 A181 K182 S187 | I180-K184 WeakPolarHBondContact O-CB 3.23Å; I180-K184 PolarHBondContact O-N 2.9Å; A181-K184 CarbonylContact O-C 3.49Å; A181-K184 WeakPolarHBondContact O-CA 3.31Å; A181-K184 WeakPolarHBondContact O-CB 3.42Å; A181-K184 PolarHBondContact O-N 2.81Å; A181-K184 VanDerWaalsContact O-N 3.12Å; K182-K184 VanDerWaalsContact C-N 3.34Å; K184-S187 PolarHBondContact O-OG 3.39Å |
| 185 | E | 47.2 | Very low | 58.2 | Low | 157 Ų | 157 | 123.3 Ų | 123.3 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73 | -32.3 | 177.1 | -162.9 | 178.4 | -161.9 | 0 | 0 | 112.3 | A181 | A181-E185 PolarHBondContact O-N 3.4Å |
| 186 | K | 45.8 | Very low | 57.6 | Low | 197 Ų | 197 | 125.4 Ų | 125.4 | 86% | 0.857 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -0.6 | 176.1 | -105.2 | 176 | 177.6 | -179.2 | 0 | 115.5 | K182 | K182-K186 PolarHBondContact O-N 2.98Å; K182-K186 VanDerWaalsContact O-N 3.07Å |
| 187 | S | 37 | Very low | 57.1 | Low | 65 Ų | 65 | 124.8 Ų | 124.8 | 46% | 0.455 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.7 | 18.1 | 177.3 | 76.3 | 0 | 0 | 0 | 0 | 113.9 | K183 K184 D189 N190 | K183-S187 WeakPolarHBondContact O-CB 3.39Å; K183-S187 PolarHBondContact O-N 2.88Å; K183-S187 PolarHBondContact O-OG 3.13Å; K184-S187 PolarHBondContact O-OG 3.39Å; S187-D189 PolarHBondContact O-N 3.25Å; S187-N190 PolarHBondContact O-N 3.35Å |
| 188 | S | 41.5 | Very low | 56.6 | Low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -9.2 | 178.8 | -171.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 189 | D | 39.9 | Very low | 56.3 | Low | 142 Ų | 142 | 120 Ų | 120 | 76% | 0.759 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 6.5 | -173.2 | -73 | -15.1 | 0 | 0 | 0 | 116.2 | S187 | S187-D189 PolarHBondContact O-N 3.25Š|
| 190 | N | 39.4 | Very low | 56.6 | Low | 112 Ų | 112 | 116.5 Ų | 116.5 | 60% | 0.599 | 61% | 0.609 | S | S | * | * | trans | -116.8 | 72.8 | -174.5 | -61.4 | -5.7 | 0 | 0 | 0 | 113.3 | S187 S192 S193 | S187-N190 PolarHBondContact O-N 3.35Å; N190-S192 PolarHBondContact O-N 3.49Å; N190-S193 PolarHBondContact O-N 3.02Å | ||
| 191 | T | 44.5 | Very low | 56.9 | Low | 106 Ų | 106 | 116.7 Ų | 116.7 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49 | -17.1 | 172.4 | -56.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 192 | S | 52.2 | Low | 57.9 | Low | 78 Ų | 78 | 119.8 Ų | 119.8 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.1 | -26.6 | -179.2 | 68.2 | 0 | 0 | 0 | 0 | 114.9 | N190 Q195 L196 | N190-S192 PolarHBondContact O-N 3.49Å; S192-Q195 PolarHBondContact O-N 2.85Å; S192-L196 PolarHBondContact O-N 3.41Å |
| 193 | S | 47 | Very low | 59.2 | Low | 81 Ų | 81 | 119 Ų | 119 | 57% | 0.566 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.6 | -33.6 | -175.2 | -168.2 | 0 | 0 | 0 | 0 | 112.9 | N190 L196 L197 | N190-S193 PolarHBondContact O-N 3.02Å; S193-L196 PolarHBondContact O-N 3.34Å; S193-L197 PolarHBondContact O-N 3.31Å; S193-L197 VanDerWaalsContact O-N 3.17Å |
| 194 | H | 51.1 | Low | 60.9 | Low | 148 Ų | 148 | 115.8 Ų | 115.8 | 69% | 0.685 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.2 | -34.2 | 176.9 | -83 | -75.2 | 0 | 0 | 0 | 111.7 | L197 N198 | H194-L197 PolarHBondContact O-N 2.96Å; H194-N198 PolarHBondContact O-N 2.7Å; H194-N198 VanDerWaalsContact O-N 3.08Å |
| 195 | Q | 66.2 | Low | 62.6 | Low | 123 Ų | 123 | 111.7 Ų | 111.7 | 58% | 0.575 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.2 | -41.1 | 173.9 | -68.5 | -176.6 | -6.6 | 0 | 0 | 111.5 | S192 L197 N198 I199 | S192-Q195 PolarHBondContact O-N 2.85Å; Q195-L197 PolarHBondContact O-N 3.05Å; Q195-N198 PolarHBondContact O-N 3.3Å; Q195-I199 WeakPolarHBondContact O-CB 3.45Å; Q195-I199 WeakPolarHBondContact O-CD1 3.41Å; Q195-I199 WeakPolarHBondContact O-CG1 3.46Å; Q195-I199 PolarHBondContact O-N 3.42Å |
| 196 | L | 70.4 | Confident | 64.7 | Low | 120 Ų | 120 | 109 Ų | 109 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.6 | -40.1 | 176.1 | -82.5 | 167.6 | 0 | 0 | 0 | 113.1 | S192 S193 I199 E200 | S192-L196 PolarHBondContact O-N 3.41Å; S193-L196 PolarHBondContact O-N 3.34Å; L196-I199 PolarHBondContact O-N 3.16Å; L196-E200 PolarHBondContact O-N 3.18Å |
| 197 | L | 73.2 | Confident | 66.9 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 60% | 0.602 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.2 | -39.4 | 178.7 | -170 | 71.3 | 0 | 0 | 0 | 111.9 | S193 H194 Q195 E200 L201 | S193-L197 PolarHBondContact O-N 3.31Å; S193-L197 VanDerWaalsContact O-N 3.17Å; H194-L197 PolarHBondContact O-N 2.96Å; Q195-L197 PolarHBondContact O-N 3.05Å; L197-E200 PolarHBondContact O-N 3.29Å; L197-L201 WeakPolarHBondContact O-CB 3.44Å; L197-L201 PolarHBondContact O-N 2.89Å |
| 198 | N | 68.4 | Low | 69.5 | Low | 97 Ų | 97 | 106.6 Ų | 106.6 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.5 | -41.3 | 174.7 | -94.4 | 4.5 | 0 | 0 | 0 | 112 | H194 Q195 E200 L201 E202 | H194-N198 PolarHBondContact O-N 2.7Å; H194-N198 VanDerWaalsContact O-N 3.08Å; Q195-N198 PolarHBondContact O-N 3.3Å; N198-E200 VanDerWaalsContact C-N 3.29Å; N198-E200 PolarHBondContact O-N 3.29Å; N198-L201 PolarHBondContact O-N 3.36Å; N198-E202 WeakPolarHBondContact O-CB 3.38Å; N198-E202 WeakPolarHBondContact O-CG 3.42Å; N198-E202 PolarHBondContact O-N 3.31Å |
| 199 | I | 76.8 | Confident | 72 | Confident | 102 Ų | 102 | 107 Ų | 107 | 52% | 0.523 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 175.1 | -68.9 | 162.2 | 0 | 0 | 0 | 110.8 | Q195 L196 K203 | Q195-I199 WeakPolarHBondContact O-CB 3.45Å; Q195-I199 WeakPolarHBondContact O-CD1 3.41Å; Q195-I199 WeakPolarHBondContact O-CG1 3.46Å; Q195-I199 PolarHBondContact O-N 3.42Å; L196-I199 PolarHBondContact O-N 3.16Å; I199-K203 VanDerWaalsContact O-CB 3.26Å; I199-K203 WeakPolarHBondContact O-CB 3.45Å; I199-K203 PolarHBondContact O-N 3.19Å |
| 200 | E | 82.3 | Confident | 74.5 | Confident | 83 Ų | 83 | 108.8 Ų | 108.8 | 39% | 0.388 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 176.4 | -176.6 | 57.9 | -150 | 0 | 0 | 112 | L196 L197 N198 K203 Q204 | L196-E200 PolarHBondContact O-N 3.18Å; L197-E200 PolarHBondContact O-N 3.29Å; N198-E200 VanDerWaalsContact C-N 3.29Å; N198-E200 PolarHBondContact O-N 3.29Å; E200-K203 PolarHBondContact O-N 3.04Å; E200-Q204 WeakPolarHBondContact O-CG 3.39Å; E200-Q204 PolarHBondContact O-N 3.16Å; E200-Q204 PolarHBondContact OE1-NE2 3.07Å |
| 201 | L | 77.2 | Confident | 77.2 | Confident | 94 Ų | 94 | 108.1 Ų | 108.1 | 49% | 0.492 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 177.9 | -165.8 | 71.7 | 0 | 0 | 0 | 111.7 | L197 N198 K203 Q204 I205 | L197-L201 WeakPolarHBondContact O-CB 3.44Å; L197-L201 PolarHBondContact O-N 2.89Å; N198-L201 PolarHBondContact O-N 3.36Å; L201-K203 VanDerWaalsContact C-N 3.29Å; L201-K203 PolarHBondContact O-N 3.32Å; L201-Q204 PolarHBondContact O-N 3.13Å; L201-I205 HydrophobicContact CG-CD1 4.41Å; L201-I205 WeakPolarHBondContact O-CG1 3.34Å; L201-I205 PolarHBondContact O-N 3.22Å |
| 202 | E | 87 | Confident | 79.4 | Confident | 123 Ų | 123 | 107 Ų | 107 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.9 | -40.8 | 173.8 | -76.6 | 177.3 | -179 | 0 | 0 | 111.1 | N198 Q204 I205 E206 | N198-E202 WeakPolarHBondContact O-CB 3.38Å; N198-E202 WeakPolarHBondContact O-CG 3.42Å; N198-E202 PolarHBondContact O-N 3.31Å; E202-Q204 PolarHBondContact O-N 3.13Å; E202-I205 PolarHBondContact O-N 2.98Å; E202-E206 WeakPolarHBondContact O-CG 3.46Å; E202-E206 PolarHBondContact O-N 3.49Å |
| 203 | K | 89.9 | Confident | 81.3 | Confident | 122 Ų | 122 | 106.5 Ų | 106.5 | 53% | 0.53 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 175.6 | -176.2 | -172.7 | 169.4 | -162.6 | 0 | 112.4 | I199 E200 L201 E206 Q207 | I199-K203 VanDerWaalsContact O-CB 3.26Å; I199-K203 WeakPolarHBondContact O-CB 3.45Å; I199-K203 PolarHBondContact O-N 3.19Å; E200-K203 PolarHBondContact O-N 3.04Å; L201-K203 VanDerWaalsContact C-N 3.29Å; L201-K203 PolarHBondContact O-N 3.32Å; K203-E206 PolarHBondContact O-N 3.1Å; K203-Q207 WeakPolarHBondContact O-CB 3.41Å; K203-Q207 PolarHBondContact O-N 3.45Å |
| 204 | Q | 91.5 | Very high | 83.5 | Confident | 96 Ų | 96 | 108.7 Ų | 108.7 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 175.7 | -75.4 | -175.2 | 12.9 | 0 | 0 | 112.1 | E200 L201 E202 Q207 L208 | E200-Q204 WeakPolarHBondContact O-CG 3.39Å; E200-Q204 PolarHBondContact O-N 3.16Å; E200-Q204 PolarHBondContact OE1-NE2 3.07Å; L201-Q204 PolarHBondContact O-N 3.13Å; E202-Q204 PolarHBondContact O-N 3.13Å; Q204-Q207 PolarHBondContact O-N 2.96Å; Q204-L208 WeakPolarHBondContact O-CB 3.49Å; Q204-L208 WeakPolarHBondContact O-CG 3.39Å; Q204-L208 PolarHBondContact O-N 2.92Å |
| 205 | I | 86.8 | Confident | 85.5 | Confident | 81 Ų | 81 | 107.3 Ų | 107.3 | 42% | 0.415 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.4 | -68.9 | 167.1 | 0 | 0 | 0 | 110.4 | L201 E202 L208 K209 | L201-I205 HydrophobicContact CG-CD1 4.41Å; L201-I205 WeakPolarHBondContact O-CG1 3.34Å; L201-I205 PolarHBondContact O-N 3.22Å; E202-I205 PolarHBondContact O-N 2.98Å; I205-L208 PolarHBondContact O-N 2.96Å; I205-K209 HydrophobicContact CG2-CD 4.33Å; I205-K209 WeakPolarHBondContact O-CB 3.42Å; I205-K209 WeakPolarHBondContact O-CG 3.34Å; I205-K209 PolarHBondContact O-N 3.23Å |
| 206 | E | 90.4 | Very high | 86.8 | Confident | 102 Ų | 102 | 107.8 Ų | 107.8 | 48% | 0.477 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.3 | -34.6 | 176.9 | -73.1 | -56 | 134.4 | 0 | 0 | 112.7 | E202 K203 K209 R210 | E202-E206 WeakPolarHBondContact O-CG 3.46Å; E202-E206 PolarHBondContact O-N 3.49Å; K203-E206 PolarHBondContact O-N 3.1Å; E206-K209 IonicContact OE1-NZ 2.71Å; E206-K209 PolarHBondContact OE1-NZ 3.27Å; E206-R210 WeakPolarHBondContact O-CB 3.44Å; E206-R210 PolarHBondContact O-N 3.39Å |
| 207 | Q | 92.9 | Very high | 87.9 | Confident | 107 Ų | 107 | 106.8 Ų | 106.8 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 172.3 | -179.5 | 173.5 | -25.6 | 0 | 0 | 111.7 | K203 Q204 R210 Q211 | K203-Q207 WeakPolarHBondContact O-CB 3.41Å; K203-Q207 PolarHBondContact O-N 3.45Å; Q204-Q207 PolarHBondContact O-N 2.96Å; Q207-R210 PolarHBondContact O-N 3.12Å; Q207-Q211 PolarHBondContact O-N 2.89Å |
| 208 | L | 91.5 | Very high | 88.8 | Confident | 104 Ų | 104 | 105.1 Ų | 105.1 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 177 | -76.1 | 170.2 | 0 | 0 | 0 | 111.6 | Q204 I205 R210 Q211 V212 | Q204-L208 WeakPolarHBondContact O-CB 3.49Å; Q204-L208 WeakPolarHBondContact O-CG 3.39Å; Q204-L208 PolarHBondContact O-N 2.92Å; I205-L208 PolarHBondContact O-N 2.96Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 2.59Å; L208-Q211 PolarHBondContact O-N 3.34Å; L208-V212 WeakPolarHBondContact O-CG2 3.2Å; L208-V212 PolarHBondContact O-N 3.08Å |
| 209 | K | 93.2 | Very high | 90 | Very high | 111 Ų | 111 | 105.9 Ų | 105.9 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 173.3 | -76.1 | 177.1 | -174.9 | 171.3 | 0 | 111.6 | I205 E206 Q211 V212 S213 | I205-K209 HydrophobicContact CG2-CD 4.33Å; I205-K209 WeakPolarHBondContact O-CB 3.42Å; I205-K209 WeakPolarHBondContact O-CG 3.34Å; I205-K209 PolarHBondContact O-N 3.23Å; E206-K209 IonicContact OE1-NZ 2.71Å; E206-K209 PolarHBondContact OE1-NZ 3.27Å; K209-Q211 VanDerWaalsContact C-N 3.35Å; K209-Q211 PolarHBondContact O-N 2.94Å; K209-V212 PolarHBondContact O-N 3.24Å; K209-S213 PolarHBondContact O-N 3.45Å; K209-S213 PolarHBondContact O-OG 3.17Å |
| 210 | R | 93.5 | Very high | 90.7 | Very high | 179 Ų | 179 | 109.6 Ų | 109.6 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62 | -41.5 | 176.9 | -170.5 | -179.7 | -84.8 | 132.5 | -5.3 | 111.7 | E206 Q207 L208 S213 E214 | E206-R210 WeakPolarHBondContact O-CB 3.44Å; E206-R210 PolarHBondContact O-N 3.39Å; Q207-R210 PolarHBondContact O-N 3.12Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 2.59Å; R210-S213 PolarHBondContact O-N 2.93Å; R210-E214 PolarHBondContact O-N 3Å |
| 211 | Q | 94.8 | Very high | 91.2 | Very high | 98 Ų | 98 | 109.8 Ų | 109.8 | 46% | 0.458 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 175.3 | -74.8 | -172.5 | -70.9 | 0 | 0 | 112.7 | Q207 L208 K209 S213 E214 L215 | Q207-Q211 PolarHBondContact O-N 2.89Å; L208-Q211 PolarHBondContact O-N 3.34Å; K209-Q211 VanDerWaalsContact C-N 3.35Å; K209-Q211 PolarHBondContact O-N 2.94Å; Q211-S213 VanDerWaalsContact C-N 3.34Å; Q211-E214 PolarHBondContact O-N 3.21Å; Q211-L215 WeakPolarHBondContact O-CB 3.43Å; Q211-L215 PolarHBondContact O-N 3.06Å |
| 212 | V | 90.2 | Very high | 91.8 | Very high | 82 Ų | 82 | 111.2 Ų | 111.2 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 176.1 | 172 | 0 | 0 | 0 | 0 | 110.9 | L208 K209 L215 Q216 | L208-V212 WeakPolarHBondContact O-CG2 3.2Å; L208-V212 PolarHBondContact O-N 3.08Å; K209-V212 PolarHBondContact O-N 3.24Å; V212-L215 PolarHBondContact O-N 3.02Å; V212-Q216 WeakPolarHBondContact O-CG 3.38Å; V212-Q216 PolarHBondContact O-N 3.48Å |
| 213 | S | 92.3 | Very high | 91.9 | Very high | 69 Ų | 69 | 109 Ų | 109 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.7 | -62 | 0 | 0 | 0 | 0 | 113 | K209 R210 Q211 Q216 E217 | K209-S213 PolarHBondContact O-N 3.45Å; K209-S213 PolarHBondContact O-OG 3.17Å; R210-S213 PolarHBondContact O-N 2.93Å; Q211-S213 VanDerWaalsContact C-N 3.34Å; S213-Q216 PolarHBondContact O-N 3.22Å; S213-E217 PolarHBondContact O-N 3.45Å |
| 214 | E | 94.4 | Very high | 92.1 | Very high | 127 Ų | 127 | 105.5 Ų | 105.5 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 172.9 | -96 | 176.6 | 170.2 | 0 | 0 | 111.7 | R210 Q211 Q216 E217 T218 | R210-E214 PolarHBondContact O-N 3Å; Q211-E214 PolarHBondContact O-N 3.21Å; E214-Q216 PolarHBondContact O-N 3.26Å; E214-E217 PolarHBondContact O-N 3.3Å; E214-T218 WeakPolarHBondContact O-CG2 3.47Å; E214-T218 PolarHBondContact O-N 3.03Å; E214-T218 PolarHBondContact O-OG1 3.36Å |
| 215 | L | 93.5 | Very high | 92.1 | Very high | 119 Ų | 119 | 103.5 Ų | 103.5 | 62% | 0.623 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 176 | -91.4 | 160.5 | 0 | 0 | 0 | 112 | Q211 V212 E217 T218 H219 | Q211-L215 WeakPolarHBondContact O-CB 3.43Å; Q211-L215 PolarHBondContact O-N 3.06Å; V212-L215 PolarHBondContact O-N 3.02Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.34Å; L215-T218 WeakPolarHBondContact CA-OG1 3.45Å; L215-T218 PolarHBondContact O-N 3.46Å; L215-T218 PolarHBondContact O-OG1 3.38Å; L215-H219 WeakPolarHBondContact O-CB 3.38Å; L215-H219 PolarHBondContact O-N 3.1Å |
| 216 | Q | 92.5 | Very high | 92.3 | Very high | 132 Ų | 132 | 103.8 Ų | 103.8 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 175.6 | -77.3 | 179.9 | -45.9 | 0 | 0 | 112.4 | V212 S213 E214 R220 | V212-Q216 WeakPolarHBondContact O-CG 3.38Å; V212-Q216 PolarHBondContact O-N 3.48Å; S213-Q216 PolarHBondContact O-N 3.22Å; E214-Q216 PolarHBondContact O-N 3.26Å; Q216-R220 WeakPolarHBondContact O-CB 3.19Å; Q216-R220 PolarHBondContact O-N 3.31Å |
| 217 | E | 93.2 | Very high | 92.4 | Very high | 100 Ų | 100 | 105.2 Ų | 105.2 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | 177.1 | -176 | 58.6 | -154.7 | 0 | 0 | 112.1 | S213 E214 L215 R220 N221 | S213-E217 PolarHBondContact O-N 3.45Å; E214-E217 PolarHBondContact O-N 3.3Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.34Å; E217-R220 PolarHBondContact O-N 3.44Å; E217-N221 WeakPolarHBondContact O-CB 3.33Å; E217-N221 VanDerWaalsContact O-CG 3.31Å; E217-N221 PolarHBondContact O-N 3.5Å; E217-N221 PolarHBondContact O-ND2 2.98Å; E217-N221 VanDerWaalsContact O-ND2 3.15Å; E217-N221 PolarHBondContact OE1-ND2 2.87Å; E217-N221 VanDerWaalsContact OE1-ND2 3.14Å |
| 218 | T | 92.7 | Very high | 92.5 | Very high | 80 Ų | 80 | 106.5 Ų | 106.5 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.4 | 56.1 | 0 | 0 | 0 | 0 | 112 | E214 L215 R220 N221 E222 | E214-T218 WeakPolarHBondContact O-CG2 3.47Å; E214-T218 PolarHBondContact O-N 3.03Å; E214-T218 PolarHBondContact O-OG1 3.36Å; L215-T218 WeakPolarHBondContact CA-OG1 3.45Å; L215-T218 PolarHBondContact O-N 3.46Å; L215-T218 PolarHBondContact O-OG1 3.38Å; T218-R220 VanDerWaalsContact C-N 3.33Å; T218-R220 PolarHBondContact O-N 2.97Å; T218-N221 PolarHBondContact O-N 3.36Å; T218-E222 WeakPolarHBondContact O-CB 3.33Å; T218-E222 PolarHBondContact O-N 3.49Å |
| 219 | H | 92.6 | Very high | 92.6 | Very high | 113 Ų | 113 | 105.3 Ų | 105.3 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 177.4 | -171.9 | -153.2 | 0 | 0 | 0 | 111.6 | L215 E222 I223 | L215-H219 WeakPolarHBondContact O-CB 3.38Å; L215-H219 PolarHBondContact O-N 3.1Å; H219-E222 PolarHBondContact O-N 3.26Å; H219-I223 VanDerWaalsContact O-CG1 3.3Å; H219-I223 WeakPolarHBondContact O-CG1 3.41Å; H219-I223 PolarHBondContact O-N 3.01Å |
| 220 | R | 92.8 | Very high | 92.5 | Very high | 179 Ų | 179 | 105.2 Ų | 105.2 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 172.8 | -177.3 | 179.1 | 174.5 | 84.6 | 3.1 | 111.9 | Q216 E217 T218 A224 | Q216-R220 WeakPolarHBondContact O-CB 3.19Å; Q216-R220 PolarHBondContact O-N 3.31Å; E217-R220 PolarHBondContact O-N 3.44Å; T218-R220 VanDerWaalsContact C-N 3.33Å; T218-R220 PolarHBondContact O-N 2.97Å; R220-A224 PolarHBondContact O-N 3.28Å |
| 221 | N | 92 | Very high | 92.5 | Very high | 87 Ų | 87 | 100.2 Ų | 100.2 | 47% | 0.465 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69 | -36.3 | 178 | -71.4 | -31.8 | 0 | 0 | 0 | 112.4 | E217 T218 A224 A225 | E217-N221 WeakPolarHBondContact O-CB 3.33Å; E217-N221 VanDerWaalsContact O-CG 3.31Å; E217-N221 PolarHBondContact O-N 3.5Å; E217-N221 PolarHBondContact O-ND2 2.98Å; E217-N221 VanDerWaalsContact O-ND2 3.15Å; E217-N221 PolarHBondContact OE1-ND2 2.87Å; E217-N221 VanDerWaalsContact OE1-ND2 3.14Å; T218-N221 PolarHBondContact O-N 3.36Å; N221-A224 PolarHBondContact O-N 3Å; N221-A225 WeakPolarHBondContact O-CB 3.3Å; N221-A225 PolarHBondContact O-N 3.04Å |
| 222 | E | 90.8 | Very high | 92.5 | Very high | 124 Ų | 124 | 100.4 Ų | 100.4 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.1 | -46.7 | 174 | -174.6 | 177.2 | -171 | 0 | 0 | 111.4 | T218 H219 A224 A225 V226 | T218-E222 WeakPolarHBondContact O-CB 3.33Å; T218-E222 PolarHBondContact O-N 3.49Å; H219-E222 PolarHBondContact O-N 3.26Å; E222-A224 VanDerWaalsContact C-N 3.28Å; E222-A224 PolarHBondContact O-N 3.44Å; E222-A225 PolarHBondContact O-N 3.22Å; E222-V226 WeakPolarHBondContact O-CB 3.42Å; E222-V226 VanDerWaalsContact O-CG2 3.27Å; E222-V226 WeakPolarHBondContact O-CG2 3.41Å; E222-V226 PolarHBondContact O-N 3.29Å |
| 223 | I | 89.2 | Confident | 92.7 | Very high | 78 Ų | 78 | 102 Ų | 102 | 40% | 0.4 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 175.4 | -67.6 | 166.4 | 0 | 0 | 0 | 110.7 | H219 V226 Q227 | H219-I223 VanDerWaalsContact O-CG1 3.3Å; H219-I223 WeakPolarHBondContact O-CG1 3.41Å; H219-I223 PolarHBondContact O-N 3.01Å; I223-V226 PolarHBondContact O-N 2.98Å; I223-Q227 HydrophobicContact CG2-CG 4.42Å; I223-Q227 WeakPolarHBondContact O-CB 3.45Å; I223-Q227 VanDerWaalsContact O-CG 3.24Å; I223-Q227 WeakPolarHBondContact O-CG 3.41Å; I223-Q227 PolarHBondContact O-N 2.96Å |
| 224 | A | 92.5 | Very high | 92.7 | Very high | 47 Ų | 47 | 103.1 Ų | 103.1 | 39% | 0.388 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R220 N221 E222 Q227 E228 | R220-A224 PolarHBondContact O-N 3.28Å; N221-A224 PolarHBondContact O-N 3Å; E222-A224 VanDerWaalsContact C-N 3.28Å; E222-A224 PolarHBondContact O-N 3.44Å; A224-Q227 PolarHBondContact O-N 3.15Å; A224-E228 PolarHBondContact O-N 3.11Å |
| 225 | A | 92.8 | Very high | 92.5 | Very high | 54 Ų | 54 | 100.6 Ų | 100.6 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N221 E222 E228 S229 | N221-A225 WeakPolarHBondContact O-CB 3.3Å; N221-A225 PolarHBondContact O-N 3.04Å; E222-A225 PolarHBondContact O-N 3.22Å; A225-E228 PolarHBondContact O-N 2.99Å; A225-S229 WeakPolarHBondContact O-CB 3.42Å; A225-S229 PolarHBondContact O-N 3.23Å |
| 226 | V | 89.8 | Confident | 92.4 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 174.6 | 172 | 0 | 0 | 0 | 0 | 110.7 | E222 I223 H230 | E222-V226 WeakPolarHBondContact O-CB 3.42Å; E222-V226 VanDerWaalsContact O-CG2 3.27Å; E222-V226 WeakPolarHBondContact O-CG2 3.41Å; E222-V226 PolarHBondContact O-N 3.29Å; I223-V226 PolarHBondContact O-N 2.98Å; V226-H230 WeakPolarHBondContact O-CB 3.47Å; V226-H230 PolarHBondContact O-N 2.91Å |
| 227 | Q | 93 | Very high | 92.3 | Very high | 131 Ų | 131 | 96.5 Ų | 96.5 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -41.7 | 176.5 | -75.8 | 175.9 | -20.8 | 0 | 0 | 112.5 | I223 A224 H230 S231 | I223-Q227 HydrophobicContact CG2-CG 4.42Å; I223-Q227 WeakPolarHBondContact O-CB 3.45Å; I223-Q227 VanDerWaalsContact O-CG 3.24Å; I223-Q227 WeakPolarHBondContact O-CG 3.41Å; I223-Q227 PolarHBondContact O-N 2.96Å; A224-Q227 PolarHBondContact O-N 3.15Å; Q227-H230 PolarHBondContact O-N 2.9Å; Q227-S231 WeakPolarHBondContact O-CB 3.48Å; Q227-S231 PolarHBondContact O-N 3.42Å |
| 228 | E | 94.8 | Very high | 92.3 | Very high | 135 Ų | 135 | 95.8 Ų | 95.8 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -49.2 | 175.5 | -173.9 | 170.9 | -161.9 | 0 | 0 | 111.2 | A224 A225 H230 S231 D232 | A224-E228 PolarHBondContact O-N 3.11Å; A225-E228 PolarHBondContact O-N 2.99Å; E228-H230 VanDerWaalsContact C-N 3.31Å; E228-H230 PolarHBondContact O-N 3.32Å; E228-S231 WeakPolarHBondContact O-CB 3.39Å; E228-S231 PolarHBondContact O-N 3.32Å; E228-S231 VanDerWaalsContact O-N 3.14Å; E228-D232 PolarHBondContact O-N 2.88Å |
| 229 | S | 93.2 | Very high | 92.3 | Very high | 78 Ų | 78 | 98.4 Ų | 98.4 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | A225 D232 H233 | A225-S229 WeakPolarHBondContact O-CB 3.42Å; A225-S229 PolarHBondContact O-N 3.23Å; S229-D232 PolarHBondContact O-N 3.48Å; S229-H233 PolarHBondContact O-N 3.38Å |
| 230 | H | 92 | Very high | 92.3 | Very high | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.4 | -36.4 | 177.5 | -167.6 | -94.8 | 0 | 0 | 0 | 111.9 | V226 Q227 E228 H233 L234 | V226-H230 WeakPolarHBondContact O-CB 3.47Å; V226-H230 PolarHBondContact O-N 2.91Å; Q227-H230 PolarHBondContact O-N 2.9Å; E228-H230 VanDerWaalsContact C-N 3.31Å; E228-H230 PolarHBondContact O-N 3.32Å; H230-H233 PolarHBondContact O-N 3.2Å; H230-L234 WeakPolarHBondContact O-CG 3.47Å; H230-L234 PolarHBondContact O-N 2.93Å |
| 231 | S | 94.2 | Very high | 92.2 | Very high | 73 Ų | 73 | 94.5 Ų | 94.5 | 51% | 0.51 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | Q227 E228 L234 S235 | Q227-S231 WeakPolarHBondContact O-CB 3.48Å; Q227-S231 PolarHBondContact O-N 3.42Å; E228-S231 WeakPolarHBondContact O-CB 3.39Å; E228-S231 PolarHBondContact O-N 3.32Å; E228-S231 VanDerWaalsContact O-N 3.14Å; S231-L234 PolarHBondContact O-N 3.18Å; S231-S235 WeakPolarHBondContact O-CB 3.48Å; S231-S235 PolarHBondContact O-N 3.17Å |
| 232 | D | 94.6 | Very high | 92.3 | Very high | 102 Ų | 102 | 97.3 Ų | 97.3 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.8 | -73.5 | -14.8 | 0 | 0 | 0 | 111.9 | E228 S229 S235 N236 | E228-D232 PolarHBondContact O-N 2.88Å; S229-D232 PolarHBondContact O-N 3.48Å; D232-S235 WeakPolarHBondContact O-CB 3.42Å; D232-S235 PolarHBondContact O-N 3.05Å; D232-N236 PolarHBondContact O-N 3.37Å |
| 233 | H | 93.3 | Very high | 92.4 | Very high | 116 Ų | 116 | 97.3 Ų | 97.3 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 176.6 | -174.4 | 59.7 | 0 | 0 | 0 | 111.9 | S229 H230 S235 N236 L237 | S229-H233 PolarHBondContact O-N 3.38Å; H230-H233 PolarHBondContact O-N 3.2Å; H233-S235 VanDerWaalsContact C-N 3.31Å; H233-S235 PolarHBondContact O-N 3.29Å; H233-N236 PolarHBondContact O-N 3.38Å; H233-L237 WeakPolarHBondContact O-CB 3.25Å; H233-L237 PolarHBondContact O-N 3.49Å |
| 234 | L | 92 | Very high | 92.1 | Very high | 92 Ų | 92 | 96.9 Ų | 96.9 | 48% | 0.482 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 174.6 | -73 | 171.4 | 0 | 0 | 0 | 111.8 | H230 S231 L237 V238 | H230-L234 WeakPolarHBondContact O-CG 3.47Å; H230-L234 PolarHBondContact O-N 2.93Å; S231-L234 PolarHBondContact O-N 3.18Å; L234-L237 PolarHBondContact O-N 2.84Å; L234-V238 VanDerWaalsContact O-CG2 3.26Å; L234-V238 WeakPolarHBondContact O-CG2 3.37Å; L234-V238 PolarHBondContact O-N 2.76Å |
| 235 | S | 91.9 | Very high | 92.1 | Very high | 75 Ų | 75 | 100.4 Ų | 100.4 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 177 | -162.7 | 0 | 0 | 0 | 0 | 112 | S231 D232 H233 L237 V238 E239 | S231-S235 WeakPolarHBondContact O-CB 3.48Å; S231-S235 PolarHBondContact O-N 3.17Å; D232-S235 WeakPolarHBondContact O-CB 3.42Å; D232-S235 PolarHBondContact O-N 3.05Å; H233-S235 VanDerWaalsContact C-N 3.31Å; H233-S235 PolarHBondContact O-N 3.29Å; S235-L237 PolarHBondContact O-N 3.24Å; S235-V238 PolarHBondContact O-N 3.19Å; S235-E239 PolarHBondContact O-N 3.42Å |
| 236 | N | 91.2 | Very high | 92 | Very high | 88 Ų | 88 | 101 Ų | 101 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 178.4 | -153.1 | -53.4 | 0 | 0 | 0 | 111.7 | D232 H233 V238 E239 Q240 | D232-N236 PolarHBondContact O-N 3.37Å; H233-N236 PolarHBondContact O-N 3.38Å; N236-V238 VanDerWaalsContact C-N 3.33Å; N236-V238 PolarHBondContact O-N 2.91Å; N236-E239 PolarHBondContact O-N 2.97Å; N236-Q240 WeakPolarHBondContact O-CG 3.42Å; N236-Q240 PolarHBondContact O-N 2.9Å; N236-Q240 PolarHBondContact OD1-NE2 3.29Å |
| 237 | L | 89.5 | Confident | 92.1 | Very high | 77 Ų | 77 | 102.1 Ų | 102.1 | 40% | 0.403 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.9 | -36.5 | 177.5 | -144.1 | 153.4 | 0 | 0 | 0 | 111.5 | H233 L234 S235 L241 | H233-L237 WeakPolarHBondContact O-CB 3.25Å; H233-L237 PolarHBondContact O-N 3.49Å; L234-L237 PolarHBondContact O-N 2.84Å; S235-L237 PolarHBondContact O-N 3.24Å; L237-L241 HydrophobicContact CD2-CD1 4.19Å; L237-L241 HydrophobicContact CD2-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CG 3.32Å; L237-L241 PolarHBondContact O-N 2.89Å |
| 238 | V | 93 | Very high | 91.8 | Very high | 84 Ų | 84 | 100.3 Ų | 100.3 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 173 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | L234 S235 N236 L241 K242 | L234-V238 VanDerWaalsContact O-CG2 3.26Å; L234-V238 WeakPolarHBondContact O-CG2 3.37Å; L234-V238 PolarHBondContact O-N 2.76Å; S235-V238 PolarHBondContact O-N 3.19Å; N236-V238 VanDerWaalsContact C-N 3.33Å; N236-V238 PolarHBondContact O-N 2.91Å; V238-L241 PolarHBondContact O-N 3.12Å; V238-K242 PolarHBondContact O-N 3.25Å |
| 239 | E | 93.5 | Very high | 91.5 | Very high | 135 Ų | 135 | 98.3 Ų | 98.3 | 63% | 0.631 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 176 | -169.5 | 167.1 | -161.9 | 0 | 0 | 111.6 | S235 N236 L241 K242 E243 | S235-E239 PolarHBondContact O-N 3.42Å; N236-E239 PolarHBondContact O-N 2.97Å; E239-L241 VanDerWaalsContact C-N 3.33Å; E239-L241 PolarHBondContact O-N 3.44Å; E239-K242 WeakPolarHBondContact O-CB 3.42Å; E239-K242 PolarHBondContact O-N 3.36Å; E239-K242 VanDerWaalsContact O-N 3.17Å; E239-E243 PolarHBondContact O-N 3.22Å |
| 240 | Q | 93.4 | Very high | 91.3 | Very high | 106 Ų | 106 | 101.6 Ų | 101.6 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 173.5 | -69.8 | 177.8 | 11.8 | 0 | 0 | 112.5 | N236 E243 T244 | N236-Q240 WeakPolarHBondContact O-CG 3.42Å; N236-Q240 PolarHBondContact O-N 2.9Å; N236-Q240 PolarHBondContact OD1-NE2 3.29Å; Q240-E243 PolarHBondContact O-N 3.13Å; Q240-T244 WeakPolarHBondContact O-CG2 3.47Å; Q240-T244 PolarHBondContact O-N 2.89Å; Q240-T244 PolarHBondContact O-OG1 3.42Å |
| 241 | L | 89.8 | Confident | 90.9 | Very high | 105 Ų | 105 | 101.1 Ų | 101.1 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 174 | -78.8 | 173.5 | 0 | 0 | 0 | 112.1 | L237 V238 E239 T244 E245 | L237-L241 HydrophobicContact CD2-CD1 4.19Å; L237-L241 HydrophobicContact CD2-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CG 3.32Å; L237-L241 PolarHBondContact O-N 2.89Å; V238-L241 PolarHBondContact O-N 3.12Å; E239-L241 VanDerWaalsContact C-N 3.33Å; E239-L241 PolarHBondContact O-N 3.44Å; L241-T244 WeakPolarHBondContact CA-OG1 3.41Å; L241-T244 PolarHBondContact O-OG1 3.05Å; L241-E245 VanDerWaalsContact O-CB 3.24Å; L241-E245 WeakPolarHBondContact O-CB 3.48Å; L241-E245 PolarHBondContact O-N 3.22Å |
| 242 | K | 93.5 | Very high | 90.4 | Very high | 145 Ų | 145 | 102.5 Ų | 102.5 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.2 | -39.4 | 174.3 | -84.8 | -168.4 | 173.7 | -176.8 | 0 | 112.9 | V238 E239 S246 | V238-K242 PolarHBondContact O-N 3.25Å; E239-K242 WeakPolarHBondContact O-CB 3.42Å; E239-K242 PolarHBondContact O-N 3.36Å; E239-K242 VanDerWaalsContact O-N 3.17Å; K242-S246 WeakPolarHBondContact O-CB 3.26Å; K242-S246 PolarHBondContact O-N 2.97Å |
| 243 | E | 94.1 | Very high | 89.9 | Confident | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -49.9 | 177.2 | -176.2 | 167.4 | -156.7 | 0 | 0 | 110.7 | E239 Q240 E245 S246 E247 | E239-E243 PolarHBondContact O-N 3.22Å; Q240-E243 PolarHBondContact O-N 3.13Å; E243-E245 VanDerWaalsContact C-N 3.35Å; E243-E245 PolarHBondContact O-N 3.28Å; E243-S246 WeakPolarHBondContact O-CB 3.36Å; E243-S246 PolarHBondContact O-N 3.44Å; E243-S246 VanDerWaalsContact O-N 3.09Å; E243-S246 PolarHBondContact O-OG 3.49Å; E243-E247 PolarHBondContact O-N 2.92Å |
| 244 | T | 83.2 | Confident | 89.5 | Confident | 69 Ų | 69 | 104.6 Ų | 104.6 | 42% | 0.423 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 177.2 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | Q240 L241 S246 E247 V248 | Q240-T244 WeakPolarHBondContact O-CG2 3.47Å; Q240-T244 PolarHBondContact O-N 2.89Å; Q240-T244 PolarHBondContact O-OG1 3.42Å; L241-T244 WeakPolarHBondContact CA-OG1 3.41Å; L241-T244 PolarHBondContact O-OG1 3.05Å; T244-S246 VanDerWaalsContact C-N 3.34Å; T244-S246 PolarHBondContact O-N 2.73Å; T244-E247 PolarHBondContact O-N 3.47Å; T244-V248 VanDerWaalsContact O-CG2 3.31Å; T244-V248 WeakPolarHBondContact O-CG2 3.29Å; T244-V248 PolarHBondContact O-N 2.75Å |
| 245 | E | 91.9 | Very high | 88.7 | Confident | 122 Ų | 122 | 104 Ų | 104 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 172.3 | -175.3 | 179.7 | -165 | 0 | 0 | 111.6 | L241 E243 E247 V248 I249 | L241-E245 VanDerWaalsContact O-CB 3.24Å; L241-E245 WeakPolarHBondContact O-CB 3.48Å; L241-E245 PolarHBondContact O-N 3.22Å; E243-E245 VanDerWaalsContact C-N 3.35Å; E243-E245 PolarHBondContact O-N 3.28Å; E245-E247 VanDerWaalsContact C-N 3.34Å; E245-E247 PolarHBondContact O-N 3.16Å; E245-V248 PolarHBondContact O-N 3.45Å; E245-I249 HydrophobicContact CG-CD1 4.2Å; E245-I249 WeakPolarHBondContact O-CG1 3.38Å; E245-I249 PolarHBondContact O-N 3.28Å |
| 246 | S | 89.7 | Confident | 87.9 | Confident | 67 Ų | 67 | 104 Ų | 104 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 177.4 | 81.5 | 0 | 0 | 0 | 0 | 112.8 | K242 E243 T244 K250 | K242-S246 WeakPolarHBondContact O-CB 3.26Å; K242-S246 PolarHBondContact O-N 2.97Å; E243-S246 WeakPolarHBondContact O-CB 3.36Å; E243-S246 PolarHBondContact O-N 3.44Å; E243-S246 VanDerWaalsContact O-N 3.09Å; E243-S246 PolarHBondContact O-OG 3.49Å; T244-S246 VanDerWaalsContact C-N 3.34Å; T244-S246 PolarHBondContact O-N 2.73Å; S246-K250 WeakPolarHBondContact O-CB 3.36Å; S246-K250 PolarHBondContact O-N 3.05Å |
| 247 | E | 92.5 | Very high | 87 | Confident | 111 Ų | 111 | 101.9 Ų | 101.9 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 173.4 | -72.2 | -161.5 | 141.4 | 0 | 0 | 112 | E243 T244 E245 I249 K250 L251 | E243-E247 PolarHBondContact O-N 2.92Å; T244-E247 PolarHBondContact O-N 3.47Å; E245-E247 VanDerWaalsContact C-N 3.34Å; E245-E247 PolarHBondContact O-N 3.16Å; E247-I249 VanDerWaalsContact C-N 3.35Å; E247-I249 PolarHBondContact O-N 2.98Å; E247-K250 WeakPolarHBondContact O-CB 3.46Å; E247-K250 PolarHBondContact O-N 3.34Å; E247-L251 WeakPolarHBondContact O-CG 3.45Å; E247-L251 PolarHBondContact O-N 2.84Å |
| 248 | V | 85.8 | Confident | 85.8 | Confident | 93 Ų | 93 | 104.8 Ų | 104.8 | 56% | 0.564 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 175.5 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | T244 E245 K250 L251 Q252 | T244-V248 VanDerWaalsContact O-CG2 3.31Å; T244-V248 WeakPolarHBondContact O-CG2 3.29Å; T244-V248 PolarHBondContact O-N 2.75Å; E245-V248 PolarHBondContact O-N 3.45Å; V248-K250 VanDerWaalsContact C-N 3.31Å; V248-K250 PolarHBondContact O-N 2.86Å; V248-L251 PolarHBondContact O-N 3.12Å; V248-Q252 WeakPolarHBondContact O-CB 3.36Å; V248-Q252 PolarHBondContact O-N 3.01Å |
| 249 | I | 89.2 | Confident | 84 | Confident | 92 Ų | 92 | 106.6 Ų | 106.6 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 175.9 | -67.7 | 166.4 | 0 | 0 | 0 | 111.4 | E245 E247 Q252 K253 | E245-I249 HydrophobicContact CG-CD1 4.2Å; E245-I249 WeakPolarHBondContact O-CG1 3.38Å; E245-I249 PolarHBondContact O-N 3.28Å; E247-I249 VanDerWaalsContact C-N 3.35Å; E247-I249 PolarHBondContact O-N 2.98Å; I249-Q252 PolarHBondContact O-N 3.34Å; I249-K253 PolarHBondContact O-N 2.8Å |
| 250 | K | 90.1 | Very high | 82.2 | Confident | 148 Ų | 148 | 106.1 Ų | 106.1 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.8 | -44.7 | 176.8 | -178 | -176.4 | 175.2 | -172.2 | 0 | 111.5 | S246 E247 V248 K253 Q254 | S246-K250 WeakPolarHBondContact O-CB 3.36Å; S246-K250 PolarHBondContact O-N 3.05Å; E247-K250 WeakPolarHBondContact O-CB 3.46Å; E247-K250 PolarHBondContact O-N 3.34Å; V248-K250 VanDerWaalsContact C-N 3.31Å; V248-K250 PolarHBondContact O-N 2.86Å; K250-K253 PolarHBondContact O-N 2.87Å; K250-Q254 PolarHBondContact O-N 3.35Å; K250-Q254 VanDerWaalsContact O-N 3.12Å |
| 251 | L | 82.4 | Confident | 80.2 | Confident | 100 Ų | 100 | 111.3 Ų | 111.3 | 52% | 0.524 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.6 | -41.5 | 175.6 | -70.5 | 174.4 | 0 | 0 | 0 | 111.2 | E247 V248 K253 Q254 V255 | E247-L251 WeakPolarHBondContact O-CG 3.45Å; E247-L251 PolarHBondContact O-N 2.84Å; V248-L251 PolarHBondContact O-N 3.12Å; L251-K253 PolarHBondContact O-N 3.16Å; L251-Q254 WeakPolarHBondContact O-CA 3.42Å; L251-Q254 WeakPolarHBondContact O-CB 3.39Å; L251-Q254 PolarHBondContact O-N 2.89Å; L251-V255 WeakPolarHBondContact O-CG2 3.31Å; L251-V255 PolarHBondContact O-N 2.91Å |
| 252 | Q | 83.8 | Confident | 78.1 | Confident | 101 Ų | 101 | 110.5 Ų | 110.5 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.5 | -46.4 | 175 | -174.4 | 63.1 | 49.6 | 0 | 0 | 111.6 | V248 I249 Q254 V255 D256 | V248-Q252 WeakPolarHBondContact O-CB 3.36Å; V248-Q252 PolarHBondContact O-N 3.01Å; I249-Q252 PolarHBondContact O-N 3.34Å; Q252-Q254 VanDerWaalsContact C-N 3.25Å; Q252-Q254 PolarHBondContact O-N 2.88Å; Q252-V255 PolarHBondContact O-N 3.47Å; Q252-D256 PolarHBondContact NE2-OD1 3.23Å; Q252-D256 VanDerWaalsContact O-CG 3.25Å; Q252-D256 PolarHBondContact O-N 3.43Å |
| 253 | K | 85.2 | Confident | 75.6 | Confident | 155 Ų | 155 | 108.9 Ų | 108.9 | 67% | 0.674 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.4 | -34.8 | 174.3 | -87.2 | -176.7 | 176.2 | 175.9 | 0 | 113.1 | I249 K250 L251 G257 | I249-K253 PolarHBondContact O-N 2.8Å; K250-K253 PolarHBondContact O-N 2.87Å; L251-K253 PolarHBondContact O-N 3.16Å; K253-G257 PolarHBondContact O-N 2.92Å |
| 254 | Q | 84.4 | Confident | 72.9 | Confident | 108 Ų | 108 | 108.6 Ų | 108.6 | 51% | 0.505 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.5 | -45.1 | 177 | -131 | 175.4 | -4.2 | 0 | 0 | 110.4 | K250 L251 Q252 G257 F258 | K250-Q254 PolarHBondContact O-N 3.35Å; K250-Q254 VanDerWaalsContact O-N 3.12Å; L251-Q254 WeakPolarHBondContact O-CA 3.42Å; L251-Q254 WeakPolarHBondContact O-CB 3.39Å; L251-Q254 PolarHBondContact O-N 2.89Å; Q252-Q254 VanDerWaalsContact C-N 3.25Å; Q252-Q254 PolarHBondContact O-N 2.88Å; Q254-G257 PolarHBondContact O-N 3.48Å; Q254-F258 HydrophobicContact CG-CE2 4.11Å; Q254-F258 WeakPolarHBondContact O-CD2 3.36Å; Q254-F258 PolarHBondContact O-N 3.02Å |
| 255 | V | 75.5 | Confident | 70.5 | Confident | 80 Ų | 80 | 108.9 Ų | 108.9 | 49% | 0.485 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.3 | -45.3 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | L251 Q252 G257 F258 Q259 | L251-V255 WeakPolarHBondContact O-CG2 3.31Å; L251-V255 PolarHBondContact O-N 2.91Å; Q252-V255 PolarHBondContact O-N 3.47Å; V255-G257 PolarHBondContact O-N 2.94Å; V255-F258 PolarHBondContact O-N 2.91Å; V255-Q259 PolarHBondContact O-N 3.27Å |
| 256 | D | 75.2 | Confident | 67.8 | Low | 74 Ų | 74 | 109.7 Ų | 109.7 | 40% | 0.396 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.6 | -33.4 | 176.9 | -63.9 | -21.2 | 0 | 0 | 0 | 111.9 | Q252 N260 | Q252-D256 PolarHBondContact NE2-OD1 3.23Å; Q252-D256 VanDerWaalsContact O-CG 3.25Å; Q252-D256 PolarHBondContact O-N 3.43Å; D256-N260 WeakPolarHBondContact O-CB 3.47Å; D256-N260 PolarHBondContact O-N 3.36Å; D256-N260 PolarHBondContact O-ND2 3.3Å; D256-N260 VanDerWaalsContact O-ND2 3.11Å |
| 257 | G | 70.5 | Confident | 65.1 | Low | 43 Ų | 43 | 114.2 Ų | 114.2 | 44% | 0.443 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.5 | -39 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K253 Q254 V255 R261 | K253-G257 PolarHBondContact O-N 2.92Å; Q254-G257 PolarHBondContact O-N 3.48Å; V255-G257 PolarHBondContact O-N 2.94Å; G257-R261 PolarHBondContact O-N 2.88Å |
| 258 | F | 64.1 | Low | 62.2 | Low | 138 Ų | 138 | 115.9 Ų | 115.9 | 61% | 0.605 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.6 | -39.8 | 174.4 | -70.6 | -66.7 | 0 | 0 | 0 | 112 | Q254 V255 N260 R261 S262 | Q254-F258 HydrophobicContact CG-CE2 4.11Å; Q254-F258 WeakPolarHBondContact O-CD2 3.36Å; Q254-F258 PolarHBondContact O-N 3.02Å; V255-F258 PolarHBondContact O-N 2.91Å; F258-N260 PolarHBondContact O-N 2.87Å; F258-R261 WeakPolarHBondContact O-CB 3.48Å; F258-R261 PolarHBondContact O-N 3.19Å; F258-R261 VanDerWaalsContact O-N 3.07Å; F258-S262 PolarHBondContact O-N 2.85Å |
| 259 | Q | 56.7 | Low | 59.7 | Low | 122 Ų | 122 | 119.1 Ų | 119.1 | 57% | 0.57 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62.3 | -44 | 177.9 | -160.5 | 72.4 | 0.1 | 0 | 0 | 111.1 | V255 R261 S262 T263 | V255-Q259 PolarHBondContact O-N 3.27Å; Q259-R261 PolarHBondContact O-N 3.46Å; Q259-S262 PolarHBondContact O-N 3.36Å; Q259-S262 VanDerWaalsContact O-N 3.08Å; Q259-T263 PolarHBondContact O-N 3.12Å; Q259-T263 PolarHBondContact O-OG1 3.21Å; Q259-T263 VanDerWaalsContact O-OG1 3.08Å |
| 260 | N | 54.7 | Low | 56.8 | Low | 126 Ų | 126 | 124.1 Ų | 124.1 | 67% | 0.674 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -66.4 | -24.1 | 175.3 | -74.5 | -36.2 | 0 | 0 | 0 | 113.2 | D256 F258 | D256-N260 WeakPolarHBondContact O-CB 3.47Å; D256-N260 PolarHBondContact O-N 3.36Å; D256-N260 PolarHBondContact O-ND2 3.3Å; D256-N260 VanDerWaalsContact O-ND2 3.11Å; F258-N260 PolarHBondContact O-N 2.87Å |
| 261 | R | 52.1 | Low | 54 | Low | 215 Ų | 215 | 122.8 Ų | 122.8 | 81% | 0.811 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -79.2 | -28.5 | 172.2 | -157.8 | 174.8 | -154.8 | -145.9 | 3.1 | 112.4 | G257 F258 Q259 | G257-R261 PolarHBondContact O-N 2.88Å; F258-R261 WeakPolarHBondContact O-CB 3.48Å; F258-R261 PolarHBondContact O-N 3.19Å; F258-R261 VanDerWaalsContact O-N 3.07Å; Q259-R261 PolarHBondContact O-N 3.46Å |
| 262 | S | 46.5 | Very low | 51.5 | Low | 88 Ų | 88 | 125 Ų | 125 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.1 | -20.5 | -179.1 | -163.7 | 0 | 0 | 0 | 0 | 113.8 | F258 Q259 C264 | F258-S262 PolarHBondContact O-N 2.85Å; Q259-S262 PolarHBondContact O-N 3.36Å; Q259-S262 VanDerWaalsContact O-N 3.08Å; S262-C264 VanDerWaalsContact C-N 3.34Å; S262-C264 PolarHBondContact O-N 2.9Å |
| 263 | T | 40.5 | Very low | 49 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -6.3 | -178.4 | -41.9 | 0 | 0 | 0 | 0 | 114.1 | Q259 | Q259-T263 PolarHBondContact O-N 3.12Å; Q259-T263 PolarHBondContact O-OG1 3.21Å; Q259-T263 VanDerWaalsContact O-OG1 3.08Å |
| 264 | C | 36.9 | Very low | 46.2 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -105.4 | 52.9 | 176.2 | -74.7 | 0 | 0 | 0 | 0 | 112.4 | S262 | S262-C264 VanDerWaalsContact C-N 3.34Å; S262-C264 PolarHBondContact O-N 2.9Å |
| 265 | A | 32.4 | Very low | 43.7 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -151.3 | 135 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 266 | V | 36.5 | Very low | 41.4 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | trans | 84.5 | 64.7 | 177.9 | -156.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 267 | N | 33.1 | Very low | 39.1 | Very low | 162 Ų | 162 | 136 Ų | 136 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | -132.8 | 85.7 | 138.4 | -157.6 | -11.8 | 0 | 0 | 0 | 108 | ||||
| 268 | L | 31.8 | Very low | 37.3 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | -119 | 104.7 | 177.6 | -74.6 | 162.9 | 0 | 0 | 0 | 105.3 | ||||
| 269 | N | 32.7 | Very low | 35.5 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | 173.8 | 80.9 | 155.6 | -84.2 | -22.7 | 0 | 0 | 0 | 109.9 | ||||
| 270 | Q | 27.8 | Very low | 33.9 | Very low | 196 Ų | 196 | 138.9 Ų | 138.9 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -161.6 | 100.5 | 141.6 | -161.7 | 149.8 | 11.1 | 0 | 0 | 109.3 | ||||
| 271 | T | 31.5 | Very low | 32.7 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -67.9 | 141.1 | 167.9 | 37.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 272 | D | 30.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 70.3 | 90.7 | 159.3 | -53.3 | -30 | 0 | 0 | 0 | 118.5 | ||||
| 273 | L | 30.2 | Very low | 30.7 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -146.1 | 90.3 | 132.8 | -149.1 | 70.5 | 0 | 0 | 0 | 110.6 | N275 | L273-N275 PolarHBondContact O-N 3.48Š| ||
| 274 | E | 28.1 | Very low | 30.3 | Very low | 169 Ų | 169 | 143.6 Ų | 143.6 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 20.8 | 89.8 | 130.8 | -63.3 | -179.7 | 152.8 | 0 | 0 | 116 | ||||
| 275 | N | 31.8 | Very low | 29.9 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -138.2 | 79.2 | 143.5 | -113.1 | -14.4 | 0 | 0 | 0 | 109.2 | L273 | L273-N275 PolarHBondContact O-N 3.48Š| ||
| 276 | I | 25.3 | Very low | 29.6 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -57.9 | 145.3 | 148.2 | -58.2 | 172.7 | 0 | 0 | 0 | 107 | ||||
| 277 | T | 27.7 | Very low | 29.4 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 68% | 0.681 | 81% | 0.807 | S | S | * | * | trans | 106.2 | 71.3 | 158.7 | -34 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 278 | S | 32.4 | Very low | 29 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -150.6 | 82.2 | 136.7 | -77.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 279 | I | 26.4 | Very low | 28.8 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | 68.7 | 100.8 | 105.7 | -64.6 | 167.8 | 0 | 0 | 0 | 111.6 | |||||
| 280 | S | 24.2 | Very low | 28.8 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | -45.9 | 141.7 | 153.2 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 281 | T | 29.3 | Very low | 28.8 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | trans | -163.6 | 139.8 | 131.4 | 37.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 282 | F | 28.6 | Very low | 28.8 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 77.8 | 83 | 166.7 | -60.7 | -70.8 | 0 | 0 | 0 | 120.4 | ||||
| 283 | K | 27.6 | Very low | 28.7 | Very low | 209 Ų | 209 | 142.4 Ų | 142.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -68.3 | 136.8 | 131.5 | -81.1 | 175.5 | 171.3 | 175.4 | 0 | 109.4 | ||||
| 284 | T | 30.9 | Very low | 29 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -140.9 | 149.4 | 153.1 | 27.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 285 | D | 28.6 | Very low | 28.9 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -77.6 | 160.9 | -149.6 | -83.3 | -55.7 | 0 | 0 | 0 | 117.8 | ||||
| 286 | K | 27.4 | Very low | 28.7 | Very low | 203 Ų | 203 | 139.4 Ų | 139.4 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -50.2 | 132.5 | 158.1 | -68.7 | 166.5 | 170.4 | 177.5 | 0 | 111.9 | ||||
| 287 | S | 30.9 | Very low | 29 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -149.5 | 149 | 142.8 | 69.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 288 | V | 26.4 | Very low | 29.1 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -104.5 | 151.8 | -160 | 157.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 289 | S | 26.7 | Very low | 28.8 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 80.2 | 107.1 | 158.4 | -170 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 290 | T | 32.3 | Very low | 29.1 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | -148 | 125.5 | 133 | -57.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 291 | D | 29.2 | Very low | 29.3 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -65 | 143.2 | -174.9 | -156.3 | -3.4 | 0 | 0 | 0 | 112 | S293 | D291-S293 PolarHBondContact O-N 3.13Š| ||
| 292 | V | 30.2 | Very low | 29.5 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -86.6 | 95.9 | 176.6 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 293 | S | 29.1 | Very low | 29.5 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -134 | 82.6 | 171.2 | -77.9 | 0 | 0 | 0 | 0 | 109.9 | D291 | D291-S293 PolarHBondContact O-N 3.13Š| ||
| 294 | D | 35.1 | Very low | 29.5 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -134 | 96.3 | 152.8 | -83 | -33.8 | 0 | 0 | 0 | 104.7 | ||||
| 295 | L | 27.6 | Very low | 29.6 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | 64.8 | 91.5 | 75.5 | -156.3 | 79.4 | 0 | 0 | 0 | 113.1 | |||||
| 296 | I | 26.2 | Very low | 29.5 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | 47.7 | 127.7 | 128.5 | -47 | 174 | 0 | 0 | 0 | 117.9 | |||||
| 297 | M | 32.2 | Very low | 29.7 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | 145.6 | 98 | 127.5 | -77.6 | -64 | -64.3 | 0 | 0 | 110.2 | |||||
| 298 | F | 30.8 | Very low | 29.4 | Very low | 182 Ų | 182 | 143.2 Ų | 143.2 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | -171 | 118.3 | 114 | -112 | -83 | 0 | 0 | 0 | 109.1 | |||||
| 299 | A | 25.8 | Very low | 29.4 | Very low | 88 Ų | 88 | 147.8 Ų | 147.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -97.6 | 137.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 300 | E | 32.7 | Very low | 29.5 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -146 | 134.7 | 153.4 | -116 | 172 | -159.9 | 0 | 0 | 110.3 | ||||
| 301 | S | 28.1 | Very low | 29.1 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -81.6 | 149.4 | -166 | -49.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 302 | Q | 33.8 | Very low | 29.2 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -180 | 100.9 | 132.1 | -98.2 | -164.8 | 44.8 | 0 | 0 | 107.7 | ||||
| 303 | E | 27.3 | Very low | 29.1 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | 73.5 | 111.9 | 93 | -85.4 | -152.8 | 133.6 | 0 | 0 | 116.9 | |||||
| 304 | N | 27.7 | Very low | 29 | Very low | 125 Ų | 125 | 156.9 Ų | 156.9 | 67% | 0.668 | 80% | 0.798 | S | S | * | * | 78 | 101.2 | 129.4 | -58.8 | -19.1 | 0 | 0 | 0 | 121.5 | |||||
| 305 | S | 32.8 | Very low | 28.8 | Very low | 113 Ų | 113 | 158.4 Ų | 158.4 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | 155.7 | 107.7 | 113.5 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 306 | K | 28.3 | Very low | 28.7 | Very low | 201 Ų | 201 | 161.7 Ų | 161.7 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | 63.8 | 101.2 | 91.8 | -73.4 | -179.3 | -180 | 170.3 | 0 | 116.1 | |||||
| 307 | K | 30.2 | Very low | 29 | Very low | 205 Ų | 205 | 164.2 Ų | 164.2 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | 164.2 | 99.1 | 120.9 | -91.3 | 169.7 | 179.6 | 175.4 | 0 | 108.9 | |||||
| 308 | S | 25.6 | Very low | 28.9 | Very low | 116 Ų | 116 | 162 Ų | 162 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | 70.3 | 91.3 | 88.2 | 170.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 309 | R | 26.3 | Very low | 28.8 | Very low | 236 Ų | 236 | 159.9 Ų | 159.9 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -124.6 | 131.4 | 149.1 | -155.1 | 171.6 | -172.3 | -178.2 | 2.7 | 108 | ||||
| 310 | P | 28.8 | Very low | 29.1 | Very low | 121 Ų | 121 | 162 Ų | 162 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | -85.6 | 131.2 | -162.5 | 32.4 | -33.1 | 0 | 0 | 0 | 112.3 | ||||
| 311 | S | 24.4 | Very low | 28.8 | Very low | 108 Ų | 108 | 160.9 Ų | 160.9 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -72 | 140.1 | 160 | -39.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 312 | K | 29.6 | Very low | 28.7 | Very low | 183 Ų | 183 | 166.2 Ų | 166.2 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -171.4 | 118.6 | 144.5 | -102.3 | 154.6 | -170.7 | 178.6 | 0 | 114.3 | ||||
| 313 | K | 29.6 | Very low | 28.4 | Very low | 179 Ų | 179 | 165.1 Ų | 165.1 | 78% | 0.778 | 81% | 0.814 | S | S | * | * | trans | 85.1 | 86.6 | 131.9 | -68.5 | 174.8 | 177.7 | -177.8 | 0 | 120 | ||||
| 314 | K | 25.4 | Very low | 28.3 | Very low | 216 Ų | 216 | 164.6 Ų | 164.6 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -48.3 | 126 | 133 | -95.1 | 172.3 | 171.3 | 165.7 | 0 | 110.1 | ||||
| 315 | K | 30.9 | Very low | 28.5 | Very low | 188 Ų | 188 | 164.2 Ų | 164.2 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | trans | -125.3 | 91.7 | 167.4 | -153.2 | 177.2 | -172.9 | 179.4 | 0 | 108.4 | ||||
| 316 | K | 27.1 | Very low | 28.3 | Very low | 211 Ų | 211 | 165.3 Ų | 165.3 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -79.9 | 120.7 | 168.5 | -161.6 | 174.8 | -174.9 | 178.6 | 0 | 106.3 | ||||
| 317 | K | 31.3 | Very low | 28.2 | Very low | 188 Ų | 188 | 163.3 Ų | 163.3 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | trans | -130.8 | 142.4 | 168.9 | -117 | -173.5 | 179.2 | -169.3 | 0 | 109.6 | ||||
| 318 | S | 31.5 | Very low | 28.2 | Very low | 99 Ų | 99 | 158.4 Ų | 158.4 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | -72.2 | 141.8 | -162.2 | 44.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 319 | T | 27.6 | Very low | 28.2 | Very low | 139 Ų | 139 | 162 Ų | 162 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | trans | -1.9 | 123.9 | 134.2 | -48.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 320 | T | 33 | Very low | 28.5 | Very low | 131 Ų | 131 | 156.7 Ų | 156.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -148.7 | 99.4 | 155.9 | -56 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 321 | Q | 24.6 | Very low | 28.3 | Very low | 164 Ų | 164 | 156 Ų | 156 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | 20.3 | 109.5 | 135.2 | -165.4 | 170.3 | -9.3 | 0 | 0 | 120.5 | ||||
| 322 | W | 26.8 | Very low | 28.6 | Very low | 227 Ų | 227 | 160.9 Ų | 160.9 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | 21.5 | 112.1 | 123.8 | -62.5 | 50.4 | 0 | 0 | 0 | 117.9 | |||||
| 323 | D | 28.6 | Very low | 28.4 | Very low | 160 Ų | 160 | 157.6 Ų | 157.6 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -121.4 | 131.5 | 153.6 | -100.6 | -32.1 | 0 | 0 | 0 | 109.3 | ||||
| 324 | I | 24.8 | Very low | 28.3 | Very low | 147 Ų | 147 | 155.9 Ų | 155.9 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | trans | -103.8 | 127.4 | 175.6 | -69.5 | 168.9 | 0 | 0 | 0 | 106.2 | ||||
| 325 | T | 31.6 | Very low | 28.3 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | trans | -151.9 | 116.1 | 164 | -32.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 326 | D | 28.8 | Very low | 28.1 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 54.9 | 101.7 | 143.9 | -61.8 | -27.8 | 0 | 0 | 0 | 123.5 | ||||
| 327 | I | 26.1 | Very low | 28 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | 8.6 | 114.7 | 116.2 | -55.8 | 169.9 | 0 | 0 | 0 | 116.4 | |||||
| 328 | A | 30 | Very low | 27.8 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -134.1 | 109.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 329 | K | 26.2 | Very low | 27.6 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | trans | -93.2 | 139.8 | 172.1 | -128.6 | 175.5 | -174.6 | 175.7 | 0 | 108.2 | ||||
| 330 | P | 31.7 | Very low | 27.6 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -134.3 | 123.9 | 141 | 31.1 | -15.6 | 0 | 0 | 0 | 112 | ||||
| 331 | S | 25.7 | Very low | 27.2 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -68.7 | 139.4 | 171.2 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 332 | K | 29.4 | Very low | 27.4 | Very low | 211 Ų | 211 | 146 Ų | 146 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -140.8 | 111.5 | 154.9 | -98.8 | -179.6 | 179.3 | 176.5 | 0 | 109.3 | ||||
| 333 | S | 25.6 | Very low | 27.3 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -94.7 | 136.1 | 168.9 | 51.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 334 | V | 27.7 | Very low | 27.1 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | trans | -147.6 | 117.5 | 155.2 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 335 | S | 24.8 | Very low | 27.5 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -88.6 | 149.5 | 167.6 | -62 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 336 | C | 26.4 | Very low | 27.2 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 92% | 0.919 | 81% | 0.811 | S | S | * | * | trans | -142.7 | 116.4 | 159.2 | -120.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 337 | E | 25.1 | Very low | 27.4 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -85.3 | 149.5 | 167.8 | -91.2 | 170.3 | 136 | 0 | 0 | 110.4 | ||||
| 338 | M | 29 | Very low | 27.6 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -159.1 | 109.5 | 153.8 | -141.7 | 78.2 | 152.9 | 0 | 0 | 110.7 | ||||
| 339 | S | 27.3 | Very low | 27.4 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | 26.8 | 153.2 | 132 | -66.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 340 | S | 26.1 | Very low | 27.6 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | cis | 173.5 | 139.4 | -8 | -89.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 341 | Q | 24.5 | Very low | 27.3 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 83.2 | 142.7 | 134.5 | -138.2 | 172.7 | 11.3 | 0 | 0 | 124.7 | ||||
| 342 | T | 29.2 | Very low | 27.3 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | trans | 93.4 | 139.5 | 153.7 | 62.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 343 | V | 25.1 | Very low | 27.1 | Very low | 121 Ų | 121 | 144 Ų | 144 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | cis | -179.7 | 135.1 | -22.7 | 136.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 344 | Y | 25 | Very low | 27.2 | Very low | 226 Ų | 226 | 143.9 Ų | 143.9 | 89% | 0.886 | 81% | 0.811 | S | S | * | * | trans | 42.4 | 138.3 | 150.7 | -81.8 | -95.5 | 0 | 0 | 0 | 127.3 | ||||
| 345 | G | 31.5 | Very low | 27 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 165.5 | 88.7 | 147 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 346 | Q | 27.1 | Very low | 27.2 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 57.6 | 113.2 | 101.5 | -90.8 | -168 | -5.3 | 0 | 0 | 119.1 | |||||
| 347 | M | 31 | Very low | 27.1 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 78% | 0.778 | 81% | 0.806 | S | S | * | * | 157.6 | 128.3 | 114.8 | -91.2 | -169.3 | -162.5 | 0 | 0 | 116.7 | |||||
| 348 | K | 30.7 | Very low | 27.2 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | 93.9 | 123 | 135.9 | -74.6 | -167.1 | 178.3 | -169.2 | 0 | 123.9 | ||||
| 349 | D | 27.1 | Very low | 26.9 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -86.2 | 152.4 | 172.1 | -54.1 | -67.4 | 0 | 0 | 0 | 115.5 | ||||
| 350 | S | 30.6 | Very low | 26.9 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -179.1 | 114.5 | 142.7 | 60.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 351 | S | 23.5 | Very low | 27.2 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | 86 | 131.3 | 50.5 | -158.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 352 | V | 27.2 | Very low | 27.2 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | 84.1 | 110.7 | 163 | -163.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 353 | Q | 24.5 | Very low | 27.1 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | 80.4 | 142.1 | 56 | -84.7 | -167 | -11.1 | 0 | 0 | 117.7 | |||||
| 354 | S | 29 | Very low | 27.1 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 75.1 | 115.7 | 168.6 | 55.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 355 | A | 22.9 | Very low | 27.3 | Very low | 96 Ų | 96 | 143 Ų | 143 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | 74 | 106.1 | 59.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 356 | D | 29.1 | Very low | 27.1 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -166.2 | 155.4 | 131 | -128.3 | -22.3 | 0 | 0 | 0 | 113.6 | ||||
| 357 | Q | 23.7 | Very low | 27.2 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -95.8 | -173.9 | -167.3 | -154.3 | 171.7 | 42.9 | 0 | 0 | 111.3 | ||||
| 358 | V | 27 | Very low | 27.1 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | 97.9 | 137.4 | 162.9 | -174 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 359 | E | 24 | Very low | 27.1 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | cis | 176 | 136 | -20.4 | -170.6 | 173 | -167 | 0 | 0 | 105.3 | ||||
| 360 | T | 27.1 | Very low | 27.1 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | trans | 46.5 | 130.9 | 154 | 63 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 361 | K | 30.6 | Very low | 26.8 | Very low | 206 Ų | 206 | 148 Ų | 148 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | -171.7 | 132.4 | 120.2 | -102.7 | 171.8 | -172.9 | -177.3 | 0 | 112.9 | |||||
| 362 | D | 25.1 | Very low | 26.9 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -74.7 | 171.3 | -177.6 | -64.6 | -61.4 | 0 | 0 | 0 | 115.7 | ||||
| 363 | A | 27.4 | Very low | 26.8 | Very low | 85 Ų | 85 | 148.3 Ų | 148.3 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | trans | 95.2 | 110.6 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 364 | F | 25.9 | Very low | 26.7 | Very low | 202 Ų | 202 | 144.7 Ų | 144.7 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | -162.7 | 118.8 | 116.9 | -108.8 | -81.1 | 0 | 0 | 0 | 109 | |||||
| 365 | T | 27.8 | Very low | 26.5 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | -121.3 | 127.8 | 171.3 | -50.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 366 | E | 28.9 | Very low | 26.6 | Very low | 189 Ų | 189 | 145.8 Ų | 145.8 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -143.4 | 121.3 | 162.6 | -161 | 164.5 | -165.6 | 0 | 0 | 108.5 | ||||
| 367 | D | 28 | Very low | 26.2 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | trans | -100 | 165.8 | -170.9 | -102.8 | -33.8 | 0 | 0 | 0 | 111.1 | ||||
| 368 | D | 29.4 | Very low | 26.2 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 75.1 | 116.5 | 153.1 | -64.3 | -30.3 | 0 | 0 | 0 | 120.9 | ||||
| 369 | L | 31.5 | Very low | 26.1 | Very low | 175 Ų | 175 | 144.3 Ų | 144.3 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | -160.2 | 110.8 | 107.9 | -156.8 | 62 | 0 | 0 | 0 | 112.1 | |||||
| 370 | Y | 26.7 | Very low | 26.1 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -96.6 | 140.1 | 176.6 | -100.7 | -94.4 | 0 | 0 | 0 | 111.9 | ||||
| 371 | Q | 24.4 | Very low | 26.1 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 54.2 | 130.2 | 133.4 | -94 | 175.6 | -9.9 | 0 | 0 | 124.5 | ||||
| 372 | S | 24.3 | Very low | 25.8 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | 80.4 | 121.7 | 128.8 | -56.4 | 0 | 0 | 0 | 0 | 121 | |||||
| 373 | N | 26.5 | Very low | 26.3 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | 161.9 | 130.5 | 108.5 | -82 | -36.5 | 0 | 0 | 0 | 113.7 | |||||
| 374 | S | 21.2 | Very low | 26 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -77.8 | 143.2 | 159.8 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 375 | S | 24.9 | Very low | 26.1 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | 164.2 | 145.9 | 126.6 | 73.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 376 | T | 25.6 | Very low | 25.9 | Very low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 80.9 | 93.3 | 143.8 | -28.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 377 | F | 19.6 | Very low | 26 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 77% | 0.772 | 76% | 0.762 | S | S | * | * | 28.1 | 130.1 | 115.2 | -155.4 | -107.8 | 0 | 0 | 0 | 120.7 | |||||
| 378 | V | 24.1 | Very low | 25.8 | Very low | 114 Ų | 114 | 135 Ų | 135 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | 163.5 | 104.3 | 128.1 | 164.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 379 | Q | 24.8 | Very low | 26 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | 65 | 123.3 | 119.9 | -137.4 | 155.5 | -25.8 | 0 | 0 | 124.3 | |||||
| 380 | T | 24.6 | Very low | 25.6 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | 65.6 | 113 | 142.2 | 51.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 381 | D | 26.5 | Very low | 25.7 | Very low | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | -169.4 | 147.6 | 106.7 | -94.2 | -22.5 | 0 | 0 | 0 | 113 | |||||
| 382 | S | 24.7 | Very low | 25.7 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -120.8 | 171.6 | 173 | -164.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 383 | P | 35.2 | Very low | 25.8 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -132.6 | -178 | -8.9 | 31.8 | -9.6 | 0 | 0 | 0 | 114.4 | ||||
| 384 | A | 20.9 | Very low | 25.9 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | 70.6 | 106.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 385 | Q | 29.2 | Very low | 26.3 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -161.3 | 120.5 | 139.4 | -121.5 | 172.5 | 6.1 | 0 | 0 | 113.6 | ||||
| 386 | S | 23.3 | Very low | 26.6 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 18.2 | 121.1 | 139.5 | -49.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 387 | L | 30.8 | Very low | 26.5 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 93% | 0.927 | 78% | 0.777 | S | S | * | * | trans | -158 | 125.5 | 133.4 | -109.6 | 153.7 | 0 | 0 | 0 | 112.1 | ||||
| 388 | S | 24.4 | Very low | 26.9 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -90.5 | 148.8 | -172 | -31.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 389 | K | 32.1 | Very low | 26.9 | Very low | 204 Ų | 204 | 143 Ų | 143 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | 173.5 | 100.1 | 155.6 | -97.5 | 166.2 | -173.9 | -174.7 | 0 | 105.5 | ||||
| 390 | E | 24.2 | Very low | 27.1 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | 72.9 | 132.6 | 56.9 | -158.6 | 166.3 | -171.4 | 0 | 0 | 114.6 | |||||
| 391 | L | 27.7 | Very low | 27 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | 94.8 | 93.3 | -171 | -60.7 | 160.1 | 0 | 0 | 0 | 113.5 | ||||
| 392 | Q | 24 | Very low | 27 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | cis | 82.2 | 103.2 | 41.4 | -159.7 | 154.8 | 10.9 | 0 | 0 | 114.8 | ||||
| 393 | T | 27.8 | Very low | 27.4 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -168.1 | 108.9 | 134.1 | 29.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 394 | D | 27.8 | Very low | 26.7 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | 64.2 | 104.2 | 134.9 | -54.8 | -19.4 | 0 | 0 | 0 | 122.7 | ||||
| 395 | S | 31 | Very low | 26.9 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -83.4 | 147 | 145.3 | 175.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 396 | P | 30.5 | Very low | 26.6 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | -155.2 | 139.5 | 100.4 | 33.6 | -12.1 | 0 | 0 | 0 | 117.3 | |||||
| 397 | Y | 23.9 | Very low | 26.8 | Very low | 215 Ų | 215 | 138.8 Ų | 138.8 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | 37.1 | 128.2 | 126.2 | -85.6 | -100.4 | 0 | 0 | 0 | 120.9 | |||||
| 398 | A | 27.7 | Very low | 26.4 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | 165.9 | 135.9 | 90.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 399 | K | 24.5 | Very low | 26.5 | Very low | 209 Ų | 209 | 137 Ų | 137 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -63.9 | 138.1 | 162.5 | -75.8 | 169.1 | 168.6 | 174.9 | 0 | 110.8 | ||||
| 400 | A | 27.5 | Very low | 26 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -158.2 | 102.3 | 150.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 401 | T | 24 | Very low | 26 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | -24.1 | 131.4 | 145.4 | -52.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 402 | T | 25.8 | Very low | 25.8 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | 22.3 | 158.9 | 148.3 | 43.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 403 | P | 33.7 | Very low | 25.7 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | cis | -145.1 | 173.7 | 19.2 | 36.3 | -12.8 | 0 | 0 | 0 | 117.8 | ||||
| 404 | V | 20.4 | Very low | 25.5 | Very low | 124 Ų | 124 | 130 Ų | 130 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | 9.7 | 126.9 | 142.2 | -172.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 405 | S | 25.6 | Very low | 25.2 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -154.6 | 103 | 147.3 | -71.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 406 | T | 21.9 | Very low | 25 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | 56.8 | 104.3 | 83.8 | -36.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 407 | T | 27.4 | Very low | 24.7 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -175.2 | 89.1 | 137.1 | -55.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 408 | S | 23.1 | Very low | 24.7 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | 57.9 | 96.4 | 89.5 | -57.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 409 | V | 25.7 | Very low | 24.6 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | trans | -121.5 | 109.6 | 139.8 | 177.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 410 | E | 21.8 | Very low | 24.7 | Very low | 151 Ų | 151 | 128 Ų | 128 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -94.6 | 116.6 | 178.2 | 172.8 | 179.9 | -162.4 | 0 | 0 | 106.6 | ||||
| 411 | I | 25.3 | Very low | 24.5 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -134.1 | 125.7 | 150.3 | -59.5 | -176.5 | 0 | 0 | 0 | 108.5 | ||||
| 412 | Q | 22.2 | Very low | 24.6 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -89 | 150.8 | -169.6 | -102.9 | -177.9 | -16.7 | 0 | 0 | 111.9 | ||||
| 413 | V | 21.7 | Very low | 24.5 | Very low | 117 Ų | 117 | 135 Ų | 135 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | 92.3 | 104.6 | 127.3 | 171.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 414 | S | 24 | Very low | 24 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | 78.5 | 114.2 | 125.8 | 74.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 415 | S | 22.2 | Very low | 24.4 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | 50.9 | 115.6 | 113.1 | -168.3 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 416 | T | 27.2 | Very low | 24.3 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | -142.4 | 101.1 | 140.3 | 49.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 417 | D | 22.9 | Very low | 24.8 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -71.1 | 131.8 | 155.5 | -69.3 | -45.1 | 0 | 0 | 0 | 108.7 | ||||
| 418 | C | 24.9 | Very low | 24.6 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | -160.1 | 108.8 | 147.3 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 419 | E | 24.3 | Very low | 24.7 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -61.2 | 139.3 | 156.7 | -68.3 | 172.3 | 139.8 | 0 | 0 | 109.3 | ||||
| 420 | N | 27.3 | Very low | 24.8 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -151 | 111.1 | 158.5 | -108.3 | -6.2 | 0 | 0 | 0 | 109.9 | Y422 | N420-Y422 HydrophobicContact CB-CE2 4.3Š| ||
| 421 | A | 23.5 | Very low | 25.2 | Very low | 90 Ų | 90 | 136.5 Ų | 136.5 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | trans | -87.1 | 132.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 422 | Y | 25.9 | Very low | 25.4 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -145.1 | 99.9 | 163.3 | -72.8 | -77.1 | 0 | 0 | 0 | 107.2 | N420 | N420-Y422 HydrophobicContact CB-CE2 4.3Š| ||
| 423 | Y | 24.1 | Very low | 25.7 | Very low | 213 Ų | 213 | 134.5 Ų | 134.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | 61.1 | 103.1 | 94.7 | -103.6 | -90.1 | 0 | 0 | 0 | 116.1 | |||||
| 424 | L | 22.8 | Very low | 25.9 | Very low | 143 Ų | 143 | 135 Ų | 135 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | 40.3 | 124.3 | 122.3 | -153.5 | 71.7 | 0 | 0 | 0 | 119.3 | |||||
| 425 | G | 28.1 | Very low | 26 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -158.9 | 103.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 426 | D | 24.6 | Very low | 26.2 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -63.7 | 141.7 | 170.3 | -62.1 | -57.5 | 0 | 0 | 0 | 112.2 | ||||
| 427 | I | 31 | Very low | 26 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -136.2 | 107.2 | 159.7 | -61.5 | -177.6 | 0 | 0 | 0 | 109.4 | ||||
| 428 | D | 24.5 | Very low | 26.3 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -70.5 | 163.4 | 167.2 | -81.2 | -45.8 | 0 | 0 | 0 | 113.6 | ||||
| 429 | N | 24.3 | Very low | 26.3 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | 72.9 | 117.6 | 147.9 | -78 | -34 | 0 | 0 | 0 | 119.2 | ||||
| 430 | A | 28.7 | Very low | 26.9 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | 167.6 | 136.5 | 98.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 431 | S | 30.6 | Very low | 27.4 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 69.3 | 90.4 | 140.1 | -165.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 432 | S | 28.5 | Very low | 28.1 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -89.2 | 123.3 | 160.2 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 433 | N | 28.7 | Very low | 28.6 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -98.8 | 111.8 | 166.5 | -89.6 | -32 | 0 | 0 | 0 | 109.2 | ||||
| 434 | N | 26.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | 17.5 | 101.2 | 134.6 | -163.3 | 20.9 | 0 | 0 | 0 | 118 | ||||
| 435 | Y | 26.5 | Very low | 30.3 | Very low | 236 Ų | 236 | 140 Ų | 140 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | -147.5 | 130.1 | 131.6 | -84.8 | -72.2 | 0 | 0 | 0 | 110.4 | ||||
| 436 | H | 24.5 | Very low | 30.9 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | -92 | 114 | -170.4 | 173.2 | -71.1 | 0 | 0 | 0 | 109.5 | T438 | H436-T438 VanDerWaalsContact CE1-CG2 3.46Å; H436-T438 WeakPolarHBondContact CE1-CG2 3.39Å; H436-T438 WeakPolarHBondContact NE2-CG2 3.39Å | ||
| 437 | F | 24.7 | Very low | 31.7 | Very low | 207 Ų | 207 | 140.7 Ų | 140.7 | 91% | 0.908 | 75% | 0.75 | S | S | * | * | trans | -132.3 | 100.3 | 154.3 | -134.6 | -93.3 | 0 | 0 | 0 | 108.4 | C439 | F437-C439 PolarHBondContact O-N 3.35Š| ||
| 438 | T | 28 | Very low | 32.6 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 64% | 0.644 | 73% | 0.727 | S | S | * | * | trans | -77.4 | 109.6 | 176.3 | 44.8 | 0 | 0 | 0 | 0 | 108.9 | H436 | H436-T438 VanDerWaalsContact CE1-CG2 3.46Å; H436-T438 WeakPolarHBondContact CE1-CG2 3.39Å; H436-T438 WeakPolarHBondContact NE2-CG2 3.39Å | ||
| 439 | C | 25.8 | Very low | 33.6 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | trans | -113.2 | 138.9 | 156.9 | -161 | 0 | 0 | 0 | 0 | 108.9 | F437 | F437-C439 PolarHBondContact O-N 3.35Š| ||
| 440 | S | 35.9 | Very low | 34.4 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -79.3 | 129.6 | -159.3 | -60.2 | 0 | 0 | 0 | 0 | 114.1 | E442 | S440-E442 VanDerWaalsContact C-N 3.31Å; S440-E442 PolarHBondContact O-N 3.5Å | ||
| 441 | N | 38.2 | Very low | 35.9 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 36.9 | -5.2 | 139.7 | -74.7 | 1.7 | 0 | 0 | 0 | 124.9 | ||
| 442 | E | 38.7 | Very low | 37.4 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -79.5 | -28 | 174.3 | -86.3 | -177.2 | 162 | 0 | 0 | 113.1 | S440 Q444 Q445 | S440-E442 VanDerWaalsContact C-N 3.31Å; S440-E442 PolarHBondContact O-N 3.5Å; E442-Q444 PolarHBondContact O-N 3.01Å; E442-Q445 PolarHBondContact O-N 3.28Å |
| 443 | E | 36.9 | Very low | 38.8 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -71.4 | -24.3 | 178 | -79.1 | -176.4 | 156.3 | 0 | 0 | 113.9 | T446 Q447 | E443-T446 PolarHBondContact O-OG1 3.01Å; E443-Q447 WeakPolarHBondContact O-CB 3.31Å; E443-Q447 PolarHBondContact O-N 3.21Å; E443-Q447 VanDerWaalsContact O-N 3.12Å |
| 444 | Q | 39.9 | Very low | 40.5 | Very low | 144 Ų | 144 | 132 Ų | 132 | 67% | 0.673 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.9 | -27.3 | 177.2 | -77.3 | -163 | -4.7 | 0 | 0 | 113 | E442 S448 | E442-Q444 PolarHBondContact O-N 3.01Å; Q444-S448 WeakPolarHBondContact O-CB 3.48Å; Q444-S448 PolarHBondContact O-N 3.41Å |
| 445 | Q | 42.8 | Very low | 42.6 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.6 | -38 | 178.4 | -161.8 | 143.1 | 15.5 | 0 | 0 | 111.2 | E442 S448 S449 | E442-Q445 PolarHBondContact O-N 3.28Å; Q445-S448 PolarHBondContact O-N 3.22Å; Q445-S448 PolarHBondContact O-OG 3.05Å; Q445-S449 PolarHBondContact O-N 3.4Å; Q445-S449 VanDerWaalsContact O-N 3.14Å; Q445-S449 PolarHBondContact O-OG 3.45Å |
| 446 | T | 39.7 | Very low | 44.9 | Very low | 88 Ų | 88 | 123.7 Ų | 123.7 | 54% | 0.54 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.6 | -35.9 | 174 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | E443 S448 S449 L450 | E443-T446 PolarHBondContact O-OG1 3.01Å; T446-S448 VanDerWaalsContact C-N 3.33Å; T446-S448 PolarHBondContact O-N 3.17Å; T446-S449 PolarHBondContact O-N 2.94Å; T446-L450 PolarHBondContact O-N 2.69Å |
| 447 | Q | 40.6 | Very low | 47.2 | Very low | 139 Ų | 139 | 119.7 Ų | 119.7 | 65% | 0.65 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.2 | -34 | 171.7 | -115.6 | -175.3 | -7.4 | 0 | 0 | 112.8 | E443 R451 | E443-Q447 WeakPolarHBondContact O-CB 3.31Å; E443-Q447 PolarHBondContact O-N 3.21Å; E443-Q447 VanDerWaalsContact O-N 3.12Å; Q447-R451 VanDerWaalsContact O-CB 3.31Å; Q447-R451 WeakPolarHBondContact O-CB 3.38Å; Q447-R451 PolarHBondContact O-N 2.87Å |
| 448 | S | 50.4 | Low | 49.6 | Very low | 55 Ų | 55 | 114.8 Ų | 114.8 | 39% | 0.385 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66 | -40.6 | 175.2 | 73 | 0 | 0 | 0 | 0 | 112 | Q444 Q445 T446 R451 D452 | Q444-S448 WeakPolarHBondContact O-CB 3.48Å; Q444-S448 PolarHBondContact O-N 3.41Å; Q445-S448 PolarHBondContact O-N 3.22Å; Q445-S448 PolarHBondContact O-OG 3.05Å; T446-S448 VanDerWaalsContact C-N 3.33Å; T446-S448 PolarHBondContact O-N 3.17Å; S448-R451 PolarHBondContact O-N 3.26Å; S448-D452 PolarHBondContact O-N 2.97Å |
| 449 | S | 46.4 | Very low | 52.1 | Low | 68 Ų | 68 | 115.7 Ų | 115.7 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.2 | -38.7 | 176 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | Q445 T446 R451 D452 V453 | Q445-S449 PolarHBondContact O-N 3.4Å; Q445-S449 VanDerWaalsContact O-N 3.14Å; Q445-S449 PolarHBondContact O-OG 3.45Å; T446-S449 PolarHBondContact O-N 2.94Å; S449-R451 VanDerWaalsContact C-N 3.34Å; S449-D452 PolarHBondContact O-N 3.4Å; S449-V453 WeakPolarHBondContact O-CG2 3.35Å; S449-V453 PolarHBondContact O-N 2.93Å; S449-V453 VanDerWaalsContact O-N 3.1Å |
| 450 | L | 41.7 | Very low | 54.6 | Low | 114 Ų | 114 | 114.7 Ų | 114.7 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.9 | -35.5 | 173.6 | -76.5 | 176.5 | 0 | 0 | 0 | 112.3 | T446 D452 V453 L454 | T446-L450 PolarHBondContact O-N 2.69Å; L450-D452 VanDerWaalsContact C-N 3.34Å; L450-V453 PolarHBondContact O-N 3.2Å; L450-L454 WeakPolarHBondContact O-CG 3.42Å; L450-L454 PolarHBondContact O-N 3.38Å |
| 451 | R | 60.3 | Low | 56.8 | Low | 196 Ų | 196 | 114 Ų | 114 | 74% | 0.74 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.1 | -37.5 | 175 | -166.4 | 178.7 | -171.1 | 166.7 | 3.2 | 111.9 | Q447 S448 S449 S455 | Q447-R451 VanDerWaalsContact O-CB 3.31Å; Q447-R451 WeakPolarHBondContact O-CB 3.38Å; Q447-R451 PolarHBondContact O-N 2.87Å; S448-R451 PolarHBondContact O-N 3.26Å; S449-R451 VanDerWaalsContact C-N 3.34Å; R451-S455 VanDerWaalsContact O-CB 3.29Å; R451-S455 WeakPolarHBondContact O-CB 3.43Å; R451-S455 PolarHBondContact O-N 2.87Å |
| 452 | D | 61.3 | Low | 59.1 | Low | 95 Ų | 95 | 113.7 Ų | 113.7 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.1 | -35.5 | 174.7 | -78.4 | -7.2 | 0 | 0 | 0 | 112.3 | S448 S449 L450 K456 | S448-D452 PolarHBondContact O-N 2.97Å; S449-D452 PolarHBondContact O-N 3.4Å; L450-D452 VanDerWaalsContact C-N 3.34Å; D452-K456 WeakPolarHBondContact O-CB 3.45Å; D452-K456 WeakPolarHBondContact O-CD 3.47Å; D452-K456 WeakPolarHBondContact O-CG 3.31Å; D452-K456 PolarHBondContact O-N 2.92Å |
| 453 | V | 58.2 | Low | 61.2 | Low | 96 Ų | 96 | 110.9 Ų | 110.9 | 58% | 0.582 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.2 | -44.1 | 175.7 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | S449 L450 S455 K456 S457 | S449-V453 WeakPolarHBondContact O-CG2 3.35Å; S449-V453 PolarHBondContact O-N 2.93Å; S449-V453 VanDerWaalsContact O-N 3.1Å; L450-V453 PolarHBondContact O-N 3.2Å; V453-S455 VanDerWaalsContact C-N 3.35Å; V453-K456 PolarHBondContact O-N 3.03Å; V453-S457 PolarHBondContact O-N 3.49Å |
| 454 | L | 64.2 | Low | 63.4 | Low | 117 Ų | 117 | 106.8 Ų | 106.8 | 61% | 0.613 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.5 | -42.4 | 174.7 | -71.8 | 172 | 0 | 0 | 0 | 111.4 | L450 K456 S457 D458 | L450-L454 WeakPolarHBondContact O-CG 3.42Å; L450-L454 PolarHBondContact O-N 3.38Å; L454-K456 VanDerWaalsContact C-N 3.3Å; L454-K456 PolarHBondContact O-N 3.07Å; L454-S457 WeakPolarHBondContact O-CB 3.48Å; L454-S457 PolarHBondContact O-N 3.17Å; L454-S457 VanDerWaalsContact O-N 3.17Å; L454-D458 PolarHBondContact O-N 3.28Å |
| 455 | S | 70.5 | Confident | 65.6 | Low | 65 Ų | 65 | 105 Ų | 105 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | 176.7 | -169.5 | 0 | 0 | 0 | 0 | 112.6 | R451 V453 E459 | R451-S455 VanDerWaalsContact O-CB 3.29Å; R451-S455 WeakPolarHBondContact O-CB 3.43Å; R451-S455 PolarHBondContact O-N 2.87Å; V453-S455 VanDerWaalsContact C-N 3.35Å; S455-E459 PolarHBondContact O-N 3.19Å |
| 456 | K | 74.3 | Confident | 67.6 | Low | 122 Ų | 122 | 103.5 Ų | 103.5 | 53% | 0.53 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.9 | -33.9 | 175.9 | -79.3 | 161.2 | -176.7 | 164.8 | 0 | 112.5 | D452 V453 L454 D458 E459 I460 | D452-K456 WeakPolarHBondContact O-CB 3.45Å; D452-K456 WeakPolarHBondContact O-CD 3.47Å; D452-K456 WeakPolarHBondContact O-CG 3.31Å; D452-K456 PolarHBondContact O-N 2.92Å; V453-K456 PolarHBondContact O-N 3.03Å; L454-K456 VanDerWaalsContact C-N 3.3Å; L454-K456 PolarHBondContact O-N 3.07Å; K456-D458 VanDerWaalsContact C-N 3.34Å; K456-E459 PolarHBondContact O-N 3.4Å; K456-I460 VanDerWaalsContact O-CG1 3.3Å; K456-I460 WeakPolarHBondContact O-CG1 3.43Å; K456-I460 PolarHBondContact O-N 2.99Å |
| 457 | S | 72.1 | Confident | 69.3 | Low | 58 Ų | 58 | 104.1 Ų | 104.1 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 172.8 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | V453 L454 I460 N461 | V453-S457 PolarHBondContact O-N 3.49Å; L454-S457 WeakPolarHBondContact O-CB 3.48Å; L454-S457 PolarHBondContact O-N 3.17Å; L454-S457 VanDerWaalsContact O-N 3.17Å; S457-I460 PolarHBondContact O-N 3.21Å; S457-N461 PolarHBondContact O-N 3.13Å; S457-N461 PolarHBondContact O-ND2 3.36Å |
| 458 | D | 76.2 | Confident | 71.5 | Confident | 104 Ų | 104 | 100.6 Ų | 100.6 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.8 | -40.7 | 175.8 | -68.2 | -26.9 | 0 | 0 | 0 | 111.6 | L454 K456 I460 N461 E462 | L454-D458 PolarHBondContact O-N 3.28Å; K456-D458 VanDerWaalsContact C-N 3.34Å; D458-I460 VanDerWaalsContact C-N 3.34Å; D458-I460 PolarHBondContact O-N 3.43Å; D458-N461 PolarHBondContact O-N 3.4Å; D458-E462 WeakPolarHBondContact O-CB 3.37Å; D458-E462 PolarHBondContact O-N 2.95Å |
| 459 | E | 80.2 | Confident | 73.1 | Confident | 125 Ų | 125 | 102.9 Ų | 102.9 | 58% | 0.584 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.1 | -41.3 | 172.8 | -106.5 | 179.5 | 173.6 | 0 | 0 | 112.8 | S455 K456 E462 L463 | S455-E459 PolarHBondContact O-N 3.19Å; K456-E459 PolarHBondContact O-N 3.4Å; E459-E462 PolarHBondContact O-N 3.3Å; E459-L463 WeakPolarHBondContact O-CG 3.33Å; E459-L463 PolarHBondContact O-N 2.99Å |
| 460 | I | 79.3 | Confident | 74.8 | Confident | 103 Ų | 103 | 104.5 Ų | 104.5 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 177.3 | -73.8 | 165.4 | 0 | 0 | 0 | 110.6 | K456 S457 D458 E462 L463 V464 | K456-I460 VanDerWaalsContact O-CG1 3.3Å; K456-I460 WeakPolarHBondContact O-CG1 3.43Å; K456-I460 PolarHBondContact O-N 2.99Å; S457-I460 PolarHBondContact O-N 3.21Å; D458-I460 VanDerWaalsContact C-N 3.34Å; D458-I460 PolarHBondContact O-N 3.43Å; I460-E462 VanDerWaalsContact C-N 3.28Å; I460-E462 PolarHBondContact O-N 2.82Å; I460-L463 PolarHBondContact O-N 3.5Å; I460-V464 WeakPolarHBondContact O-CG2 3.45Å; I460-V464 PolarHBondContact O-N 3.3Å |
| 461 | N | 81.9 | Confident | 76.6 | Confident | 90 Ų | 90 | 103.2 Ų | 103.2 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 176.2 | -73.2 | -32.7 | 0 | 0 | 0 | 111.1 | S457 D458 L463 V464 D465 | S457-N461 PolarHBondContact O-N 3.13Å; S457-N461 PolarHBondContact O-ND2 3.36Å; D458-N461 PolarHBondContact O-N 3.4Å; N461-L463 PolarHBondContact O-N 2.91Å; N461-V464 PolarHBondContact O-N 3.01Å; N461-D465 PolarHBondContact O-N 3.33Å |
| 462 | E | 85.4 | Confident | 77.8 | Confident | 128 Ų | 128 | 98.1 Ų | 98.1 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.5 | -34.9 | 177 | -168.7 | 151.8 | -176.2 | 0 | 0 | 112.6 | D458 E459 I460 Q466 | D458-E462 WeakPolarHBondContact O-CB 3.37Å; D458-E462 PolarHBondContact O-N 2.95Å; E459-E462 PolarHBondContact O-N 3.3Å; I460-E462 VanDerWaalsContact C-N 3.28Å; I460-E462 PolarHBondContact O-N 2.82Å; E462-Q466 WeakPolarHBondContact O-CB 3.46Å; E462-Q466 WeakPolarHBondContact O-CG 3.49Å; E462-Q466 PolarHBondContact O-N 3.01Å |
| 463 | L | 84 | Confident | 78.9 | Confident | 110 Ų | 110 | 97.4 Ų | 97.4 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 171.5 | -79.9 | 168.3 | 0 | 0 | 0 | 112.7 | E459 I460 N461 Q466 L467 | E459-L463 WeakPolarHBondContact O-CG 3.33Å; E459-L463 PolarHBondContact O-N 2.99Å; I460-L463 PolarHBondContact O-N 3.5Å; N461-L463 PolarHBondContact O-N 2.91Å; L463-Q466 PolarHBondContact O-N 3.45Å; L463-L467 WeakPolarHBondContact O-CB 3.3Å; L463-L467 PolarHBondContact O-N 2.86Å |
| 464 | V | 82.2 | Confident | 79.4 | Confident | 80 Ų | 80 | 99.5 Ų | 99.5 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 111 | I460 N461 L467 T468 | I460-V464 WeakPolarHBondContact O-CG2 3.45Å; I460-V464 PolarHBondContact O-N 3.3Å; N461-V464 PolarHBondContact O-N 3.01Å; V464-L467 PolarHBondContact O-N 2.92Å; V464-T468 WeakPolarHBondContact O-CB 3.4Å; V464-T468 PolarHBondContact O-N 3.36Å; V464-T468 PolarHBondContact O-OG1 3.16Å |
| 465 | D | 85.5 | Confident | 79.8 | Confident | 105 Ų | 105 | 98.2 Ų | 98.2 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -38.4 | 174.9 | -85.1 | -14.8 | 0 | 0 | 0 | 111.9 | N461 T468 N469 | N461-D465 PolarHBondContact O-N 3.33Å; D465-T468 PolarHBondContact O-N 2.89Å; D465-N469 WeakPolarHBondContact O-CB 3.38Å; D465-N469 PolarHBondContact O-N 2.96Å; D465-N469 PolarHBondContact O-ND2 3.48Å |
| 466 | Q | 86 | Confident | 80.1 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -49 | 171.9 | -84.4 | -179 | 10.5 | 0 | 0 | 111.8 | E462 L463 T468 N469 E470 | E462-Q466 WeakPolarHBondContact O-CB 3.46Å; E462-Q466 WeakPolarHBondContact O-CG 3.49Å; E462-Q466 PolarHBondContact O-N 3.01Å; L463-Q466 PolarHBondContact O-N 3.45Å; Q466-T468 VanDerWaalsContact C-N 3.31Å; Q466-T468 PolarHBondContact O-N 3.04Å; Q466-N469 PolarHBondContact O-N 3.34Å; Q466-E470 WeakPolarHBondContact O-CB 3.34Å; Q466-E470 PolarHBondContact O-N 3.01Å |
| 467 | L | 75.7 | Confident | 80.1 | Confident | 100 Ų | 100 | 101 Ų | 101 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 179.8 | -169.5 | 73.6 | 0 | 0 | 0 | 111.4 | L463 V464 N469 E470 I471 | L463-L467 WeakPolarHBondContact O-CB 3.3Å; L463-L467 PolarHBondContact O-N 2.86Å; V464-L467 PolarHBondContact O-N 2.92Å; L467-N469 PolarHBondContact O-N 2.95Å; L467-E470 PolarHBondContact O-N 3.14Å; L467-I471 HydrophobicContact CG-CD1 4.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.45Å; L467-I471 PolarHBondContact O-N 3.44Å |
| 468 | T | 86.1 | Confident | 79.7 | Confident | 66 Ų | 66 | 102.7 Ų | 102.7 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.7 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | V464 D465 Q466 E470 N472 | V464-T468 WeakPolarHBondContact O-CB 3.4Å; V464-T468 PolarHBondContact O-N 3.36Å; V464-T468 PolarHBondContact O-OG1 3.16Å; D465-T468 PolarHBondContact O-N 2.89Å; Q466-T468 VanDerWaalsContact C-N 3.31Å; Q466-T468 PolarHBondContact O-N 3.04Å; T468-E470 VanDerWaalsContact C-N 3.35Å; T468-N472 WeakPolarHBondContact O-CB 3.41Å; T468-N472 VanDerWaalsContact O-CG 3.29Å; T468-N472 PolarHBondContact O-N 3.35Å; T468-N472 PolarHBondContact O-ND2 3.46Å |
| 469 | N | 83.5 | Confident | 79.5 | Confident | 103 Ų | 103 | 103.2 Ų | 103.2 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66 | -36.6 | 174.4 | -78.4 | -34 | 0 | 0 | 0 | 112.4 | D465 Q466 L467 N472 T473 | D465-N469 WeakPolarHBondContact O-CB 3.38Å; D465-N469 PolarHBondContact O-N 2.96Å; D465-N469 PolarHBondContact O-ND2 3.48Å; Q466-N469 PolarHBondContact O-N 3.34Å; L467-N469 PolarHBondContact O-N 2.95Å; N469-N472 PolarHBondContact O-N 3.33Å; N469-T473 WeakPolarHBondContact O-CB 3.26Å; N469-T473 PolarHBondContact O-N 3.1Å; N469-T473 PolarHBondContact O-OG1 3.46Å |
| 470 | E | 81.5 | Confident | 79 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 177 | -142.2 | -179.7 | -161.4 | 0 | 0 | 111.2 | Q466 L467 T468 N472 T473 Y474 | Q466-E470 WeakPolarHBondContact O-CB 3.34Å; Q466-E470 PolarHBondContact O-N 3.01Å; L467-E470 PolarHBondContact O-N 3.14Å; T468-E470 VanDerWaalsContact C-N 3.35Å; E470-N472 PolarHBondContact O-N 3.27Å; E470-T473 CarbonylContact O-C 3.6Å; E470-T473 WeakPolarHBondContact O-CA 3.38Å; E470-T473 WeakPolarHBondContact O-CB 3.45Å; E470-T473 PolarHBondContact O-N 2.89Å; E470-T473 VanDerWaalsContact O-N 3.09Å; E470-Y474 HydrophobicContact CB-CE2 4.48Å; E470-Y474 HydrophobicContact CG-CD2 4.35Å; E470-Y474 HydrophobicContact CG-CE2 3.8Å; E470-Y474 WeakPolarHBondContact O-CD2 3.42Å; E470-Y474 PolarHBondContact O-N 3.36Å |
| 471 | I | 80.8 | Confident | 78.1 | Confident | 86 Ų | 86 | 100 Ų | 100 | 44% | 0.441 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 173.9 | -70 | 167.2 | 0 | 0 | 0 | 111 | L467 T473 Y474 N475 | L467-I471 HydrophobicContact CG-CD1 4.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.45Å; L467-I471 PolarHBondContact O-N 3.44Å; I471-T473 VanDerWaalsContact C-N 3.26Å; I471-T473 PolarHBondContact O-N 3.38Å; I471-Y474 PolarHBondContact O-N 3.41Å; I471-N475 WeakPolarHBondContact O-CB 3.39Å; I471-N475 PolarHBondContact O-N 2.95Å; I471-N475 PolarHBondContact O-ND2 3.18Å |
| 472 | N | 84.1 | Confident | 76.6 | Confident | 89 Ų | 89 | 98.3 Ų | 98.3 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 175.9 | -74.8 | -31.1 | 0 | 0 | 0 | 112 | T468 N469 E470 R476 | T468-N472 WeakPolarHBondContact O-CB 3.41Å; T468-N472 VanDerWaalsContact O-CG 3.29Å; T468-N472 PolarHBondContact O-N 3.35Å; T468-N472 PolarHBondContact O-ND2 3.46Å; N469-N472 PolarHBondContact O-N 3.33Å; E470-N472 PolarHBondContact O-N 3.27Å; N472-R476 VanDerWaalsContact O-CB 3.32Å; N472-R476 WeakPolarHBondContact O-CB 3.41Å; N472-R476 PolarHBondContact O-N 2.85Å |
| 473 | T | 84.9 | Confident | 75.5 | Confident | 81 Ų | 81 | 97 Ų | 97 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.1 | -45 | 174.8 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | N469 E470 I471 N475 R476 V477 | N469-T473 WeakPolarHBondContact O-CB 3.26Å; N469-T473 PolarHBondContact O-N 3.1Å; N469-T473 PolarHBondContact O-OG1 3.46Å; E470-T473 CarbonylContact O-C 3.6Å; E470-T473 WeakPolarHBondContact O-CA 3.38Å; E470-T473 WeakPolarHBondContact O-CB 3.45Å; E470-T473 PolarHBondContact O-N 2.89Å; E470-T473 VanDerWaalsContact O-N 3.09Å; I471-T473 VanDerWaalsContact C-N 3.26Å; I471-T473 PolarHBondContact O-N 3.38Å; T473-N475 PolarHBondContact O-N 2.89Å; T473-R476 PolarHBondContact O-N 2.84Å; T473-V477 HydrophobicContact CG2-CG2 4.43Å; T473-V477 WeakPolarHBondContact O-CB 3.47Å; T473-V477 VanDerWaalsContact O-CG2 3.28Å; T473-V477 WeakPolarHBondContact O-CG2 3.36Å; T473-V477 PolarHBondContact O-N 3.5Å |
| 474 | Y | 68.5 | Low | 74.4 | Confident | 139 Ų | 139 | 102.6 Ų | 102.6 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 174.2 | -75 | -59.3 | 0 | 0 | 0 | 111.7 | E470 I471 R476 V477 I478 | E470-Y474 HydrophobicContact CB-CE2 4.48Å; E470-Y474 HydrophobicContact CG-CD2 4.35Å; E470-Y474 HydrophobicContact CG-CE2 3.8Å; E470-Y474 WeakPolarHBondContact O-CD2 3.42Å; E470-Y474 PolarHBondContact O-N 3.36Å; I471-Y474 PolarHBondContact O-N 3.41Å; Y474-R476 VanDerWaalsContact C-N 3.31Å; Y474-R476 PolarHBondContact O-N 3.31Å; Y474-V477 PolarHBondContact O-N 3.43Å; Y474-I478 WeakPolarHBondContact O-CB 3.02Å; Y474-I478 VanDerWaalsContact O-CG1 3.25Å; Y474-I478 WeakPolarHBondContact O-CG1 3.11Å; Y474-I478 PolarHBondContact O-N 2.83Å |
| 475 | N | 72.5 | Confident | 73 | Confident | 91 Ų | 91 | 104 Ų | 104 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 175.6 | -76.8 | -35 | 0 | 0 | 0 | 111.9 | I471 T473 I478 F479 | I471-N475 WeakPolarHBondContact O-CB 3.39Å; I471-N475 PolarHBondContact O-N 2.95Å; I471-N475 PolarHBondContact O-ND2 3.18Å; T473-N475 PolarHBondContact O-N 2.89Å; N475-I478 PolarHBondContact O-N 3.33Å; N475-F479 VanDerWaalsContact O-CB 3.3Å; N475-F479 WeakPolarHBondContact O-CB 3.42Å; N475-F479 PolarHBondContact O-N 2.94Å |
| 476 | R | 77.1 | Confident | 71.3 | Confident | 178 Ų | 178 | 101.9 Ų | 101.9 | 67% | 0.672 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.6 | -41.5 | 175.6 | -170.4 | 176.8 | -172.8 | -130.9 | -0.4 | 112.2 | N472 T473 Y474 F479 D480 | N472-R476 VanDerWaalsContact O-CB 3.32Å; N472-R476 WeakPolarHBondContact O-CB 3.41Å; N472-R476 PolarHBondContact O-N 2.85Å; T473-R476 PolarHBondContact O-N 2.84Å; Y474-R476 VanDerWaalsContact C-N 3.31Å; Y474-R476 PolarHBondContact O-N 3.31Å; R476-F479 PolarHBondContact O-N 3.1Å; R476-D480 WeakPolarHBondContact O-CB 3.44Å; R476-D480 PolarHBondContact O-N 3.36Å |
| 477 | V | 75 | Confident | 69.4 | Low | 68 Ų | 68 | 98.9 Ų | 98.9 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | T473 Y474 F479 D480 I481 | T473-V477 HydrophobicContact CG2-CG2 4.43Å; T473-V477 WeakPolarHBondContact O-CB 3.47Å; T473-V477 VanDerWaalsContact O-CG2 3.28Å; T473-V477 WeakPolarHBondContact O-CG2 3.36Å; T473-V477 PolarHBondContact O-N 3.5Å; Y474-V477 PolarHBondContact O-N 3.43Å; V477-F479 VanDerWaalsContact C-N 3.33Å; V477-F479 PolarHBondContact O-N 2.86Å; V477-D480 PolarHBondContact O-N 3.06Å; V477-I481 HydrophobicContact CG1-CD1 3.61Å; V477-I481 HydrophobicContact CG1-CG1 4.25Å; V477-I481 WeakPolarHBondContact O-CB 3.35Å; V477-I481 WeakPolarHBondContact O-CD1 3.49Å; V477-I481 WeakPolarHBondContact O-CG1 3.19Å; V477-I481 PolarHBondContact O-N 3.23Å |
| 478 | I | 62.5 | Low | 68.3 | Low | 92 Ų | 92 | 100.5 Ų | 100.5 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 174.1 | -69.9 | 170 | 0 | 0 | 0 | 109.8 | Y474 N475 D480 I481 L482 | Y474-I478 WeakPolarHBondContact O-CB 3.02Å; Y474-I478 VanDerWaalsContact O-CG1 3.25Å; Y474-I478 WeakPolarHBondContact O-CG1 3.11Å; Y474-I478 PolarHBondContact O-N 2.83Å; N475-I478 PolarHBondContact O-N 3.33Å; I478-D480 PolarHBondContact O-N 2.97Å; I478-I481 PolarHBondContact O-N 2.93Å; I478-L482 HydrophobicContact CG2-CD1 3.93Å; I478-L482 HydrophobicContact CG2-CG 4.41Å; I478-L482 WeakPolarHBondContact O-CB 3.42Å; I478-L482 VanDerWaalsContact O-CG 3.22Å; I478-L482 WeakPolarHBondContact O-CG 3.45Å; I478-L482 PolarHBondContact O-N 3.21Å |
| 479 | F | 72 | Confident | 66.4 | Low | 116 Ų | 116 | 102.7 Ų | 102.7 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 177.1 | -167.5 | -96.6 | 0 | 0 | 0 | 112.5 | N475 R476 V477 L482 N483 | N475-F479 VanDerWaalsContact O-CB 3.3Å; N475-F479 WeakPolarHBondContact O-CB 3.42Å; N475-F479 PolarHBondContact O-N 2.94Å; R476-F479 PolarHBondContact O-N 3.1Å; V477-F479 VanDerWaalsContact C-N 3.33Å; V477-F479 PolarHBondContact O-N 2.86Å; F479-L482 PolarHBondContact O-N 3.3Å; F479-N483 VanDerWaalsContact CD1-ND2 3.34Å; F479-N483 WeakPolarHBondContact CD1-ND2 3.45Å; F479-N483 WeakPolarHBondContact CE1-ND2 3.43Å; F479-N483 PolarHBondContact O-N 3.05Å; F479-N483 PolarHBondContact O-ND2 3.03Å |
| 480 | D | 70.4 | Confident | 64.9 | Low | 75 Ų | 75 | 100.5 Ų | 100.5 | 40% | 0.401 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.2 | -36.3 | 176.3 | -77.5 | -16.9 | 0 | 0 | 0 | 112 | R476 V477 I478 N483 R484 | R476-D480 WeakPolarHBondContact O-CB 3.44Å; R476-D480 PolarHBondContact O-N 3.36Å; V477-D480 PolarHBondContact O-N 3.06Å; I478-D480 PolarHBondContact O-N 2.97Å; D480-N483 PolarHBondContact O-N 2.94Å; D480-R484 WeakPolarHBondContact O-CB 3.4Å; D480-R484 PolarHBondContact O-N 2.93Å |
| 481 | I | 60.4 | Low | 63.5 | Low | 84 Ų | 84 | 101.9 Ų | 101.9 | 43% | 0.431 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 173.7 | -71.7 | 166.2 | 0 | 0 | 0 | 110.2 | V477 I478 N483 R484 N485 | V477-I481 HydrophobicContact CG1-CD1 3.61Å; V477-I481 HydrophobicContact CG1-CG1 4.25Å; V477-I481 WeakPolarHBondContact O-CB 3.35Å; V477-I481 WeakPolarHBondContact O-CD1 3.49Å; V477-I481 WeakPolarHBondContact O-CG1 3.19Å; V477-I481 PolarHBondContact O-N 3.23Å; I478-I481 PolarHBondContact O-N 2.93Å; I481-N483 VanDerWaalsContact C-N 3.34Å; I481-N483 PolarHBondContact O-N 3.36Å; I481-R484 PolarHBondContact O-N 3.48Å; I481-N485 WeakPolarHBondContact CG2-ND2 3.32Å; I481-N485 WeakPolarHBondContact O-CB 3.46Å; I481-N485 VanDerWaalsContact O-CG 3.25Å; I481-N485 PolarHBondContact O-N 3.46Å; I481-N485 PolarHBondContact O-ND2 3.05Å |
| 482 | L | 50.4 | Low | 62 | Low | 56 Ų | 56 | 100.8 Ų | 100.8 | 29% | 0.293 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 176 | -71.8 | 169.3 | 0 | 0 | 0 | 110.9 | I478 F479 I492 | I478-L482 HydrophobicContact CG2-CD1 3.93Å; I478-L482 HydrophobicContact CG2-CG 4.41Å; I478-L482 WeakPolarHBondContact O-CB 3.42Å; I478-L482 VanDerWaalsContact O-CG 3.22Å; I478-L482 WeakPolarHBondContact O-CG 3.45Å; I478-L482 PolarHBondContact O-N 3.21Å; F479-L482 PolarHBondContact O-N 3.3Å; L482-I492 HydrophobicContact CD2-CD1 3.62Å |
| 483 | N | 62.9 | Low | 60.3 | Low | 99 Ų | 99 | 100.5 Ų | 100.5 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 175.7 | -75.6 | -31 | 0 | 0 | 0 | 113.3 | F479 D480 I481 N485 G486 | F479-N483 VanDerWaalsContact CD1-ND2 3.34Å; F479-N483 WeakPolarHBondContact CD1-ND2 3.45Å; F479-N483 WeakPolarHBondContact CE1-ND2 3.43Å; F479-N483 PolarHBondContact O-N 3.05Å; F479-N483 PolarHBondContact O-ND2 3.03Å; D480-N483 PolarHBondContact O-N 2.94Å; I481-N483 VanDerWaalsContact C-N 3.34Å; I481-N483 PolarHBondContact O-N 3.36Å; N483-N485 VanDerWaalsContact C-N 3.32Å; N483-N485 PolarHBondContact O-N 2.9Å; N483-G486 PolarHBondContact O-N 2.78Å |
| 484 | R | 60.1 | Low | 58.6 | Low | 228 Ų | 228 | 99.7 Ų | 99.7 | 86% | 0.86 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -32.4 | 178.2 | -109.5 | 178.3 | 75 | 171.3 | 1.7 | 112.9 | D480 I481 G486 | D480-R484 WeakPolarHBondContact O-CB 3.4Å; D480-R484 PolarHBondContact O-N 2.93Å; I481-R484 PolarHBondContact O-N 3.48Å; R484-G486 PolarHBondContact O-N 3.05Å |
| 485 | N | 54 | Low | 57.5 | Low | 110 Ų | 110 | 95.8 Ų | 95.8 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 2.5 | -178.8 | -70.1 | -19.1 | 0 | 0 | 0 | 112.8 | I481 N483 V487 | I481-N485 WeakPolarHBondContact CG2-ND2 3.32Å; I481-N485 WeakPolarHBondContact O-CB 3.46Å; I481-N485 VanDerWaalsContact O-CG 3.25Å; I481-N485 PolarHBondContact O-N 3.46Å; I481-N485 PolarHBondContact O-ND2 3.05Å; N483-N485 VanDerWaalsContact C-N 3.32Å; N483-N485 PolarHBondContact O-N 2.9Å; N485-V487 HydrophobicContact CB-CG2 4.03Å; N485-V487 PolarHBondContact O-N 2.97Å |
| 486 | G | 48.7 | Very low | 56 | Low | 60 Ų | 60 | 96.1 Ų | 96.1 | 62% | 0.619 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 16.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N483 R484 E488 | N483-G486 PolarHBondContact O-N 2.78Å; R484-G486 PolarHBondContact O-N 3.05Å; G486-E488 VanDerWaalsContact C-N 3.32Å; G486-E488 PolarHBondContact O-N 3.08Å |
| 487 | V | 46.4 | Very low | 54.3 | Low | 53 Ų | 53 | 90.6 Ų | 90.6 | 32% | 0.321 | 49% | 0.493 | S | S | . | . | trans | -81.8 | 90.4 | 176.9 | -173.6 | 0 | 0 | 0 | 0 | 105.3 | N485 L489 Q491 I492 | N485-V487 HydrophobicContact CB-CG2 4.03Å; N485-V487 PolarHBondContact O-N 2.97Å; V487-L489 PolarHBondContact O-N 3.3Å; V487-Q491 HydrophobicContact CG1-CB 4.44Å; V487-I492 HydrophobicContact CB-CD1 4.45Å; V487-I492 HydrophobicContact CG1-CD1 3.64Å; V487-I492 HydrophobicContact CG1-CG1 3.63Å | ||
| 488 | E | 51.7 | Low | 52.5 | Low | 135 Ų | 135 | 94.3 Ų | 94.3 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | trans | -49.8 | 132.7 | 172.3 | -72.9 | -173.8 | 168.1 | 0 | 0 | 108.5 | G486 S490 Q491 | G486-E488 VanDerWaalsContact C-N 3.32Å; G486-E488 PolarHBondContact O-N 3.08Å; E488-S490 WeakPolarHBondContact CB-OG 3.38Å; E488-S490 PolarHBondContact O-N 3.21Å; E488-S490 PolarHBondContact OE2-OG 3.3Å; E488-Q491 PolarHBondContact O-N 3.07Å | ||
| 489 | L | 47.3 | Very low | 51.3 | Low | 111 Ų | 111 | 96.4 Ų | 96.4 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -48.7 | -28.4 | 175.4 | -132.4 | 94.8 | 0 | 0 | 0 | 111.1 | V487 Q491 I492 V493 | V487-L489 PolarHBondContact O-N 3.3Å; L489-Q491 VanDerWaalsContact C-N 3.31Å; L489-Q491 PolarHBondContact O-N 3.48Å; L489-I492 PolarHBondContact O-N 3.28Å; L489-V493 HydrophobicContact CD2-CG2 4.45Å; L489-V493 VanDerWaalsContact O-CB 3.22Å; L489-V493 WeakPolarHBondContact O-CB 3.37Å; L489-V493 WeakPolarHBondContact O-CG2 3.43Å; L489-V493 PolarHBondContact O-N 3.24Å |
| 490 | S | 51.4 | Low | 49.6 | Very low | 57 Ų | 57 | 96.8 Ų | 96.8 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -55.3 | -37 | 173.3 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | E488 S494 | E488-S490 WeakPolarHBondContact CB-OG 3.38Å; E488-S490 PolarHBondContact O-N 3.21Å; E488-S490 PolarHBondContact OE2-OG 3.3Å; S490-S494 WeakPolarHBondContact O-CB 3.36Å; S490-S494 PolarHBondContact O-N 2.9Å; S490-S494 PolarHBondContact O-OG 3.42Å |
| 491 | Q | 51.8 | Low | 47.9 | Very low | 131 Ų | 131 | 99.6 Ų | 99.6 | 61% | 0.612 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -78.7 | -39 | 179.5 | -78.4 | -171.7 | 0.9 | 0 | 0 | 112.4 | V487 E488 L489 S494 A495 | V487-Q491 HydrophobicContact CG1-CB 4.44Å; E488-Q491 PolarHBondContact O-N 3.07Å; L489-Q491 VanDerWaalsContact C-N 3.31Å; L489-Q491 PolarHBondContact O-N 3.48Å; Q491-S494 PolarHBondContact O-N 3.35Å; Q491-A495 WeakPolarHBondContact O-CB 3.48Å; Q491-A495 PolarHBondContact O-N 3.5Å |
| 492 | I | 49.5 | Very low | 46.5 | Very low | 64 Ų | 64 | 104.9 Ų | 104.9 | 33% | 0.328 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.3 | -41.1 | 174.5 | -67.7 | 167.2 | 0 | 0 | 0 | 110.1 | L482 V487 L489 S494 A495 L496 | L482-I492 HydrophobicContact CD2-CD1 3.62Å; V487-I492 HydrophobicContact CB-CD1 4.45Å; V487-I492 HydrophobicContact CG1-CD1 3.64Å; V487-I492 HydrophobicContact CG1-CG1 3.63Å; L489-I492 PolarHBondContact O-N 3.28Å; I492-S494 VanDerWaalsContact C-N 3.3Å; I492-S494 PolarHBondContact O-N 3.01Å; I492-A495 PolarHBondContact O-N 2.73Å; I492-L496 HydrophobicContact CG2-CD1 3.91Å; I492-L496 HydrophobicContact CG2-CG 4.41Å; I492-L496 WeakPolarHBondContact O-CB 3.44Å; I492-L496 WeakPolarHBondContact O-CG 3.39Å; I492-L496 PolarHBondContact O-N 3.12Å |
| 493 | V | 49.4 | Very low | 45.6 | Very low | 83 Ų | 83 | 107.3 Ų | 107.3 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.1 | -35.7 | 173.7 | 173 | 0 | 0 | 0 | 0 | 110.6 | L489 S497 | L489-V493 HydrophobicContact CD2-CG2 4.45Å; L489-V493 VanDerWaalsContact O-CB 3.22Å; L489-V493 WeakPolarHBondContact O-CB 3.37Å; L489-V493 WeakPolarHBondContact O-CG2 3.43Å; L489-V493 PolarHBondContact O-N 3.24Å; V493-S497 WeakPolarHBondContact O-CA 3.48Å; V493-S497 WeakPolarHBondContact O-CB 3.37Å; V493-S497 PolarHBondContact O-N 3.09Å |
| 494 | S | 49.2 | Very low | 44 | Very low | 64 Ų | 64 | 111.6 Ų | 111.6 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.4 | -37.6 | 172.1 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | S490 Q491 I492 S497 Q498 | S490-S494 WeakPolarHBondContact O-CB 3.36Å; S490-S494 PolarHBondContact O-N 2.9Å; S490-S494 PolarHBondContact O-OG 3.42Å; Q491-S494 PolarHBondContact O-N 3.35Å; I492-S494 VanDerWaalsContact C-N 3.3Å; I492-S494 PolarHBondContact O-N 3.01Å; S494-S497 PolarHBondContact O-N 2.92Å; S494-Q498 WeakPolarHBondContact O-CB 3.47Å; S494-Q498 WeakPolarHBondContact O-CG 3.41Å; S494-Q498 PolarHBondContact O-N 3.32Å |
| 495 | A | 45.1 | Very low | 42.6 | Very low | 57 Ų | 57 | 105.5 Ų | 105.5 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.3 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q491 I492 Q498 L499 | Q491-A495 WeakPolarHBondContact O-CB 3.48Å; Q491-A495 PolarHBondContact O-N 3.5Å; I492-A495 PolarHBondContact O-N 2.73Å; A495-Q498 PolarHBondContact O-N 3.41Å; A495-L499 PolarHBondContact O-N 3.43Å |
| 496 | L | 40.6 | Very low | 42 | Very low | 98 Ų | 98 | 107.6 Ų | 107.6 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.5 | -37.8 | 173 | -72.2 | 170.2 | 0 | 0 | 0 | 111.5 | I492 L499 I500 | I492-L496 HydrophobicContact CG2-CD1 3.91Å; I492-L496 HydrophobicContact CG2-CG 4.41Å; I492-L496 WeakPolarHBondContact O-CB 3.44Å; I492-L496 WeakPolarHBondContact O-CG 3.39Å; I492-L496 PolarHBondContact O-N 3.12Å; L496-L499 PolarHBondContact O-N 2.93Å; L496-I500 VanDerWaalsContact O-CG1 3.31Å; L496-I500 WeakPolarHBondContact O-CG1 2.97Å; L496-I500 PolarHBondContact O-N 3.2Å |
| 497 | S | 42.2 | Very low | 41.4 | Very low | 61 Ų | 61 | 114 Ų | 114 | 43% | 0.427 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.6 | -34.4 | 174.9 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | V493 S494 I500 L501 | V493-S497 WeakPolarHBondContact O-CA 3.48Å; V493-S497 WeakPolarHBondContact O-CB 3.37Å; V493-S497 PolarHBondContact O-N 3.09Å; S494-S497 PolarHBondContact O-N 2.92Å; S497-I500 PolarHBondContact O-N 3.04Å; S497-L501 WeakPolarHBondContact O-CB 3.48Å; S497-L501 PolarHBondContact O-N 2.83Å |
| 498 | Q | 38 | Very low | 41 | Very low | 146 Ų | 146 | 117.9 Ų | 117.9 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.2 | -34.2 | 173.4 | -80.6 | -178.2 | 21.1 | 0 | 0 | 111.7 | S494 A495 I500 L501 | S494-Q498 WeakPolarHBondContact O-CB 3.47Å; S494-Q498 WeakPolarHBondContact O-CG 3.41Å; S494-Q498 PolarHBondContact O-N 3.32Å; A495-Q498 PolarHBondContact O-N 3.41Å; Q498-I500 VanDerWaalsContact C-N 3.3Å; Q498-I500 PolarHBondContact O-N 2.77Å; Q498-L501 PolarHBondContact O-N 3.34Å |
| 499 | L | 36.7 | Very low | 41 | Very low | 136 Ų | 136 | 115.6 Ų | 115.6 | 71% | 0.712 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.5 | -33.3 | 174.5 | -153.6 | 77.9 | 0 | 0 | 0 | 111.8 | A495 L496 | A495-L499 PolarHBondContact O-N 3.43Å; L496-L499 PolarHBondContact O-N 2.93Å |
| 500 | I | 35.7 | Very low | 41.1 | Very low | 125 Ų | 125 | 117.3 Ų | 117.3 | 64% | 0.641 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -82.5 | -24 | 179.2 | -65.7 | 167.4 | 0 | 0 | 0 | 112.3 | L496 S497 Q498 F502 S503 | L496-I500 VanDerWaalsContact O-CG1 3.31Å; L496-I500 WeakPolarHBondContact O-CG1 2.97Å; L496-I500 PolarHBondContact O-N 3.2Å; S497-I500 PolarHBondContact O-N 3.04Å; Q498-I500 VanDerWaalsContact C-N 3.3Å; Q498-I500 PolarHBondContact O-N 2.77Å; I500-F502 PolarHBondContact O-N 3.39Å; I500-S503 PolarHBondContact O-N 3.48Å |
| 501 | L | 35.1 | Very low | 41.5 | Very low | 134 Ų | 134 | 120 Ų | 120 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -4.5 | 178.5 | -105.4 | 149.8 | 0 | 0 | 0 | 114.8 | S497 Q498 | S497-L501 WeakPolarHBondContact O-CB 3.48Å; S497-L501 PolarHBondContact O-N 2.83Å; Q498-L501 PolarHBondContact O-N 3.34Å |
| 502 | F | 31.3 | Very low | 42.2 | Very low | 195 Ų | 195 | 117.1 Ų | 117.1 | 86% | 0.855 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 1 | 173 | -112.4 | -87.7 | 0 | 0 | 0 | 115 | I500 | I500-F502 PolarHBondContact O-N 3.39Š|
| 503 | S | 31.3 | Very low | 42.7 | Very low | 107 Ų | 107 | 118.1 Ų | 118.1 | 75% | 0.748 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -117.3 | 97.5 | 171.5 | -71.6 | 0 | 0 | 0 | 0 | 110.5 | I500 | I500-S503 PolarHBondContact O-N 3.48Š|
| 504 | Q | 29.6 | Very low | 43.7 | Very low | 189 Ų | 189 | 118.4 Ų | 118.4 | 88% | 0.883 | 64% | 0.639 | S | S | * | * | trans | -75.7 | 136.4 | 179 | -157.9 | 157.2 | 3.2 | 0 | 0 | 110.3 | ||||
| 505 | S | 30.4 | Very low | 44.9 | Very low | 99 Ų | 99 | 120 Ų | 120 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 83 | 87.2 | 171 | 76.4 | 0 | 0 | 0 | 0 | 118.6 | ||
| 506 | N | 39.9 | Very low | 46.5 | Very low | 154 Ų | 154 | 123 Ų | 123 | 82% | 0.824 | 64% | 0.641 | S | S | * | * | 164.4 | 115.5 | 112.9 | -80.5 | -28 | 0 | 0 | 0 | 108.3 | E508 | N506-E508 PolarHBondContact O-N 2.94Š| |||
| 507 | H | 36.6 | Very low | 48 | Very low | 194 Ų | 194 | 123.7 Ų | 123.7 | 90% | 0.898 | 65% | 0.645 | S | S | * | * | trans | -66.8 | 84.3 | -174.3 | -87.7 | -85.9 | 0 | 0 | 0 | 112.3 | ||||
| 508 | E | 38.7 | Very low | 49.7 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | trans | -90.5 | 104.8 | 154.8 | -98.9 | 175.1 | 157.5 | 0 | 0 | 107.7 | N506 K516 | N506-E508 PolarHBondContact O-N 2.94Å; E508-K516 IonicContact OE1-NZ 2.89Å | ||
| 509 | T | 51.9 | Low | 51.7 | Low | 86 Ų | 86 | 125.7 Ų | 125.7 | 53% | 0.528 | 64% | 0.644 | S | S | . | * | trans | -66.2 | 144.5 | -179.8 | 54.3 | 0 | 0 | 0 | 0 | 110.7 | N511 D512 | T509-N511 PolarHBondContact O-N 3.38Å; T509-D512 PolarHBondContact O-N 2.82Å | ||
| 510 | N | 48.7 | Very low | 53.7 | Low | 148 Ų | 148 | 124 Ų | 124 | 79% | 0.791 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -46.2 | -24.6 | 175.2 | -81.1 | -22.3 | 0 | 0 | 0 | 114.9 | D512 L514 | N510-D512 VanDerWaalsContact C-N 3.34Å; N510-L514 PolarHBondContact O-N 3.48Å; N510-L514 VanDerWaalsContact O-N 3.15Å |
| 511 | N | 59.8 | Low | 56 | Low | 113 Ų | 113 | 124.7 Ų | 124.7 | 60% | 0.604 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.6 | -33.8 | 176.9 | -127.1 | 18.7 | 0 | 0 | 0 | 112.9 | T509 L514 E515 | T509-N511 PolarHBondContact O-N 3.38Å; N511-L514 PolarHBondContact O-N 3.35Å; N511-E515 PolarHBondContact O-N 3.02Å |
| 512 | D | 65.8 | Low | 58.3 | Low | 70 Ų | 70 | 123.3 Ų | 123.3 | 37% | 0.374 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73 | -38.6 | -179.3 | -156.6 | 60.4 | 0 | 0 | 0 | 111.1 | T509 N510 L514 E515 K516 | T509-D512 PolarHBondContact O-N 2.82Å; N510-D512 VanDerWaalsContact C-N 3.34Å; D512-L514 VanDerWaalsContact C-N 3.34Å; D512-L514 PolarHBondContact O-N 2.97Å; D512-E515 PolarHBondContact O-N 3.42Å; D512-K516 WeakPolarHBondContact O-CG 3.33Å; D512-K516 PolarHBondContact O-N 3.26Å; D512-K516 VanDerWaalsContact OD2-CE 3.29Å; D512-K516 WeakPolarHBondContact OD2-CE 3.26Å; D512-K516 IonicContact OD2-NZ 2.59Å; D512-K516 PolarHBondContact OD2-NZ 2.95Å |
| 513 | V | 61.9 | Low | 60.6 | Low | 85 Ų | 85 | 118.2 Ų | 118.2 | 52% | 0.515 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.9 | -42.1 | 172.5 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | K516 L517 | V513-K516 PolarHBondContact O-N 3.16Å; V513-L517 WeakPolarHBondContact O-CB 3.36Å; V513-L517 PolarHBondContact O-N 3.42Å |
| 514 | L | 70.1 | Confident | 62.8 | Low | 90 Ų | 90 | 118.3 Ų | 118.3 | 47% | 0.471 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.6 | -39.4 | 179.3 | -172.9 | 64.9 | 0 | 0 | 0 | 112.3 | N510 N511 D512 L517 K518 | N510-L514 PolarHBondContact O-N 3.48Å; N510-L514 VanDerWaalsContact O-N 3.15Å; N511-L514 PolarHBondContact O-N 3.35Å; D512-L514 VanDerWaalsContact C-N 3.34Å; D512-L514 PolarHBondContact O-N 2.97Å; L514-L517 PolarHBondContact O-N 3.41Å; L514-K518 PolarHBondContact O-N 3.39Å |
| 515 | E | 74.5 | Confident | 65 | Low | 96 Ų | 96 | 114.8 Ų | 114.8 | 45% | 0.449 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.7 | -39.4 | 175.6 | -76.5 | -58.8 | 133.4 | 0 | 0 | 112 | N511 D512 L517 K518 F519 | N511-E515 PolarHBondContact O-N 3.02Å; D512-E515 PolarHBondContact O-N 3.42Å; E515-L517 VanDerWaalsContact C-N 3.28Å; E515-L517 PolarHBondContact O-N 2.96Å; E515-K518 PolarHBondContact O-N 3.36Å; E515-K518 IonicContact OE1-NZ 2.73Å; E515-K518 PolarHBondContact OE1-NZ 2.93Å; E515-F519 WeakPolarHBondContact O-CB 3.5Å; E515-F519 PolarHBondContact O-N 3.19Å |
| 516 | K | 78.1 | Confident | 67 | Low | 120 Ų | 120 | 113.2 Ų | 113.2 | 52% | 0.522 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.7 | -38.2 | 171.6 | -71.9 | -179.4 | -172.4 | 177.5 | 0 | 112 | E508 D512 V513 F519 L520 | E508-K516 IonicContact OE1-NZ 2.89Å; D512-K516 WeakPolarHBondContact O-CG 3.33Å; D512-K516 PolarHBondContact O-N 3.26Å; D512-K516 VanDerWaalsContact OD2-CE 3.29Å; D512-K516 WeakPolarHBondContact OD2-CE 3.26Å; D512-K516 IonicContact OD2-NZ 2.59Å; D512-K516 PolarHBondContact OD2-NZ 2.95Å; V513-K516 PolarHBondContact O-N 3.16Å; K516-F519 PolarHBondContact O-N 3.49Å; K516-L520 PolarHBondContact O-N 2.95Å |
| 517 | L | 72.3 | Confident | 67.7 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69 | -40.3 | 177.5 | -148.6 | 96.1 | 0 | 0 | 0 | 112.3 | V513 L514 E515 F519 L520 K521 | V513-L517 WeakPolarHBondContact O-CB 3.36Å; V513-L517 PolarHBondContact O-N 3.42Å; L514-L517 PolarHBondContact O-N 3.41Å; E515-L517 VanDerWaalsContact C-N 3.28Å; E515-L517 PolarHBondContact O-N 2.96Å; L517-F519 VanDerWaalsContact C-N 3.35Å; L517-L520 PolarHBondContact O-N 2.9Å; L517-K521 PolarHBondContact O-N 3.24Å |
| 518 | K | 78.4 | Confident | 68.3 | Low | 105 Ų | 105 | 108.9 Ų | 108.9 | 46% | 0.457 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 171.8 | -81.7 | -177.1 | -170.9 | 162.5 | 0 | 111.7 | L514 E515 L520 K521 N522 | L514-K518 PolarHBondContact O-N 3.39Å; E515-K518 PolarHBondContact O-N 3.36Å; E515-K518 IonicContact OE1-NZ 2.73Å; E515-K518 PolarHBondContact OE1-NZ 2.93Å; K518-L520 VanDerWaalsContact C-N 3.31Å; K518-L520 PolarHBondContact O-N 3.41Å; K518-K521 PolarHBondContact O-N 3.4Å; K518-N522 PolarHBondContact O-N 2.96Å |
| 519 | F | 79.1 | Confident | 69.3 | Low | 145 Ų | 145 | 107.8 Ų | 107.8 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.3 | -43.2 | 178.1 | -163.5 | -91.3 | 0 | 0 | 0 | 111 | E515 K516 L517 N522 N523 | E515-F519 WeakPolarHBondContact O-CB 3.5Å; E515-F519 PolarHBondContact O-N 3.19Å; K516-F519 PolarHBondContact O-N 3.49Å; L517-F519 VanDerWaalsContact C-N 3.35Å; F519-N522 PolarHBondContact O-N 2.9Å; F519-N523 WeakPolarHBondContact O-CB 3.49Å; F519-N523 PolarHBondContact O-N 2.75Å |
| 520 | L | 78.9 | Confident | 69.1 | Low | 100 Ų | 100 | 107.8 Ų | 107.8 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 175.4 | -174.3 | 66.1 | 0 | 0 | 0 | 112.1 | K516 L517 K518 N522 N523 I524 | K516-L520 PolarHBondContact O-N 2.95Å; L517-L520 PolarHBondContact O-N 2.9Å; K518-L520 VanDerWaalsContact C-N 3.31Å; K518-L520 PolarHBondContact O-N 3.41Å; L520-N522 VanDerWaalsContact C-N 3.35Å; L520-N522 PolarHBondContact O-N 2.62Å; L520-N523 PolarHBondContact O-N 2.97Å; L520-I524 HydrophobicContact CD1-CD1 4.46Å; L520-I524 HydrophobicContact CG-CD1 4.09Å; L520-I524 WeakPolarHBondContact O-CG1 3.3Å; L520-I524 PolarHBondContact O-N 3.3Å |
| 521 | K | 84.7 | Confident | 69 | Low | 139 Ų | 139 | 105.3 Ų | 105.3 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.8 | -45.4 | 176.6 | -176.4 | -175.2 | 174.7 | -175.1 | 0 | 111.8 | L517 K518 N523 I524 Q525 | L517-K521 PolarHBondContact O-N 3.24Å; K518-K521 PolarHBondContact O-N 3.4Å; K521-N523 VanDerWaalsContact C-N 3.33Å; K521-N523 PolarHBondContact O-N 3.35Å; K521-I524 PolarHBondContact O-N 2.95Å; K521-Q525 WeakPolarHBondContact O-CB 3.44Å; K521-Q525 PolarHBondContact O-N 2.89Å |
| 522 | N | 81.5 | Confident | 68.5 | Low | 105 Ų | 105 | 103.1 Ų | 103.1 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.3 | -37 | 178.2 | -73.6 | -11.7 | 0 | 0 | 0 | 111.9 | K518 F519 L520 Q525 S526 | K518-N522 PolarHBondContact O-N 2.96Å; F519-N522 PolarHBondContact O-N 2.9Å; L520-N522 VanDerWaalsContact C-N 3.35Å; L520-N522 PolarHBondContact O-N 2.62Å; N522-Q525 PolarHBondContact O-N 3.36Å; N522-S526 WeakPolarHBondContact O-CB 3.5Å; N522-S526 PolarHBondContact O-N 3.39Å |
| 523 | N | 81.1 | Confident | 67.8 | Low | 88 Ų | 88 | 107 Ų | 107 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 175.7 | -117 | -21.4 | 0 | 0 | 0 | 111.9 | F519 L520 K521 S526 H527 | F519-N523 WeakPolarHBondContact O-CB 3.49Å; F519-N523 PolarHBondContact O-N 2.75Å; L520-N523 PolarHBondContact O-N 2.97Å; K521-N523 VanDerWaalsContact C-N 3.33Å; K521-N523 PolarHBondContact O-N 3.35Å; N523-S526 PolarHBondContact O-N 2.91Å; N523-H527 WeakPolarHBondContact O-CB 3.1Å; N523-H527 PolarHBondContact O-N 3.42Å |
| 524 | I | 76.8 | Confident | 66.8 | Low | 109 Ų | 109 | 108.5 Ų | 108.5 | 56% | 0.559 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 177.2 | -66.3 | 166.2 | 0 | 0 | 0 | 110.7 | L520 K521 H527 H528 | L520-I524 HydrophobicContact CD1-CD1 4.46Å; L520-I524 HydrophobicContact CG-CD1 4.09Å; L520-I524 WeakPolarHBondContact O-CG1 3.3Å; L520-I524 PolarHBondContact O-N 3.3Å; K521-I524 PolarHBondContact O-N 2.95Å; I524-H527 PolarHBondContact O-N 3.31Å; I524-H528 WeakPolarHBondContact O-CB 3.47Å; I524-H528 PolarHBondContact O-N 2.91Å |
| 525 | Q | 75.8 | Confident | 65.4 | Low | 116 Ų | 116 | 110.4 Ų | 110.4 | 54% | 0.542 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.6 | -42.5 | 179.6 | -171.5 | 161.6 | -8.7 | 0 | 0 | 112 | K521 N522 H527 H528 E529 | K521-Q525 WeakPolarHBondContact O-CB 3.44Å; K521-Q525 PolarHBondContact O-N 2.89Å; N522-Q525 PolarHBondContact O-N 3.36Å; Q525-H527 PolarHBondContact O-N 3.01Å; Q525-H528 PolarHBondContact O-N 3.49Å; Q525-E529 PolarHBondContact O-N 2.84Å |
| 526 | S | 72.2 | Confident | 63.6 | Low | 66 Ų | 66 | 112.5 Ų | 112.5 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.8 | -43.4 | 173.5 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | N522 N523 H528 E529 C530 | N522-S526 WeakPolarHBondContact O-CB 3.5Å; N522-S526 PolarHBondContact O-N 3.39Å; N523-S526 PolarHBondContact O-N 2.91Å; S526-H528 VanDerWaalsContact C-N 3.3Å; S526-H528 PolarHBondContact O-N 2.89Å; S526-E529 PolarHBondContact O-N 3.31Å; S526-C530 PolarHBondContact O-N 2.91Å |
| 527 | H | 54.4 | Low | 61.6 | Low | 131 Ų | 131 | 115 Ų | 115 | 61% | 0.606 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.1 | -33.7 | 179.5 | -144.3 | -56.7 | 0 | 0 | 0 | 112.4 | N523 I524 Q525 I531 | N523-H527 WeakPolarHBondContact O-CB 3.1Å; N523-H527 PolarHBondContact O-N 3.42Å; I524-H527 PolarHBondContact O-N 3.31Å; Q525-H527 PolarHBondContact O-N 3.01Å; H527-I531 WeakPolarHBondContact O-CG1 3.5Å; H527-I531 PolarHBondContact O-N 3.2Å |
| 528 | H | 49.6 | Very low | 59.8 | Low | 125 Ų | 125 | 118.7 Ų | 118.7 | 58% | 0.579 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73 | -34.2 | 175.7 | -166.4 | -82.7 | 0 | 0 | 0 | 112.5 | I524 Q525 S526 I531 T532 | I524-H528 WeakPolarHBondContact O-CB 3.47Å; I524-H528 PolarHBondContact O-N 2.91Å; Q525-H528 PolarHBondContact O-N 3.49Å; S526-H528 VanDerWaalsContact C-N 3.3Å; S526-H528 PolarHBondContact O-N 2.89Å; H528-I531 PolarHBondContact O-N 3.5Å; H528-T532 PolarHBondContact O-N 2.9Å; H528-T532 VanDerWaalsContact O-N 3.15Å; H528-T532 PolarHBondContact O-OG1 3.43Å |
| 529 | E | 60 | Low | 57.4 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 53% | 0.528 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.5 | -35.6 | 173.2 | -124.9 | 178.3 | 164.8 | 0 | 0 | 112.2 | Q525 S526 T532 K533 | Q525-E529 PolarHBondContact O-N 2.84Å; S526-E529 PolarHBondContact O-N 3.31Å; E529-T532 WeakPolarHBondContact CA-OG1 3.43Å; E529-T532 PolarHBondContact O-OG1 3.13Å; E529-K533 PolarHBondContact O-N 2.8Å |
| 530 | C | 47.2 | Very low | 55.2 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 59% | 0.588 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.8 | -37.1 | 173.6 | -102.8 | 0 | 0 | 0 | 0 | 113 | S526 | S526-C530 PolarHBondContact O-N 2.91Å |
| 531 | I | 46.6 | Very low | 52.9 | Low | 95 Ų | 95 | 120.3 Ų | 120.3 | 49% | 0.487 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70 | -42.9 | 178.8 | -66.4 | 165 | 0 | 0 | 0 | 110.3 | H527 H528 K533 N534 | H527-I531 WeakPolarHBondContact O-CG1 3.5Å; H527-I531 PolarHBondContact O-N 3.2Å; H528-I531 PolarHBondContact O-N 3.5Å; I531-K533 PolarHBondContact O-N 3.41Å; I531-N534 PolarHBondContact O-N 3.25Å |
| 532 | T | 50.6 | Low | 50.2 | Low | 68 Ų | 68 | 122.5 Ų | 122.5 | 42% | 0.417 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -72 | -26.1 | -177 | 40.6 | 0 | 0 | 0 | 0 | 114.2 | H528 E529 | H528-T532 PolarHBondContact O-N 2.9Å; H528-T532 VanDerWaalsContact O-N 3.15Å; H528-T532 PolarHBondContact O-OG1 3.43Å; E529-T532 WeakPolarHBondContact CA-OG1 3.43Å; E529-T532 PolarHBondContact O-OG1 3.13Å |
| 533 | K | 49.1 | Very low | 47.7 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 66% | 0.661 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -81.1 | -21.7 | 175.2 | -77.9 | -177.9 | 178.7 | 171.3 | 0 | 114.4 | E529 I531 | E529-K533 PolarHBondContact O-N 2.8Å; I531-K533 PolarHBondContact O-N 3.41Å |
| 534 | N | 41.5 | Very low | 45 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -83 | -24.4 | -176.3 | -146.7 | -10.1 | 0 | 0 | 0 | 113.2 | I531 | I531-N534 PolarHBondContact O-N 3.25Å |
| 535 | D | 40.1 | Very low | 42.8 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 70% | 0.695 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -3.5 | -177.7 | -79.6 | -21.8 | 0 | 0 | 0 | 114.8 | ||
| 536 | I | 38 | Very low | 40.2 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 72% | 0.723 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -12.7 | -177.2 | -63.5 | 175.7 | 0 | 0 | 0 | 113.2 | ||
| 537 | Q | 36.1 | Very low | 38.1 | Very low | 173 Ų | 173 | 129 Ų | 129 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -107.9 | -3 | -172.4 | -95.3 | 177 | -20.1 | 0 | 0 | 117.1 | ||
| 538 | K | 34.3 | Very low | 36.6 | Very low | 190 Ų | 190 | 128.9 Ų | 128.9 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -108 | 12.7 | -175.3 | -87.2 | -174.2 | 177.2 | 178.1 | 0 | 117.4 | ||
| 539 | T | 28.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | -121.9 | 63.4 | 177.1 | 33 | 0 | 0 | 0 | 0 | 112 | ||||
| 540 | V | 31.5 | Very low | 33.8 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -130.5 | 112.7 | 163.1 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 541 | N | 30.7 | Very low | 33 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 63.8 | 84.2 | 152.4 | -56.4 | -14.6 | 0 | 0 | 0 | 119.2 | ||||
| 542 | M | 28 | Very low | 31.9 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | trans | -115.1 | 81 | 145.1 | -80 | -162.3 | -177.4 | 0 | 0 | 109.7 | ||||
| 543 | S | 29 | Very low | 31 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -98.9 | 94.2 | 168.8 | -57.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 544 | L | 25.4 | Very low | 29.7 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -97.7 | 91.3 | 174.3 | -91.4 | 154.5 | 0 | 0 | 0 | 109.5 | ||||
| 545 | S | 29.2 | Very low | 29.1 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 120.6 | 169.3 | 36.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 546 | V | 22.5 | Very low | 28.5 | Very low | 130 Ų | 130 | 143 Ų | 143 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 124.3 | 179.8 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | ||
| 547 | P | 28.8 | Very low | 28.1 | Very low | 112 Ų | 112 | 144 Ų | 144 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 117.5 | 177.9 | 8.4 | 6.4 | 0 | 0 | 0 | 111.5 | S549 | P547-S549 PolarHBondContact O-N 2.99Š|
| 548 | V | 22.8 | Very low | 27.9 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 102.3 | 167.7 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 549 | S | 28.2 | Very low | 27.6 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -106.6 | 95.1 | 169.9 | -68.8 | 0 | 0 | 0 | 0 | 110.5 | P547 T551 | P547-S549 PolarHBondContact O-N 2.99Å; S549-T551 PolarHBondContact O-N 2.89Å | ||
| 550 | N | 22.6 | Very low | 27.8 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -71.6 | 103.6 | 164.4 | -84.4 | -20.2 | 0 | 0 | 0 | 109.4 | ||||
| 551 | T | 30.7 | Very low | 27.9 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -128.8 | 104.4 | 160.9 | 33.1 | 0 | 0 | 0 | 0 | 110.6 | S549 | S549-T551 PolarHBondContact O-N 2.89Š| ||
| 552 | R | 22.5 | Very low | 27.9 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | -77.6 | 110.5 | 174.2 | -176.2 | -176 | -154.6 | -121 | 3.8 | 108.4 | ||||
| 553 | L | 31 | Very low | 28.2 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -125 | 123.7 | 161.1 | -74.9 | 175.2 | 0 | 0 | 0 | 109.1 | ||||
| 554 | S | 23 | Very low | 28.5 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | -106.7 | 126.8 | 179.2 | -53.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 555 | S | 28.3 | Very low | 28.9 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 173.7 | 101.4 | 150 | 56.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 556 | E | 27 | Very low | 29.2 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | 81.4 | 83.3 | 87.4 | -167.2 | 167.8 | -145.9 | 0 | 0 | 112.6 | |||||
| 557 | I | 30.5 | Very low | 29.8 | Very low | 163 Ų | 163 | 140 Ų | 140 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -143 | 105.8 | 149.9 | -59.1 | -176.2 | 0 | 0 | 0 | 108.8 | ||||
| 558 | S | 31.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 39.9 | 105.1 | 146.7 | -58.2 | 0 | 0 | 0 | 0 | 121.4 | S560 | S558-S560 PolarHBondContact O-N 2.85Š| ||
| 559 | D | 27.1 | Very low | 30.3 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -28.5 | 110 | 143.4 | -111.9 | -23.9 | 0 | 0 | 0 | 112.8 | ||||
| 560 | S | 33.1 | Very low | 30.6 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -122.8 | 104.3 | 155.3 | -71.5 | 0 | 0 | 0 | 0 | 106.3 | S558 E562 | S558-S560 PolarHBondContact O-N 2.85Å; S560-E562 PolarHBondContact O-N 3.27Å; S560-E562 VanDerWaalsContact O-N 3.17Å | ||
| 561 | T | 33.9 | Very low | 31.4 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -40.8 | 112.9 | 176.5 | 46 | 0 | 0 | 0 | 0 | 111.6 | V563 | T561-V563 PolarHBondContact O-N 2.83Å; T561-V563 VanDerWaalsContact O-N 3.12Å | ||
| 562 | E | 29.4 | Very low | 31.7 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -62.9 | 104 | 163.4 | -169 | 172 | -170.8 | 0 | 0 | 107.3 | S560 E564 | S560-E562 PolarHBondContact O-N 3.27Å; S560-E562 VanDerWaalsContact O-N 3.17Å; E562-E564 PolarHBondContact O-N 3.3Å | ||
| 563 | V | 36.3 | Very low | 32 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | trans | -86 | 102 | 173.9 | 176.8 | 0 | 0 | 0 | 0 | 106.5 | T561 L565 | T561-V563 PolarHBondContact O-N 2.83Å; T561-V563 VanDerWaalsContact O-N 3.12Å; V563-L565 HydrophobicContact CG1-CG 4.34Å; V563-L565 PolarHBondContact O-N 2.88Å | ||
| 564 | E | 35.3 | Very low | 32.2 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -57.4 | 97 | 168.9 | -161.8 | 173 | -156.2 | 0 | 0 | 108.8 | E562 D566 | E562-E564 PolarHBondContact O-N 3.3Å; E564-D566 VanDerWaalsContact C-N 3.29Å; E564-D566 PolarHBondContact O-N 3.48Å | ||
| 565 | L | 31.8 | Very low | 32.6 | Very low | 154 Ų | 154 | 151.8 Ų | 151.8 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -87.5 | 74 | 173.4 | -80.1 | 170.8 | 0 | 0 | 0 | 109.1 | V563 A567 | V563-L565 HydrophobicContact CG1-CG 4.34Å; V563-L565 PolarHBondContact O-N 2.88Å; L565-A567 PolarHBondContact O-N 3.08Å | ||
| 566 | D | 35.8 | Very low | 32.7 | Very low | 151 Ų | 151 | 154.9 Ų | 154.9 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | trans | -81.2 | 87.9 | 165.6 | -165.9 | 24.7 | 0 | 0 | 0 | 108.7 | E564 | E564-D566 VanDerWaalsContact C-N 3.29Å; E564-D566 PolarHBondContact O-N 3.48Å | ||
| 567 | A | 35.4 | Very low | 32.8 | Very low | 73 Ų | 73 | 151.6 Ų | 151.6 | 60% | 0.603 | 80% | 0.797 | S | S | * | * | trans | -158.8 | 62.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L565 | L565-A567 PolarHBondContact O-N 3.08Š| ||
| 568 | W | 30.4 | Very low | 32.6 | Very low | 250 Ų | 250 | 149.4 Ų | 149.4 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -104.1 | 75.4 | 149.7 | -71.6 | 73.5 | 0 | 0 | 0 | 106.4 | D570 | W568-D570 PolarHBondContact O-N 3.31Š| ||
| 569 | Q | 31.6 | Very low | 32.4 | Very low | 168 Ų | 168 | 150.5 Ų | 150.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -69.4 | 121.8 | 165.9 | -81.3 | -175.7 | -6.4 | 0 | 0 | 107.7 | D571 | Q569-D571 PolarHBondContact O-N 3.26Š| ||
| 570 | D | 35.8 | Very low | 32.3 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -59.2 | 97.3 | 166.4 | -76.3 | -42.6 | 0 | 0 | 0 | 109 | W568 D572 | W568-D570 PolarHBondContact O-N 3.31Å; D570-D572 PolarHBondContact O-N 3.19Å | ||
| 571 | D | 38.7 | Very low | 32.3 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -69.4 | 97.2 | 171.8 | -84.2 | -36.5 | 0 | 0 | 0 | 109.8 | Q569 F573 | Q569-D571 PolarHBondContact O-N 3.26Å; D571-F573 PolarHBondContact O-N 2.87Å | ||
| 572 | D | 37.2 | Very low | 31.9 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 23.1 | 85.3 | 142.8 | -68.6 | -34 | 0 | 0 | 0 | 117.1 | D570 P574 | D570-D572 PolarHBondContact O-N 3.19Å; D572-P574 WeakPolarHBondContact O-CD 3.43Å | ||
| 573 | F | 28.7 | Very low | 31.9 | Very low | 201 Ų | 201 | 150.8 Ų | 150.8 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -69.4 | 121.3 | 158.4 | -105.6 | -92.2 | 0 | 0 | 0 | 109.6 | D571 E575 | D571-F573 PolarHBondContact O-N 2.87Å; F573-E575 PolarHBondContact O-N 2.84Å; F573-E575 VanDerWaalsContact O-N 3.1Å | ||
| 574 | P | 35.6 | Very low | 31.6 | Very low | 116 Ų | 116 | 151.7 Ų | 151.7 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -73.4 | 107.9 | -174.4 | -11.6 | 26.3 | 0 | 0 | 0 | 111.6 | D572 L576 | D572-P574 WeakPolarHBondContact O-CD 3.43Å; P574-L576 PolarHBondContact O-N 3.3Å; P574-L576 VanDerWaalsContact O-N 3.16Å | ||
| 575 | E | 30.4 | Very low | 31.1 | Very low | 189 Ų | 189 | 151.5 Ų | 151.5 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -69.8 | 101.7 | 164.9 | -69 | -172 | 163.4 | 0 | 0 | 110 | F573 N577 | F573-E575 PolarHBondContact O-N 2.84Å; F573-E575 VanDerWaalsContact O-N 3.1Å; E575-N577 PolarHBondContact O-N 2.93Å; E575-N577 VanDerWaalsContact O-N 3.13Å | ||
| 576 | L | 30.5 | Very low | 30.8 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -79.6 | 94.2 | 166.3 | -77 | 174.6 | 0 | 0 | 0 | 109.9 | P574 | P574-L576 PolarHBondContact O-N 3.3Å; P574-L576 VanDerWaalsContact O-N 3.16Å | ||
| 577 | N | 29.2 | Very low | 30.3 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | -59.6 | 124.5 | 172 | -165.9 | -2.8 | 0 | 0 | 0 | 111.8 | E575 N579 | E575-N577 PolarHBondContact O-N 2.93Å; E575-N577 VanDerWaalsContact O-N 3.13Å; N577-N579 PolarHBondContact ND2-ND2 3.02Å; N577-N579 PolarHBondContact O-N 3.11Å | ||
| 578 | S | 27.5 | Very low | 29.8 | Very low | 117 Ų | 117 | 150.6 Ų | 150.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -75 | 82.5 | 173.4 | 44.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 579 | N | 26.9 | Very low | 29.7 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 68% | 0.684 | 81% | 0.806 | S | S | * | * | trans | -97.4 | 119.3 | 172.4 | -78.5 | -46.7 | 0 | 0 | 0 | 112.2 | N577 | N577-N579 PolarHBondContact ND2-ND2 3.02Å; N577-N579 PolarHBondContact O-N 3.11Å | ||
| 580 | A | 24 | Very low | 29.3 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -52.1 | 137 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 581 | S | 33.4 | Very low | 29 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -149.8 | 115.1 | 159.2 | -79.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 582 | E | 26.7 | Very low | 28.5 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | 63.7 | 72.2 | 141.2 | -60.3 | -174.6 | 155.6 | 0 | 0 | 118.8 | T584 | E582-T584 PolarHBondContact O-N 3.28Š| ||
| 583 | E | 27.9 | Very low | 28.1 | Very low | 204 Ų | 204 | 145 Ų | 145 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -68.6 | 109.4 | 153.2 | -71.4 | 179.8 | 153.5 | 0 | 0 | 110.4 | ||||
| 584 | T | 30.9 | Very low | 28.1 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -127.4 | 109.1 | 169.9 | 29.3 | 0 | 0 | 0 | 0 | 111.7 | E582 | E582-T584 PolarHBondContact O-N 3.28Š| ||
| 585 | K | 23.8 | Very low | 27.7 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | 71.2 | 103.1 | 125.2 | -159.7 | 175.2 | -175 | 178.2 | 0 | 119.1 | |||||
| 586 | C | 25.7 | Very low | 27.6 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 156 | 90 | 130.9 | -81.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 587 | Q | 25.4 | Very low | 27.4 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | 41.4 | 115.8 | 84.2 | -67.3 | 171.5 | -51.8 | 0 | 0 | 111.4 | |||||
| 588 | G | 25.9 | Very low | 27.2 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | cis | 137.9 | 109.8 | 15.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 589 | E | 28.3 | Very low | 27.1 | Very low | 203 Ų | 203 | 139.4 Ų | 139.4 | 95% | 0.949 | 78% | 0.778 | S | S | * | * | trans | -165 | 120.6 | 160.7 | -115 | 167.9 | -166.7 | 0 | 0 | 110.7 | ||||
| 590 | L | 23.3 | Very low | 27.2 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 148.8 | 166 | -123.7 | 99.4 | 0 | 0 | 0 | 109.3 | ||||
| 591 | L | 29.8 | Very low | 27.4 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 161.5 | 112.4 | 129.1 | -85.1 | 164.5 | 0 | 0 | 0 | 112.4 | |||||
| 592 | T | 27.1 | Very low | 27.1 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | 22.3 | 135.1 | 130.5 | 51.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 593 | D | 30 | Very low | 27 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 95.6 | 102.8 | 135.1 | -73.5 | -35.1 | 0 | 0 | 0 | 121.8 | ||||
| 594 | N | 28.1 | Very low | 27.2 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | 49.5 | 105.7 | 119.1 | -70.9 | -54.2 | 0 | 0 | 0 | 120.4 | |||||
| 595 | I | 26.3 | Very low | 27.3 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 40.4 | 118.3 | 138.4 | -53.1 | 173.3 | 0 | 0 | 0 | 117.7 | ||||
| 596 | P | 28.7 | Very low | 27.5 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | -143.7 | 119.3 | 103.1 | 32.1 | -12.9 | 0 | 0 | 0 | 115.9 | |||||
| 597 | N | 27.1 | Very low | 28.1 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | 34.4 | 135.3 | 124.3 | -151.7 | 23.5 | 0 | 0 | 0 | 122.4 | |||||
| 598 | C | 25.3 | Very low | 28.9 | Very low | 99 Ų | 99 | 140 Ų | 140 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | 80 | 105.2 | 150.5 | -78.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 599 | N | 25.4 | Very low | 30 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | 88.9 | 149.4 | 115.9 | -130.2 | 12.7 | 0 | 0 | 0 | 120.5 | |||||
| 600 | E | 28.7 | Very low | 31.2 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 83 | 131.7 | 175.2 | -53.5 | -172 | 178.2 | 0 | 0 | 114.9 | ||||
| 601 | N | 27.2 | Very low | 32.9 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | cis | -166.6 | 155.5 | 1 | -150.7 | 11.7 | 0 | 0 | 0 | 105.8 | ||||
| 602 | P | 27.6 | Very low | 34.4 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | -88.5 | 154.2 | -179.3 | 35.3 | -26.9 | 0 | 0 | 0 | 111.7 | ||||
| 603 | Q | 25.1 | Very low | 36.5 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | 153.9 | 150.4 | 145.3 | -75.2 | -99.4 | -70.8 | 0 | 0 | 109.1 | ||||
| 604 | D | 31.4 | Very low | 39 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | 78.9 | 127.8 | 174.4 | -52.3 | -26.3 | 0 | 0 | 0 | 114.5 | ||||
| 605 | E | 33 | Very low | 41.5 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | cis | -165.5 | 140.7 | 18.5 | -114 | 172.8 | -176.4 | 0 | 0 | 108.3 | ||||
| 606 | L | 28.2 | Very low | 44.3 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 86% | 0.859 | 72% | 0.719 | S | S | * | * | trans | -72.8 | 154.2 | 148.9 | -102.4 | 91.3 | 0 | 0 | 0 | 107.4 | ||||
| 607 | P | 38.3 | Very low | 47 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | cis | -146.6 | 162.8 | 30.7 | 38 | -17.5 | 0 | 0 | 0 | 116.3 | ||||
| 608 | S | 42.6 | Very low | 49.9 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | trans | -165.9 | 94.9 | 150.5 | -86.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 609 | S | 47.6 | Very low | 52.7 | Low | 80 Ų | 80 | 129.4 Ų | 129.4 | 56% | 0.559 | 68% | 0.683 | S | S | * | * | trans | 43.7 | 131.7 | 148.4 | 92.5 | 0 | 0 | 0 | 0 | 123.2 | H611 | S609-H611 PolarHBondContact O-N 2.87Å; S609-H611 VanDerWaalsContact O-N 3.08Å | ||
| 610 | P | 54.1 | Low | 55.7 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 1.3 | 175.8 | 27.3 | -33.3 | 0 | 0 | 0 | 115.6 | L613 K614 | P610-L613 PolarHBondContact O-N 2.97Å; P610-K614 PolarHBondContact O-N 3.46Å |
| 611 | H | 59.2 | Low | 58.7 | Low | 145 Ų | 145 | 124 Ų | 124 | 67% | 0.671 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -67.1 | -38.9 | 179.3 | -101 | -46.3 | 0 | 0 | 0 | 113.2 | S609 L613 K614 E615 | S609-H611 PolarHBondContact O-N 2.87Å; S609-H611 VanDerWaalsContact O-N 3.08Å; H611-L613 VanDerWaalsContact C-N 3.26Å; H611-L613 PolarHBondContact O-N 3.17Å; H611-K614 PolarHBondContact O-N 3.32Å; H611-E615 PolarHBondContact O-N 3.29Å |
| 612 | S | 60.5 | Low | 61.7 | Low | 81 Ų | 81 | 122.3 Ų | 122.3 | 57% | 0.566 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.9 | -35 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | K616 | S612-K616 PolarHBondContact O-N 2.91Å; S612-K616 VanDerWaalsContact O-N 3.09Å |
| 613 | L | 71.4 | Confident | 64.6 | Low | 120 Ų | 120 | 123.1 Ų | 123.1 | 63% | 0.628 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.3 | -36.4 | 179.9 | -142.8 | 150.7 | 0 | 0 | 0 | 111.2 | P610 H611 K616 I617 | P610-L613 PolarHBondContact O-N 2.97Å; H611-L613 VanDerWaalsContact C-N 3.26Å; H611-L613 PolarHBondContact O-N 3.17Å; L613-K616 PolarHBondContact O-N 3.46Å; L613-I617 HydrophobicContact CD2-CD1 3.75Å; L613-I617 HydrophobicContact CD2-CG1 4.31Å; L613-I617 WeakPolarHBondContact O-CG1 3.31Å; L613-I617 PolarHBondContact O-N 3.06Å |
| 614 | K | 83.2 | Confident | 67.6 | Low | 141 Ų | 141 | 121 Ų | 121 | 61% | 0.613 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.7 | -39.4 | 174 | -165.2 | 178 | -177.1 | -175.2 | 0 | 112.1 | P610 H611 I617 Q618 | P610-K614 PolarHBondContact O-N 3.46Å; H611-K614 PolarHBondContact O-N 3.32Å; K614-I617 PolarHBondContact O-N 3.41Å; K614-Q618 WeakPolarHBondContact O-CB 3.48Å; K614-Q618 PolarHBondContact O-N 3.05Å |
| 615 | E | 81.5 | Confident | 70.5 | Confident | 127 Ų | 127 | 117.1 Ų | 117.1 | 59% | 0.593 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66 | -40 | 175.7 | -169.8 | 175.8 | -164.3 | 0 | 0 | 111.9 | H611 I617 Q618 Q619 | H611-E615 PolarHBondContact O-N 3.29Å; E615-I617 VanDerWaalsContact C-N 3.35Å; E615-I617 PolarHBondContact O-N 3.12Å; E615-Q618 PolarHBondContact O-N 3Å; E615-Q619 PolarHBondContact O-N 3.25Å |
| 616 | K | 83.2 | Confident | 73.2 | Confident | 135 Ų | 135 | 112.7 Ų | 112.7 | 59% | 0.587 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.5 | -40.9 | 175.1 | -144.7 | 82.5 | 175.5 | 180 | 0 | 112.2 | S612 L613 L620 | S612-K616 PolarHBondContact O-N 2.91Å; S612-K616 VanDerWaalsContact O-N 3.09Å; L613-K616 PolarHBondContact O-N 3.46Å; K616-L620 WeakPolarHBondContact O-CG 3.47Å; K616-L620 PolarHBondContact O-N 3.09Å; K616-L620 VanDerWaalsContact O-N 3.13Å |
| 617 | I | 86.5 | Confident | 76.1 | Confident | 83 Ų | 83 | 110.2 Ų | 110.2 | 43% | 0.426 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.8 | -43.9 | 176.4 | -68.1 | 167.8 | 0 | 0 | 0 | 110.3 | L613 K614 E615 Q619 L620 E621 | L613-I617 HydrophobicContact CD2-CD1 3.75Å; L613-I617 HydrophobicContact CD2-CG1 4.31Å; L613-I617 WeakPolarHBondContact O-CG1 3.31Å; L613-I617 PolarHBondContact O-N 3.06Å; K614-I617 PolarHBondContact O-N 3.41Å; E615-I617 VanDerWaalsContact C-N 3.35Å; E615-I617 PolarHBondContact O-N 3.12Å; I617-Q619 VanDerWaalsContact C-N 3.34Å; I617-Q619 PolarHBondContact O-N 3.45Å; I617-L620 PolarHBondContact O-N 3.41Å; I617-L620 VanDerWaalsContact O-N 3.14Å; I617-E621 HydrophobicContact CG2-CG 4.43Å; I617-E621 WeakPolarHBondContact O-CG 3.41Å; I617-E621 PolarHBondContact O-N 2.97Å |
| 618 | Q | 87 | Confident | 78.6 | Confident | 113 Ų | 113 | 108.9 Ų | 108.9 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.1 | -43.5 | 177.1 | -169 | 76.2 | 55.9 | 0 | 0 | 112 | K614 E615 L620 E621 E622 | K614-Q618 WeakPolarHBondContact O-CB 3.48Å; K614-Q618 PolarHBondContact O-N 3.05Å; E615-Q618 PolarHBondContact O-N 3Å; Q618-L620 VanDerWaalsContact C-N 3.35Å; Q618-L620 PolarHBondContact O-N 3.47Å; Q618-E621 PolarHBondContact O-N 2.83Å; Q618-E622 PolarHBondContact O-N 3.06Å |
| 619 | Q | 86.1 | Confident | 81 | Confident | 106 Ų | 106 | 107.2 Ų | 107.2 | 50% | 0.495 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.3 | -40.5 | 174.8 | -98.3 | -179.9 | 8.3 | 0 | 0 | 112.5 | E615 I617 E622 M623 | E615-Q619 PolarHBondContact O-N 3.25Å; I617-Q619 VanDerWaalsContact C-N 3.34Å; I617-Q619 PolarHBondContact O-N 3.45Å; Q619-E622 PolarHBondContact O-N 2.97Å; Q619-M623 WeakPolarHBondContact O-CB 3.35Å; Q619-M623 WeakPolarHBondContact O-CG 3.47Å; Q619-M623 PolarHBondContact O-N 2.67Å |
| 620 | L | 87.9 | Confident | 83 | Confident | 102 Ų | 102 | 106 Ų | 106 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.3 | -38.9 | 177.8 | -74.7 | 170.8 | 0 | 0 | 0 | 112 | K616 I617 Q618 E622 M623 L624 | K616-L620 WeakPolarHBondContact O-CG 3.47Å; K616-L620 PolarHBondContact O-N 3.09Å; K616-L620 VanDerWaalsContact O-N 3.13Å; I617-L620 PolarHBondContact O-N 3.41Å; I617-L620 VanDerWaalsContact O-N 3.14Å; Q618-L620 VanDerWaalsContact C-N 3.35Å; Q618-L620 PolarHBondContact O-N 3.47Å; L620-E622 VanDerWaalsContact C-N 3.35Å; L620-M623 PolarHBondContact O-N 3.12Å; L620-L624 WeakPolarHBondContact O-CB 3.26Å; L620-L624 PolarHBondContact O-N 2.96Å |
| 621 | E | 90.9 | Very high | 84.5 | Confident | 111 Ų | 111 | 105.4 Ų | 105.4 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 174.2 | -73 | 176 | 169.8 | 0 | 0 | 111.5 | I617 Q618 L624 S625 | I617-E621 HydrophobicContact CG2-CG 4.43Å; I617-E621 WeakPolarHBondContact O-CG 3.41Å; I617-E621 PolarHBondContact O-N 2.97Å; Q618-E621 PolarHBondContact O-N 2.83Å; E621-L624 PolarHBondContact O-N 3.35Å; E621-S625 WeakPolarHBondContact O-CB 3.33Å; E621-S625 PolarHBondContact O-N 3.14Å |
| 622 | E | 90.3 | Very high | 86.1 | Confident | 116 Ų | 116 | 101 Ų | 101 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 175.9 | -168.8 | 174.6 | -171.6 | 0 | 0 | 112 | Q618 Q619 L620 L624 S625 N626 | Q618-E622 PolarHBondContact O-N 3.06Å; Q619-E622 PolarHBondContact O-N 2.97Å; L620-E622 VanDerWaalsContact C-N 3.35Å; E622-L624 PolarHBondContact O-N 2.9Å; E622-S625 PolarHBondContact O-N 3.33Å; E622-N626 WeakPolarHBondContact O-CB 3.26Å; E622-N626 VanDerWaalsContact O-CG 3.23Å; E622-N626 PolarHBondContact O-N 3.27Å; E622-N626 PolarHBondContact O-ND2 3.24Å |
| 623 | M | 87.9 | Confident | 87.6 | Confident | 118 Ų | 118 | 102.1 Ų | 102.1 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 174.5 | -75.9 | -175 | 66.1 | 0 | 0 | 112.6 | Q619 L620 N626 N627 | Q619-M623 WeakPolarHBondContact O-CB 3.35Å; Q619-M623 WeakPolarHBondContact O-CG 3.47Å; Q619-M623 PolarHBondContact O-N 2.67Å; L620-M623 PolarHBondContact O-N 3.12Å; M623-N626 PolarHBondContact O-N 2.96Å; M623-N627 WeakPolarHBondContact O-CB 3.5Å; M623-N627 PolarHBondContact O-N 3.41Å |
| 624 | L | 89.3 | Confident | 88.6 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 66% | 0.66 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -41.1 | 175.5 | -94.9 | 159.3 | 0 | 0 | 0 | 111.7 | L620 E621 E622 N627 S628 | L620-L624 WeakPolarHBondContact O-CB 3.26Å; L620-L624 PolarHBondContact O-N 2.96Å; E621-L624 PolarHBondContact O-N 3.35Å; E622-L624 PolarHBondContact O-N 2.9Å; L624-N627 PolarHBondContact O-N 3.02Å; L624-S628 WeakPolarHBondContact O-CB 3.49Å; L624-S628 PolarHBondContact O-N 2.89Å |
| 625 | S | 92 | Very high | 88.9 | Confident | 62 Ų | 62 | 100.5 Ų | 100.5 | 43% | 0.434 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 174.8 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | E621 E622 N627 S628 I629 | E621-S625 WeakPolarHBondContact O-CB 3.33Å; E621-S625 PolarHBondContact O-N 3.14Å; E622-S625 PolarHBondContact O-N 3.33Å; S625-N627 PolarHBondContact O-N 3Å; S625-S628 WeakPolarHBondContact O-CB 3.26Å; S625-S628 PolarHBondContact O-N 3.48Å; S625-I629 VanDerWaalsContact O-CG1 3.32Å; S625-I629 WeakPolarHBondContact O-CG1 3.38Å; S625-I629 PolarHBondContact O-N 3.48Å |
| 626 | N | 89.8 | Confident | 89.3 | Confident | 92 Ų | 92 | 96.9 Ų | 96.9 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 178.7 | -69.4 | -18.3 | 0 | 0 | 0 | 112.1 | E622 M623 S628 I629 A630 | E622-N626 WeakPolarHBondContact O-CB 3.26Å; E622-N626 VanDerWaalsContact O-CG 3.23Å; E622-N626 PolarHBondContact O-N 3.27Å; E622-N626 PolarHBondContact O-ND2 3.24Å; M623-N626 PolarHBondContact O-N 2.96Å; N626-S628 VanDerWaalsContact C-N 3.35Å; N626-I629 PolarHBondContact O-N 3.39Å; N626-A630 WeakPolarHBondContact O-CB 3.5Å; N626-A630 PolarHBondContact O-N 3.34Å |
| 627 | N | 88.3 | Confident | 89.6 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 60% | 0.599 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.9 | -37.7 | 173.4 | -101.2 | -34.7 | 0 | 0 | 0 | 112.5 | M623 L624 S625 I629 A630 N631 | M623-N627 WeakPolarHBondContact O-CB 3.5Å; M623-N627 PolarHBondContact O-N 3.41Å; L624-N627 PolarHBondContact O-N 3.02Å; S625-N627 PolarHBondContact O-N 3Å; N627-I629 VanDerWaalsContact C-N 3.34Å; N627-A630 PolarHBondContact O-N 3.44Å; N627-N631 WeakPolarHBondContact O-CB 3.48Å; N627-N631 PolarHBondContact O-N 3.28Å |
| 628 | S | 91.5 | Very high | 89.6 | Confident | 81 Ų | 81 | 96.1 Ų | 96.1 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -40.5 | 175.3 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | L624 S625 N626 A632 | L624-S628 WeakPolarHBondContact O-CB 3.49Å; L624-S628 PolarHBondContact O-N 2.89Å; S625-S628 WeakPolarHBondContact O-CB 3.26Å; S625-S628 PolarHBondContact O-N 3.48Å; N626-S628 VanDerWaalsContact C-N 3.35Å; S628-A632 WeakPolarHBondContact O-CB 3.47Å; S628-A632 PolarHBondContact O-N 2.85Å |
| 629 | I | 92.1 | Very high | 89.7 | Confident | 88 Ų | 88 | 97 Ų | 97 | 45% | 0.451 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -44.8 | 176.9 | -66.3 | 161.3 | 0 | 0 | 0 | 110.6 | S625 N626 N627 N631 A632 N633 | S625-I629 VanDerWaalsContact O-CG1 3.32Å; S625-I629 WeakPolarHBondContact O-CG1 3.38Å; S625-I629 PolarHBondContact O-N 3.48Å; N626-I629 PolarHBondContact O-N 3.39Å; N627-I629 VanDerWaalsContact C-N 3.34Å; I629-N631 VanDerWaalsContact C-N 3.29Å; I629-N631 PolarHBondContact O-N 2.9Å; I629-A632 PolarHBondContact O-N 3.24Å; I629-N633 PolarHBondContact O-N 3.36Å |
| 630 | A | 89.9 | Confident | 89.7 | Confident | 53 Ų | 53 | 95.8 Ų | 95.8 | 44% | 0.438 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N626 N627 N633 R634 | N626-A630 WeakPolarHBondContact O-CB 3.5Å; N626-A630 PolarHBondContact O-N 3.34Å; N627-A630 PolarHBondContact O-N 3.44Å; A630-N633 PolarHBondContact O-N 3.45Å; A630-R634 PolarHBondContact O-N 3.47Å |
| 631 | N | 86.6 | Confident | 89.6 | Confident | 101 Ų | 101 | 96.8 Ų | 96.8 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.8 | -39.7 | 177.1 | -159.9 | 12.9 | 0 | 0 | 0 | 112.1 | N627 I629 N633 R634 I635 | N627-N631 WeakPolarHBondContact O-CB 3.48Å; N627-N631 PolarHBondContact O-N 3.28Å; I629-N631 VanDerWaalsContact C-N 3.29Å; I629-N631 PolarHBondContact O-N 2.9Å; N631-N633 VanDerWaalsContact C-N 3.32Å; N631-N633 PolarHBondContact O-N 2.92Å; N631-R634 WeakPolarHBondContact O-CB 3.5Å; N631-R634 PolarHBondContact O-N 3.43Å; N631-I635 WeakPolarHBondContact O-CG1 3.4Å; N631-I635 PolarHBondContact O-N 3.35Å |
| 632 | A | 93.3 | Very high | 89.4 | Confident | 54 Ų | 54 | 96 Ų | 96 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | S628 I629 I635 A636 | S628-A632 WeakPolarHBondContact O-CB 3.47Å; S628-A632 PolarHBondContact O-N 2.85Å; I629-A632 PolarHBondContact O-N 3.24Å; A632-I635 PolarHBondContact O-N 3.38Å; A632-A636 PolarHBondContact O-N 2.86Å |
| 633 | N | 92 | Very high | 89 | Confident | 104 Ų | 104 | 94.9 Ų | 94.9 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.7 | -40.6 | 175.1 | -68.5 | -16.9 | 0 | 0 | 0 | 111.9 | I629 A630 N631 I635 A636 E637 | I629-N633 PolarHBondContact O-N 3.36Å; A630-N633 PolarHBondContact O-N 3.45Å; N631-N633 VanDerWaalsContact C-N 3.32Å; N631-N633 PolarHBondContact O-N 2.92Å; N633-I635 VanDerWaalsContact C-N 3.31Å; N633-I635 PolarHBondContact O-N 2.94Å; N633-A636 PolarHBondContact O-N 3.32Å; N633-E637 PolarHBondContact O-N 3.03Å |
| 634 | R | 91.6 | Very high | 88.9 | Confident | 144 Ų | 144 | 93.4 Ų | 93.4 | 54% | 0.543 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 175.9 | -172.3 | 69.3 | 171.8 | 129.8 | 0.6 | 112.1 | A630 N631 L638 | A630-R634 PolarHBondContact O-N 3.47Å; N631-R634 WeakPolarHBondContact O-CB 3.5Å; N631-R634 PolarHBondContact O-N 3.43Å; R634-L638 WeakPolarHBondContact O-CG 3.37Å; R634-L638 PolarHBondContact O-N 2.69Å; R634-L638 VanDerWaalsContact O-N 3.15Å |
| 635 | I | 89.6 | Confident | 88.6 | Confident | 82 Ų | 82 | 93.3 Ų | 93.3 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 175.5 | -67.4 | 166.3 | 0 | 0 | 0 | 110.3 | N631 A632 N633 E637 L638 E639 | N631-I635 WeakPolarHBondContact O-CG1 3.4Å; N631-I635 PolarHBondContact O-N 3.35Å; A632-I635 PolarHBondContact O-N 3.38Å; N633-I635 VanDerWaalsContact C-N 3.31Å; N633-I635 PolarHBondContact O-N 2.94Å; I635-E637 VanDerWaalsContact C-N 3.3Å; I635-E637 PolarHBondContact O-N 3.08Å; I635-L638 PolarHBondContact O-N 3.32Å; I635-L638 VanDerWaalsContact O-N 3.11Å; I635-E639 HydrophobicContact CG2-CG 4.35Å; I635-E639 WeakPolarHBondContact O-CG 3.4Å; I635-E639 PolarHBondContact O-N 3.28Å |
| 636 | A | 89.5 | Confident | 88.3 | Confident | 52 Ų | 52 | 92.7 Ų | 92.7 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A632 N633 E639 S640 | A632-A636 PolarHBondContact O-N 2.86Å; N633-A636 PolarHBondContact O-N 3.32Å; A636-E639 PolarHBondContact O-N 3.08Å; A636-S640 WeakPolarHBondContact O-CB 3.21Å; A636-S640 PolarHBondContact O-N 3.47Å |
| 637 | E | 90.7 | Very high | 88 | Confident | 114 Ų | 114 | 97.3 Ų | 97.3 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 172.7 | -175 | 101 | -148.4 | 0 | 0 | 111.6 | N633 I635 S640 Q641 | N633-E637 PolarHBondContact O-N 3.03Å; I635-E637 VanDerWaalsContact C-N 3.3Å; I635-E637 PolarHBondContact O-N 3.08Å; E637-S640 WeakPolarHBondContact O-CB 3.43Å; E637-S640 PolarHBondContact O-N 3.13Å; E637-Q641 WeakPolarHBondContact O-CG 3.47Å; E637-Q641 PolarHBondContact O-N 3.27Å |
| 638 | L | 86 | Confident | 87.7 | Confident | 88 Ų | 88 | 97.5 Ų | 97.5 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 177.8 | -70.3 | 172.5 | 0 | 0 | 0 | 112.1 | R634 I635 Q641 L642 | R634-L638 WeakPolarHBondContact O-CG 3.37Å; R634-L638 PolarHBondContact O-N 2.69Å; R634-L638 VanDerWaalsContact O-N 3.15Å; I635-L638 PolarHBondContact O-N 3.32Å; I635-L638 VanDerWaalsContact O-N 3.11Å; L638-Q641 PolarHBondContact O-N 3.26Å; L638-L642 PolarHBondContact O-N 3.21Å |
| 639 | E | 88 | Confident | 87.5 | Confident | 130 Ų | 130 | 98.6 Ų | 98.6 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.2 | -40.4 | 173.8 | -72.4 | 177.9 | 165.9 | 0 | 0 | 111.5 | I635 A636 Q641 L642 E643 | I635-E639 HydrophobicContact CG2-CG 4.35Å; I635-E639 WeakPolarHBondContact O-CG 3.4Å; I635-E639 PolarHBondContact O-N 3.28Å; A636-E639 PolarHBondContact O-N 3.08Å; E639-Q641 VanDerWaalsContact C-N 3.31Å; E639-Q641 PolarHBondContact O-N 2.99Å; E639-L642 WeakPolarHBondContact O-CB 3.42Å; E639-L642 PolarHBondContact O-N 3.09Å; E639-E643 PolarHBondContact O-N 3.04Å |
| 640 | S | 85.7 | Confident | 87.2 | Confident | 82 Ų | 82 | 100.9 Ų | 100.9 | 57% | 0.573 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.8 | -37.6 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | A636 E637 L642 E643 | A636-S640 WeakPolarHBondContact O-CB 3.21Å; A636-S640 PolarHBondContact O-N 3.47Å; E637-S640 WeakPolarHBondContact O-CB 3.43Å; E637-S640 PolarHBondContact O-N 3.13Å; S640-L642 PolarHBondContact O-N 3.33Å; S640-E643 WeakPolarHBondContact O-CB 3.35Å; S640-E643 PolarHBondContact O-N 2.92Å |
| 641 | Q | 86 | Confident | 86.6 | Confident | 123 Ų | 123 | 101.6 Ų | 101.6 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.6 | -16.5 | 174.9 | -70.9 | -177.1 | 21.9 | 0 | 0 | 113.1 | E637 L638 E639 P644 | E637-Q641 WeakPolarHBondContact O-CG 3.47Å; E637-Q641 PolarHBondContact O-N 3.27Å; L638-Q641 PolarHBondContact O-N 3.26Å; E639-Q641 VanDerWaalsContact C-N 3.31Å; E639-Q641 PolarHBondContact O-N 2.99Å; Q641-P644 WeakPolarHBondContact O-CD 3.4Å |
| 642 | L | 87.3 | Confident | 86.1 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -88.6 | -10.7 | 176.9 | -145.5 | 74.5 | 0 | 0 | 0 | 113.2 | L638 E639 S640 F645 N646 | L638-L642 PolarHBondContact O-N 3.21Å; E639-L642 WeakPolarHBondContact O-CB 3.42Å; E639-L642 PolarHBondContact O-N 3.09Å; S640-L642 PolarHBondContact O-N 3.33Å; L642-F645 HydrophobicContact CG-CB 4.47Å; L642-F645 WeakPolarHBondContact O-CB 3.44Å; L642-F645 PolarHBondContact O-N 3.46Å; L642-F645 VanDerWaalsContact O-N 3.09Å; L642-N646 PolarHBondContact O-N 3.02Å |
| 643 | E | 82.8 | Confident | 85.5 | Confident | 93 Ų | 93 | 104.3 Ų | 104.3 | 44% | 0.435 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.8 | -41.7 | 177.9 | -86.5 | -62.9 | 129.3 | 0 | 0 | 114.6 | E639 S640 F645 N646 R647 | E639-E643 PolarHBondContact O-N 3.04Å; S640-E643 WeakPolarHBondContact O-CB 3.35Å; S640-E643 PolarHBondContact O-N 2.92Å; E643-F645 VanDerWaalsContact C-N 3.28Å; E643-F645 PolarHBondContact O-N 2.96Å; E643-N646 PolarHBondContact O-N 2.84Å; E643-R647 PolarHBondContact O-N 3Å |
| 644 | P | 84.4 | Confident | 84.7 | Confident | 87 Ų | 87 | 103.1 Ų | 103.1 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.8 | -38.9 | 173.6 | -24.1 | 34.2 | 0 | 0 | 0 | 112.7 | Q641 R647 L648 | Q641-P644 WeakPolarHBondContact O-CD 3.4Å; P644-R647 PolarHBondContact O-N 3.38Å; P644-L648 PolarHBondContact O-N 3.13Å |
| 645 | F | 84.6 | Confident | 83.5 | Confident | 124 Ų | 124 | 99.4 Ų | 99.4 | 54% | 0.544 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 177 | -176.6 | -94.1 | 0 | 0 | 0 | 111.4 | L642 E643 R647 L648 Q649 | L642-F645 HydrophobicContact CG-CB 4.47Å; L642-F645 WeakPolarHBondContact O-CB 3.44Å; L642-F645 PolarHBondContact O-N 3.46Å; L642-F645 VanDerWaalsContact O-N 3.09Å; E643-F645 VanDerWaalsContact C-N 3.28Å; E643-F645 PolarHBondContact O-N 2.96Å; F645-R647 VanDerWaalsContact C-N 3.31Å; F645-R647 PolarHBondContact O-N 2.82Å; F645-L648 PolarHBondContact O-N 3.27Å; F645-Q649 WeakPolarHBondContact O-CB 3.4Å; F645-Q649 PolarHBondContact O-N 3.04Å |
| 646 | N | 85.2 | Confident | 82.5 | Confident | 49 Ų | 49 | 98.6 Ų | 98.6 | 26% | 0.262 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 174.1 | -76.2 | -33.4 | 0 | 0 | 0 | 112.2 | L642 E643 K650 | L642-N646 PolarHBondContact O-N 3.02Å; E643-N646 PolarHBondContact O-N 2.84Å; N646-K650 WeakPolarHBondContact O-CB 3.42Å; N646-K650 VanDerWaalsContact O-CG 3.28Å; N646-K650 WeakPolarHBondContact O-CG 3.46Å; N646-K650 PolarHBondContact O-N 3.49Å |
| 647 | R | 83.4 | Confident | 81.3 | Confident | 190 Ų | 190 | 99.5 Ų | 99.5 | 72% | 0.717 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | 172.2 | -82.3 | -174.6 | 176 | -159.2 | -0.4 | 111.7 | E643 P644 F645 K650 S651 | E643-R647 PolarHBondContact O-N 3Å; P644-R647 PolarHBondContact O-N 3.38Å; F645-R647 VanDerWaalsContact C-N 3.31Å; F645-R647 PolarHBondContact O-N 2.82Å; R647-K650 PolarHBondContact O-N 2.72Å; R647-S651 WeakPolarHBondContact O-CB 3.45Å; R647-S651 PolarHBondContact O-N 2.87Å |
| 648 | L | 81 | Confident | 79.8 | Confident | 116 Ų | 116 | 98.5 Ų | 98.5 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 177.7 | -175.8 | 65.4 | 0 | 0 | 0 | 111.3 | P644 F645 K650 S651 L652 | P644-L648 PolarHBondContact O-N 3.13Å; F645-L648 PolarHBondContact O-N 3.27Å; L648-K650 PolarHBondContact O-N 2.92Å; L648-S651 WeakPolarHBondContact O-CB 3.48Å; L648-S651 PolarHBondContact O-N 3.18Å; L648-L652 WeakPolarHBondContact O-CB 3.49Å; L648-L652 PolarHBondContact O-N 3.03Å |
| 649 | Q | 87.2 | Confident | 77.6 | Confident | 103 Ų | 103 | 99.9 Ų | 99.9 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.1 | -171.5 | -177.3 | 15 | 0 | 0 | 111.7 | F645 L652 N653 | F645-Q649 WeakPolarHBondContact O-CB 3.4Å; F645-Q649 PolarHBondContact O-N 3.04Å; Q649-L652 PolarHBondContact O-N 3.39Å; Q649-N653 WeakPolarHBondContact O-CB 3.48Å; Q649-N653 PolarHBondContact O-N 2.98Å |
| 650 | K | 85.9 | Confident | 76 | Confident | 136 Ų | 136 | 100.6 Ų | 100.6 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 173.8 | -75.7 | 172.2 | -176.6 | 170.7 | 0 | 111.7 | N646 R647 L648 N653 T654 | N646-K650 WeakPolarHBondContact O-CB 3.42Å; N646-K650 VanDerWaalsContact O-CG 3.28Å; N646-K650 WeakPolarHBondContact O-CG 3.46Å; N646-K650 PolarHBondContact O-N 3.49Å; R647-K650 PolarHBondContact O-N 2.72Å; L648-K650 PolarHBondContact O-N 2.92Å; K650-N653 PolarHBondContact O-N 2.71Å; K650-T654 WeakPolarHBondContact O-CB 3.5Å; K650-T654 PolarHBondContact O-N 3.47Å; K650-T654 PolarHBondContact O-OG1 3.26Å |
| 651 | S | 78.5 | Confident | 74.1 | Confident | 69 Ų | 69 | 100.7 Ų | 100.7 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 177.1 | -166 | 0 | 0 | 0 | 0 | 111.2 | R647 L648 T654 T655 | R647-S651 WeakPolarHBondContact O-CB 3.45Å; R647-S651 PolarHBondContact O-N 2.87Å; L648-S651 WeakPolarHBondContact O-CB 3.48Å; L648-S651 PolarHBondContact O-N 3.18Å; S651-T654 WeakPolarHBondContact O-CB 3.49Å; S651-T654 PolarHBondContact O-N 3.43Å; S651-T655 PolarHBondContact O-N 2.86Å; S651-T655 PolarHBondContact O-OG1 3.41Å; S651-T655 VanDerWaalsContact O-OG1 3.04Å |
| 652 | L | 75.9 | Confident | 71.6 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 177.5 | -171.6 | 70.8 | 0 | 0 | 0 | 111.3 | L648 Q649 T654 T655 V656 | L648-L652 WeakPolarHBondContact O-CB 3.49Å; L648-L652 PolarHBondContact O-N 3.03Å; Q649-L652 PolarHBondContact O-N 3.39Å; L652-T654 VanDerWaalsContact C-N 3.26Å; L652-T654 PolarHBondContact O-N 3.24Å; L652-T655 WeakPolarHBondContact O-CB 3.23Å; L652-T655 PolarHBondContact O-N 3.35Å; L652-T655 VanDerWaalsContact O-N 3.16Å; L652-V656 VanDerWaalsContact O-CG2 3.31Å; L652-V656 WeakPolarHBondContact O-CG2 3.27Å; L652-V656 PolarHBondContact O-N 3.42Å |
| 653 | N | 80 | Confident | 69.3 | Low | 97 Ų | 97 | 101.5 Ų | 101.5 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.9 | -35.2 | 174.9 | -99 | -14.1 | 0 | 0 | 0 | 112.4 | Q649 K650 S657 | Q649-N653 WeakPolarHBondContact O-CB 3.48Å; Q649-N653 PolarHBondContact O-N 2.98Å; K650-N653 PolarHBondContact O-N 2.71Å; N653-S657 VanDerWaalsContact O-CB 3.28Å; N653-S657 WeakPolarHBondContact O-CB 3.48Å; N653-S657 PolarHBondContact O-N 3.33Å; N653-S657 PolarHBondContact O-OG 3.37Å |
| 654 | T | 74.9 | Confident | 67.4 | Low | 79 Ų | 79 | 102.7 Ų | 102.7 | 49% | 0.485 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.4 | -43.7 | 174.4 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | K650 S651 L652 S657 N658 | K650-T654 WeakPolarHBondContact O-CB 3.5Å; K650-T654 PolarHBondContact O-N 3.47Å; K650-T654 PolarHBondContact O-OG1 3.26Å; S651-T654 WeakPolarHBondContact O-CB 3.49Å; S651-T654 PolarHBondContact O-N 3.43Å; L652-T654 VanDerWaalsContact C-N 3.26Å; L652-T654 PolarHBondContact O-N 3.24Å; T654-S657 PolarHBondContact O-N 3.45Å; T654-N658 WeakPolarHBondContact O-CB 3.36Å; T654-N658 PolarHBondContact O-N 2.87Å; T654-N658 PolarHBondContact O-ND2 2.92Å |
| 655 | T | 67.2 | Low | 65.1 | Low | 67 Ų | 67 | 104.4 Ų | 104.4 | 41% | 0.411 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -45.3 | 174.7 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | S651 L652 S657 N658 L659 | S651-T655 PolarHBondContact O-N 2.86Å; S651-T655 PolarHBondContact O-OG1 3.41Å; S651-T655 VanDerWaalsContact O-OG1 3.04Å; L652-T655 WeakPolarHBondContact O-CB 3.23Å; L652-T655 PolarHBondContact O-N 3.35Å; L652-T655 VanDerWaalsContact O-N 3.16Å; T655-S657 VanDerWaalsContact C-N 3.31Å; T655-S657 PolarHBondContact O-N 3.45Å; T655-N658 WeakPolarHBondContact O-CB 3.41Å; T655-N658 PolarHBondContact O-N 3.45Å; T655-L659 WeakPolarHBondContact O-CG 3.38Å; T655-L659 PolarHBondContact O-N 2.7Å |
| 656 | V | 68.5 | Low | 62.5 | Low | 65 Ų | 65 | 104 Ų | 104 | 39% | 0.394 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62 | -40.4 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L652 L659 L660 | L652-V656 VanDerWaalsContact O-CG2 3.31Å; L652-V656 WeakPolarHBondContact O-CG2 3.27Å; L652-V656 PolarHBondContact O-N 3.42Å; V656-L659 PolarHBondContact O-N 3.13Å; V656-L660 HydrophobicContact CG1-CD1 3.97Å; V656-L660 WeakPolarHBondContact O-CD1 3.44Å; V656-L660 PolarHBondContact O-N 3.05Å |
| 657 | S | 65.1 | Low | 59.7 | Low | 71 Ų | 71 | 107.8 Ų | 107.8 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.4 | -39.7 | 175 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | N653 T654 T655 L660 S661 | N653-S657 VanDerWaalsContact O-CB 3.28Å; N653-S657 WeakPolarHBondContact O-CB 3.48Å; N653-S657 PolarHBondContact O-N 3.33Å; N653-S657 PolarHBondContact O-OG 3.37Å; T654-S657 PolarHBondContact O-N 3.45Å; T655-S657 VanDerWaalsContact C-N 3.31Å; T655-S657 PolarHBondContact O-N 3.45Å; S657-L660 PolarHBondContact O-N 2.99Å; S657-S661 WeakPolarHBondContact O-CB 3.5Å; S657-S661 PolarHBondContact O-N 3.48Å |
| 658 | N | 57.6 | Low | 57.1 | Low | 92 Ų | 92 | 106.5 Ų | 106.5 | 49% | 0.492 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64 | -41.8 | 174.5 | -71.1 | -17.5 | 0 | 0 | 0 | 110.9 | T654 T655 S661 L662 | T654-N658 WeakPolarHBondContact O-CB 3.36Å; T654-N658 PolarHBondContact O-N 2.87Å; T654-N658 PolarHBondContact O-ND2 2.92Å; T655-N658 WeakPolarHBondContact O-CB 3.41Å; T655-N658 PolarHBondContact O-N 3.45Å; N658-S661 WeakPolarHBondContact CA-OG 3.45Å; N658-S661 PolarHBondContact O-N 2.91Å; N658-S661 VanDerWaalsContact O-N 3.1Å; N658-S661 PolarHBondContact O-OG 3.01Å; N658-L662 WeakPolarHBondContact O-CD1 3.37Å; N658-L662 PolarHBondContact O-N 3.45Å |
| 659 | L | 40.9 | Very low | 54.6 | Low | 117 Ų | 117 | 106.1 Ų | 106.1 | 61% | 0.613 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.5 | -37 | 175.4 | -68.8 | -178.8 | 0 | 0 | 0 | 112.5 | T655 V656 S661 L662 | T655-L659 WeakPolarHBondContact O-CG 3.38Å; T655-L659 PolarHBondContact O-N 2.7Å; V656-L659 PolarHBondContact O-N 3.13Å; L659-S661 VanDerWaalsContact C-N 3.27Å; L659-S661 PolarHBondContact O-N 3.03Å; L659-L662 HydrophobicContact CD2-CD1 4.42Å; L659-L662 PolarHBondContact O-N 2.99Å |
| 660 | L | 53 | Low | 51.8 | Low | 146 Ų | 146 | 106.2 Ų | 106.2 | 76% | 0.764 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.9 | -21.6 | 172 | -98.5 | 85.2 | 0 | 0 | 0 | 113.2 | V656 S657 L662 | V656-L660 HydrophobicContact CG1-CD1 3.97Å; V656-L660 WeakPolarHBondContact O-CD1 3.44Å; V656-L660 PolarHBondContact O-N 3.05Å; S657-L660 PolarHBondContact O-N 2.99Å; L660-L662 VanDerWaalsContact C-N 3.33Å |
| 661 | S | 46 | Very low | 49.1 | Very low | 83 Ų | 83 | 107.9 Ų | 107.9 | 58% | 0.58 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -1.3 | 177.8 | 78 | 0 | 0 | 0 | 0 | 114 | S657 N658 L659 P663 | S657-S661 WeakPolarHBondContact O-CB 3.5Å; S657-S661 PolarHBondContact O-N 3.48Å; N658-S661 WeakPolarHBondContact CA-OG 3.45Å; N658-S661 PolarHBondContact O-N 2.91Å; N658-S661 VanDerWaalsContact O-N 3.1Å; N658-S661 PolarHBondContact O-OG 3.01Å; L659-S661 VanDerWaalsContact C-N 3.27Å; L659-S661 PolarHBondContact O-N 3.03Å; S661-P663 WeakPolarHBondContact O-CD 3.43Å |
| 662 | L | 34.9 | Very low | 46.7 | Very low | 117 Ų | 117 | 112.8 Ų | 112.8 | 61% | 0.613 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -64.5 | 121.6 | 171.8 | -97.4 | 84.5 | 0 | 0 | 0 | 109.3 | N658 L659 L660 | N658-L662 WeakPolarHBondContact O-CD1 3.37Å; N658-L662 PolarHBondContact O-N 3.45Å; L659-L662 HydrophobicContact CD2-CD1 4.42Å; L659-L662 PolarHBondContact O-N 2.99Å; L660-L662 VanDerWaalsContact C-N 3.33Å |
| 663 | P | 37.7 | Very low | 44.5 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 75% | 0.753 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 130.2 | -178.9 | 24.1 | -31.1 | 0 | 0 | 0 | 109.8 | S661 | S661-P663 WeakPolarHBondContact O-CD 3.43Š|
| 664 | P | 44 | Very low | 42 | Very low | 119 Ų | 119 | 114.6 Ų | 114.6 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 142.2 | -176.2 | 24.2 | -31.1 | 0 | 0 | 0 | 111.7 | ||
| 665 | P | 35.3 | Very low | 40 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 160.6 | -178.5 | 25.5 | -32 | 0 | 0 | 0 | 113.2 | T667 | P665-T667 PolarHBondContact O-N 2.94Š|
| 666 | P | 30.6 | Very low | 38.2 | Very low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 124.3 | -153.8 | 27.1 | -34.2 | 0 | 0 | 0 | 115.1 | ||
| 667 | T | 26.6 | Very low | 36.7 | Very low | 128 Ų | 128 | 127 Ų | 127 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 42.6 | 92.1 | 135.3 | -17.8 | 0 | 0 | 0 | 0 | 117.9 | P665 | P665-T667 PolarHBondContact O-N 2.94Š| ||
| 668 | L | 28.3 | Very low | 35.4 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | -110.9 | 152.6 | 148.4 | -85.9 | 152.1 | 0 | 0 | 0 | 109.4 | S670 | L668-S670 PolarHBondContact O-N 2.95Š| ||
| 669 | P | 29 | Very low | 34.5 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -74.5 | 107.1 | -146.5 | -19 | 33.7 | 0 | 0 | 0 | 116.7 | H671 | P669-H671 PolarHBondContact O-N 2.9Š| ||
| 670 | S | 27.2 | Very low | 34.5 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | S | Bend | 50.7 | 1.2 | 122.6 | -47.1 | 0 | 0 | 0 | 0 | 124.3 | L668 | L668-S670 PolarHBondContact O-N 2.95Š| |
| 671 | H | 29.5 | Very low | 33.8 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -115.5 | 1.8 | -174 | -95.8 | -64.4 | 0 | 0 | 0 | 120 | P669 | P669-H671 PolarHBondContact O-N 2.9Š|
| 672 | L | 28.2 | Very low | 34 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -138.5 | 25.1 | 177.1 | -67.6 | 175.9 | 0 | 0 | 0 | 115.8 | G674 | L672-G674 PolarHBondContact O-N 3.4Š|
| 673 | L | 30.1 | Very low | 34.9 | Very low | 187 Ų | 187 | 126.4 Ų | 126.4 | 98% | 0.979 | 73% | 0.732 | S | S | * | * | trans | -92.8 | 82.7 | 166.9 | -100.8 | 79.2 | 0 | 0 | 0 | 110.3 | ||||
| 674 | G | 27.9 | Very low | 36 | Very low | 62 Ų | 62 | 126.6 Ų | 126.6 | 64% | 0.639 | 73% | 0.731 | S | S | * | * | trans | -132.1 | 57.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L672 | L672-G674 PolarHBondContact O-N 3.4Š| ||
| 675 | Q | 32.4 | Very low | 37.2 | Very low | 179 Ų | 179 | 123.1 Ų | 123.1 | 84% | 0.836 | 71% | 0.71 | S | S | * | * | trans | -178.7 | 117.2 | 142.7 | -101.7 | 167.7 | 80.2 | 0 | 0 | 110.9 | S677 | Q675-S677 PolarHBondContact O-N 3.43Š| ||
| 676 | Q | 29.1 | Very low | 39 | Very low | 206 Ų | 206 | 122 Ų | 122 | 96% | 0.963 | 70% | 0.701 | S | S | * | * | trans | -73.3 | 107.5 | 160.5 | -65.2 | 175.1 | 4.8 | 0 | 0 | 106.7 | ||||
| 677 | S | 38.2 | Very low | 41.1 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -128.9 | 123.3 | 162.7 | 47.7 | 0 | 0 | 0 | 0 | 109 | Q675 C679 | Q675-S677 PolarHBondContact O-N 3.43Å; S677-C679 PolarHBondContact O-N 3.35Å | ||
| 678 | S | 36.7 | Very low | 43.3 | Very low | 99 Ų | 99 | 122 Ų | 122 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | trans | -43.2 | 127.7 | 176.8 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | T680 | S678-T680 VanDerWaalsContact C-N 3.29Å; S678-T680 PolarHBondContact O-N 3.42Å | ||
| 679 | C | 38.8 | Very low | 45.5 | Very low | 124 Ų | 124 | 119.1 Ų | 119.1 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | trans | -67.2 | 86.1 | 169.9 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | S677 | S677-C679 PolarHBondContact O-N 3.35Š| ||
| 680 | T | 41.6 | Very low | 47.5 | Very low | 91 Ų | 91 | 118.7 Ų | 118.7 | 56% | 0.558 | 66% | 0.658 | S | S | * | * | trans | -87 | 112.7 | 166.3 | 25.9 | 0 | 0 | 0 | 0 | 108 | S678 P682 | S678-T680 VanDerWaalsContact C-N 3.29Å; S678-T680 PolarHBondContact O-N 3.42Å; T680-P682 CarbonylContact O-C 3.57Å | ||
| 681 | W | 38.4 | Very low | 49.9 | Very low | 193 Ų | 193 | 116.4 Ų | 116.4 | 73% | 0.731 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -83.9 | 135.3 | 167.8 | -125.4 | 85.3 | 0 | 0 | 0 | 109.2 | L692 | W681-L692 HydrophobicContact CZ2-CD2 3.91Š|
| 682 | P | 50.1 | Low | 52 | Low | 87 Ų | 87 | 112.2 Ų | 112.2 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | S | Bend | cis | -75.5 | 146.9 | -2.4 | 31.3 | -32.9 | 0 | 0 | 0 | 112.2 | T680 T684 | T680-P682 CarbonylContact O-C 3.57Å; P682-T684 PolarHBondContact O-N 2.97Å; P682-T684 VanDerWaalsContact O-N 3.13Å |
| 683 | P | 53.9 | Low | 54.2 | Low | 18 Ų | 18 | 109.2 Ų | 109.2 | 12% | 0.117 | 61% | 0.613 | C | S | . | * | P | Polyproline II helix | trans | -57.1 | 118.9 | 176.7 | 19.8 | -28.9 | 0 | 0 | 0 | 109.8 | D688 Q689 L692 | P683-D688 HydrophobicContact CB-CB 3.58Å; P683-Q689 HydrophobicContact CB-CG 4.08Å; P683-Q689 HydrophobicContact CG-CG 3.96Å; P683-Q689 VanDerWaalsContact O-CG 3.27Å; P683-Q689 WeakPolarHBondContact O-CG 3.49Å; P683-Q689 PolarHBondContact O-NE2 3.46Å; P683-L692 HydrophobicContact CG-CD2 4.35Å |
| 684 | T | 59.6 | Low | 56.6 | Low | 120 Ų | 120 | 104 Ų | 104 | 74% | 0.736 | 59% | 0.588 | S | S | * | * | trans | -93.5 | -21.7 | -178.4 | 41.3 | 0 | 0 | 0 | 0 | 112.4 | P682 | P682-T684 PolarHBondContact O-N 2.97Å; P682-T684 VanDerWaalsContact O-N 3.13Å | ||
| 685 | S | 70.9 | Confident | 58.9 | Low | 46 Ų | 46 | 103.4 Ų | 103.4 | 32% | 0.322 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -79.8 | 136 | 172.5 | 100.5 | 0 | 0 | 0 | 0 | 109.5 | E687 D688 Q689 | S685-E687 PolarHBondContact O-N 3.34Å; S685-D688 WeakPolarHBondContact CB-OD2 3.43Å; S685-D688 PolarHBondContact O-N 2.96Å; S685-D688 WeakPolarHBondContact OG-CB 3.48Å; S685-D688 PolarHBondContact OG-N 3.47Å; S685-D688 PolarHBondContact OG-OD2 3.46Å; S685-Q689 PolarHBondContact O-N 2.96Å; S685-Q689 VanDerWaalsContact O-N 3.07Å |
| 686 | V | 72.5 | Confident | 60.9 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 61% | 0.606 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.1 | -30.8 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | Q689 L690 | V686-Q689 PolarHBondContact O-N 2.95Å; V686-L690 HydrophobicContact CG1-CD1 4.08Å; V686-L690 HydrophobicContact CG1-CG 4.5Å; V686-L690 WeakPolarHBondContact O-CB 3.46Å; V686-L690 WeakPolarHBondContact O-CG 3.34Å; V686-L690 PolarHBondContact O-N 3.17Å |
| 687 | E | 74.4 | Confident | 63.4 | Low | 160 Ų | 160 | 92.2 Ų | 92.2 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.2 | -39.2 | 179.2 | -163.6 | 149.5 | -168.2 | 0 | 0 | 111.9 | S685 L690 A691 | S685-E687 PolarHBondContact O-N 3.34Å; E687-L690 PolarHBondContact O-N 3.03Å; E687-A691 WeakPolarHBondContact O-CB 3.44Å; E687-A691 PolarHBondContact O-N 3.41Å |
| 688 | D | 72.6 | Confident | 65.7 | Low | 83 Ų | 83 | 91.6 Ų | 91.6 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.4 | -35.4 | 174.1 | -62.6 | -45.5 | 0 | 0 | 0 | 112.3 | P683 S685 A691 L692 | P683-D688 HydrophobicContact CB-CB 3.58Å; S685-D688 WeakPolarHBondContact CB-OD2 3.43Å; S685-D688 PolarHBondContact O-N 2.96Å; S685-D688 WeakPolarHBondContact OG-CB 3.48Å; S685-D688 PolarHBondContact OG-N 3.47Å; S685-D688 PolarHBondContact OG-OD2 3.46Å; D688-A691 PolarHBondContact O-N 3.03Å; D688-L692 WeakPolarHBondContact O-CB 3.39Å; D688-L692 PolarHBondContact O-N 3.21Å |
| 689 | Q | 74.3 | Confident | 67.6 | Low | 103 Ų | 103 | 90.4 Ų | 90.4 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 172.7 | -72.5 | -176.3 | -14.7 | 0 | 0 | 111.7 | P683 S685 V686 L692 L693 | P683-Q689 HydrophobicContact CB-CG 4.08Å; P683-Q689 HydrophobicContact CG-CG 3.96Å; P683-Q689 VanDerWaalsContact O-CG 3.27Å; P683-Q689 WeakPolarHBondContact O-CG 3.49Å; P683-Q689 PolarHBondContact O-NE2 3.46Å; S685-Q689 PolarHBondContact O-N 2.96Å; S685-Q689 VanDerWaalsContact O-N 3.07Å; V686-Q689 PolarHBondContact O-N 2.95Å; Q689-L692 PolarHBondContact O-N 2.91Å; Q689-L693 WeakPolarHBondContact O-CB 3.4Å; Q689-L693 PolarHBondContact O-N 2.86Å |
| 690 | L | 71.7 | Confident | 69.8 | Low | 99 Ų | 99 | 87 Ų | 87 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 174.3 | -78.9 | 167.7 | 0 | 0 | 0 | 111.6 | V686 E687 L693 T694 | V686-L690 HydrophobicContact CG1-CD1 4.08Å; V686-L690 HydrophobicContact CG1-CG 4.5Å; V686-L690 WeakPolarHBondContact O-CB 3.46Å; V686-L690 WeakPolarHBondContact O-CG 3.34Å; V686-L690 PolarHBondContact O-N 3.17Å; E687-L690 PolarHBondContact O-N 3.03Å; L690-L693 PolarHBondContact O-N 3.09Å; L690-T694 VanDerWaalsContact O-CB 3.23Å; L690-T694 WeakPolarHBondContact O-CB 3.4Å; L690-T694 PolarHBondContact O-N 3.33Å; L690-T694 PolarHBondContact O-OG1 3.46Å |
| 691 | A | 76.4 | Confident | 71.9 | Confident | 58 Ų | 58 | 89.8 Ų | 89.8 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E687 D688 A695 | E687-A691 WeakPolarHBondContact O-CB 3.44Å; E687-A691 PolarHBondContact O-N 3.41Å; D688-A691 PolarHBondContact O-N 3.03Å; A691-A695 VanDerWaalsContact O-CB 3.25Å; A691-A695 WeakPolarHBondContact O-CB 3.2Å; A691-A695 PolarHBondContact O-N 2.97Å |
| 692 | L | 75 | Confident | 74.3 | Confident | 83 Ų | 83 | 84.3 Ų | 84.3 | 44% | 0.435 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 175.4 | -175.9 | 69.5 | 0 | 0 | 0 | 111.8 | W681 P683 D688 Q689 T694 A695 S696 | W681-L692 HydrophobicContact CZ2-CD2 3.91Å; P683-L692 HydrophobicContact CG-CD2 4.35Å; D688-L692 WeakPolarHBondContact O-CB 3.39Å; D688-L692 PolarHBondContact O-N 3.21Å; Q689-L692 PolarHBondContact O-N 2.91Å; L692-T694 VanDerWaalsContact C-N 3.33Å; L692-T694 PolarHBondContact O-N 3.11Å; L692-A695 PolarHBondContact O-N 2.87Å; L692-S696 WeakPolarHBondContact O-CB 3.47Å; L692-S696 PolarHBondContact O-N 3.2Å; L692-S696 PolarHBondContact O-OG 3.48Å |
| 693 | L | 74.2 | Confident | 76.1 | Confident | 109 Ų | 109 | 84 Ų | 84 | 57% | 0.571 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 177.9 | -169.1 | 71 | 0 | 0 | 0 | 110.4 | Q689 L690 A695 S696 E697 | Q689-L693 WeakPolarHBondContact O-CB 3.4Å; Q689-L693 PolarHBondContact O-N 2.86Å; L690-L693 PolarHBondContact O-N 3.09Å; L693-A695 PolarHBondContact O-N 2.66Å; L693-S696 WeakPolarHBondContact CA-OG 3.27Å; L693-S696 PolarHBondContact O-N 3.04Å; L693-S696 PolarHBondContact O-OG 3.24Å; L693-E697 WeakPolarHBondContact O-CB 3.43Å; L693-E697 PolarHBondContact O-N 3.49Å |
| 694 | T | 80.9 | Confident | 77.7 | Confident | 76 Ų | 76 | 88.6 Ų | 88.6 | 47% | 0.466 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.8 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | L690 L692 E697 V698 | L690-T694 VanDerWaalsContact O-CB 3.23Å; L690-T694 WeakPolarHBondContact O-CB 3.4Å; L690-T694 PolarHBondContact O-N 3.33Å; L690-T694 PolarHBondContact O-OG1 3.46Å; L692-T694 VanDerWaalsContact C-N 3.33Å; L692-T694 PolarHBondContact O-N 3.11Å; T694-E697 PolarHBondContact O-N 3.09Å; T694-V698 HydrophobicContact CG2-CG2 4.43Å; T694-V698 WeakPolarHBondContact O-CB 3.31Å; T694-V698 WeakPolarHBondContact O-CG2 3.46Å; T694-V698 PolarHBondContact O-N 3.1Å |
| 695 | A | 76.3 | Confident | 79.3 | Confident | 51 Ų | 51 | 87.1 Ų | 87.1 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A691 L692 L693 S699 | A691-A695 VanDerWaalsContact O-CB 3.25Å; A691-A695 WeakPolarHBondContact O-CB 3.2Å; A691-A695 PolarHBondContact O-N 2.97Å; L692-A695 PolarHBondContact O-N 2.87Å; L693-A695 PolarHBondContact O-N 2.66Å; A695-S699 WeakPolarHBondContact O-CB 3.34Å; A695-S699 PolarHBondContact O-N 3.19Å; A695-S699 PolarHBondContact O-OG 2.91Å |
| 696 | S | 74.5 | Confident | 80.3 | Confident | 60 Ų | 60 | 91.5 Ų | 91.5 | 42% | 0.42 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 175.2 | 74 | 0 | 0 | 0 | 0 | 111.7 | L692 L693 S699 A700 | L692-S696 WeakPolarHBondContact O-CB 3.47Å; L692-S696 PolarHBondContact O-N 3.2Å; L692-S696 PolarHBondContact O-OG 3.48Å; L693-S696 WeakPolarHBondContact CA-OG 3.27Å; L693-S696 PolarHBondContact O-N 3.04Å; L693-S696 PolarHBondContact O-OG 3.24Å; S696-S699 PolarHBondContact O-N 2.89Å; S696-A700 WeakPolarHBondContact O-CB 3.4Å; S696-A700 PolarHBondContact O-N 3.28Å |
| 697 | E | 80.9 | Confident | 81.3 | Confident | 90 Ų | 90 | 91.6 Ų | 91.6 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 175.3 | -174.1 | 179.2 | 168 | 0 | 0 | 111.3 | L693 T694 S699 A700 R701 | L693-E697 WeakPolarHBondContact O-CB 3.43Å; L693-E697 PolarHBondContact O-N 3.49Å; T694-E697 PolarHBondContact O-N 3.09Å; E697-S699 VanDerWaalsContact C-N 3.28Å; E697-S699 PolarHBondContact O-N 3.47Å; E697-A700 PolarHBondContact O-N 3.15Å; E697-R701 WeakPolarHBondContact O-CB 3.48Å; E697-R701 VanDerWaalsContact O-CG 3.3Å; E697-R701 WeakPolarHBondContact O-CG 3.24Å; E697-R701 PolarHBondContact O-N 2.99Å; E697-R701 IonicContact OE1-CZ 3.03Å; E697-R701 VanDerWaalsContact OE1-CZ 3.29Å; E697-R701 IonicContact OE1-NE 3.65Å; E697-R701 PolarHBondContact OE1-NE 3.26Å; E697-R701 IonicContact OE1-NH2 2.73Å; E697-R701 PolarHBondContact OE1-NH2 3.01Å |
| 698 | V | 85.6 | Confident | 82.3 | Confident | 73 Ų | 73 | 88.3 Ų | 88.3 | 44% | 0.442 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 174.3 | 170 | 0 | 0 | 0 | 0 | 110.7 | T694 R701 N702 | T694-V698 HydrophobicContact CG2-CG2 4.43Å; T694-V698 WeakPolarHBondContact O-CB 3.31Å; T694-V698 WeakPolarHBondContact O-CG2 3.46Å; T694-V698 PolarHBondContact O-N 3.1Å; V698-R701 PolarHBondContact O-N 3.4Å; V698-N702 WeakPolarHBondContact O-CB 3.35Å; V698-N702 PolarHBondContact O-N 2.99Å; V698-N702 PolarHBondContact O-ND2 2.92Å |
| 699 | S | 77.6 | Confident | 83.2 | Confident | 74 Ų | 74 | 88.9 Ų | 88.9 | 52% | 0.517 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 176.1 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | A695 S696 E697 N702 E703 | A695-S699 WeakPolarHBondContact O-CB 3.34Å; A695-S699 PolarHBondContact O-N 3.19Å; A695-S699 PolarHBondContact O-OG 2.91Å; S696-S699 PolarHBondContact O-N 2.89Å; E697-S699 VanDerWaalsContact C-N 3.28Å; E697-S699 PolarHBondContact O-N 3.47Å; S699-N702 PolarHBondContact O-N 2.89Å; S699-E703 PolarHBondContact O-N 2.92Å |
| 700 | A | 83.6 | Confident | 84.1 | Confident | 52 Ų | 52 | 87.7 Ų | 87.7 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S696 E697 N702 E703 I704 | S696-A700 WeakPolarHBondContact O-CB 3.4Å; S696-A700 PolarHBondContact O-N 3.28Å; E697-A700 PolarHBondContact O-N 3.15Å; A700-N702 VanDerWaalsContact C-N 3.34Å; A700-N702 PolarHBondContact O-N 2.91Å; A700-E703 PolarHBondContact O-N 2.89Å; A700-I704 WeakPolarHBondContact O-CG1 3.44Å; A700-I704 PolarHBondContact O-N 3.44Å |
| 701 | R | 86 | Confident | 85 | Confident | 151 Ų | 151 | 88.5 Ų | 88.5 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.9 | -41.6 | 174.8 | -73.9 | 176.2 | -178.5 | -126.3 | 5.8 | 111.8 | E697 V698 E703 I704 I705 | E697-R701 WeakPolarHBondContact O-CB 3.48Å; E697-R701 VanDerWaalsContact O-CG 3.3Å; E697-R701 WeakPolarHBondContact O-CG 3.24Å; E697-R701 PolarHBondContact O-N 2.99Å; E697-R701 IonicContact OE1-CZ 3.03Å; E697-R701 VanDerWaalsContact OE1-CZ 3.29Å; E697-R701 IonicContact OE1-NE 3.65Å; E697-R701 PolarHBondContact OE1-NE 3.26Å; E697-R701 IonicContact OE1-NH2 2.73Å; E697-R701 PolarHBondContact OE1-NH2 3.01Å; V698-R701 PolarHBondContact O-N 3.4Å; R701-E703 VanDerWaalsContact C-N 3.35Å; R701-I704 PolarHBondContact O-N 2.76Å; R701-I705 VanDerWaalsContact O-CG1 3.25Å; R701-I705 WeakPolarHBondContact O-CG1 3.39Å; R701-I705 PolarHBondContact O-N 2.94Å |
| 702 | N | 89.9 | Confident | 85.7 | Confident | 77 Ų | 77 | 88.5 Ų | 88.5 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 176.8 | -74.7 | -23.5 | 0 | 0 | 0 | 112.6 | V698 S699 A700 I705 R706 | V698-N702 WeakPolarHBondContact O-CB 3.35Å; V698-N702 PolarHBondContact O-N 2.99Å; V698-N702 PolarHBondContact O-ND2 2.92Å; S699-N702 PolarHBondContact O-N 2.89Å; A700-N702 VanDerWaalsContact C-N 3.34Å; A700-N702 PolarHBondContact O-N 2.91Å; N702-I705 PolarHBondContact O-N 3.29Å; N702-R706 PolarHBondContact O-N 3.32Å |
| 703 | E | 86.7 | Confident | 86.6 | Confident | 82 Ų | 82 | 87.6 Ų | 87.6 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 173.9 | -172.8 | 61.9 | -164.3 | 0 | 0 | 111.5 | S699 A700 R701 I705 R706 L707 | S699-E703 PolarHBondContact O-N 2.92Å; A700-E703 PolarHBondContact O-N 2.89Å; R701-E703 VanDerWaalsContact C-N 3.35Å; E703-I705 VanDerWaalsContact C-N 3.32Å; E703-I705 PolarHBondContact O-N 2.89Å; E703-R706 PolarHBondContact O-N 2.87Å; E703-R706 IonicContact OE2-CZ 3.42Å; E703-R706 IonicContact OE2-NE 3.67Å; E703-R706 PolarHBondContact OE2-NE 3.48Å; E703-R706 IonicContact OE2-NH2 2.65Å; E703-R706 PolarHBondContact OE2-NH2 3.36Å; E703-L707 HydrophobicContact CG-CD1 4.2Å; E703-L707 WeakPolarHBondContact O-CG 3.33Å; E703-L707 PolarHBondContact O-N 3.31Å |
| 704 | I | 89.1 | Confident | 87.5 | Confident | 113 Ų | 113 | 88.6 Ų | 88.6 | 58% | 0.579 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.2 | -42.5 | 174.5 | -68.9 | 166.1 | 0 | 0 | 0 | 111 | A700 R701 L707 N708 | A700-I704 WeakPolarHBondContact O-CG1 3.44Å; A700-I704 PolarHBondContact O-N 3.44Å; R701-I704 PolarHBondContact O-N 2.76Å; I704-L707 PolarHBondContact O-N 3.02Å; I704-N708 VanDerWaalsContact O-CB 3.31Å; I704-N708 WeakPolarHBondContact O-CB 3.5Å; I704-N708 PolarHBondContact O-N 2.85Å |
| 705 | I | 92.3 | Very high | 88.2 | Confident | 90 Ų | 90 | 91.6 Ų | 91.6 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 175.9 | -68.9 | 163.8 | 0 | 0 | 0 | 110.4 | R701 N702 E703 L707 N708 D709 | R701-I705 VanDerWaalsContact O-CG1 3.25Å; R701-I705 WeakPolarHBondContact O-CG1 3.39Å; R701-I705 PolarHBondContact O-N 2.94Å; N702-I705 PolarHBondContact O-N 3.29Å; E703-I705 VanDerWaalsContact C-N 3.32Å; E703-I705 PolarHBondContact O-N 2.89Å; I705-L707 VanDerWaalsContact C-N 3.33Å; I705-L707 PolarHBondContact O-N 2.9Å; I705-N708 PolarHBondContact O-N 3.24Å; I705-D709 PolarHBondContact O-N 3.37Å |
| 706 | R | 91.9 | Very high | 89 | Confident | 137 Ų | 137 | 95.2 Ų | 95.2 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.3 | -44 | 176.2 | -85.1 | -166.8 | -68.2 | -91.8 | 6.1 | 113 | N702 E703 D709 S710 | N702-R706 PolarHBondContact O-N 3.32Å; E703-R706 PolarHBondContact O-N 2.87Å; E703-R706 IonicContact OE2-CZ 3.42Å; E703-R706 IonicContact OE2-NE 3.67Å; E703-R706 PolarHBondContact OE2-NE 3.48Å; E703-R706 IonicContact OE2-NH2 2.65Å; E703-R706 PolarHBondContact OE2-NH2 3.36Å; R706-D709 PolarHBondContact O-N 3.25Å; R706-S710 WeakPolarHBondContact O-CB 3.34Å; R706-S710 PolarHBondContact O-N 3.08Å; R706-S710 PolarHBondContact O-OG 3.1Å |
| 707 | L | 93.6 | Very high | 90 | Very high | 103 Ų | 103 | 98.8 Ų | 98.8 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 178.6 | -72.1 | 170.8 | 0 | 0 | 0 | 111.2 | E703 I704 I705 S710 L711 | E703-L707 HydrophobicContact CG-CD1 4.2Å; E703-L707 WeakPolarHBondContact O-CG 3.33Å; E703-L707 PolarHBondContact O-N 3.31Å; I704-L707 PolarHBondContact O-N 3.02Å; I705-L707 VanDerWaalsContact C-N 3.33Å; I705-L707 PolarHBondContact O-N 2.9Å; L707-S710 PolarHBondContact O-N 3.19Å; L707-L711 WeakPolarHBondContact O-CB 3.44Å; L707-L711 PolarHBondContact O-N 3.49Å |
| 708 | N | 94.2 | Very high | 90.4 | Very high | 91 Ų | 91 | 97.1 Ų | 97.1 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 177.7 | -171.7 | 63.9 | 0 | 0 | 0 | 112.8 | I704 I705 L711 S712 | I704-N708 VanDerWaalsContact O-CB 3.31Å; I704-N708 WeakPolarHBondContact O-CB 3.5Å; I704-N708 PolarHBondContact O-N 2.85Å; I705-N708 PolarHBondContact O-N 3.24Å; N708-L711 PolarHBondContact O-N 3.02Å; N708-S712 WeakPolarHBondContact O-CB 3.5Å; N708-S712 PolarHBondContact O-N 2.76Å; N708-S712 PolarHBondContact O-OG 3.01Å |
| 709 | D | 93.3 | Very high | 90.8 | Very high | 95 Ų | 95 | 99.1 Ų | 99.1 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 173.6 | -70.5 | -17.6 | 0 | 0 | 0 | 110.9 | I705 R706 S712 S713 | I705-D709 PolarHBondContact O-N 3.37Å; R706-D709 PolarHBondContact O-N 3.25Å; D709-S712 PolarHBondContact O-N 2.87Å; D709-S713 WeakPolarHBondContact O-CB 3.31Å; D709-S713 PolarHBondContact O-N 3.11Å |
| 710 | S | 91.9 | Very high | 91.6 | Very high | 78 Ų | 78 | 103.4 Ų | 103.4 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | R706 L707 S713 F714 | R706-S710 WeakPolarHBondContact O-CB 3.34Å; R706-S710 PolarHBondContact O-N 3.08Å; R706-S710 PolarHBondContact O-OG 3.1Å; L707-S710 PolarHBondContact O-N 3.19Å; S710-S713 PolarHBondContact O-N 3.37Å; S710-F714 WeakPolarHBondContact O-CB 3.43Å; S710-F714 PolarHBondContact O-N 2.84Å |
| 711 | L | 90.2 | Very high | 91.9 | Very high | 116 Ų | 116 | 105.9 Ų | 105.9 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 175.3 | -167.9 | 78.6 | 0 | 0 | 0 | 111.6 | L707 N708 F714 K715 | L707-L711 WeakPolarHBondContact O-CB 3.44Å; L707-L711 PolarHBondContact O-N 3.49Å; N708-L711 PolarHBondContact O-N 3.02Å; L711-F714 PolarHBondContact O-N 3.42Å; L711-K715 WeakPolarHBondContact O-CB 3.3Å; L711-K715 PolarHBondContact O-N 3.49Å |
| 712 | S | 93 | Very high | 92.2 | Very high | 58 Ų | 58 | 105.4 Ų | 105.4 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 175.5 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | N708 D709 F714 K715 E716 | N708-S712 WeakPolarHBondContact O-CB 3.5Å; N708-S712 PolarHBondContact O-N 2.76Å; N708-S712 PolarHBondContact O-OG 3.01Å; D709-S712 PolarHBondContact O-N 2.87Å; S712-F714 PolarHBondContact O-N 3.42Å; S712-K715 PolarHBondContact O-N 2.99Å; S712-E716 PolarHBondContact O-N 3.23Å |
| 713 | S | 92.9 | Very high | 92.3 | Very high | 64 Ų | 64 | 105.5 Ų | 105.5 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 173.9 | -175.4 | 0 | 0 | 0 | 0 | 112 | D709 S710 E716 K717 | D709-S713 WeakPolarHBondContact O-CB 3.31Å; D709-S713 PolarHBondContact O-N 3.11Å; S710-S713 PolarHBondContact O-N 3.37Å; S713-E716 PolarHBondContact O-N 3.48Å; S713-K717 WeakPolarHBondContact O-CG 3.34Å; S713-K717 PolarHBondContact O-N 2.98Å |
| 714 | F | 93 | Very high | 92.5 | Very high | 130 Ų | 130 | 104.3 Ų | 104.3 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | 175.7 | -178.7 | -103.6 | 0 | 0 | 0 | 111.9 | S710 L711 S712 E716 K717 C718 | S710-F714 WeakPolarHBondContact O-CB 3.43Å; S710-F714 PolarHBondContact O-N 2.84Å; L711-F714 PolarHBondContact O-N 3.42Å; S712-F714 PolarHBondContact O-N 3.42Å; F714-E716 VanDerWaalsContact C-N 3.32Å; F714-E716 PolarHBondContact O-N 3.26Å; F714-K717 WeakPolarHBondContact O-CB 3.24Å; F714-K717 PolarHBondContact O-N 3.38Å; F714-C718 PolarHBondContact O-N 3.38Å; F714-C718 PolarHBondContact O-SG 3.15Å |
| 715 | K | 94.8 | Very high | 92.5 | Very high | 138 Ų | 138 | 103 Ų | 103 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -39.6 | 175.8 | -171.1 | 177.2 | -174.7 | 175.4 | 0 | 112.3 | L711 S712 C718 K719 | L711-K715 WeakPolarHBondContact O-CB 3.3Å; L711-K715 PolarHBondContact O-N 3.49Å; S712-K715 PolarHBondContact O-N 2.99Å; K715-C718 PolarHBondContact O-N 3.23Å; K715-K719 WeakPolarHBondContact O-CG 3.32Å; K715-K719 PolarHBondContact O-N 2.91Å |
| 716 | E | 94.2 | Very high | 92.4 | Very high | 127 Ų | 127 | 103.9 Ų | 103.9 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 175.2 | -161.9 | 72 | -166.8 | 0 | 0 | 111.2 | S712 S713 F714 C718 K719 R720 | S712-E716 PolarHBondContact O-N 3.23Å; S713-E716 PolarHBondContact O-N 3.48Å; F714-E716 VanDerWaalsContact C-N 3.32Å; F714-E716 PolarHBondContact O-N 3.26Å; E716-C718 PolarHBondContact O-N 2.77Å; E716-K719 PolarHBondContact O-N 3.44Å; E716-R720 PolarHBondContact O-N 2.91Å |
| 717 | K | 94.5 | Very high | 92.4 | Very high | 136 Ų | 136 | 102.5 Ų | 102.5 | 59% | 0.591 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 174.6 | -73.4 | 180 | -179.1 | -179.2 | 0 | 112.3 | S713 F714 R720 L721 | S713-K717 WeakPolarHBondContact O-CG 3.34Å; S713-K717 PolarHBondContact O-N 2.98Å; F714-K717 WeakPolarHBondContact O-CB 3.24Å; F714-K717 PolarHBondContact O-N 3.38Å; K717-R720 WeakPolarHBondContact O-CB 3.37Å; K717-R720 PolarHBondContact O-N 2.75Å; K717-L721 PolarHBondContact O-N 3.37Å |
| 718 | C | 90.1 | Very high | 92 | Very high | 55 Ų | 55 | 102.5 Ų | 102.5 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 175.7 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | F714 K715 E716 R720 L721 E722 | F714-C718 PolarHBondContact O-N 3.38Å; F714-C718 PolarHBondContact O-SG 3.15Å; K715-C718 PolarHBondContact O-N 3.23Å; E716-C718 PolarHBondContact O-N 2.77Å; C718-R720 VanDerWaalsContact C-N 3.29Å; C718-R720 PolarHBondContact O-N 2.95Å; C718-L721 PolarHBondContact O-N 3.02Å; C718-E722 WeakPolarHBondContact O-CB 3.44Å; C718-E722 PolarHBondContact O-N 3.12Å |
| 719 | K | 94.4 | Very high | 91.7 | Very high | 114 Ų | 114 | 105.8 Ų | 105.8 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -38 | 173.9 | -75.9 | -178.9 | 178.1 | 179.8 | 0 | 112.4 | K715 E716 E722 C723 | K715-K719 WeakPolarHBondContact O-CG 3.32Å; K715-K719 PolarHBondContact O-N 2.91Å; E716-K719 PolarHBondContact O-N 3.44Å; K719-E722 PolarHBondContact O-N 2.84Å; K719-C723 WeakPolarHBondContact O-CB 3.45Å; K719-C723 PolarHBondContact O-N 3.11Å |
| 720 | R | 93.9 | Very high | 91.4 | Very high | 164 Ų | 164 | 105.6 Ų | 105.6 | 62% | 0.619 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -48.4 | 176.9 | -171.3 | 70.7 | -166 | -161.9 | 0.2 | 111.2 | E716 K717 C718 E722 C723 D724 | E716-R720 PolarHBondContact O-N 2.91Å; K717-R720 WeakPolarHBondContact O-CB 3.37Å; K717-R720 PolarHBondContact O-N 2.75Å; C718-R720 VanDerWaalsContact C-N 3.29Å; C718-R720 PolarHBondContact O-N 2.95Å; R720-E722 VanDerWaalsContact C-N 3.3Å; R720-E722 PolarHBondContact O-N 3.49Å; R720-C723 WeakPolarHBondContact O-CB 3.31Å; R720-C723 PolarHBondContact O-N 3.32Å; R720-C723 VanDerWaalsContact O-N 3.15Å; R720-D724 IonicContact NE-OD1 3.2Å; R720-D724 VanDerWaalsContact O-CG 3.27Å; R720-D724 PolarHBondContact O-N 3.12Å |
| 721 | L | 89.5 | Confident | 91.1 | Very high | 104 Ų | 104 | 107 Ų | 107 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 176 | -77.4 | 167 | 0 | 0 | 0 | 112.5 | K717 C718 C723 D724 N725 | K717-L721 PolarHBondContact O-N 3.37Å; C718-L721 PolarHBondContact O-N 3.02Å; L721-C723 VanDerWaalsContact C-N 3.35Å; L721-D724 PolarHBondContact O-N 3.49Å; L721-N725 VanDerWaalsContact O-CB 3.31Å; L721-N725 WeakPolarHBondContact O-CB 3.48Å; L721-N725 VanDerWaalsContact O-CG 3.3Å; L721-N725 PolarHBondContact O-N 2.91Å; L721-N725 PolarHBondContact O-ND2 2.89Å |
| 722 | E | 92.8 | Very high | 90.5 | Very high | 141 Ų | 141 | 106.9 Ų | 106.9 | 66% | 0.659 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.4 | -38.7 | 175.6 | -163.5 | 169.6 | -147.7 | 0 | 0 | 111.7 | C718 K719 R720 Q726 | C718-E722 WeakPolarHBondContact O-CB 3.44Å; C718-E722 PolarHBondContact O-N 3.12Å; K719-E722 PolarHBondContact O-N 2.84Å; R720-E722 VanDerWaalsContact C-N 3.3Å; R720-E722 PolarHBondContact O-N 3.49Å; E722-Q726 WeakPolarHBondContact O-CB 3.43Å; E722-Q726 PolarHBondContact O-N 3.34Å |
| 723 | C | 91.3 | Very high | 89.9 | Confident | 80 Ų | 80 | 105.3 Ų | 105.3 | 54% | 0.541 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.7 | -44.9 | 175 | -156.1 | 0 | 0 | 0 | 0 | 112 | K719 R720 L721 Q726 Q727 | K719-C723 WeakPolarHBondContact O-CB 3.45Å; K719-C723 PolarHBondContact O-N 3.11Å; R720-C723 WeakPolarHBondContact O-CB 3.31Å; R720-C723 PolarHBondContact O-N 3.32Å; R720-C723 VanDerWaalsContact O-N 3.15Å; L721-C723 VanDerWaalsContact C-N 3.35Å; C723-Q726 PolarHBondContact O-N 3.45Å; C723-Q727 WeakPolarHBondContact O-CB 3.47Å; C723-Q727 PolarHBondContact O-N 2.82Å |
| 724 | D | 91.5 | Very high | 89.2 | Confident | 57 Ų | 57 | 107.2 Ų | 107.2 | 31% | 0.305 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 177.8 | -63.9 | -15.8 | 0 | 0 | 0 | 110.8 | R720 L721 Q727 L728 | R720-D724 IonicContact NE-OD1 3.2Å; R720-D724 VanDerWaalsContact O-CG 3.27Å; R720-D724 PolarHBondContact O-N 3.12Å; L721-D724 PolarHBondContact O-N 3.49Å; D724-Q727 WeakPolarHBondContact O-CB 3.24Å; D724-Q727 PolarHBondContact O-N 3.45Å; D724-L728 WeakPolarHBondContact O-CG 3.47Å; D724-L728 PolarHBondContact O-N 3.44Å |
| 725 | N | 88.4 | Confident | 87.6 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 173.7 | -80.5 | -30 | 0 | 0 | 0 | 112.1 | L721 Q727 L728 Y729 | L721-N725 VanDerWaalsContact O-CB 3.31Å; L721-N725 WeakPolarHBondContact O-CB 3.48Å; L721-N725 VanDerWaalsContact O-CG 3.3Å; L721-N725 PolarHBondContact O-N 2.91Å; L721-N725 PolarHBondContact O-ND2 2.89Å; N725-Q727 VanDerWaalsContact C-N 3.25Å; N725-Q727 PolarHBondContact O-N 2.89Å; N725-L728 PolarHBondContact O-N 2.98Å; N725-Y729 WeakPolarHBondContact O-CD2 3.38Å; N725-Y729 PolarHBondContact O-N 3.37Å |
| 726 | Q | 91 | Very high | 86.4 | Confident | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 175.1 | -172.3 | 61.7 | 41.9 | 0 | 0 | 111.1 | E722 C723 Y729 D730 | E722-Q726 WeakPolarHBondContact O-CB 3.43Å; E722-Q726 PolarHBondContact O-N 3.34Å; C723-Q726 PolarHBondContact O-N 3.45Å; Q726-Y729 PolarHBondContact O-N 2.93Å; Q726-D730 PolarHBondContact O-N 2.9Å |
| 727 | Q | 91.8 | Very high | 85.2 | Confident | 109 Ų | 109 | 105.1 Ų | 105.1 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 177.1 | -149.3 | 176.1 | 15.1 | 0 | 0 | 112 | C723 D724 N725 D730 Q731 | C723-Q727 WeakPolarHBondContact O-CB 3.47Å; C723-Q727 PolarHBondContact O-N 2.82Å; D724-Q727 WeakPolarHBondContact O-CB 3.24Å; D724-Q727 PolarHBondContact O-N 3.45Å; N725-Q727 VanDerWaalsContact C-N 3.25Å; N725-Q727 PolarHBondContact O-N 2.89Å; Q727-D730 PolarHBondContact O-N 3.45Å; Q727-Q731 WeakPolarHBondContact O-CB 3.44Å; Q727-Q731 VanDerWaalsContact O-CG 3.29Å; Q727-Q731 WeakPolarHBondContact O-CG 3.37Å; Q727-Q731 PolarHBondContact O-N 3.02Å |
| 728 | L | 86.2 | Confident | 83.5 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 172.3 | -73.4 | 175.3 | 0 | 0 | 0 | 111.6 | D724 N725 D730 Q731 L732 | D724-L728 WeakPolarHBondContact O-CG 3.47Å; D724-L728 PolarHBondContact O-N 3.44Å; N725-L728 PolarHBondContact O-N 2.98Å; L728-D730 VanDerWaalsContact C-N 3.33Å; L728-D730 PolarHBondContact O-N 2.94Å; L728-Q731 PolarHBondContact O-N 3.49Å; L728-L732 WeakPolarHBondContact O-CB 3.26Å; L728-L732 PolarHBondContact O-N 3.45Å |
| 729 | Y | 87.5 | Confident | 81.7 | Confident | 161 Ų | 161 | 106.4 Ų | 106.4 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 174.4 | -76.6 | -60.6 | 0 | 0 | 0 | 112.2 | N725 Q726 L732 A733 | N725-Y729 WeakPolarHBondContact O-CD2 3.38Å; N725-Y729 PolarHBondContact O-N 3.37Å; Q726-Y729 PolarHBondContact O-N 2.93Å; Y729-L732 PolarHBondContact O-N 3.25Å; Y729-A733 VanDerWaalsContact O-CB 3.3Å; Y729-A733 WeakPolarHBondContact O-CB 3.48Å; Y729-A733 PolarHBondContact O-N 3.42Å |
| 730 | D | 86.9 | Confident | 79.7 | Confident | 91 Ų | 91 | 110.1 Ų | 110.1 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 177.1 | -72.7 | -21.9 | 0 | 0 | 0 | 111.9 | Q726 Q727 L728 A733 H734 | Q726-D730 PolarHBondContact O-N 2.9Å; Q727-D730 PolarHBondContact O-N 3.45Å; L728-D730 VanDerWaalsContact C-N 3.33Å; L728-D730 PolarHBondContact O-N 2.94Å; D730-A733 PolarHBondContact O-N 2.94Å; D730-H734 WeakPolarHBondContact O-CB 3.44Å; D730-H734 PolarHBondContact O-N 3.14Å |
| 731 | Q | 86 | Confident | 77.4 | Confident | 107 Ų | 107 | 106.6 Ų | 106.6 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 173.3 | -75.3 | 178.1 | 27.1 | 0 | 0 | 111.6 | Q727 L728 A733 H734 C735 | Q727-Q731 WeakPolarHBondContact O-CB 3.44Å; Q727-Q731 VanDerWaalsContact O-CG 3.29Å; Q727-Q731 WeakPolarHBondContact O-CG 3.37Å; Q727-Q731 PolarHBondContact O-N 3.02Å; L728-Q731 PolarHBondContact O-N 3.49Å; Q731-A733 VanDerWaalsContact C-N 3.32Å; Q731-A733 PolarHBondContact O-N 3.34Å; Q731-H734 CarbonylContact O-C 3.6Å; Q731-H734 WeakPolarHBondContact O-CA 3.44Å; Q731-H734 WeakPolarHBondContact O-CB 3.37Å; Q731-H734 PolarHBondContact O-N 2.99Å; Q731-C735 PolarHBondContact O-N 3.08Å |
| 732 | L | 76.1 | Confident | 74.8 | Confident | 113 Ų | 113 | 105.6 Ų | 105.6 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62 | -43.7 | 177.6 | -144.6 | 111.4 | 0 | 0 | 0 | 110.5 | L728 Y729 H734 C735 E736 | L728-L732 WeakPolarHBondContact O-CB 3.26Å; L728-L732 PolarHBondContact O-N 3.45Å; Y729-L732 PolarHBondContact O-N 3.25Å; L732-H734 VanDerWaalsContact C-N 3.27Å; L732-H734 PolarHBondContact O-N 3.39Å; L732-C735 PolarHBondContact O-N 3.42Å; L732-E736 WeakPolarHBondContact O-CG 3.48Å; L732-E736 PolarHBondContact O-N 3.18Å |
| 733 | A | 81.6 | Confident | 71.9 | Confident | 25 Ų | 25 | 105.9 Ų | 105.9 | 21% | 0.207 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -64.1 | -32.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y729 D730 Q731 R737 | Y729-A733 VanDerWaalsContact O-CB 3.3Å; Y729-A733 WeakPolarHBondContact O-CB 3.48Å; Y729-A733 PolarHBondContact O-N 3.42Å; D730-A733 PolarHBondContact O-N 2.94Å; Q731-A733 VanDerWaalsContact C-N 3.32Å; Q731-A733 PolarHBondContact O-N 3.34Å; A733-R737 WeakPolarHBondContact O-CB 3.41Å; A733-R737 WeakPolarHBondContact O-CG 3.49Å; A733-R737 PolarHBondContact O-N 2.93Å; A733-R737 PolarHBondContact O-NH1 3.49Å |
| 734 | H | 77.1 | Confident | 69.3 | Low | 105 Ų | 105 | 107.9 Ų | 107.9 | 49% | 0.486 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.4 | -44.5 | 174.7 | -161.2 | -4 | 0 | 0 | 0 | 111.5 | D730 Q731 L732 E736 R737 N738 | D730-H734 WeakPolarHBondContact O-CB 3.44Å; D730-H734 PolarHBondContact O-N 3.14Å; Q731-H734 CarbonylContact O-C 3.6Å; Q731-H734 WeakPolarHBondContact O-CA 3.44Å; Q731-H734 WeakPolarHBondContact O-CB 3.37Å; Q731-H734 PolarHBondContact O-N 2.99Å; L732-H734 VanDerWaalsContact C-N 3.27Å; L732-H734 PolarHBondContact O-N 3.39Å; H734-E736 VanDerWaalsContact C-N 3.33Å; H734-E736 PolarHBondContact O-N 3.01Å; H734-R737 PolarHBondContact O-N 3.4Å; H734-N738 PolarHBondContact CE1-ND2 2.89Å; H734-N738 PolarHBondContact CE1-OD1 3.34Å; H734-N738 PolarHBondContact ND1-ND2 2.96Å; H734-N738 PolarHBondContact ND1-OD1 3.24Å; H734-N738 VanDerWaalsContact ND1-OD1 3.17Å; H734-N738 WeakPolarHBondContact O-CB 3.32Å; H734-N738 PolarHBondContact O-N 2.97Å; H734-N738 PolarHBondContact O-ND2 2.89Å; H734-N738 PolarHBondContact O-OD1 2.93Å |
| 735 | C | 60.7 | Low | 66.4 | Low | 76 Ų | 76 | 111.8 Ų | 111.8 | 51% | 0.514 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.7 | -45.6 | 172.2 | -75.1 | 0 | 0 | 0 | 0 | 111 | Q731 L732 R737 N738 L739 | Q731-C735 PolarHBondContact O-N 3.08Å; L732-C735 PolarHBondContact O-N 3.42Å; C735-R737 PolarHBondContact O-N 3.18Å; C735-N738 PolarHBondContact O-N 2.91Å; C735-L739 WeakPolarHBondContact O-CB 3.48Å; C735-L739 WeakPolarHBondContact O-CD1 3.36Å; C735-L739 WeakPolarHBondContact O-CG 3.19Å; C735-L739 PolarHBondContact O-N 3.43Å |
| 736 | E | 69.9 | Low | 63.7 | Low | 123 Ų | 123 | 111 Ų | 111 | 58% | 0.575 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.9 | -42.4 | 175.8 | -79.2 | -170 | 154 | 0 | 0 | 112.5 | L732 H734 L739 K740 | L732-E736 WeakPolarHBondContact O-CG 3.48Å; L732-E736 PolarHBondContact O-N 3.18Å; H734-E736 VanDerWaalsContact C-N 3.33Å; H734-E736 PolarHBondContact O-N 3.01Å; E736-L739 PolarHBondContact O-N 2.97Å; E736-K740 WeakPolarHBondContact O-CB 3.42Å; E736-K740 PolarHBondContact O-N 3.38Å |
| 737 | R | 68.8 | Low | 60.8 | Low | 151 Ų | 151 | 113.6 Ų | 113.6 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.7 | -35.7 | 175.9 | -75.3 | -176 | -147.3 | 92.2 | -5 | 112.7 | A733 H734 C735 K740 S741 | A733-R737 WeakPolarHBondContact O-CB 3.41Å; A733-R737 WeakPolarHBondContact O-CG 3.49Å; A733-R737 PolarHBondContact O-N 2.93Å; A733-R737 PolarHBondContact O-NH1 3.49Å; H734-R737 PolarHBondContact O-N 3.4Å; C735-R737 PolarHBondContact O-N 3.18Å; R737-K740 PolarHBondContact O-N 3.37Å; R737-S741 WeakPolarHBondContact O-CB 3.24Å; R737-S741 PolarHBondContact O-N 3.22Å; R737-S741 PolarHBondContact O-OG 3.01Å |
| 738 | N | 58.8 | Low | 58 | Low | 81 Ų | 81 | 117.3 Ų | 117.3 | 43% | 0.433 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.4 | -45.3 | 176.5 | -69.4 | -12.8 | 0 | 0 | 0 | 110 | H734 C735 K740 S741 S742 | H734-N738 PolarHBondContact CE1-ND2 2.89Å; H734-N738 PolarHBondContact CE1-OD1 3.34Å; H734-N738 PolarHBondContact ND1-ND2 2.96Å; H734-N738 PolarHBondContact ND1-OD1 3.24Å; H734-N738 VanDerWaalsContact ND1-OD1 3.17Å; H734-N738 WeakPolarHBondContact O-CB 3.32Å; H734-N738 PolarHBondContact O-N 2.97Å; H734-N738 PolarHBondContact O-ND2 2.89Å; H734-N738 PolarHBondContact O-OD1 2.93Å; C735-N738 PolarHBondContact O-N 2.91Å; N738-K740 VanDerWaalsContact C-N 3.29Å; N738-K740 PolarHBondContact O-N 3.32Å; N738-S741 PolarHBondContact O-N 2.9Å; N738-S741 PolarHBondContact O-OG 3.25Å; N738-S742 PolarHBondContact O-N 2.88Å; N738-S742 VanDerWaalsContact O-N 3.13Å; N738-S742 PolarHBondContact O-OG 3.4Å |
| 739 | L | 51.2 | Low | 55.5 | Low | 137 Ų | 137 | 121 Ų | 121 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -60.5 | -35.3 | 172 | -80.8 | 156 | 0 | 0 | 0 | 112.6 | C735 E736 | C735-L739 WeakPolarHBondContact O-CB 3.48Å; C735-L739 WeakPolarHBondContact O-CD1 3.36Å; C735-L739 WeakPolarHBondContact O-CG 3.19Å; C735-L739 PolarHBondContact O-N 3.43Å; E736-L739 PolarHBondContact O-N 2.97Å |
| 740 | K | 52.9 | Low | 52.9 | Low | 193 Ų | 193 | 121.9 Ų | 121.9 | 84% | 0.839 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.8 | -24.5 | 178.6 | -136.9 | 83 | 176.8 | -167.6 | 0 | 114 | E736 R737 N738 | E736-K740 WeakPolarHBondContact O-CB 3.42Å; E736-K740 PolarHBondContact O-N 3.38Å; R737-K740 PolarHBondContact O-N 3.37Å; N738-K740 VanDerWaalsContact C-N 3.29Å; N738-K740 PolarHBondContact O-N 3.32Å |
| 741 | S | 45 | Very low | 50.8 | Low | 90 Ų | 90 | 122 Ų | 122 | 63% | 0.629 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -101.7 | -13.9 | -173.3 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | R737 N738 N743 | R737-S741 WeakPolarHBondContact O-CB 3.24Å; R737-S741 PolarHBondContact O-N 3.22Å; R737-S741 PolarHBondContact O-OG 3.01Å; N738-S741 PolarHBondContact O-N 2.9Å; N738-S741 PolarHBondContact O-OG 3.25Å; S741-N743 PolarHBondContact O-N 3.23Å; S741-N743 VanDerWaalsContact O-N 3.1Å |
| 742 | S | 35.2 | Very low | 48.8 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 57% | 0.573 | 67% | 0.673 | S | S | * | * | trans | -81.7 | 88.6 | 171.6 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | N738 | N738-S742 PolarHBondContact O-N 2.88Å; N738-S742 VanDerWaalsContact O-N 3.13Å; N738-S742 PolarHBondContact O-OG 3.4Å | ||
| 743 | N | 32.1 | Very low | 47.6 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -58.4 | 129.8 | 162.1 | -95 | -46.4 | 0 | 0 | 0 | 109.3 | S741 T745 | S741-N743 PolarHBondContact O-N 3.23Å; S741-N743 VanDerWaalsContact O-N 3.1Å; N743-T745 PolarHBondContact O-N 2.9Å | ||
| 744 | P | 37.1 | Very low | 46 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -83.5 | 81.2 | -169.9 | 34 | -34 | 0 | 0 | 0 | 110.2 | ||
| 745 | T | 30.8 | Very low | 45.1 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 85% | 0.847 | 70% | 0.695 | S | S | * | * | trans | -141.9 | 99.4 | 169.2 | -47.2 | 0 | 0 | 0 | 0 | 110.3 | N743 | N743-T745 PolarHBondContact O-N 2.9Š| ||
| 746 | G | 31.1 | Very low | 45 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 127.7 | 100.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 747 | N | 31.2 | Very low | 44.6 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 87% | 0.866 | 70% | 0.699 | S | S | * | * | trans | 56.5 | 95.1 | 151.3 | -68.5 | -5 | 0 | 0 | 0 | 118.5 | Q749 | N747-Q749 PolarHBondContact O-N 2.92Š| ||
| 748 | L | 31.8 | Very low | 44.4 | Very low | 186 Ų | 186 | 121.8 Ų | 121.8 | 97% | 0.974 | 67% | 0.674 | S | S | * | * | trans | -58.4 | 103 | 158 | -81.6 | 85.8 | 0 | 0 | 0 | 109.6 | ||||
| 749 | Q | 33.4 | Very low | 44.9 | Very low | 181 Ų | 181 | 121.3 Ų | 121.3 | 85% | 0.846 | 68% | 0.677 | S | S | * | * | trans | -98.1 | 126.2 | 159.3 | -156.8 | 168.8 | -15 | 0 | 0 | 106.3 | N747 S751 | N747-Q749 PolarHBondContact O-N 2.92Å; Q749-S751 PolarHBondContact O-N 3.31Å | ||
| 750 | I | 34.3 | Very low | 45.9 | Very low | 178 Ų | 178 | 119.3 Ų | 119.3 | 91% | 0.913 | 67% | 0.667 | S | S | * | * | trans | -45 | 114.8 | -176.2 | -61.3 | 143.4 | 0 | 0 | 0 | 110.1 | ||||
| 751 | S | 41.3 | Very low | 46.9 | Very low | 93 Ų | 93 | 110.2 Ų | 110.2 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | trans | -123 | 108.1 | -171.6 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | Q749 D753 | Q749-S751 PolarHBondContact O-N 3.31Å; S751-D753 VanDerWaalsContact C-N 3.33Å; S751-D753 PolarHBondContact O-N 2.86Å | ||
| 752 | D | 44.7 | Very low | 48.3 | Very low | 110 Ų | 110 | 108.7 Ų | 108.7 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 45.2 | -19.3 | 145.3 | -68.9 | -17.3 | 0 | 0 | 0 | 124.5 | F754 V755 E756 | D752-F754 VanDerWaalsContact C-N 3.3Å; D752-F754 PolarHBondContact O-N 3.43Å; D752-V755 PolarHBondContact O-N 2.84Å; D752-E756 PolarHBondContact O-N 3.42Å |
| 753 | D | 51 | Low | 50.3 | Low | 122 Ų | 122 | 110.8 Ų | 110.8 | 65% | 0.652 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.7 | -30.5 | -174.7 | -77.9 | -2.2 | 0 | 0 | 0 | 113.2 | S751 L757 | S751-D753 VanDerWaalsContact C-N 3.33Å; S751-D753 PolarHBondContact O-N 2.86Å; D753-L757 PolarHBondContact O-N 3.41Å |
| 754 | F | 47.7 | Very low | 52.2 | Low | 129 Ų | 129 | 107 Ų | 107 | 57% | 0.566 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.6 | -29.5 | 178.5 | -167.4 | -99.7 | 0 | 0 | 0 | 112.8 | D752 S758 | D752-F754 VanDerWaalsContact C-N 3.3Å; D752-F754 PolarHBondContact O-N 3.43Å; F754-S758 WeakPolarHBondContact O-CB 3.44Å; F754-S758 PolarHBondContact O-N 3.13Å; F754-S758 PolarHBondContact O-OG 3.34Å |
| 755 | V | 57.6 | Low | 53.8 | Low | 88 Ų | 88 | 101.2 Ų | 101.2 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -77.9 | -35.7 | -178.6 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | D752 S759 | D752-V755 PolarHBondContact O-N 2.84Å; V755-S759 WeakPolarHBondContact O-CB 3.25Å; V755-S759 PolarHBondContact O-N 2.94Å; V755-S759 PolarHBondContact O-OG 3.37Å; V755-S759 VanDerWaalsContact O-OG 3.04Å |
| 756 | E | 59.7 | Low | 56.1 | Low | 139 Ų | 139 | 97 Ų | 97 | 65% | 0.65 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.3 | -42.8 | 176.7 | -72.4 | -166.2 | 168.3 | 0 | 0 | 112.2 | D752 S758 S759 L760 | D752-E756 PolarHBondContact O-N 3.42Å; E756-S758 VanDerWaalsContact C-N 3.35Å; E756-S758 PolarHBondContact O-N 2.74Å; E756-S759 PolarHBondContact O-N 3.22Å; E756-L760 WeakPolarHBondContact O-CB 3.48Å; E756-L760 PolarHBondContact O-N 2.88Å |
| 757 | L | 60.1 | Low | 57.8 | Low | 100 Ų | 100 | 98 Ų | 98 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 176 | -82.2 | 162.2 | 0 | 0 | 0 | 111.7 | D753 L760 A761 | D753-L757 PolarHBondContact O-N 3.41Å; L757-L760 PolarHBondContact O-N 2.8Å; L757-A761 WeakPolarHBondContact O-CB 3.37Å; L757-A761 PolarHBondContact O-N 3.43Å |
| 758 | S | 65.8 | Low | 59.5 | Low | 8 Ų | 8 | 92.5 Ų | 92.5 | 6% | 0.056 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | F754 E756 A761 Y762 W777 | F754-S758 WeakPolarHBondContact O-CB 3.44Å; F754-S758 PolarHBondContact O-N 3.13Å; F754-S758 PolarHBondContact O-OG 3.34Å; E756-S758 VanDerWaalsContact C-N 3.35Å; E756-S758 PolarHBondContact O-N 2.74Å; S758-A761 PolarHBondContact O-N 2.94Å; S758-Y762 PolarHBondContact O-N 3.4Å; S758-W777 WeakPolarHBondContact O-CH2 3.47Å; S758-W777 VanDerWaalsContact O-CZ2 3.3Å; S758-W777 WeakPolarHBondContact O-CZ2 3.26Å |
| 759 | S | 69.6 | Low | 61.2 | Low | 71 Ų | 71 | 86.6 Ų | 86.6 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 176.6 | -67.6 | 0 | 0 | 0 | 0 | 112.7 | V755 E756 Y762 Q763 | V755-S759 WeakPolarHBondContact O-CB 3.25Å; V755-S759 PolarHBondContact O-N 2.94Å; V755-S759 PolarHBondContact O-OG 3.37Å; V755-S759 VanDerWaalsContact O-OG 3.04Å; E756-S759 PolarHBondContact O-N 3.22Å; S759-Y762 PolarHBondContact O-N 3.27Å; S759-Q763 WeakPolarHBondContact O-CB 3.32Å; S759-Q763 PolarHBondContact O-N 3.32Å |
| 760 | L | 71.9 | Confident | 63.1 | Low | 95 Ų | 95 | 83.1 Ų | 83.1 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 175.6 | -176.7 | 65.4 | 0 | 0 | 0 | 110.8 | E756 L757 Q763 I764 | E756-L760 WeakPolarHBondContact O-CB 3.48Å; E756-L760 PolarHBondContact O-N 2.88Å; L757-L760 PolarHBondContact O-N 2.8Å; L760-Q763 WeakPolarHBondContact O-CB 3.36Å; L760-Q763 PolarHBondContact O-N 3.3Å; L760-I764 HydrophobicContact CG-CD1 4.1Å; L760-I764 VanDerWaalsContact O-CG1 3.3Å; L760-I764 WeakPolarHBondContact O-CG1 3.45Å; L760-I764 PolarHBondContact O-N 2.93Å |
| 761 | A | 74.4 | Confident | 64.6 | Low | 3 Ų | 3 | 82.7 Ų | 82.7 | 3% | 0.025 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L757 S758 Q763 I764 C765 W782 | L757-A761 WeakPolarHBondContact O-CB 3.37Å; L757-A761 PolarHBondContact O-N 3.43Å; S758-A761 PolarHBondContact O-N 2.94Å; A761-Q763 VanDerWaalsContact C-N 3.31Å; A761-Q763 PolarHBondContact O-N 2.99Å; A761-I764 PolarHBondContact O-N 3.19Å; A761-C765 PolarHBondContact O-N 3.17Å; A761-C765 PolarHBondContact O-SG 3.44Å; A761-W782 HydrophobicContact CB-CB 3.77Å; A761-W782 HydrophobicContact CB-CD2 3.37Å; A761-W782 HydrophobicContact CB-CE3 3.23Å; A761-W782 HydrophobicContact CB-CG 3.62Å; A761-W782 HydrophobicContact CB-CZ3 3.99Å |
| 762 | Y | 73.8 | Confident | 65.7 | Low | 57 Ų | 57 | 79.9 Ų | 79.9 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58 | -44.5 | 173.2 | -176.9 | -110.4 | 0 | 0 | 0 | 111.8 | S758 S759 I764 C765 V766 E774 W777 | S758-Y762 PolarHBondContact O-N 3.4Å; S759-Y762 PolarHBondContact O-N 3.27Å; Y762-I764 VanDerWaalsContact C-N 3.29Å; Y762-I764 PolarHBondContact O-N 3.41Å; Y762-C765 PolarHBondContact O-N 3.48Å; Y762-V766 HydrophobicContact CD1-CG2 4.04Å; Y762-V766 HydrophobicContact CD2-CG2 4.08Å; Y762-V766 HydrophobicContact CE1-CG2 3.65Å; Y762-V766 HydrophobicContact CE2-CG2 3.7Å; Y762-V766 HydrophobicContact CG-CG2 4.25Å; Y762-V766 VanDerWaalsContact CZ-CG2 3.47Å; Y762-V766 WeakPolarHBondContact O-CB 3.4Å; Y762-V766 VanDerWaalsContact O-CG2 3.31Å; Y762-V766 WeakPolarHBondContact O-CG2 3.47Å; Y762-V766 PolarHBondContact O-N 3.32Å; Y762-E774 WeakPolarHBondContact OH-CB 3.47Å; Y762-E774 PolarHBondContact OH-N 2.85Å; Y762-W777 HydrophobicContact CD2-CB 4.08Å; Y762-W777 AromaticContact CD2-CD1 3.85Å; Y762-W777 AromaticContact CD2-CD2 3.43Å; Y762-W777 HydrophobicContact CD2-CD2 3.43Å; Y762-W777 VanDerWaalsContact CD2-CD2 3.43Å; Y762-W777 AromaticContact CD2-CE2 3.79Å; Y762-W777 AromaticContact CD2-CE3 3.82Å; Y762-W777 HydrophobicContact CD2-CE3 3.82Å; Y762-W777 AromaticContact CD2-CG 3.5Å; Y762-W777 HydrophobicContact CD2-CG 3.5Å; Y762-W777 HydrophobicContact CD2-CZ2 4.46Å; Y762-W777 HydrophobicContact CD2-CZ3 4.44Å; Y762-W777 HydrophobicContact CE2-CB 3.99Å; Y762-W777 HydrophobicContact CE2-CD2 4.19Å; Y762-W777 HydrophobicContact CE2-CE3 4.49Å; Y762-W777 AromaticContact CE2-CG 3.93Å; Y762-W777 HydrophobicContact CE2-CG 3.93Å; Y762-W777 HydrophobicContact CG-CD2 4.19Å; Y762-W777 HydrophobicContact CG-CE3 4.34Å |
| 763 | Q | 76.1 | Confident | 66.6 | Low | 126 Ų | 126 | 77.3 Ų | 77.3 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.9 | -36.3 | 179 | -166 | 172.5 | 8.7 | 0 | 0 | 112.3 | S759 L760 A761 S767 | S759-Q763 WeakPolarHBondContact O-CB 3.32Å; S759-Q763 PolarHBondContact O-N 3.32Å; L760-Q763 WeakPolarHBondContact O-CB 3.36Å; L760-Q763 PolarHBondContact O-N 3.3Å; A761-Q763 VanDerWaalsContact C-N 3.31Å; A761-Q763 PolarHBondContact O-N 2.99Å; Q763-S767 VanDerWaalsContact O-CB 3.32Å; Q763-S767 WeakPolarHBondContact O-CB 3.34Å; Q763-S767 PolarHBondContact O-N 3.48Å; Q763-S767 VanDerWaalsContact O-N 3.11Å; Q763-S767 PolarHBondContact O-OG 2.91Å |
| 764 | I | 73.1 | Confident | 67.1 | Low | 69 Ų | 69 | 78.9 Ų | 78.9 | 35% | 0.354 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.4 | -46.5 | 173.9 | -63.2 | 166 | 0 | 0 | 0 | 110.3 | L760 A761 Y762 V766 S767 L768 L786 | L760-I764 HydrophobicContact CG-CD1 4.1Å; L760-I764 VanDerWaalsContact O-CG1 3.3Å; L760-I764 WeakPolarHBondContact O-CG1 3.45Å; L760-I764 PolarHBondContact O-N 2.93Å; A761-I764 PolarHBondContact O-N 3.19Å; Y762-I764 VanDerWaalsContact C-N 3.29Å; Y762-I764 PolarHBondContact O-N 3.41Å; I764-V766 PolarHBondContact O-N 3Å; I764-S767 WeakPolarHBondContact O-CB 3.49Å; I764-S767 PolarHBondContact O-N 3.31Å; I764-S767 VanDerWaalsContact O-N 3.09Å; I764-L768 HydrophobicContact CG2-CD1 3.8Å; I764-L768 HydrophobicContact CG2-CG 4.34Å; I764-L768 WeakPolarHBondContact O-CG 3.27Å; I764-L768 PolarHBondContact O-N 3.41Å; I764-L786 HydrophobicContact CB-CD1 4.15Å; I764-L786 HydrophobicContact CG2-CD1 3.39Å |
| 765 | C | 71.4 | Confident | 67.6 | Low | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 178.7 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | A761 Y762 S767 L768 D769 V772 L789 | A761-C765 PolarHBondContact O-N 3.17Å; A761-C765 PolarHBondContact O-SG 3.44Å; Y762-C765 PolarHBondContact O-N 3.48Å; C765-S767 PolarHBondContact O-N 3.37Å; C765-L768 PolarHBondContact O-N 3.01Å; C765-L768 VanDerWaalsContact O-N 3.09Å; C765-D769 PolarHBondContact O-N 2.91Å; C765-V772 HydrophobicContact CB-CG1 4.5Å; C765-L789 HydrophobicContact CB-CD1 3.76Å |
| 766 | V | 77.1 | Confident | 67.7 | Low | 49 Ų | 49 | 86 Ų | 86 | 30% | 0.297 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.3 | -30.9 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | Y762 I764 D769 P770 | Y762-V766 HydrophobicContact CD1-CG2 4.04Å; Y762-V766 HydrophobicContact CD2-CG2 4.08Å; Y762-V766 HydrophobicContact CE1-CG2 3.65Å; Y762-V766 HydrophobicContact CE2-CG2 3.7Å; Y762-V766 HydrophobicContact CG-CG2 4.25Å; Y762-V766 VanDerWaalsContact CZ-CG2 3.47Å; Y762-V766 WeakPolarHBondContact O-CB 3.4Å; Y762-V766 VanDerWaalsContact O-CG2 3.31Å; Y762-V766 WeakPolarHBondContact O-CG2 3.47Å; Y762-V766 PolarHBondContact O-N 3.32Å; I764-V766 PolarHBondContact O-N 3Å; V766-D769 CarbonylContact O-C 3.57Å; V766-P770 WeakPolarHBondContact O-CA 3.49Å |
| 767 | S | 67.4 | Low | 67.7 | Low | 93 Ų | 93 | 81 Ų | 81 | 65% | 0.65 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -75.2 | -26.4 | 175.7 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | Q763 I764 C765 | Q763-S767 VanDerWaalsContact O-CB 3.32Å; Q763-S767 WeakPolarHBondContact O-CB 3.34Å; Q763-S767 PolarHBondContact O-N 3.48Å; Q763-S767 VanDerWaalsContact O-N 3.11Å; Q763-S767 PolarHBondContact O-OG 2.91Å; I764-S767 WeakPolarHBondContact O-CB 3.49Å; I764-S767 PolarHBondContact O-N 3.31Å; I764-S767 VanDerWaalsContact O-N 3.09Å; C765-S767 PolarHBondContact O-N 3.37Å |
| 768 | L | 66.8 | Low | 68.1 | Low | 46 Ų | 46 | 79.2 Ų | 79.2 | 24% | 0.241 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -84.5 | -41.3 | -179.7 | -73.1 | 167.6 | 0 | 0 | 0 | 112.1 | I764 C765 L786 L789 L790 | I764-L768 HydrophobicContact CG2-CD1 3.8Å; I764-L768 HydrophobicContact CG2-CG 4.34Å; I764-L768 WeakPolarHBondContact O-CG 3.27Å; I764-L768 PolarHBondContact O-N 3.41Å; C765-L768 PolarHBondContact O-N 3.01Å; C765-L768 VanDerWaalsContact O-N 3.09Å; L768-L786 HydrophobicContact CD1-CD1 3.48Å; L768-L786 VanDerWaalsContact CD1-CD1 3.48Å; L768-L789 HydrophobicContact CB-CB 4.28Å; L768-L789 HydrophobicContact CB-CD1 4.39Å; L768-L789 HydrophobicContact CD1-CB 4.29Å; L768-L790 HydrophobicContact CD1-CD2 4.06Å; L768-L790 HydrophobicContact CD1-CG 4.09Å; L768-L790 HydrophobicContact CD2-CD2 4.14Å |
| 769 | D | 67.7 | Low | 68.3 | Low | 61 Ų | 61 | 81.4 Ų | 81.4 | 33% | 0.326 | 43% | 0.427 | S | S | . | . | trans | -138.7 | 111.7 | 169 | -177.7 | 1.6 | 0 | 0 | 0 | 109.8 | C765 V766 E771 V772 L789 | C765-D769 PolarHBondContact O-N 2.91Å; V766-D769 CarbonylContact O-C 3.57Å; D769-E771 PolarHBondContact O-N 2.99Å; D769-E771 VanDerWaalsContact O-N 3.12Å; D769-E771 WeakPolarHBondContact OD1-CB 3.35Å; D769-E771 PolarHBondContact OD1-N 3.33Å; D769-V772 HydrophobicContact CB-CG2 4.13Å; D769-V772 WeakPolarHBondContact O-CG2 3.21Å; D769-V772 PolarHBondContact O-N 3Å; D769-L789 HydrophobicContact CB-CD2 3.42Å; D769-L789 VanDerWaalsContact CB-CD2 3.42Å | ||
| 770 | P | 73.3 | Confident | 68.3 | Low | 109 Ų | 109 | 83.6 Ų | 83.6 | 71% | 0.708 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -7.3 | -179.9 | 26.4 | -32 | 0 | 0 | 0 | 113.9 | V766 V772 | V766-P770 WeakPolarHBondContact O-CA 3.49Å; P770-V772 VanDerWaalsContact C-N 3.34Å |
| 771 | E | 66.4 | Low | 68.2 | Low | 169 Ų | 169 | 82.7 Ų | 82.7 | 79% | 0.79 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -7.9 | 174.2 | -62.1 | -164.1 | 170.4 | 0 | 0 | 113.9 | D769 S773 | D769-E771 PolarHBondContact O-N 2.99Å; D769-E771 VanDerWaalsContact O-N 3.12Å; D769-E771 WeakPolarHBondContact OD1-CB 3.35Å; D769-E771 PolarHBondContact OD1-N 3.33Å; E771-S773 PolarHBondContact O-N 3.04Å |
| 772 | V | 65 | Low | 68.3 | Low | 34 Ų | 34 | 85.2 Ų | 85.2 | 21% | 0.206 | 44% | 0.438 | C | S | . | . | trans | -62.6 | 101.4 | 173.1 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | C765 D769 P770 L789 | C765-V772 HydrophobicContact CB-CG1 4.5Å; D769-V772 HydrophobicContact CB-CG2 4.13Å; D769-V772 WeakPolarHBondContact O-CG2 3.21Å; D769-V772 PolarHBondContact O-N 3Å; P770-V772 VanDerWaalsContact C-N 3.34Å; V772-L789 HydrophobicContact CG2-CD1 3.92Å; V772-L789 HydrophobicContact CG2-CD2 4.32Å | ||
| 773 | S | 62.9 | Low | 68.5 | Low | 55 Ų | 55 | 88.9 Ų | 88.9 | 39% | 0.385 | 46% | 0.457 | S | S | . | . | trans | -85.6 | 139.5 | 179.9 | 84.6 | 0 | 0 | 0 | 0 | 111.4 | E771 K775 E776 W777 | E771-S773 PolarHBondContact O-N 3.04Å; S773-K775 PolarHBondContact O-N 3.21Å; S773-E776 PolarHBondContact O-N 3.39Å; S773-E776 VanDerWaalsContact O-N 3.08Å; S773-W777 PolarHBondContact O-N 2.95Å | ||
| 774 | E | 61.1 | Low | 68.5 | Low | 155 Ų | 155 | 88 Ų | 88 | 72% | 0.724 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -16.8 | 178 | -156.2 | -179.4 | -167.2 | 0 | 0 | 113.9 | Y762 | Y762-E774 WeakPolarHBondContact OH-CB 3.47Å; Y762-E774 PolarHBondContact OH-N 2.85Å |
| 775 | K | 59.1 | Low | 68.6 | Low | 201 Ų | 201 | 87 Ų | 87 | 87% | 0.874 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -24.4 | -179.2 | -75.6 | -172.6 | 177 | 179.6 | 0 | 114.4 | S773 | S773-K775 PolarHBondContact O-N 3.21Š|
| 776 | E | 58.4 | Low | 68.8 | Low | 166 Ų | 166 | 88.3 Ų | 88.3 | 78% | 0.776 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -19.9 | 179.8 | -76.6 | 174.5 | 167 | 0 | 0 | 111.9 | S773 N778 | S773-E776 PolarHBondContact O-N 3.39Å; S773-E776 VanDerWaalsContact O-N 3.08Å; E776-N778 PolarHBondContact O-N 2.96Å |
| 777 | W | 60 | Low | 68.6 | Low | 34 Ų | 34 | 93 Ų | 93 | 13% | 0.129 | 47% | 0.473 | C | S | . | . | trans | -66 | 120.9 | 176 | -172.8 | 73.9 | 0 | 0 | 0 | 111.7 | S758 Y762 S773 P779 W782 E785 | S758-W777 WeakPolarHBondContact O-CH2 3.47Å; S758-W777 VanDerWaalsContact O-CZ2 3.3Å; S758-W777 WeakPolarHBondContact O-CZ2 3.26Å; Y762-W777 HydrophobicContact CD2-CB 4.08Å; Y762-W777 AromaticContact CD2-CD1 3.85Å; Y762-W777 AromaticContact CD2-CD2 3.43Å; Y762-W777 HydrophobicContact CD2-CD2 3.43Å; Y762-W777 VanDerWaalsContact CD2-CD2 3.43Å; Y762-W777 AromaticContact CD2-CE2 3.79Å; Y762-W777 AromaticContact CD2-CE3 3.82Å; Y762-W777 HydrophobicContact CD2-CE3 3.82Å; Y762-W777 AromaticContact CD2-CG 3.5Å; Y762-W777 HydrophobicContact CD2-CG 3.5Å; Y762-W777 HydrophobicContact CD2-CZ2 4.46Å; Y762-W777 HydrophobicContact CD2-CZ3 4.44Å; Y762-W777 HydrophobicContact CE2-CB 3.99Å; Y762-W777 HydrophobicContact CE2-CD2 4.19Å; Y762-W777 HydrophobicContact CE2-CE3 4.49Å; Y762-W777 AromaticContact CE2-CG 3.93Å; Y762-W777 HydrophobicContact CE2-CG 3.93Å; Y762-W777 HydrophobicContact CG-CD2 4.19Å; Y762-W777 HydrophobicContact CG-CE3 4.34Å; S773-W777 PolarHBondContact O-N 2.95Å; W777-P779 HydrophobicContact CE3-CB 4.41Å; W777-P779 HydrophobicContact CE3-CG 3.97Å; W777-P779 HydrophobicContact CH2-CB 3.78Å; W777-P779 HydrophobicContact CH2-CG 4.18Å; W777-P779 HydrophobicContact CZ3-CB 3.66Å; W777-P779 HydrophobicContact CZ3-CG 3.52Å; W777-W782 HydrophobicContact CZ2-CB 3.81Å; W777-E785 PolarHBondContact NE1-OE2 2.85Å | ||
| 778 | N | 68.6 | Low | 69.1 | Low | 62 Ų | 62 | 92.4 Ų | 92.4 | 33% | 0.332 | 47% | 0.465 | S | S | . | . | trans | -98.9 | 115.9 | 173.9 | -173.8 | 13 | 0 | 0 | 0 | 109.9 | E776 D780 D781 W782 E785 | E776-N778 PolarHBondContact O-N 2.96Å; N778-D780 PolarHBondContact O-N 3.42Å; N778-D780 PolarHBondContact OD1-N 3.49Å; N778-D781 HydrophobicContact CB-CB 4.26Å; N778-D781 PolarHBondContact ND2-OD2 2.94Å; N778-D781 PolarHBondContact O-N 2.85Å; N778-W782 PolarHBondContact O-N 3.46Å; N778-E785 PolarHBondContact N-OE1 2.85Å | ||
| 779 | P | 70.8 | Confident | 69.6 | Low | 54 Ų | 54 | 91.8 Ų | 91.8 | 35% | 0.351 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.6 | 178 | -17.2 | 23.6 | 0 | 0 | 0 | 113.9 | W777 W782 | W777-P779 HydrophobicContact CE3-CB 4.41Å; W777-P779 HydrophobicContact CE3-CG 3.97Å; W777-P779 HydrophobicContact CH2-CB 3.78Å; W777-P779 HydrophobicContact CH2-CG 4.18Å; W777-P779 HydrophobicContact CZ3-CB 3.66Å; W777-P779 HydrophobicContact CZ3-CG 3.52Å; P779-W782 VanDerWaalsContact O-CD1 3.26Å |
| 780 | D | 69.8 | Low | 70 | Confident | 117 Ų | 117 | 92.9 Ų | 92.9 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -19.1 | -179 | -66.5 | -28.6 | 0 | 0 | 0 | 113.1 | N778 | N778-D780 PolarHBondContact O-N 3.42Å; N778-D780 PolarHBondContact OD1-N 3.49Å |
| 781 | D | 68.2 | Low | 70.2 | Confident | 76 Ų | 76 | 93.3 Ų | 93.3 | 41% | 0.406 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -114 | 15.4 | -176.3 | -69.9 | -45.6 | 0 | 0 | 0 | 113.7 | N778 E783 I784 E785 | N778-D781 HydrophobicContact CB-CB 4.26Å; N778-D781 PolarHBondContact ND2-OD2 2.94Å; N778-D781 PolarHBondContact O-N 2.85Å; D781-E783 PolarHBondContact O-N 2.96Å; D781-I784 HydrophobicContact CB-CD1 4.41Å; D781-I784 WeakPolarHBondContact O-CB 3.38Å; D781-I784 PolarHBondContact O-N 2.93Å; D781-E785 PolarHBondContact O-N 3.18Å |
| 782 | W | 77.2 | Confident | 70.4 | Confident | 57 Ų | 57 | 90.9 Ų | 90.9 | 22% | 0.216 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -53.8 | -30.4 | -174.1 | 70.3 | -91.1 | 0 | 0 | 0 | 114.6 | A761 W777 N778 P779 I784 L786 | A761-W782 HydrophobicContact CB-CB 3.77Å; A761-W782 HydrophobicContact CB-CD2 3.37Å; A761-W782 HydrophobicContact CB-CE3 3.23Å; A761-W782 HydrophobicContact CB-CG 3.62Å; A761-W782 HydrophobicContact CB-CZ3 3.99Å; W777-W782 HydrophobicContact CZ2-CB 3.81Å; N778-W782 PolarHBondContact O-N 3.46Å; P779-W782 VanDerWaalsContact O-CD1 3.26Å; W782-I784 VanDerWaalsContact C-N 3.3Å; W782-I784 PolarHBondContact O-N 2.91Å; W782-L786 HydrophobicContact CE3-CD2 4.36Å; W782-L786 HydrophobicContact CZ3-CD2 4.04Å; W782-L786 VanDerWaalsContact O-CB 3.25Å; W782-L786 WeakPolarHBondContact O-CB 3.44Å; W782-L786 PolarHBondContact O-N 2.92Å |
| 783 | E | 78 | Confident | 70.7 | Confident | 134 Ų | 134 | 96.2 Ų | 96.2 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.6 | -36.9 | 176.6 | -74 | -173.6 | 178.6 | 0 | 0 | 111.9 | D781 F787 | D781-E783 PolarHBondContact O-N 2.96Å; E783-F787 VanDerWaalsContact O-CB 3.25Å; E783-F787 WeakPolarHBondContact O-CB 3.46Å; E783-F787 PolarHBondContact O-N 3.44Å |
| 784 | I | 75.4 | Confident | 70.6 | Confident | 107 Ų | 107 | 99.3 Ų | 99.3 | 55% | 0.549 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74.8 | -42.7 | -177.9 | -56 | 175.6 | 0 | 0 | 0 | 110 | D781 W782 F787 T788 | D781-I784 HydrophobicContact CB-CD1 4.41Å; D781-I784 WeakPolarHBondContact O-CB 3.38Å; D781-I784 PolarHBondContact O-N 2.93Å; W782-I784 VanDerWaalsContact C-N 3.3Å; W782-I784 PolarHBondContact O-N 2.91Å; I784-F787 PolarHBondContact O-N 2.7Å; I784-T788 WeakPolarHBondContact O-CG2 3.49Å; I784-T788 PolarHBondContact O-N 3.32Å; I784-T788 PolarHBondContact O-OG1 3.39Å |
| 785 | E | 75.8 | Confident | 70.6 | Confident | 48 Ų | 48 | 96.1 Ų | 96.1 | 22% | 0.224 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 177.1 | -72.1 | 161.1 | 167.5 | 0 | 0 | 111.3 | W777 N778 D781 T788 L789 | W777-E785 PolarHBondContact NE1-OE2 2.85Å; N778-E785 PolarHBondContact N-OE1 2.85Å; D781-E785 PolarHBondContact O-N 3.18Å; E785-T788 WeakPolarHBondContact CA-OG1 3.37Å; E785-T788 PolarHBondContact O-OG1 2.96Å; E785-L789 WeakPolarHBondContact O-CB 3.41Å; E785-L789 VanDerWaalsContact O-CG 3.3Å; E785-L789 WeakPolarHBondContact O-CG 3.3Å; E785-L789 PolarHBondContact O-N 3.42Å; E785-L789 VanDerWaalsContact O-N 3.1Å |
| 786 | L | 75.1 | Confident | 70.5 | Confident | 28 Ų | 28 | 90.1 Ų | 90.1 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 174.2 | -174.3 | 68.7 | 0 | 0 | 0 | 112 | I764 L768 W782 L789 L790 | I764-L786 HydrophobicContact CB-CD1 4.15Å; I764-L786 HydrophobicContact CG2-CD1 3.39Å; L768-L786 HydrophobicContact CD1-CD1 3.48Å; L768-L786 VanDerWaalsContact CD1-CD1 3.48Å; W782-L786 HydrophobicContact CE3-CD2 4.36Å; W782-L786 HydrophobicContact CZ3-CD2 4.04Å; W782-L786 VanDerWaalsContact O-CB 3.25Å; W782-L786 WeakPolarHBondContact O-CB 3.44Å; W782-L786 PolarHBondContact O-N 2.92Å; L786-L789 PolarHBondContact O-N 2.99Å; L786-L790 HydrophobicContact CD1-CD1 4.43Å; L786-L790 HydrophobicContact CG-CD1 4.05Å; L786-L790 WeakPolarHBondContact O-CB 3.42Å; L786-L790 WeakPolarHBondContact O-CG 3.25Å; L786-L790 PolarHBondContact O-N 3.36Å |
| 787 | F | 74.7 | Confident | 70.2 | Confident | 147 Ų | 147 | 89.4 Ų | 89.4 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | -179.8 | -166.8 | -89.4 | 0 | 0 | 0 | 112.1 | E783 I784 K791 | E783-F787 VanDerWaalsContact O-CB 3.25Å; E783-F787 WeakPolarHBondContact O-CB 3.46Å; E783-F787 PolarHBondContact O-N 3.44Å; I784-F787 PolarHBondContact O-N 2.7Å; F787-K791 HydrophobicContact CE1-CD 4.48Å; F787-K791 VanDerWaalsContact O-CB 3.24Å; F787-K791 WeakPolarHBondContact O-CB 3.43Å; F787-K791 PolarHBondContact O-N 3.37Å |
| 788 | T | 77.2 | Confident | 69.5 | Low | 80 Ų | 80 | 94.9 Ų | 94.9 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 176.4 | 44.9 | 0 | 0 | 0 | 0 | 112 | I784 E785 K791 D792 | I784-T788 WeakPolarHBondContact O-CG2 3.49Å; I784-T788 PolarHBondContact O-N 3.32Å; I784-T788 PolarHBondContact O-OG1 3.39Å; E785-T788 WeakPolarHBondContact CA-OG1 3.37Å; E785-T788 PolarHBondContact O-OG1 2.96Å; T788-K791 PolarHBondContact O-N 2.84Å; T788-D792 PolarHBondContact O-N 3.28Å |
| 789 | L | 77.3 | Confident | 68.2 | Low | 33 Ų | 33 | 97.6 Ų | 97.6 | 17% | 0.173 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.2 | -73.5 | 168.3 | 0 | 0 | 0 | 113.1 | C765 L768 D769 V772 E785 L786 K791 R793 | C765-L789 HydrophobicContact CB-CD1 3.76Å; L768-L789 HydrophobicContact CB-CB 4.28Å; L768-L789 HydrophobicContact CB-CD1 4.39Å; L768-L789 HydrophobicContact CD1-CB 4.29Å; D769-L789 HydrophobicContact CB-CD2 3.42Å; D769-L789 VanDerWaalsContact CB-CD2 3.42Å; V772-L789 HydrophobicContact CG2-CD1 3.92Å; V772-L789 HydrophobicContact CG2-CD2 4.32Å; E785-L789 WeakPolarHBondContact O-CB 3.41Å; E785-L789 VanDerWaalsContact O-CG 3.3Å; E785-L789 WeakPolarHBondContact O-CG 3.3Å; E785-L789 PolarHBondContact O-N 3.42Å; E785-L789 VanDerWaalsContact O-N 3.1Å; L786-L789 PolarHBondContact O-N 2.99Å; L789-K791 VanDerWaalsContact C-N 3.31Å; L789-K791 PolarHBondContact O-N 3.07Å; L789-R793 PolarHBondContact O-N 2.94Å |
| 790 | L | 76.3 | Confident | 66.8 | Low | 84 Ų | 84 | 102.8 Ų | 102.8 | 44% | 0.44 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 176.4 | -75.9 | 169.5 | 0 | 0 | 0 | 111.9 | L768 L786 R793 L794 | L768-L790 HydrophobicContact CD1-CD2 4.06Å; L768-L790 HydrophobicContact CD1-CG 4.09Å; L768-L790 HydrophobicContact CD2-CD2 4.14Å; L786-L790 HydrophobicContact CD1-CD1 4.43Å; L786-L790 HydrophobicContact CG-CD1 4.05Å; L786-L790 WeakPolarHBondContact O-CB 3.42Å; L786-L790 WeakPolarHBondContact O-CG 3.25Å; L786-L790 PolarHBondContact O-N 3.36Å; L790-R793 PolarHBondContact O-N 3.25Å; L790-L794 PolarHBondContact O-N 2.87Å |
| 791 | K | 76.6 | Confident | 65.7 | Low | 119 Ų | 119 | 102.3 Ų | 102.3 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | 179.9 | -173.9 | 170 | 178.3 | -174.7 | 0 | 112.2 | F787 T788 L789 R793 L794 D795 | F787-K791 HydrophobicContact CE1-CD 4.48Å; F787-K791 VanDerWaalsContact O-CB 3.24Å; F787-K791 WeakPolarHBondContact O-CB 3.43Å; F787-K791 PolarHBondContact O-N 3.37Å; T788-K791 PolarHBondContact O-N 2.84Å; L789-K791 VanDerWaalsContact C-N 3.31Å; L789-K791 PolarHBondContact O-N 3.07Å; K791-R793 PolarHBondContact O-N 2.94Å; K791-L794 PolarHBondContact O-N 3.23Å; K791-L794 VanDerWaalsContact O-N 3.14Å; K791-D795 PolarHBondContact O-N 2.94Å |
| 792 | D | 70.4 | Confident | 64.6 | Low | 118 Ų | 118 | 105.7 Ų | 105.7 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.7 | -35.2 | 176.8 | -106.8 | 19 | 0 | 0 | 0 | 112 | T788 S796 | T788-D792 PolarHBondContact O-N 3.28Å; D792-S796 VanDerWaalsContact O-CB 3.26Å; D792-S796 WeakPolarHBondContact O-CB 3.06Å; D792-S796 PolarHBondContact O-N 2.87Å; D792-S796 PolarHBondContact O-OG 2.93Å |
| 793 | R | 71.4 | Confident | 63.4 | Low | 146 Ų | 146 | 110.7 Ų | 110.7 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.3 | -40.7 | 174.3 | -172.9 | 162.7 | 175.9 | 152.1 | -2.5 | 112.6 | L789 L790 K791 D795 S796 E797 | L789-R793 PolarHBondContact O-N 2.94Å; L790-R793 PolarHBondContact O-N 3.25Å; K791-R793 PolarHBondContact O-N 2.94Å; R793-D795 VanDerWaalsContact C-N 3.34Å; R793-S796 PolarHBondContact O-N 3.21Å; R793-E797 WeakPolarHBondContact O-CB 3.44Å; R793-E797 PolarHBondContact O-N 3.14Å |
| 794 | L | 62.5 | Low | 61.8 | Low | 120 Ų | 120 | 110.1 Ų | 110.1 | 63% | 0.628 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.9 | -40 | 176.6 | -136.9 | 88.8 | 0 | 0 | 0 | 111.6 | L790 K791 | L790-L794 PolarHBondContact O-N 2.87Å; K791-L794 PolarHBondContact O-N 3.23Å; K791-L794 VanDerWaalsContact O-N 3.14Å |
| 795 | D | 60 | Low | 60.7 | Low | 88 Ų | 88 | 107.4 Ų | 107.4 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.3 | -31 | 177.4 | -72.2 | -28.8 | 0 | 0 | 0 | 111.5 | K791 R793 L798 | K791-D795 PolarHBondContact O-N 2.94Å; R793-D795 VanDerWaalsContact C-N 3.34Å; D795-L798 WeakPolarHBondContact O-CB 3.44Å; D795-L798 PolarHBondContact O-N 3.25Å |
| 796 | S | 57.2 | Low | 60.2 | Low | 74 Ų | 74 | 113.2 Ų | 113.2 | 52% | 0.517 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.7 | -38.4 | 174.7 | -64 | 0 | 0 | 0 | 0 | 112.9 | D792 R793 L798 T799 | D792-S796 VanDerWaalsContact O-CB 3.26Å; D792-S796 WeakPolarHBondContact O-CB 3.06Å; D792-S796 PolarHBondContact O-N 2.87Å; D792-S796 PolarHBondContact O-OG 2.93Å; R793-S796 PolarHBondContact O-N 3.21Å; S796-L798 PolarHBondContact O-N 2.94Å; S796-L798 VanDerWaalsContact O-N 3.12Å; S796-T799 PolarHBondContact O-N 3.15Å; S796-T799 VanDerWaalsContact O-N 3.09Å; S796-T799 PolarHBondContact O-OG1 3.4Å |
| 797 | E | 50.9 | Low | 59.8 | Low | 151 Ų | 151 | 114.7 Ų | 114.7 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -66.8 | -11.1 | 177.7 | -150.6 | 161.1 | -151.6 | 0 | 0 | 112.3 | R793 T799 | R793-E797 WeakPolarHBondContact O-CB 3.44Å; R793-E797 PolarHBondContact O-N 3.14Å; E797-T799 VanDerWaalsContact C-N 3.28Å; E797-T799 PolarHBondContact O-N 3.34Å |
| 798 | L | 45.3 | Very low | 59.3 | Low | 149 Ų | 149 | 111.8 Ų | 111.8 | 78% | 0.78 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -76.1 | -6.1 | 171.5 | -122.3 | 96.4 | 0 | 0 | 0 | 114.5 | D795 S796 | D795-L798 WeakPolarHBondContact O-CB 3.44Å; D795-L798 PolarHBondContact O-N 3.25Å; S796-L798 PolarHBondContact O-N 2.94Å; S796-L798 VanDerWaalsContact O-N 3.12Å |
| 799 | T | 42.9 | Very low | 59.2 | Low | 119 Ų | 119 | 112.5 Ų | 112.5 | 73% | 0.73 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -117.5 | 4.4 | -172.2 | 61 | 0 | 0 | 0 | 0 | 116.4 | S796 E797 | S796-T799 PolarHBondContact O-N 3.15Å; S796-T799 VanDerWaalsContact O-N 3.09Å; S796-T799 PolarHBondContact O-OG1 3.4Å; E797-T799 VanDerWaalsContact C-N 3.28Å; E797-T799 PolarHBondContact O-N 3.34Å |
| 800 | E | 41.6 | Very low | 59.2 | Low | 164 Ų | 164 | 118.4 Ų | 118.4 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -105.6 | 112.1 | 175.7 | -79.6 | -168.2 | 164.4 | 0 | 0 | 113.9 | ||
| 801 | T | 46.2 | Very low | 59 | Low | 107 Ų | 107 | 119 Ų | 119 | 66% | 0.656 | 62% | 0.62 | S | S | * | * | trans | 79.6 | 102.9 | 152.4 | 68.4 | 0 | 0 | 0 | 0 | 118.9 | D803 | T801-D803 PolarHBondContact O-N 3.04Š| ||
| 802 | D | 45.8 | Very low | 59 | Low | 146 Ų | 146 | 117 Ų | 117 | 78% | 0.781 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 6.6 | -176 | -132 | -9 | 0 | 0 | 0 | 117 | S805 | D802-S805 VanDerWaalsContact C-OG 3.28Å; D802-S805 PolarHBondContact O-OG 3.4Å |
| 803 | D | 50.1 | Low | 59.2 | Low | 162 Ų | 162 | 114.2 Ų | 114.2 | 87% | 0.866 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | -6.7 | -174.1 | -76.3 | -32.8 | 0 | 0 | 0 | 114.5 | T801 | T801-D803 PolarHBondContact O-N 3.04Š|
| 804 | Q | 45.8 | Very low | 59.7 | Low | 122 Ų | 122 | 112.8 Ų | 112.8 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -94.4 | -1 | 169.6 | -71.4 | -81.2 | -28.5 | 0 | 0 | 112.6 | E806 S807 V808 | Q804-E806 VanDerWaalsContact C-N 3.3Å; Q804-E806 PolarHBondContact O-N 3.02Å; Q804-S807 PolarHBondContact O-N 3.29Å; Q804-S807 VanDerWaalsContact O-N 3.16Å; Q804-V808 HydrophobicContact CB-CG2 4.27Å; Q804-V808 WeakPolarHBondContact O-CG2 3.35Å; Q804-V808 PolarHBondContact O-N 3.04Å |
| 805 | S | 51.8 | Low | 60.7 | Low | 50 Ų | 50 | 110.6 Ų | 110.6 | 35% | 0.35 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -52.8 | -41.7 | -171.6 | -40.5 | 0 | 0 | 0 | 0 | 112.9 | D802 V809 | D802-S805 VanDerWaalsContact C-OG 3.28Å; D802-S805 PolarHBondContact O-OG 3.4Å; S805-V809 WeakPolarHBondContact O-CB 3.34Å; S805-V809 WeakPolarHBondContact O-CG2 3.29Å; S805-V809 PolarHBondContact O-N 2.9Å |
| 806 | E | 64.2 | Low | 61.8 | Low | 170 Ų | 170 | 109 Ų | 109 | 79% | 0.794 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.4 | -39 | -176.7 | -160.6 | 176.6 | -171.1 | 0 | 0 | 112.5 | Q804 K810 | Q804-E806 VanDerWaalsContact C-N 3.3Å; Q804-E806 PolarHBondContact O-N 3.02Å; E806-K810 WeakPolarHBondContact O-CB 3.49Å; E806-K810 PolarHBondContact O-N 3.02Å |
| 807 | S | 67.4 | Low | 63.2 | Low | 60 Ų | 60 | 107.9 Ų | 107.9 | 42% | 0.42 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.8 | -46.3 | 175.7 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | Q804 K810 L811 | Q804-S807 PolarHBondContact O-N 3.29Å; Q804-S807 VanDerWaalsContact O-N 3.16Å; S807-K810 PolarHBondContact O-N 2.95Å; S807-L811 WeakPolarHBondContact O-CB 3.3Å; S807-L811 WeakPolarHBondContact O-CG 3.22Å; S807-L811 PolarHBondContact O-N 3.37Å |
| 808 | V | 65.1 | Low | 64.8 | Low | 86 Ų | 86 | 105.6 Ų | 105.6 | 52% | 0.521 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.6 | -40 | -179.8 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | Q804 S812 | Q804-V808 HydrophobicContact CB-CG2 4.27Å; Q804-V808 WeakPolarHBondContact O-CG2 3.35Å; Q804-V808 PolarHBondContact O-N 3.04Å; V808-S812 WeakPolarHBondContact O-CB 3.35Å; V808-S812 PolarHBondContact O-N 3.48Å |
| 809 | V | 73.5 | Confident | 66.8 | Low | 95 Ų | 95 | 107.5 Ų | 107.5 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.7 | -40.8 | 174.1 | 170 | 0 | 0 | 0 | 0 | 110.8 | S805 S812 A813 | S805-V809 WeakPolarHBondContact O-CB 3.34Å; S805-V809 WeakPolarHBondContact O-CG2 3.29Å; S805-V809 PolarHBondContact O-N 2.9Å; V809-S812 PolarHBondContact O-N 3.39Å; V809-A813 VanDerWaalsContact O-CB 3.3Å; V809-A813 WeakPolarHBondContact O-CB 3.49Å; V809-A813 PolarHBondContact O-N 3.45Å |
| 810 | K | 77.4 | Confident | 69.2 | Low | 156 Ų | 156 | 106 Ų | 106 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.3 | -44.5 | 178.3 | -162.2 | 173.9 | -172.5 | 177.9 | 0 | 112.1 | E806 S807 A813 E814 | E806-K810 WeakPolarHBondContact O-CB 3.49Å; E806-K810 PolarHBondContact O-N 3.02Å; S807-K810 PolarHBondContact O-N 2.95Å; K810-A813 PolarHBondContact O-N 2.89Å; K810-E814 WeakPolarHBondContact O-CB 3.42Å; K810-E814 PolarHBondContact O-N 3.41Å |
| 811 | L | 72.1 | Confident | 71.5 | Confident | 98 Ų | 98 | 102.9 Ų | 102.9 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66 | -38 | 173.6 | -73.5 | 170.4 | 0 | 0 | 0 | 111.8 | S807 E814 V815 | S807-L811 WeakPolarHBondContact O-CB 3.3Å; S807-L811 WeakPolarHBondContact O-CG 3.22Å; S807-L811 PolarHBondContact O-N 3.37Å; L811-E814 PolarHBondContact O-N 2.9Å; L811-V815 WeakPolarHBondContact O-CB 3.23Å; L811-V815 VanDerWaalsContact O-CG2 3.23Å; L811-V815 WeakPolarHBondContact O-CG2 3.22Å; L811-V815 PolarHBondContact O-N 3.27Å |
| 812 | S | 77.5 | Confident | 73.5 | Confident | 75 Ų | 75 | 103 Ų | 103 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -41 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | V808 V809 A816 | V808-S812 WeakPolarHBondContact O-CB 3.35Å; V808-S812 PolarHBondContact O-N 3.48Å; V809-S812 PolarHBondContact O-N 3.39Å; S812-A816 VanDerWaalsContact O-CB 3.27Å; S812-A816 WeakPolarHBondContact O-CB 3.48Å; S812-A816 PolarHBondContact O-N 3.47Å |
| 813 | A | 74.7 | Confident | 75.6 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 50% | 0.496 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V809 K810 A816 A817 | V809-A813 VanDerWaalsContact O-CB 3.3Å; V809-A813 WeakPolarHBondContact O-CB 3.49Å; V809-A813 PolarHBondContact O-N 3.45Å; K810-A813 PolarHBondContact O-N 2.89Å; A813-A816 PolarHBondContact O-N 3.38Å; A813-A817 WeakPolarHBondContact O-CB 3.46Å; A813-A817 PolarHBondContact O-N 2.83Å |
| 814 | E | 82.2 | Confident | 77.6 | Confident | 116 Ų | 116 | 95.8 Ų | 95.8 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 176.5 | -171.2 | 167.2 | -178.5 | 0 | 0 | 112.1 | K810 L811 A816 A817 L818 | K810-E814 WeakPolarHBondContact O-CB 3.42Å; K810-E814 PolarHBondContact O-N 3.41Å; L811-E814 PolarHBondContact O-N 2.9Å; E814-A816 VanDerWaalsContact C-N 3.34Å; E814-A816 PolarHBondContact O-N 3.41Å; E814-A817 PolarHBondContact O-N 3.47Å; E814-L818 WeakPolarHBondContact O-CB 3.38Å; E814-L818 WeakPolarHBondContact O-CG 3.43Å; E814-L818 PolarHBondContact O-N 3.33Å |
| 815 | V | 83.9 | Confident | 79.7 | Confident | 74 Ų | 74 | 95.2 Ų | 95.2 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 173.9 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L811 L818 R819 | L811-V815 WeakPolarHBondContact O-CB 3.23Å; L811-V815 VanDerWaalsContact O-CG2 3.23Å; L811-V815 WeakPolarHBondContact O-CG2 3.22Å; L811-V815 PolarHBondContact O-N 3.27Å; V815-L818 PolarHBondContact O-N 2.85Å; V815-R819 WeakPolarHBondContact O-CB 3.46Å; V815-R819 WeakPolarHBondContact O-CG 3.38Å; V815-R819 PolarHBondContact O-N 2.7Å |
| 816 | A | 81.9 | Confident | 81.4 | Confident | 56 Ų | 56 | 95.7 Ų | 95.7 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S812 A813 E814 R819 D820 | S812-A816 VanDerWaalsContact O-CB 3.27Å; S812-A816 WeakPolarHBondContact O-CB 3.48Å; S812-A816 PolarHBondContact O-N 3.47Å; A813-A816 PolarHBondContact O-N 3.38Å; E814-A816 VanDerWaalsContact C-N 3.34Å; E814-A816 PolarHBondContact O-N 3.41Å; A816-R819 PolarHBondContact O-N 3.16Å; A816-D820 PolarHBondContact O-N 3.08Å |
| 817 | A | 87.4 | Confident | 82.6 | Confident | 49 Ų | 49 | 91.4 Ų | 91.4 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A813 E814 D820 I821 | A813-A817 WeakPolarHBondContact O-CB 3.46Å; A813-A817 PolarHBondContact O-N 2.83Å; E814-A817 PolarHBondContact O-N 3.47Å; A817-D820 PolarHBondContact O-N 2.91Å; A817-I821 WeakPolarHBondContact O-CB 3.41Å; A817-I821 VanDerWaalsContact O-CG1 3.26Å; A817-I821 WeakPolarHBondContact O-CG1 3.35Å; A817-I821 PolarHBondContact O-N 3.09Å |
| 818 | L | 84.6 | Confident | 83.8 | Confident | 104 Ų | 104 | 95.1 Ų | 95.1 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 175.6 | -73.4 | 173.7 | 0 | 0 | 0 | 112.3 | E814 V815 L822 | E814-L818 WeakPolarHBondContact O-CB 3.38Å; E814-L818 WeakPolarHBondContact O-CG 3.43Å; E814-L818 PolarHBondContact O-N 3.33Å; V815-L818 PolarHBondContact O-N 2.85Å; L818-L822 VanDerWaalsContact O-CB 3.24Å; L818-L822 WeakPolarHBondContact O-CB 3.45Å; L818-L822 PolarHBondContact O-N 2.89Å |
| 819 | R | 87.8 | Confident | 85.1 | Confident | 189 Ų | 189 | 96.9 Ų | 96.9 | 71% | 0.713 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64 | -41 | 173.2 | -78.7 | -176.2 | -175.7 | -161.1 | 3.3 | 111.7 | V815 A816 L822 S823 | V815-R819 WeakPolarHBondContact O-CB 3.46Å; V815-R819 WeakPolarHBondContact O-CG 3.38Å; V815-R819 PolarHBondContact O-N 2.7Å; A816-R819 PolarHBondContact O-N 3.16Å; R819-L822 PolarHBondContact O-N 2.87Å; R819-S823 VanDerWaalsContact O-CB 3.3Å; R819-S823 WeakPolarHBondContact O-CB 3.43Å; R819-S823 PolarHBondContact O-N 3.15Å |
| 820 | D | 91.4 | Very high | 85.9 | Confident | 86 Ų | 86 | 94.5 Ų | 94.5 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -46.5 | 176.9 | -172.6 | 52.4 | 0 | 0 | 0 | 111.6 | A816 A817 L822 S823 Q824 | A816-D820 PolarHBondContact O-N 3.08Å; A817-D820 PolarHBondContact O-N 2.91Å; D820-L822 VanDerWaalsContact C-N 3.3Å; D820-L822 PolarHBondContact O-N 3.32Å; D820-S823 WeakPolarHBondContact O-CB 3.36Å; D820-S823 PolarHBondContact O-N 3.13Å; D820-S823 VanDerWaalsContact O-N 3.13Å; D820-Q824 WeakPolarHBondContact O-CB 3.47Å; D820-Q824 WeakPolarHBondContact O-CG 3.4Å; D820-Q824 PolarHBondContact O-N 3.47Å; D820-Q824 PolarHBondContact OD2-NE2 3.4Å |
| 821 | I | 89.7 | Confident | 86.5 | Confident | 99 Ų | 99 | 91.2 Ų | 91.2 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 173.9 | -68.8 | 165.3 | 0 | 0 | 0 | 110.9 | A817 Q824 H825 | A817-I821 WeakPolarHBondContact O-CB 3.41Å; A817-I821 VanDerWaalsContact O-CG1 3.26Å; A817-I821 WeakPolarHBondContact O-CG1 3.35Å; A817-I821 PolarHBondContact O-N 3.09Å; I821-Q824 PolarHBondContact O-N 3.09Å; I821-H825 VanDerWaalsContact O-CB 3.29Å; I821-H825 WeakPolarHBondContact O-CB 3.24Å; I821-H825 PolarHBondContact O-N 3.06Å |
| 822 | L | 89.1 | Confident | 87.4 | Confident | 110 Ų | 110 | 89.3 Ų | 89.3 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.6 | -38.2 | 177.7 | -173.9 | 64.4 | 0 | 0 | 0 | 111.9 | L818 R819 D820 T826 | L818-L822 VanDerWaalsContact O-CB 3.24Å; L818-L822 WeakPolarHBondContact O-CB 3.45Å; L818-L822 PolarHBondContact O-N 2.89Å; R819-L822 PolarHBondContact O-N 2.87Å; D820-L822 VanDerWaalsContact C-N 3.3Å; D820-L822 PolarHBondContact O-N 3.32Å; L822-T826 WeakPolarHBondContact O-CB 3.29Å; L822-T826 PolarHBondContact O-N 2.95Å; L822-T826 PolarHBondContact O-OG1 2.83Å |
| 823 | S | 90.6 | Very high | 88.1 | Confident | 70 Ų | 70 | 90.2 Ų | 90.2 | 49% | 0.49 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -50.7 | 173.1 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | R819 D820 H825 T826 T827 | R819-S823 VanDerWaalsContact O-CB 3.3Å; R819-S823 WeakPolarHBondContact O-CB 3.43Å; R819-S823 PolarHBondContact O-N 3.15Å; D820-S823 WeakPolarHBondContact O-CB 3.36Å; D820-S823 PolarHBondContact O-N 3.13Å; D820-S823 VanDerWaalsContact O-N 3.13Å; S823-H825 PolarHBondContact O-N 3.5Å; S823-T826 CarbonylContact O-C 3.56Å; S823-T826 WeakPolarHBondContact O-CA 3.36Å; S823-T826 WeakPolarHBondContact O-CB 3.14Å; S823-T826 PolarHBondContact O-N 3.03Å; S823-T826 VanDerWaalsContact O-N 3.09Å; S823-T827 PolarHBondContact O-N 2.97Å; S823-T827 PolarHBondContact O-OG1 3.06Å |
| 824 | Q | 91.7 | Very high | 88.9 | Confident | 87 Ų | 87 | 94.2 Ų | 94.2 | 41% | 0.407 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 176 | -71.2 | -175.6 | 45.8 | 0 | 0 | 111.6 | D820 I821 T826 T827 F828 | D820-Q824 WeakPolarHBondContact O-CB 3.47Å; D820-Q824 WeakPolarHBondContact O-CG 3.4Å; D820-Q824 PolarHBondContact O-N 3.47Å; D820-Q824 PolarHBondContact OD2-NE2 3.4Å; I821-Q824 PolarHBondContact O-N 3.09Å; Q824-T826 PolarHBondContact O-N 3.34Å; Q824-T827 VanDerWaalsContact C-OG1 3.28Å; Q824-T827 WeakPolarHBondContact CA-OG1 3.35Å; Q824-T827 PolarHBondContact O-N 3.34Å; Q824-T827 VanDerWaalsContact O-N 3.15Å; Q824-T827 PolarHBondContact O-OG1 3.24Å; Q824-F828 HydrophobicContact CB-CD2 4.47Å; Q824-F828 HydrophobicContact CB-CE2 4.33Å; Q824-F828 WeakPolarHBondContact O-CD2 3.44Å; Q824-F828 PolarHBondContact O-N 3.48Å |
| 825 | H | 90.1 | Very high | 89.4 | Confident | 110 Ų | 110 | 92.9 Ų | 92.9 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -31 | 178.4 | -157 | -63.7 | 0 | 0 | 0 | 112.2 | I821 S823 R829 | I821-H825 VanDerWaalsContact O-CB 3.29Å; I821-H825 WeakPolarHBondContact O-CB 3.24Å; I821-H825 PolarHBondContact O-N 3.06Å; S823-H825 PolarHBondContact O-N 3.5Å; H825-R829 VanDerWaalsContact O-CB 3.27Å; H825-R829 WeakPolarHBondContact O-CB 3.29Å; H825-R829 PolarHBondContact O-N 3.37Å |
| 826 | T | 87.2 | Confident | 89.8 | Confident | 59 Ų | 59 | 94.1 Ų | 94.1 | 36% | 0.362 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.2 | -41.6 | 173.2 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | L822 S823 Q824 R829 T830 | L822-T826 WeakPolarHBondContact O-CB 3.29Å; L822-T826 PolarHBondContact O-N 2.95Å; L822-T826 PolarHBondContact O-OG1 2.83Å; S823-T826 CarbonylContact O-C 3.56Å; S823-T826 WeakPolarHBondContact O-CA 3.36Å; S823-T826 WeakPolarHBondContact O-CB 3.14Å; S823-T826 PolarHBondContact O-N 3.03Å; S823-T826 VanDerWaalsContact O-N 3.09Å; Q824-T826 PolarHBondContact O-N 3.34Å; T826-R829 PolarHBondContact O-N 2.99Å; T826-T830 WeakPolarHBondContact O-CG2 3.32Å; T826-T830 PolarHBondContact O-N 2.86Å; T826-T830 PolarHBondContact O-OG1 3.36Å; T826-T830 VanDerWaalsContact O-OG1 3.08Å |
| 827 | T | 90.3 | Very high | 90.4 | Very high | 80 Ų | 80 | 98.3 Ų | 98.3 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 172.6 | 40.8 | 0 | 0 | 0 | 0 | 112.5 | S823 Q824 T830 Q831 | S823-T827 PolarHBondContact O-N 2.97Å; S823-T827 PolarHBondContact O-OG1 3.06Å; Q824-T827 VanDerWaalsContact C-OG1 3.28Å; Q824-T827 WeakPolarHBondContact CA-OG1 3.35Å; Q824-T827 PolarHBondContact O-N 3.34Å; Q824-T827 VanDerWaalsContact O-N 3.15Å; Q824-T827 PolarHBondContact O-OG1 3.24Å; T827-T830 PolarHBondContact O-N 2.95Å; T827-T830 PolarHBondContact O-OG1 3.2Å; T827-Q831 VanDerWaalsContact O-CB 3.29Å; T827-Q831 WeakPolarHBondContact O-CB 3.4Å; T827-Q831 PolarHBondContact O-N 3.02Å |
| 828 | F | 92.3 | Very high | 90.7 | Very high | 139 Ų | 139 | 102.1 Ų | 102.1 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 174.8 | -75.4 | -60.4 | 0 | 0 | 0 | 112 | Q824 Q831 A832 | Q824-F828 HydrophobicContact CB-CD2 4.47Å; Q824-F828 HydrophobicContact CB-CE2 4.33Å; Q824-F828 WeakPolarHBondContact O-CD2 3.44Å; Q824-F828 PolarHBondContact O-N 3.48Å; F828-Q831 PolarHBondContact O-N 3.39Å; F828-A832 WeakPolarHBondContact O-CB 3.42Å; F828-A832 PolarHBondContact O-N 3.48Å |
| 829 | R | 91.4 | Very high | 91.1 | Very high | 123 Ų | 123 | 101.9 Ų | 101.9 | 46% | 0.464 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -50.2 | 175.5 | -176.2 | -173.1 | -65.3 | 119.8 | -1 | 111.3 | H825 T826 Q831 A832 E833 | H825-R829 VanDerWaalsContact O-CB 3.27Å; H825-R829 WeakPolarHBondContact O-CB 3.29Å; H825-R829 PolarHBondContact O-N 3.37Å; T826-R829 PolarHBondContact O-N 2.99Å; R829-Q831 VanDerWaalsContact C-N 3.32Å; R829-Q831 PolarHBondContact O-N 3.39Å; R829-A832 PolarHBondContact O-N 3.46Å; R829-E833 WeakPolarHBondContact O-CG 3.39Å; R829-E833 PolarHBondContact O-N 3.5Å |
| 830 | T | 89.9 | Confident | 91.3 | Very high | 45 Ų | 45 | 97.8 Ų | 97.8 | 28% | 0.276 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -34.1 | -179.9 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | T826 T827 R834 | T826-T830 WeakPolarHBondContact O-CG2 3.32Å; T826-T830 PolarHBondContact O-N 2.86Å; T826-T830 PolarHBondContact O-OG1 3.36Å; T826-T830 VanDerWaalsContact O-OG1 3.08Å; T827-T830 PolarHBondContact O-N 2.95Å; T827-T830 PolarHBondContact O-OG1 3.2Å; T830-R834 WeakPolarHBondContact O-CG 3.39Å; T830-R834 PolarHBondContact O-N 2.87Å; T830-R834 PolarHBondContact O-NH1 3.27Å |
| 831 | Q | 91.7 | Very high | 91.4 | Very high | 86 Ų | 86 | 99.8 Ų | 99.8 | 40% | 0.402 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 173.1 | -176.5 | 55.8 | 39.7 | 0 | 0 | 111.4 | T827 F828 R829 E833 R834 D835 | T827-Q831 VanDerWaalsContact O-CB 3.29Å; T827-Q831 WeakPolarHBondContact O-CB 3.4Å; T827-Q831 PolarHBondContact O-N 3.02Å; F828-Q831 PolarHBondContact O-N 3.39Å; R829-Q831 VanDerWaalsContact C-N 3.32Å; R829-Q831 PolarHBondContact O-N 3.39Å; Q831-E833 VanDerWaalsContact C-N 3.28Å; Q831-E833 PolarHBondContact O-N 2.93Å; Q831-R834 WeakPolarHBondContact O-CB 3.41Å; Q831-R834 PolarHBondContact O-N 2.77Å; Q831-D835 VanDerWaalsContact NE2-CG 3.27Å; Q831-D835 PolarHBondContact NE2-OD1 2.97Å; Q831-D835 PolarHBondContact NE2-OD2 2.97Å; Q831-D835 PolarHBondContact O-N 3.3Å |
| 832 | A | 90.2 | Very high | 91.6 | Very high | 59 Ų | 59 | 97.9 Ų | 97.9 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F828 R829 D835 L836 | F828-A832 WeakPolarHBondContact O-CB 3.42Å; F828-A832 PolarHBondContact O-N 3.48Å; R829-A832 PolarHBondContact O-N 3.46Å; A832-D835 PolarHBondContact O-N 2.84Å; A832-L836 VanDerWaalsContact O-CB 3.27Å; A832-L836 WeakPolarHBondContact O-CB 3.47Å; A832-L836 PolarHBondContact O-N 3.15Å |
| 833 | E | 91.7 | Very high | 91.8 | Very high | 94 Ų | 94 | 95.7 Ų | 95.7 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 173.5 | -75.9 | 176.2 | -162.7 | 0 | 0 | 112.8 | R829 Q831 K837 | R829-E833 WeakPolarHBondContact O-CG 3.39Å; R829-E833 PolarHBondContact O-N 3.5Å; Q831-E833 VanDerWaalsContact C-N 3.28Å; Q831-E833 PolarHBondContact O-N 2.93Å; E833-K837 WeakPolarHBondContact O-CB 3.3Å; E833-K837 VanDerWaalsContact O-CG 3.25Å; E833-K837 WeakPolarHBondContact O-CG 3.24Å; E833-K837 PolarHBondContact O-N 3.31Å |
| 834 | R | 91.1 | Very high | 91.8 | Very high | 143 Ų | 143 | 97 Ų | 97 | 54% | 0.54 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 174.3 | -73.7 | -172.4 | -158 | 89.6 | 3.6 | 111.6 | T830 Q831 L836 K837 H838 | T830-R834 WeakPolarHBondContact O-CG 3.39Å; T830-R834 PolarHBondContact O-N 2.87Å; T830-R834 PolarHBondContact O-NH1 3.27Å; Q831-R834 WeakPolarHBondContact O-CB 3.41Å; Q831-R834 PolarHBondContact O-N 2.77Å; R834-L836 VanDerWaalsContact C-N 3.31Å; R834-L836 PolarHBondContact O-N 3.29Å; R834-K837 PolarHBondContact O-N 2.86Å; R834-H838 WeakPolarHBondContact O-CB 3.37Å; R834-H838 PolarHBondContact O-N 3.44Å |
| 835 | D | 93.2 | Very high | 91.9 | Very high | 89 Ų | 89 | 96.8 Ų | 96.8 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 179.4 | -66.4 | -24.5 | 0 | 0 | 0 | 111 | Q831 A832 H838 L839 | Q831-D835 VanDerWaalsContact NE2-CG 3.27Å; Q831-D835 PolarHBondContact NE2-OD1 2.97Å; Q831-D835 PolarHBondContact NE2-OD2 2.97Å; Q831-D835 PolarHBondContact O-N 3.3Å; A832-D835 PolarHBondContact O-N 2.84Å; D835-H838 PolarHBondContact O-N 2.86Å; D835-L839 WeakPolarHBondContact O-CB 3.36Å; D835-L839 PolarHBondContact O-N 2.88Å |
| 836 | L | 92.3 | Very high | 92.1 | Very high | 100 Ų | 100 | 96.7 Ų | 96.7 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 174.3 | -176.8 | 61.6 | 0 | 0 | 0 | 112.3 | A832 R834 H838 L839 L840 | A832-L836 VanDerWaalsContact O-CB 3.27Å; A832-L836 WeakPolarHBondContact O-CB 3.47Å; A832-L836 PolarHBondContact O-N 3.15Å; R834-L836 VanDerWaalsContact C-N 3.31Å; R834-L836 PolarHBondContact O-N 3.29Å; L836-H838 VanDerWaalsContact C-N 3.32Å; L836-H838 PolarHBondContact O-N 3.44Å; L836-L839 PolarHBondContact O-N 2.82Å; L836-L840 HydrophobicContact CG-CD1 4.22Å; L836-L840 WeakPolarHBondContact O-CB 3.48Å; L836-L840 WeakPolarHBondContact O-CG 3.48Å; L836-L840 PolarHBondContact O-N 2.92Å |
| 837 | K | 93.8 | Very high | 92.2 | Very high | 143 Ų | 143 | 98.7 Ų | 98.7 | 62% | 0.622 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 173.9 | -77 | 172.5 | -177.3 | 174.7 | 0 | 111.6 | E833 R834 L840 F841 | E833-K837 WeakPolarHBondContact O-CB 3.3Å; E833-K837 VanDerWaalsContact O-CG 3.25Å; E833-K837 WeakPolarHBondContact O-CG 3.24Å; E833-K837 PolarHBondContact O-N 3.31Å; R834-K837 PolarHBondContact O-N 2.86Å; K837-L840 PolarHBondContact O-N 2.92Å; K837-F841 WeakPolarHBondContact O-CB 3.3Å; K837-F841 PolarHBondContact O-N 3.4Å |
| 838 | H | 93.7 | Very high | 92.3 | Very high | 130 Ų | 130 | 98.7 Ų | 98.7 | 60% | 0.602 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.5 | -38.9 | 178 | -154.7 | -63.2 | 0 | 0 | 0 | 111.8 | R834 D835 L836 T842 | R834-H838 WeakPolarHBondContact O-CB 3.37Å; R834-H838 PolarHBondContact O-N 3.44Å; D835-H838 PolarHBondContact O-N 2.86Å; L836-H838 VanDerWaalsContact C-N 3.32Å; L836-H838 PolarHBondContact O-N 3.44Å; H838-T842 PolarHBondContact O-N 3.45Å; H838-T842 PolarHBondContact O-OG1 3.13Å |
| 839 | L | 94 | Very high | 92.3 | Very high | 98 Ų | 98 | 97.8 Ų | 97.8 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 174.6 | -175.5 | 65.7 | 0 | 0 | 0 | 111.5 | D835 L836 F841 T842 I843 | D835-L839 WeakPolarHBondContact O-CB 3.36Å; D835-L839 PolarHBondContact O-N 2.88Å; L836-L839 PolarHBondContact O-N 2.82Å; L839-F841 VanDerWaalsContact C-N 3.34Å; L839-F841 PolarHBondContact O-N 2.99Å; L839-T842 WeakPolarHBondContact O-CB 3.15Å; L839-T842 PolarHBondContact O-N 2.97Å; L839-I843 HydrophobicContact CD1-CD1 4.46Å; L839-I843 HydrophobicContact CG-CD1 4.05Å; L839-I843 WeakPolarHBondContact O-CG1 3.46Å; L839-I843 PolarHBondContact O-N 3.39Å |
| 840 | L | 92.5 | Very high | 92.3 | Very high | 104 Ų | 104 | 96.6 Ų | 96.6 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 176.2 | -77.6 | 167.4 | 0 | 0 | 0 | 112 | L836 K837 T842 I843 Q844 | L836-L840 HydrophobicContact CG-CD1 4.22Å; L836-L840 WeakPolarHBondContact O-CB 3.48Å; L836-L840 WeakPolarHBondContact O-CG 3.48Å; L836-L840 PolarHBondContact O-N 2.92Å; K837-L840 PolarHBondContact O-N 2.92Å; L840-T842 VanDerWaalsContact C-N 3.33Å; L840-T842 PolarHBondContact O-N 3.21Å; L840-I843 PolarHBondContact O-N 3.38Å; L840-Q844 WeakPolarHBondContact O-CB 3.44Å; L840-Q844 PolarHBondContact O-N 3.48Å |
| 841 | F | 93.7 | Very high | 92.3 | Very high | 128 Ų | 128 | 98.4 Ų | 98.4 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.4 | -40.4 | 175 | -177.1 | -98.9 | 0 | 0 | 0 | 112.2 | K837 L839 Q844 N845 | K837-F841 WeakPolarHBondContact O-CB 3.3Å; K837-F841 PolarHBondContact O-N 3.4Å; L839-F841 VanDerWaalsContact C-N 3.34Å; L839-F841 PolarHBondContact O-N 2.99Å; F841-Q844 PolarHBondContact O-N 3.45Å; F841-N845 WeakPolarHBondContact CE1-ND2 3.29Å; F841-N845 PolarHBondContact O-N 3.31Å |
| 842 | T | 93.7 | Very high | 92.4 | Very high | 58 Ų | 58 | 101.5 Ų | 101.5 | 36% | 0.356 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 176.9 | -53 | 0 | 0 | 0 | 0 | 111.3 | H838 L839 L840 Q844 N845 Q846 | H838-T842 PolarHBondContact O-N 3.45Å; H838-T842 PolarHBondContact O-OG1 3.13Å; L839-T842 WeakPolarHBondContact O-CB 3.15Å; L839-T842 PolarHBondContact O-N 2.97Å; L840-T842 VanDerWaalsContact C-N 3.33Å; L840-T842 PolarHBondContact O-N 3.21Å; T842-Q844 VanDerWaalsContact C-N 3.35Å; T842-N845 PolarHBondContact O-N 2.88Å; T842-Q846 WeakPolarHBondContact O-CG 3.25Å; T842-Q846 PolarHBondContact O-N 3.49Å |
| 843 | I | 92.4 | Very high | 92.3 | Very high | 64 Ų | 64 | 103.6 Ų | 103.6 | 33% | 0.328 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 175.8 | -68.8 | 168.3 | 0 | 0 | 0 | 110.7 | L839 L840 Q846 H847 | L839-I843 HydrophobicContact CD1-CD1 4.46Å; L839-I843 HydrophobicContact CG-CD1 4.05Å; L839-I843 WeakPolarHBondContact O-CG1 3.46Å; L839-I843 PolarHBondContact O-N 3.39Å; L840-I843 PolarHBondContact O-N 3.38Å; I843-Q846 WeakPolarHBondContact O-CB 3.45Å; I843-Q846 PolarHBondContact O-N 3.23Å; I843-H847 PolarHBondContact O-N 3.44Å |
| 844 | Q | 91.5 | Very high | 92.3 | Very high | 97 Ų | 97 | 105.6 Ų | 105.6 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 176.4 | -176.6 | 60.5 | 34.5 | 0 | 0 | 111.5 | L840 F841 T842 Q846 H847 D848 | L840-Q844 WeakPolarHBondContact O-CB 3.44Å; L840-Q844 PolarHBondContact O-N 3.48Å; F841-Q844 PolarHBondContact O-N 3.45Å; T842-Q844 VanDerWaalsContact C-N 3.35Å; Q844-Q846 VanDerWaalsContact C-N 3.27Å; Q844-Q846 PolarHBondContact O-N 3.36Å; Q844-H847 PolarHBondContact O-N 2.88Å; Q844-H847 VanDerWaalsContact O-N 3.15Å; Q844-D848 PolarHBondContact NE2-OD1 3.31Å; Q844-D848 VanDerWaalsContact O-CG 3.31Å; Q844-D848 PolarHBondContact O-N 3.35Å |
| 845 | N | 92.5 | Very high | 92.2 | Very high | 83 Ų | 83 | 104.9 Ų | 104.9 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | 175.8 | -86.9 | -12.2 | 0 | 0 | 0 | 112.7 | F841 T842 M849 | F841-N845 WeakPolarHBondContact CE1-ND2 3.29Å; F841-N845 PolarHBondContact O-N 3.31Å; T842-N845 PolarHBondContact O-N 2.88Å; N845-M849 WeakPolarHBondContact O-CB 3.33Å; N845-M849 PolarHBondContact O-N 3.45Å |
| 846 | Q | 94 | Very high | 92.1 | Very high | 109 Ų | 109 | 105.7 Ų | 105.7 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 175.1 | -73.4 | 178.4 | -36.6 | 0 | 0 | 111.6 | T842 I843 Q844 M849 I850 | T842-Q846 WeakPolarHBondContact O-CG 3.25Å; T842-Q846 PolarHBondContact O-N 3.49Å; I843-Q846 WeakPolarHBondContact O-CB 3.45Å; I843-Q846 PolarHBondContact O-N 3.23Å; Q844-Q846 VanDerWaalsContact C-N 3.27Å; Q844-Q846 PolarHBondContact O-N 3.36Å; Q846-M849 PolarHBondContact O-N 2.97Å; Q846-I850 VanDerWaalsContact O-CG1 3.28Å; Q846-I850 WeakPolarHBondContact O-CG1 3.42Å; Q846-I850 PolarHBondContact O-N 3.47Å |
| 847 | H | 91.3 | Very high | 92 | Very high | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 174.6 | -72.9 | 149.9 | 0 | 0 | 0 | 112.1 | I843 Q844 M849 I850 D851 | I843-H847 PolarHBondContact O-N 3.44Å; Q844-H847 PolarHBondContact O-N 2.88Å; Q844-H847 VanDerWaalsContact O-N 3.15Å; H847-M849 VanDerWaalsContact C-N 3.25Å; H847-M849 PolarHBondContact O-N 2.88Å; H847-I850 PolarHBondContact O-N 3.27Å; H847-I850 VanDerWaalsContact O-N 3.13Å; H847-D851 PolarHBondContact O-N 3.42Å |
| 848 | D | 92.4 | Very high | 91.7 | Very high | 80 Ų | 80 | 106.3 Ų | 106.3 | 43% | 0.428 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.1 | -37.9 | 178 | -66 | -19.7 | 0 | 0 | 0 | 111.5 | Q844 D851 K852 | Q844-D848 PolarHBondContact NE2-OD1 3.31Å; Q844-D848 VanDerWaalsContact O-CG 3.31Å; Q844-D848 PolarHBondContact O-N 3.35Å; D848-D851 PolarHBondContact O-N 2.93Å; D848-K852 WeakPolarHBondContact O-CB 3.3Å; D848-K852 PolarHBondContact O-N 2.99Å |
| 849 | M | 91.5 | Very high | 91.2 | Very high | 119 Ų | 119 | 106.9 Ų | 106.9 | 59% | 0.586 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.2 | -39.5 | 175.8 | -174.6 | 151.2 | 54.5 | 0 | 0 | 112.6 | N845 Q846 H847 D851 K852 L853 | N845-M849 WeakPolarHBondContact O-CB 3.33Å; N845-M849 PolarHBondContact O-N 3.45Å; Q846-M849 PolarHBondContact O-N 2.97Å; H847-M849 VanDerWaalsContact C-N 3.25Å; H847-M849 PolarHBondContact O-N 2.88Å; M849-D851 VanDerWaalsContact C-N 3.34Å; M849-K852 WeakPolarHBondContact O-CB 3.33Å; M849-K852 PolarHBondContact O-N 3.28Å; M849-L853 HydrophobicContact CG-CD1 4.49Å; M849-L853 WeakPolarHBondContact O-CG 3.36Å; M849-L853 PolarHBondContact O-N 2.93Å |
| 850 | I | 90.5 | Very high | 90.5 | Very high | 99 Ų | 99 | 107.3 Ų | 107.3 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 173.4 | -71.4 | 165.3 | 0 | 0 | 0 | 110.3 | Q846 H847 K852 L853 K854 | Q846-I850 VanDerWaalsContact O-CG1 3.28Å; Q846-I850 WeakPolarHBondContact O-CG1 3.42Å; Q846-I850 PolarHBondContact O-N 3.47Å; H847-I850 PolarHBondContact O-N 3.27Å; H847-I850 VanDerWaalsContact O-N 3.13Å; I850-K852 VanDerWaalsContact C-N 3.34Å; I850-K852 PolarHBondContact O-N 3.18Å; I850-L853 PolarHBondContact O-N 2.87Å; I850-K854 VanDerWaalsContact O-CB 3.28Å; I850-K854 WeakPolarHBondContact O-CB 3.27Å; I850-K854 PolarHBondContact O-N 3.24Å |
| 851 | D | 91.3 | Very high | 90 | Very high | 83 Ų | 83 | 107.3 Ų | 107.3 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 177.6 | -79.7 | -24 | 0 | 0 | 0 | 112 | H847 D848 M849 K854 M855 | H847-D851 PolarHBondContact O-N 3.42Å; D848-D851 PolarHBondContact O-N 2.93Å; M849-D851 VanDerWaalsContact C-N 3.34Å; D851-K854 PolarHBondContact O-N 3.35Å; D851-M855 PolarHBondContact O-N 2.96Å |
| 852 | K | 93.5 | Very high | 89.1 | Confident | 151 Ų | 151 | 105.1 Ų | 105.1 | 66% | 0.657 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.2 | -48.1 | 172.5 | -160 | -174.2 | -162.8 | -148 | 0 | 111.8 | D848 M849 I850 K854 M855 E856 | D848-K852 WeakPolarHBondContact O-CB 3.3Å; D848-K852 PolarHBondContact O-N 2.99Å; M849-K852 WeakPolarHBondContact O-CB 3.33Å; M849-K852 PolarHBondContact O-N 3.28Å; I850-K852 VanDerWaalsContact C-N 3.34Å; I850-K852 PolarHBondContact O-N 3.18Å; K852-K854 VanDerWaalsContact C-N 3.3Å; K852-K854 PolarHBondContact O-N 3.01Å; K852-M855 PolarHBondContact O-N 2.87Å; K852-E856 WeakPolarHBondContact O-CB 3.4Å; K852-E856 PolarHBondContact O-N 3.38Å |
| 853 | L | 88.7 | Confident | 88.2 | Confident | 103 Ų | 103 | 106.2 Ų | 106.2 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 177 | -72.3 | 171.6 | 0 | 0 | 0 | 111.9 | M849 I850 E856 K857 | M849-L853 HydrophobicContact CG-CD1 4.49Å; M849-L853 WeakPolarHBondContact O-CG 3.36Å; M849-L853 PolarHBondContact O-N 2.93Å; I850-L853 PolarHBondContact O-N 2.87Å; L853-E856 PolarHBondContact O-N 3.31Å; L853-K857 WeakPolarHBondContact O-CB 3.49Å; L853-K857 PolarHBondContact O-N 3.17Å |
| 854 | K | 91.7 | Very high | 86.8 | Confident | 136 Ų | 136 | 108.2 Ų | 108.2 | 59% | 0.591 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 176 | -171.7 | -178.5 | 177.5 | -174.9 | 0 | 111.6 | I850 D851 K852 Q858 | I850-K854 VanDerWaalsContact O-CB 3.28Å; I850-K854 WeakPolarHBondContact O-CB 3.27Å; I850-K854 PolarHBondContact O-N 3.24Å; D851-K854 PolarHBondContact O-N 3.35Å; K852-K854 VanDerWaalsContact C-N 3.3Å; K852-K854 PolarHBondContact O-N 3.01Å; K854-Q858 WeakPolarHBondContact O-CB 3.35Å; K854-Q858 PolarHBondContact O-N 3.04Å |
| 855 | M | 89 | Confident | 85.5 | Confident | 128 Ų | 128 | 106.7 Ų | 106.7 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63 | -45 | 172.7 | -98.6 | -169.2 | -77.8 | 0 | 0 | 111.7 | D851 K852 K857 Q858 Q859 | D851-M855 PolarHBondContact O-N 2.96Å; K852-M855 PolarHBondContact O-N 2.87Å; M855-K857 VanDerWaalsContact C-N 3.34Å; M855-K857 PolarHBondContact O-N 2.82Å; M855-Q858 PolarHBondContact O-N 3.39Å; M855-Q858 VanDerWaalsContact O-N 3.14Å; M855-Q859 WeakPolarHBondContact O-CB 3.3Å; M855-Q859 PolarHBondContact O-N 3.17Å |
| 856 | E | 90.2 | Very high | 83.9 | Confident | 106 Ų | 106 | 104.5 Ų | 104.5 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 179.6 | -165.1 | 172.4 | -166.3 | 0 | 0 | 111.4 | K852 L853 Q858 Q859 L860 | K852-E856 WeakPolarHBondContact O-CB 3.4Å; K852-E856 PolarHBondContact O-N 3.38Å; L853-E856 PolarHBondContact O-N 3.31Å; E856-Q858 PolarHBondContact O-N 3.44Å; E856-Q859 WeakPolarHBondContact O-CB 3.07Å; E856-Q859 PolarHBondContact O-N 3.17Å; E856-L860 WeakPolarHBondContact O-CG 3.35Å; E856-L860 PolarHBondContact O-N 3.3Å |
| 857 | K | 89.7 | Confident | 82 | Confident | 126 Ų | 126 | 105.3 Ų | 105.3 | 55% | 0.548 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 170.3 | 177.5 | -174.5 | 166.8 | -176.7 | 0 | 111.7 | L853 M855 Q859 L860 E861 | L853-K857 WeakPolarHBondContact O-CB 3.49Å; L853-K857 PolarHBondContact O-N 3.17Å; M855-K857 VanDerWaalsContact C-N 3.34Å; M855-K857 PolarHBondContact O-N 2.82Å; K857-Q859 VanDerWaalsContact C-N 3.28Å; K857-Q859 PolarHBondContact O-N 2.99Å; K857-L860 PolarHBondContact O-N 3.45Å; K857-E861 WeakPolarHBondContact CE-OE1 3.37Å; K857-E861 IonicContact NZ-OE1 3.83Å; K857-E861 WeakPolarHBondContact O-CG 3.4Å; K857-E861 PolarHBondContact O-N 3.3Å |
| 858 | Q | 88.3 | Confident | 80.1 | Confident | 130 Ų | 130 | 107.3 Ų | 107.3 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.7 | -34 | -179.2 | -159.3 | 175.6 | 7.4 | 0 | 0 | 111.8 | K854 M855 E856 S862 | K854-Q858 WeakPolarHBondContact O-CB 3.35Å; K854-Q858 PolarHBondContact O-N 3.04Å; M855-Q858 PolarHBondContact O-N 3.39Å; M855-Q858 VanDerWaalsContact O-N 3.14Å; E856-Q858 PolarHBondContact O-N 3.44Å; Q858-S862 WeakPolarHBondContact O-CB 3.49Å; Q858-S862 PolarHBondContact O-N 3.44Å |
| 859 | Q | 82.9 | Confident | 78.2 | Confident | 141 Ų | 141 | 107.7 Ų | 107.7 | 66% | 0.659 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.5 | -44 | 173.1 | -134.3 | -178.5 | 9.1 | 0 | 0 | 111.4 | M855 E856 K857 S862 V863 | M855-Q859 WeakPolarHBondContact O-CB 3.3Å; M855-Q859 PolarHBondContact O-N 3.17Å; E856-Q859 WeakPolarHBondContact O-CB 3.07Å; E856-Q859 PolarHBondContact O-N 3.17Å; K857-Q859 VanDerWaalsContact C-N 3.28Å; K857-Q859 PolarHBondContact O-N 2.99Å; Q859-S862 WeakPolarHBondContact O-CB 3.5Å; Q859-S862 PolarHBondContact O-N 2.98Å; Q859-V863 WeakPolarHBondContact O-CG2 3.41Å; Q859-V863 PolarHBondContact O-N 3.02Å |
| 860 | L | 79.2 | Confident | 76.2 | Confident | 108 Ų | 108 | 110.6 Ų | 110.6 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.3 | -42.5 | 175.6 | -73.1 | 166.5 | 0 | 0 | 0 | 112.1 | E856 K857 S862 V863 L864 | E856-L860 WeakPolarHBondContact O-CG 3.35Å; E856-L860 PolarHBondContact O-N 3.3Å; K857-L860 PolarHBondContact O-N 3.45Å; L860-S862 VanDerWaalsContact C-N 3.31Å; L860-S862 PolarHBondContact O-N 2.89Å; L860-V863 PolarHBondContact O-N 2.8Å; L860-L864 WeakPolarHBondContact O-CB 3.42Å; L860-L864 PolarHBondContact O-N 2.88Å |
| 861 | E | 81.8 | Confident | 73.6 | Confident | 103 Ų | 103 | 116.2 Ų | 116.2 | 48% | 0.481 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.7 | -39 | 174.7 | -75.7 | 175.8 | 173.7 | 0 | 0 | 111.7 | K857 L864 S865 | K857-E861 WeakPolarHBondContact CE-OE1 3.37Å; K857-E861 IonicContact NZ-OE1 3.83Å; K857-E861 WeakPolarHBondContact O-CG 3.4Å; K857-E861 PolarHBondContact O-N 3.3Å; E861-L864 PolarHBondContact O-N 3.31Å; E861-S865 WeakPolarHBondContact O-CB 3.12Å; E861-S865 PolarHBondContact O-N 3.38Å |
| 862 | S | 75.9 | Confident | 71 | Confident | 82 Ų | 82 | 117.6 Ų | 117.6 | 57% | 0.573 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.7 | -44.1 | 173.6 | 171.4 | 0 | 0 | 0 | 0 | 112.5 | Q858 Q859 L860 S865 G866 | Q858-S862 WeakPolarHBondContact O-CB 3.49Å; Q858-S862 PolarHBondContact O-N 3.44Å; Q859-S862 WeakPolarHBondContact O-CB 3.5Å; Q859-S862 PolarHBondContact O-N 2.98Å; L860-S862 VanDerWaalsContact C-N 3.31Å; L860-S862 PolarHBondContact O-N 2.89Å; S862-S865 PolarHBondContact O-N 3.33Å; S862-G866 PolarHBondContact O-N 2.92Å |
| 863 | V | 73.1 | Confident | 68.4 | Low | 82 Ų | 82 | 115.8 Ų | 115.8 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.2 | -42.3 | 177.6 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | Q859 L860 G866 M867 | Q859-V863 WeakPolarHBondContact O-CG2 3.41Å; Q859-V863 PolarHBondContact O-N 3.02Å; L860-V863 PolarHBondContact O-N 2.8Å; V863-G866 PolarHBondContact O-N 3.34Å; V863-M867 HydrophobicContact CG1-SD 3.8Å; V863-M867 VanDerWaalsContact O-CG 3.32Å; V863-M867 WeakPolarHBondContact O-CG 3.3Å; V863-M867 PolarHBondContact O-N 3.43Å |
| 864 | L | 63.6 | Low | 65.8 | Low | 105 Ų | 105 | 118.2 Ų | 118.2 | 55% | 0.55 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59.6 | -48.1 | 174.8 | -96.5 | 150.9 | 0 | 0 | 0 | 112.2 | L860 E861 G866 M867 E868 | L860-L864 WeakPolarHBondContact O-CB 3.42Å; L860-L864 PolarHBondContact O-N 2.88Å; E861-L864 PolarHBondContact O-N 3.31Å; L864-G866 VanDerWaalsContact C-N 3.32Å; L864-G866 PolarHBondContact O-N 2.88Å; L864-M867 WeakPolarHBondContact O-CB 3.48Å; L864-M867 PolarHBondContact O-N 2.85Å; L864-M867 VanDerWaalsContact O-N 3.14Å; L864-E868 PolarHBondContact O-N 2.91Å |
| 865 | S | 63.7 | Low | 63 | Low | 66 Ų | 66 | 117.6 Ų | 117.6 | 46% | 0.462 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.9 | -36.1 | 177.9 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | E861 S862 M867 E868 S869 | E861-S865 WeakPolarHBondContact O-CB 3.12Å; E861-S865 PolarHBondContact O-N 3.38Å; S862-S865 PolarHBondContact O-N 3.33Å; S865-M867 VanDerWaalsContact C-N 3.34Å; S865-M867 PolarHBondContact O-N 3.23Å; S865-E868 PolarHBondContact O-N 2.91Å; S865-S869 WeakPolarHBondContact O-CB 3.36Å; S865-S869 PolarHBondContact O-N 3.41Å; S865-S869 PolarHBondContact O-OG 3.45Å |
| 866 | G | 59.5 | Low | 60.3 | Low | 37 Ų | 37 | 116.6 Ų | 116.6 | 38% | 0.381 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.2 | -34.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S862 V863 L864 K870 | S862-G866 PolarHBondContact O-N 2.92Å; V863-G866 PolarHBondContact O-N 3.34Å; L864-G866 VanDerWaalsContact C-N 3.32Å; L864-G866 PolarHBondContact O-N 2.88Å; G866-K870 PolarHBondContact O-N 3.42Å |
| 867 | M | 53.8 | Low | 57.3 | Low | 125 Ų | 125 | 116.5 Ų | 116.5 | 62% | 0.616 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72 | -38.1 | 175.1 | -73.3 | 163.8 | 70.8 | 0 | 0 | 112 | V863 L864 S865 K870 | V863-M867 HydrophobicContact CG1-SD 3.8Å; V863-M867 VanDerWaalsContact O-CG 3.32Å; V863-M867 WeakPolarHBondContact O-CG 3.3Å; V863-M867 PolarHBondContact O-N 3.43Å; L864-M867 WeakPolarHBondContact O-CB 3.48Å; L864-M867 PolarHBondContact O-N 2.85Å; L864-M867 VanDerWaalsContact O-N 3.14Å; S865-M867 VanDerWaalsContact C-N 3.34Å; S865-M867 PolarHBondContact O-N 3.23Å; M867-K870 PolarHBondContact O-N 3.49Å |
| 868 | E | 51.6 | Low | 54.7 | Low | 144 Ų | 144 | 116.9 Ų | 116.9 | 67% | 0.673 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.4 | -38.8 | 173.7 | -76.6 | -175.9 | 151.3 | 0 | 0 | 112 | L864 S865 K870 R871 | L864-E868 PolarHBondContact O-N 2.91Å; S865-E868 PolarHBondContact O-N 2.91Å; E868-K870 VanDerWaalsContact C-N 3.25Å; E868-K870 PolarHBondContact O-N 2.99Å; E868-R871 PolarHBondContact O-N 3.27Å; E868-R871 VanDerWaalsContact O-N 3.17Å |
| 869 | S | 53.1 | Low | 51.8 | Low | 88 Ų | 88 | 117.4 Ų | 117.4 | 62% | 0.615 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.3 | -20.8 | 179.8 | -56.3 | 0 | 0 | 0 | 0 | 113.9 | S865 | S865-S869 WeakPolarHBondContact O-CB 3.36Å; S865-S869 PolarHBondContact O-N 3.41Å; S865-S869 PolarHBondContact O-OG 3.45Å |
| 870 | K | 49.6 | Very low | 49.5 | Very low | 179 Ų | 179 | 116.5 Ų | 116.5 | 78% | 0.778 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -2.4 | 175.7 | -79.7 | -178.2 | 179 | 175.9 | 0 | 114 | G866 M867 E868 T872 | G866-K870 PolarHBondContact O-N 3.42Å; M867-K870 PolarHBondContact O-N 3.49Å; E868-K870 VanDerWaalsContact C-N 3.25Å; E868-K870 PolarHBondContact O-N 2.99Å; K870-T872 PolarHBondContact O-N 3.3Å |
| 871 | R | 35 | Very low | 47.1 | Very low | 218 Ų | 218 | 117.4 Ų | 117.4 | 82% | 0.823 | 65% | 0.651 | S | S | * | * | trans | -78.9 | 65.9 | 164.2 | -73.1 | -173.7 | 177.4 | -147.7 | -0.1 | 109.8 | E868 P873 | E868-R871 PolarHBondContact O-N 3.27Å; E868-R871 VanDerWaalsContact O-N 3.17Å; R871-P873 VanDerWaalsContact O-CD 3.32Å; R871-P873 WeakPolarHBondContact O-CD 3.34Å | ||
| 872 | T | 36.6 | Very low | 44.4 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | trans | -68.4 | 118.5 | 164.6 | 40.7 | 0 | 0 | 0 | 0 | 108.8 | K870 I874 | K870-T872 PolarHBondContact O-N 3.3Å; T872-I874 PolarHBondContact O-N 3.5Å | ||
| 873 | P | 39.5 | Very low | 42.3 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | trans | -65 | 123 | 178.4 | -13.8 | 27.6 | 0 | 0 | 0 | 109.2 | R871 T875 | R871-P873 VanDerWaalsContact O-CD 3.32Å; R871-P873 WeakPolarHBondContact O-CD 3.34Å; P873-T875 PolarHBondContact O-N 2.91Å | ||
| 874 | I | 34.3 | Very low | 40.2 | Very low | 154 Ų | 154 | 122.3 Ų | 122.3 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | -68.2 | 99.3 | 171 | -65.4 | 172.3 | 0 | 0 | 0 | 107.5 | T872 T876 | T872-I874 PolarHBondContact O-N 3.5Å; I874-T876 VanDerWaalsContact C-N 3.33Å; I874-T876 PolarHBondContact O-N 3.21Å | ||
| 875 | T | 31.9 | Very low | 38.7 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -58.6 | 91.4 | 166.1 | -58.1 | 0 | 0 | 0 | 0 | 109 | P873 T877 | P873-T875 PolarHBondContact O-N 2.91Å; T875-T877 PolarHBondContact O-N 3.4Å | ||
| 876 | T | 32.9 | Very low | 36.9 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 66% | 0.656 | 72% | 0.715 | S | S | * | * | trans | -87 | 99.6 | 167.9 | -57.1 | 0 | 0 | 0 | 0 | 108.2 | I874 I878 | I874-T876 VanDerWaalsContact C-N 3.33Å; I874-T876 PolarHBondContact O-N 3.21Å; T876-I878 HydrophobicContact CG2-CG1 4.22Å; T876-I878 PolarHBondContact O-N 2.94Å; T876-I878 VanDerWaalsContact O-N 3.14Å | ||
| 877 | T | 28.1 | Very low | 35.6 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | trans | -58.2 | 104.3 | 169.1 | -57.5 | 0 | 0 | 0 | 0 | 110 | T875 N879 | T875-T877 PolarHBondContact O-N 3.4Å; T877-N879 WeakPolarHBondContact CG2-OD1 3.33Å | ||
| 878 | I | 33.4 | Very low | 34.4 | Very low | 134 Ų | 134 | 130 Ų | 130 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | trans | -109.4 | 102.2 | 163.8 | -59.2 | 179.1 | 0 | 0 | 0 | 107.6 | T876 T880 | T876-I878 HydrophobicContact CG2-CG1 4.22Å; T876-I878 PolarHBondContact O-N 2.94Å; T876-I878 VanDerWaalsContact O-N 3.14Å; I878-T880 PolarHBondContact O-N 3.3Å | ||
| 879 | N | 28.9 | Very low | 33.4 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | -62.9 | 99.6 | 168.9 | -66.8 | -15.1 | 0 | 0 | 0 | 109 | T877 | T877-N879 WeakPolarHBondContact CG2-OD1 3.33Š| ||
| 880 | T | 33.4 | Very low | 32.2 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -113.5 | 106.8 | 165.8 | -54.7 | 0 | 0 | 0 | 0 | 108.8 | I878 | I878-T880 PolarHBondContact O-N 3.3Š| ||
| 881 | T | 28.7 | Very low | 31.4 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -60.8 | 130.5 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | V883 | T881-V883 PolarHBondContact O-N 3.01Š| ||
| 882 | V | 26.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | trans | -48.5 | 122.9 | 169 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 883 | V | 31.5 | Very low | 30.7 | Very low | 136 Ų | 136 | 124 Ų | 124 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -126 | 114.2 | 148.7 | 176.7 | 0 | 0 | 0 | 0 | 108.3 | T881 | T881-V883 PolarHBondContact O-N 3.01Š| ||
| 884 | T | 28.1 | Very low | 30.3 | Very low | 116 Ų | 116 | 123.8 Ų | 123.8 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | -76.2 | 119.7 | 179.7 | -34.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 885 | T | 32.1 | Very low | 29.9 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -142.8 | 115 | 147.9 | 45.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 886 | A | 26.8 | Very low | 29.8 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 135.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 887 | S | 31.5 | Very low | 29.4 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -152.1 | 108.7 | 146.6 | -154.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 888 | T | 28.6 | Very low | 29.2 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -64.7 | 123.9 | 170.3 | 31.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 889 | A | 31.7 | Very low | 28.9 | Very low | 101 Ų | 101 | 123 Ų | 123 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -146.7 | 96.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 890 | T | 27.7 | Very low | 28.6 | Very low | 142 Ų | 142 | 123 Ų | 123 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | trans | -63.1 | 127.1 | 163.1 | 29.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 891 | S | 31.9 | Very low | 28.2 | Very low | 114 Ų | 114 | 122.3 Ų | 122.3 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -150.2 | 109.9 | 150.9 | -164.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 892 | T | 26.2 | Very low | 28.3 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -70.8 | 129.4 | 177 | -54.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 893 | V | 31.2 | Very low | 28.5 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | trans | -122.6 | 130.7 | 164.9 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 894 | P | 31.2 | Very low | 28.4 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -93.1 | 148.2 | -168.9 | 13.7 | 5.9 | 0 | 0 | 0 | 113.5 | ||||
| 895 | L | 25.1 | Very low | 28.8 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -50.6 | 124 | 164.1 | -175.1 | 71.8 | 0 | 0 | 0 | 112.7 | ||||
| 896 | V | 30.1 | Very low | 28.6 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -134.2 | 114.4 | 157.1 | 175.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 897 | S | 24 | Very low | 29.1 | Very low | 86 Ų | 86 | 128.4 Ų | 128.4 | 60% | 0.601 | 80% | 0.801 | S | S | * | * | trans | -77.9 | 165.3 | 168.8 | -52.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 898 | T | 24.7 | Very low | 29.2 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 125.2 | 116 | 134.1 | -46.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 899 | S | 26.4 | Very low | 29.3 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | 63.4 | 118.3 | 145.4 | -53.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 900 | T | 22.6 | Very low | 29.4 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | 64.4 | 102.2 | 65.2 | -41 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 901 | S | 25 | Very low | 29.6 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 150.6 | 111.6 | 142.9 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 902 | T | 32.2 | Very low | 29.8 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -148.2 | 101.5 | 156.3 | 48.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 903 | T | 30.1 | Very low | 29.9 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 7.5 | 136.4 | 142.3 | 49.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 904 | T | 29.4 | Very low | 30.1 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -54.3 | 143.4 | 159.2 | 47.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 905 | D | 35.3 | Very low | 30 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -154.9 | 120 | 149.9 | -102.3 | -24.2 | 0 | 0 | 0 | 109.7 | ||||
| 906 | D | 29.4 | Very low | 30.3 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -88.8 | 129.5 | 174 | -81.8 | -46.6 | 0 | 0 | 0 | 110.1 | ||||
| 907 | V | 36.4 | Very low | 30.2 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -142 | 107 | 162.1 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 908 | A | 34.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | 39.6 | 122.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 909 | N | 30.1 | Very low | 30.7 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -51.4 | 141.6 | 157.6 | -93.9 | -8.7 | 0 | 0 | 0 | 114.4 | ||||
| 910 | D | 33.2 | Very low | 30.7 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | -138.1 | 101.4 | 153 | -166.9 | 16.9 | 0 | 0 | 0 | 108.6 | ||||
| 911 | D | 32.3 | Very low | 31.1 | Very low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -93.3 | 114.6 | 173.6 | -83 | -46.7 | 0 | 0 | 0 | 108.8 | ||||
| 912 | T | 35.7 | Very low | 31.3 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 69% | 0.687 | 82% | 0.817 | S | S | * | * | trans | -126.5 | 98 | 164.9 | 34.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 913 | E | 28.6 | Very low | 31.3 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -67.7 | 121 | 166.8 | -79.4 | -173.1 | 131.7 | 0 | 0 | 111.2 | ||||
| 914 | H | 35 | Very low | 31.2 | Very low | 186 Ų | 186 | 146.2 Ų | 146.2 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -117.5 | 101 | 160.7 | -81.6 | -23.3 | 0 | 0 | 0 | 110.8 | ||||
| 915 | K | 29.3 | Very low | 31.1 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -69.2 | 115.3 | 169.6 | -178 | 177.4 | -177.9 | 175.4 | 0 | 110 | ||||
| 916 | C | 31.3 | Very low | 30.8 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -135.4 | 108.7 | 166.1 | -145.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 917 | K | 28.2 | Very low | 30.9 | Very low | 199 Ų | 199 | 145.8 Ų | 145.8 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -99.9 | 119.4 | 166.5 | -82.4 | -179.4 | 174 | -178.9 | 0 | 107.3 | ||||
| 918 | A | 31.9 | Very low | 30.8 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 132.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 919 | S | 28.7 | Very low | 31.1 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 145.7 | -175.2 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 920 | C | 25.6 | Very low | 31.6 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 28.5 | 116 | 143.6 | -57.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 921 | I | 31.1 | Very low | 32.5 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | -133.2 | 117.9 | 146.3 | -58.9 | 176.7 | 0 | 0 | 0 | 106.9 | ||||
| 922 | D | 27.9 | Very low | 33.4 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -68.4 | 144.7 | 168.1 | -64.2 | -58.2 | 0 | 0 | 0 | 110.7 | ||||
| 923 | T | 32.3 | Very low | 34.3 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | 172 | 118.6 | 128.1 | 40.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 924 | E | 28.3 | Very low | 35.6 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 66.8 | 109 | 132 | -64.2 | -176.7 | 157.5 | 0 | 0 | 122 | ||||
| 925 | T | 28.3 | Very low | 37 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | 59.1 | 94.9 | 115.9 | -33 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 926 | Q | 29.3 | Very low | 39 | Very low | 192 Ų | 192 | 126.3 Ų | 126.3 | 90% | 0.897 | 73% | 0.728 | S | S | * | * | trans | -150 | 108 | 143.5 | -108.6 | 176.1 | 92.6 | 0 | 0 | 110.9 | S928 | Q926-S928 PolarHBondContact O-N 3.31Š| ||
| 927 | T | 31.5 | Very low | 40.8 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 85% | 0.853 | 71% | 0.712 | S | S | * | * | trans | -72.4 | 101.4 | 176.2 | -41.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 928 | S | 34.6 | Very low | 42.7 | Very low | 93 Ų | 93 | 121.4 Ų | 121.4 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | trans | -107 | 127.9 | 166.5 | -70.8 | 0 | 0 | 0 | 0 | 109.2 | Q926 I930 | Q926-S928 PolarHBondContact O-N 3.31Å; S928-I930 PolarHBondContact O-N 2.92Å | ||
| 929 | P | 39 | Very low | 44.7 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | trans | -77.6 | 104.9 | -176.7 | 30.3 | -30.6 | 0 | 0 | 0 | 109.8 | T931 | P929-T931 PolarHBondContact O-N 2.9Å; P929-T931 VanDerWaalsContact O-N 3.1Å | ||
| 930 | I | 41.8 | Very low | 47 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 67% | 0.672 | 67% | 0.669 | S | S | * | * | trans | -78.7 | 95.4 | 175.3 | -64.1 | 173.1 | 0 | 0 | 0 | 108.4 | S928 A934 | S928-I930 PolarHBondContact O-N 2.92Å; I930-A934 HydrophobicContact CG2-CB 4.15Å | ||
| 931 | T | 51.1 | Low | 49.2 | Very low | 95 Ų | 95 | 123.7 Ų | 123.7 | 58% | 0.583 | 66% | 0.659 | S | S | * | * | trans | 26.8 | 117.9 | 142.1 | 57.2 | 0 | 0 | 0 | 0 | 118 | P929 N933 A934 | P929-T931 PolarHBondContact O-N 2.9Å; P929-T931 VanDerWaalsContact O-N 3.1Å; T931-N933 PolarHBondContact O-N 2.9Å; T931-A934 PolarHBondContact O-N 3.45Å | ||
| 932 | D | 52.5 | Low | 51.3 | Low | 131 Ų | 131 | 122.6 Ų | 122.6 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -45.7 | -21.5 | 174.7 | -65.3 | -48.2 | 0 | 0 | 0 | 115.3 | A934 I935 D936 | D932-A934 VanDerWaalsContact C-N 3.3Å; D932-A934 PolarHBondContact O-N 2.94Å; D932-I935 WeakPolarHBondContact O-CB 3.39Å; D932-I935 PolarHBondContact O-N 3.48Å; D932-I935 VanDerWaalsContact O-N 3.09Å; D932-D936 PolarHBondContact O-N 2.94Å |
| 933 | N | 54.9 | Low | 53.6 | Low | 131 Ų | 131 | 122.3 Ų | 122.3 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.1 | -35.1 | 175 | -130.4 | 28.2 | 0 | 0 | 0 | 113.1 | T931 I935 E937 | T931-N933 PolarHBondContact O-N 2.9Å; N933-I935 VanDerWaalsContact C-N 3.3Å; N933-E937 WeakPolarHBondContact O-CB 3.46Å; N933-E937 PolarHBondContact O-N 3.24Å |
| 934 | A | 54.9 | Low | 55.6 | Low | 45 Ų | 45 | 121.5 Ų | 121.5 | 37% | 0.372 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -70.3 | -31.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I930 T931 D932 M938 | I930-A934 HydrophobicContact CG2-CB 4.15Å; T931-A934 PolarHBondContact O-N 3.45Å; D932-A934 VanDerWaalsContact C-N 3.3Å; D932-A934 PolarHBondContact O-N 2.94Å; A934-M938 WeakPolarHBondContact O-CB 3.4Å; A934-M938 PolarHBondContact O-N 3.43Å |
| 935 | I | 64.8 | Low | 57.6 | Low | 81 Ų | 81 | 119.3 Ų | 119.3 | 42% | 0.415 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.3 | -43.9 | 176.4 | -60.9 | 175.8 | 0 | 0 | 0 | 109.7 | D932 N933 M938 N939 | D932-I935 WeakPolarHBondContact O-CB 3.39Å; D932-I935 PolarHBondContact O-N 3.48Å; D932-I935 VanDerWaalsContact O-N 3.09Å; N933-I935 VanDerWaalsContact C-N 3.3Å; I935-M938 PolarHBondContact O-N 2.88Å; I935-N939 WeakPolarHBondContact O-CB 3.4Å; I935-N939 PolarHBondContact O-N 2.96Å; I935-N939 PolarHBondContact O-ND2 3.49Å |
| 936 | D | 71.3 | Confident | 59.9 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 59% | 0.594 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.9 | -41.1 | 176.8 | -112.5 | 15.6 | 0 | 0 | 0 | 112.1 | D932 M938 N939 K940 | D932-D936 PolarHBondContact O-N 2.94Å; D936-M938 VanDerWaalsContact C-N 3.35Å; D936-N939 PolarHBondContact O-N 3.41Å; D936-K940 WeakPolarHBondContact O-CB 3.35Å; D936-K940 PolarHBondContact O-N 3.28Å |
| 937 | E | 68.7 | Low | 62.1 | Low | 111 Ų | 111 | 114.2 Ų | 114.2 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.9 | -38.8 | 174.7 | -162.8 | -165.8 | 128.6 | 0 | 0 | 111.9 | N933 K940 R941 | N933-E937 WeakPolarHBondContact O-CB 3.46Å; N933-E937 PolarHBondContact O-N 3.24Å; E937-K940 PolarHBondContact O-N 2.84Å; E937-R941 WeakPolarHBondContact O-CB 3.44Å; E937-R941 PolarHBondContact O-N 3.12Å; E937-R941 IonicContact OE1-CZ 2.8Å; E937-R941 IonicContact OE1-NE 2.83Å; E937-R941 IonicContact OE1-NH2 3.51Å; E937-R941 PolarHBondContact OE1-NH2 3.07Å |
| 938 | M | 67.7 | Low | 64.2 | Low | 111 Ų | 111 | 114.4 Ų | 114.4 | 55% | 0.547 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.8 | -41.4 | 174.7 | -170.4 | -173.2 | 73.6 | 0 | 0 | 111.3 | A934 I935 D936 R941 K942 | A934-M938 WeakPolarHBondContact O-CB 3.4Å; A934-M938 PolarHBondContact O-N 3.43Å; I935-M938 PolarHBondContact O-N 2.88Å; D936-M938 VanDerWaalsContact C-N 3.35Å; M938-R941 PolarHBondContact O-N 2.88Å; M938-K942 WeakPolarHBondContact O-CB 3.35Å; M938-K942 PolarHBondContact O-N 3.19Å |
| 939 | N | 75.4 | Confident | 66.1 | Low | 73 Ų | 73 | 111.9 Ų | 111.9 | 39% | 0.39 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.1 | -43.1 | 176 | -75.6 | -27.4 | 0 | 0 | 0 | 111.1 | I935 D936 R941 K942 E943 | I935-N939 WeakPolarHBondContact O-CB 3.4Å; I935-N939 PolarHBondContact O-N 2.96Å; I935-N939 PolarHBondContact O-ND2 3.49Å; D936-N939 PolarHBondContact O-N 3.41Å; N939-R941 PolarHBondContact O-N 3.22Å; N939-K942 WeakPolarHBondContact O-CB 3.26Å; N939-K942 PolarHBondContact O-N 3.43Å; N939-E943 WeakPolarHBondContact O-CB 3.49Å; N939-E943 PolarHBondContact O-N 3.17Å |
| 940 | K | 76.2 | Confident | 67.9 | Low | 142 Ų | 142 | 110.9 Ų | 110.9 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -38.4 | 176.9 | -165.4 | 162.1 | -172.5 | 171.1 | 0 | 112.7 | D936 E937 K942 E943 N944 | D936-K940 WeakPolarHBondContact O-CB 3.35Å; D936-K940 PolarHBondContact O-N 3.28Å; E937-K940 PolarHBondContact O-N 2.84Å; K940-K942 VanDerWaalsContact C-N 3.35Å; K940-E943 PolarHBondContact O-N 3.41Å; K940-N944 WeakPolarHBondContact O-CB 3.46Å; K940-N944 PolarHBondContact O-N 3.48Å |
| 941 | R | 71.9 | Confident | 69.5 | Low | 162 Ų | 162 | 108.9 Ų | 108.9 | 61% | 0.611 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -40.6 | 171 | -95.8 | -171 | -82.7 | 169.7 | -12.6 | 112.1 | E937 M938 N939 N944 Y945 | E937-R941 WeakPolarHBondContact O-CB 3.44Å; E937-R941 PolarHBondContact O-N 3.12Å; E937-R941 IonicContact OE1-CZ 2.8Å; E937-R941 IonicContact OE1-NE 2.83Å; E937-R941 IonicContact OE1-NH2 3.51Å; E937-R941 PolarHBondContact OE1-NH2 3.07Å; M938-R941 PolarHBondContact O-N 2.88Å; N939-R941 PolarHBondContact O-N 3.22Å; R941-N944 PolarHBondContact O-N 3.49Å; R941-Y945 WeakPolarHBondContact O-CB 3.33Å; R941-Y945 PolarHBondContact O-N 3.45Å |
| 942 | K | 75.6 | Confident | 70.6 | Confident | 145 Ų | 145 | 106.5 Ų | 106.5 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -42.6 | 177.3 | -170.6 | -179.4 | 178.8 | -176.7 | 0 | 111.4 | M938 N939 K940 Y945 E946 | M938-K942 WeakPolarHBondContact O-CB 3.35Å; M938-K942 PolarHBondContact O-N 3.19Å; N939-K942 WeakPolarHBondContact O-CB 3.26Å; N939-K942 PolarHBondContact O-N 3.43Å; K940-K942 VanDerWaalsContact C-N 3.35Å; K942-Y945 PolarHBondContact O-N 3.42Å; K942-E946 WeakPolarHBondContact O-CB 3.43Å; K942-E946 PolarHBondContact O-N 3.24Å |
| 943 | E | 74.5 | Confident | 71.9 | Confident | 136 Ų | 136 | 103.4 Ų | 103.4 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 177.5 | -158.1 | 170.1 | -148.1 | 0 | 0 | 111.7 | N939 K940 Y945 E946 Q947 | N939-E943 WeakPolarHBondContact O-CB 3.49Å; N939-E943 PolarHBondContact O-N 3.17Å; K940-E943 PolarHBondContact O-N 3.41Å; E943-Y945 VanDerWaalsContact C-N 3.35Å; E943-Y945 PolarHBondContact O-N 2.86Å; E943-E946 PolarHBondContact O-N 3.43Å; E943-Q947 WeakPolarHBondContact O-CB 3.49Å; E943-Q947 PolarHBondContact O-N 3.08Å |
| 944 | N | 74.3 | Confident | 72.9 | Confident | 108 Ų | 108 | 102.8 Ų | 102.8 | 58% | 0.578 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.8 | -41.2 | 172.3 | -79.9 | -12.7 | 0 | 0 | 0 | 112.5 | K940 R941 Q947 Y948 | K940-N944 WeakPolarHBondContact O-CB 3.46Å; K940-N944 PolarHBondContact O-N 3.48Å; R941-N944 PolarHBondContact O-N 3.49Å; N944-Q947 PolarHBondContact O-N 3.34Å; N944-Y948 WeakPolarHBondContact O-CB 3.39Å; N944-Y948 PolarHBondContact O-N 2.91Å |
| 945 | Y | 72.2 | Confident | 73.7 | Confident | 127 Ų | 127 | 107.5 Ų | 107.5 | 50% | 0.498 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 177.8 | -173.7 | -95.9 | 0 | 0 | 0 | 111.8 | R941 K942 E943 Q947 Y948 C949 | R941-Y945 WeakPolarHBondContact O-CB 3.33Å; R941-Y945 PolarHBondContact O-N 3.45Å; K942-Y945 PolarHBondContact O-N 3.42Å; E943-Y945 VanDerWaalsContact C-N 3.35Å; E943-Y945 PolarHBondContact O-N 2.86Å; Y945-Q947 VanDerWaalsContact C-N 3.33Å; Y945-Y948 PolarHBondContact O-N 3.42Å; Y945-C949 WeakPolarHBondContact CE1-SG 3.29Å; Y945-C949 PolarHBondContact O-N 2.98Å; Y945-C949 PolarHBondContact O-SG 3.32Å |
| 946 | E | 76.6 | Confident | 74.3 | Confident | 98 Ų | 98 | 107.8 Ų | 107.8 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 174 | -167.9 | -175.1 | 146.9 | 0 | 0 | 111.2 | K942 E943 C949 K950 | K942-E946 WeakPolarHBondContact O-CB 3.43Å; K942-E946 PolarHBondContact O-N 3.24Å; E943-E946 PolarHBondContact O-N 3.43Å; E946-C949 PolarHBondContact O-N 2.82Å; E946-K950 WeakPolarHBondContact O-CG 3.47Å; E946-K950 PolarHBondContact O-N 3.3Å; E946-K950 WeakPolarHBondContact OE1-CE 3.35Å; E946-K950 IonicContact OE1-NZ 3.69Å; E946-K950 PolarHBondContact OE1-NZ 3.01Å |
| 947 | Q | 75.2 | Confident | 74.3 | Confident | 102 Ų | 102 | 103.8 Ų | 103.8 | 48% | 0.477 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 176 | -168.3 | 62.8 | 18.7 | 0 | 0 | 112.1 | E943 N944 Y945 C949 K950 E951 | E943-Q947 WeakPolarHBondContact O-CB 3.49Å; E943-Q947 PolarHBondContact O-N 3.08Å; N944-Q947 PolarHBondContact O-N 3.34Å; Y945-Q947 VanDerWaalsContact C-N 3.33Å; Q947-C949 VanDerWaalsContact C-N 3.35Å; Q947-C949 PolarHBondContact O-N 2.92Å; Q947-K950 PolarHBondContact O-N 3.24Å; Q947-E951 PolarHBondContact O-N 3.48Å |
| 948 | Y | 75.3 | Confident | 74.5 | Confident | 144 Ų | 144 | 101.2 Ų | 101.2 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.4 | -44.9 | 173.2 | 176.2 | -100.4 | 0 | 0 | 0 | 111.6 | N944 Y945 K950 E951 L952 | N944-Y948 WeakPolarHBondContact O-CB 3.39Å; N944-Y948 PolarHBondContact O-N 2.91Å; Y945-Y948 PolarHBondContact O-N 3.42Å; Y948-K950 VanDerWaalsContact C-N 3.35Å; Y948-K950 PolarHBondContact O-N 3.49Å; Y948-E951 PolarHBondContact O-N 2.98Å; Y948-L952 WeakPolarHBondContact O-CB 3.39Å; Y948-L952 PolarHBondContact O-N 3.48Å |
| 949 | C | 73.2 | Confident | 74.6 | Confident | 40 Ų | 40 | 98.7 Ų | 98.7 | 27% | 0.27 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 176.6 | -67 | 0 | 0 | 0 | 0 | 112.1 | Y945 E946 Q947 L952 I953 | Y945-C949 WeakPolarHBondContact CE1-SG 3.29Å; Y945-C949 PolarHBondContact O-N 2.98Å; Y945-C949 PolarHBondContact O-SG 3.32Å; E946-C949 PolarHBondContact O-N 2.82Å; Q947-C949 VanDerWaalsContact C-N 3.35Å; Q947-C949 PolarHBondContact O-N 2.92Å; C949-L952 PolarHBondContact O-N 2.85Å; C949-I953 VanDerWaalsContact O-CG1 3.28Å; C949-I953 WeakPolarHBondContact O-CG1 3.45Å; C949-I953 PolarHBondContact O-N 3.46Å |
| 950 | K | 77.3 | Confident | 74.1 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 46% | 0.457 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.6 | -77.4 | 176 | -176 | 161.1 | 0 | 112.4 | E946 Q947 Y948 I953 K954 | E946-K950 WeakPolarHBondContact O-CG 3.47Å; E946-K950 PolarHBondContact O-N 3.3Å; E946-K950 WeakPolarHBondContact OE1-CE 3.35Å; E946-K950 IonicContact OE1-NZ 3.69Å; E946-K950 PolarHBondContact OE1-NZ 3.01Å; Q947-K950 PolarHBondContact O-N 3.24Å; Y948-K950 VanDerWaalsContact C-N 3.35Å; Y948-K950 PolarHBondContact O-N 3.49Å; K950-I953 PolarHBondContact O-N 3.4Å; K950-K954 PolarHBondContact O-N 2.87Å |
| 951 | E | 75 | Confident | 73.8 | Confident | 89 Ų | 89 | 97.3 Ų | 97.3 | 42% | 0.416 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.9 | -37 | 176.7 | -76.3 | -58.9 | 128.9 | 0 | 0 | 112.2 | Q947 Y948 I953 K954 Y955 | Q947-E951 PolarHBondContact O-N 3.48Å; Y948-E951 PolarHBondContact O-N 2.98Å; E951-I953 PolarHBondContact O-N 3.42Å; E951-K954 WeakPolarHBondContact O-CB 3.48Å; E951-K954 PolarHBondContact O-N 3.48Å; E951-K954 IonicContact OE1-NZ 2.76Å; E951-K954 PolarHBondContact OE1-NZ 2.99Å; E951-Y955 WeakPolarHBondContact O-CB 3.32Å; E951-Y955 PolarHBondContact O-N 3.27Å |
| 952 | L | 74.3 | Confident | 73.5 | Confident | 45 Ų | 45 | 94.1 Ų | 94.1 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63 | -43 | 174.6 | -156.4 | 81.3 | 0 | 0 | 0 | 111.8 | Y948 C949 Y955 I956 L993 | Y948-L952 WeakPolarHBondContact O-CB 3.39Å; Y948-L952 PolarHBondContact O-N 3.48Å; C949-L952 PolarHBondContact O-N 2.85Å; L952-Y955 PolarHBondContact O-N 2.78Å; L952-I956 HydrophobicContact CG-CD1 4.39Å; L952-I956 VanDerWaalsContact O-CG1 3.31Å; L952-I956 WeakPolarHBondContact O-CG1 3.25Å; L952-I956 PolarHBondContact O-N 3.24Å; L952-L993 HydrophobicContact CD2-CD1 3.76Å; L952-L993 HydrophobicContact CD2-CD2 4.12Å |
| 953 | I | 80.3 | Confident | 72.6 | Confident | 65 Ų | 65 | 93.7 Ų | 93.7 | 33% | 0.333 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 175.5 | -70.2 | 165.5 | 0 | 0 | 0 | 110.5 | C949 K950 E951 Y955 I956 C957 | C949-I953 VanDerWaalsContact O-CG1 3.28Å; C949-I953 WeakPolarHBondContact O-CG1 3.45Å; C949-I953 PolarHBondContact O-N 3.46Å; K950-I953 PolarHBondContact O-N 3.4Å; E951-I953 PolarHBondContact O-N 3.42Å; I953-Y955 VanDerWaalsContact C-N 3.31Å; I953-Y955 PolarHBondContact O-N 2.85Å; I953-I956 PolarHBondContact O-N 3.48Å; I953-C957 WeakPolarHBondContact O-CB 3.44Å; I953-C957 PolarHBondContact O-N 2.96Å; I953-C957 PolarHBondContact O-SG 3.5Å; I953-C957 VanDerWaalsContact O-SG 3.35Å |
| 954 | K | 75.9 | Confident | 71.7 | Confident | 119 Ų | 119 | 90.9 Ų | 90.9 | 52% | 0.517 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.2 | -45.4 | 173.7 | -98.8 | -175.9 | -169.9 | 163.7 | 0 | 112.2 | K950 E951 C957 S958 | K950-K954 PolarHBondContact O-N 2.87Å; E951-K954 WeakPolarHBondContact O-CB 3.48Å; E951-K954 PolarHBondContact O-N 3.48Å; E951-K954 IonicContact OE1-NZ 2.76Å; E951-K954 PolarHBondContact OE1-NZ 2.99Å; K954-C957 PolarHBondContact O-N 3.32Å; K954-S958 WeakPolarHBondContact O-CB 3.42Å; K954-S958 PolarHBondContact O-N 3.31Å |
| 955 | Y | 72.5 | Confident | 70.6 | Confident | 144 Ų | 144 | 91 Ų | 91 | 57% | 0.565 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | -179.6 | -178.2 | -109.3 | 0 | 0 | 0 | 111.8 | E951 L952 I953 C957 S958 I959 | E951-Y955 WeakPolarHBondContact O-CB 3.32Å; E951-Y955 PolarHBondContact O-N 3.27Å; L952-Y955 PolarHBondContact O-N 2.78Å; I953-Y955 VanDerWaalsContact C-N 3.31Å; I953-Y955 PolarHBondContact O-N 2.85Å; Y955-C957 PolarHBondContact O-N 3.47Å; Y955-S958 WeakPolarHBondContact O-CB 3.47Å; Y955-S958 PolarHBondContact O-N 2.88Å; Y955-S958 VanDerWaalsContact O-N 3.16Å; Y955-I959 HydrophobicContact CD1-CD1 3.89Å; Y955-I959 HydrophobicContact CE1-CD1 3.37Å; Y955-I959 HydrophobicContact CE1-CG1 4.38Å; Y955-I959 HydrophobicContact CE2-CD1 4.28Å; Y955-I959 WeakPolarHBondContact O-CG1 3.5Å; Y955-I959 PolarHBondContact O-N 3.27Å |
| 956 | I | 76.8 | Confident | 69.5 | Low | 86 Ų | 86 | 91.8 Ų | 91.8 | 44% | 0.441 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.8 | -65.3 | 165.5 | 0 | 0 | 0 | 110.8 | L952 I953 S958 I959 Y960 | L952-I956 HydrophobicContact CG-CD1 4.39Å; L952-I956 VanDerWaalsContact O-CG1 3.31Å; L952-I956 WeakPolarHBondContact O-CG1 3.25Å; L952-I956 PolarHBondContact O-N 3.24Å; I953-I956 PolarHBondContact O-N 3.48Å; I956-S958 VanDerWaalsContact C-N 3.31Å; I956-S958 PolarHBondContact O-N 2.84Å; I956-I959 PolarHBondContact O-N 2.94Å; I956-Y960 WeakPolarHBondContact O-CB 3.29Å; I956-Y960 PolarHBondContact O-N 3.36Å |
| 957 | C | 70.8 | Confident | 67.9 | Low | 27 Ų | 27 | 92 Ų | 92 | 18% | 0.182 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 175 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | I953 K954 Y955 Y960 N961 | I953-C957 WeakPolarHBondContact O-CB 3.44Å; I953-C957 PolarHBondContact O-N 2.96Å; I953-C957 PolarHBondContact O-SG 3.5Å; I953-C957 VanDerWaalsContact O-SG 3.35Å; K954-C957 PolarHBondContact O-N 3.32Å; Y955-C957 PolarHBondContact O-N 3.47Å; C957-Y960 PolarHBondContact O-N 3.39Å; C957-N961 VanDerWaalsContact O-CB 3.29Å; C957-N961 WeakPolarHBondContact O-CB 3.39Å; C957-N961 VanDerWaalsContact O-CG 3.22Å; C957-N961 PolarHBondContact O-N 3.06Å; C957-N961 PolarHBondContact O-ND2 2.91Å |
| 958 | S | 72.7 | Confident | 66.2 | Low | 58 Ų | 58 | 90.4 Ų | 90.4 | 41% | 0.406 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 174.3 | -168.2 | 0 | 0 | 0 | 0 | 111.2 | K954 Y955 I956 Y960 N961 D962 | K954-S958 WeakPolarHBondContact O-CB 3.42Å; K954-S958 PolarHBondContact O-N 3.31Å; Y955-S958 WeakPolarHBondContact O-CB 3.47Å; Y955-S958 PolarHBondContact O-N 2.88Å; Y955-S958 VanDerWaalsContact O-N 3.16Å; I956-S958 VanDerWaalsContact C-N 3.31Å; I956-S958 PolarHBondContact O-N 2.84Å; S958-Y960 VanDerWaalsContact C-N 3.33Å; S958-Y960 PolarHBondContact O-N 3.46Å; S958-N961 PolarHBondContact O-N 3.05Å; S958-D962 WeakPolarHBondContact O-CB 3.38Å; S958-D962 PolarHBondContact O-N 3.34Å |
| 959 | I | 69.7 | Low | 64.5 | Low | 58 Ų | 58 | 92.4 Ų | 92.4 | 30% | 0.297 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 177.8 | -66.7 | 171.6 | 0 | 0 | 0 | 110.6 | Y955 I956 D962 H963 | Y955-I959 HydrophobicContact CD1-CD1 3.89Å; Y955-I959 HydrophobicContact CE1-CD1 3.37Å; Y955-I959 HydrophobicContact CE1-CG1 4.38Å; Y955-I959 HydrophobicContact CE2-CD1 4.28Å; Y955-I959 WeakPolarHBondContact O-CG1 3.5Å; Y955-I959 PolarHBondContact O-N 3.27Å; I956-I959 PolarHBondContact O-N 2.94Å; I959-D962 PolarHBondContact O-N 3.01Å; I959-H963 WeakPolarHBondContact O-CB 3.44Å; I959-H963 PolarHBondContact O-N 3.38Å |
| 960 | Y | 65.5 | Low | 62.9 | Low | 136 Ų | 136 | 97.9 Ų | 97.9 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 179.3 | -171.9 | -94.8 | 0 | 0 | 0 | 111.5 | I956 C957 S958 H963 L964 | I956-Y960 WeakPolarHBondContact O-CB 3.29Å; I956-Y960 PolarHBondContact O-N 3.36Å; C957-Y960 PolarHBondContact O-N 3.39Å; S958-Y960 VanDerWaalsContact C-N 3.33Å; S958-Y960 PolarHBondContact O-N 3.46Å; Y960-H963 PolarHBondContact O-N 2.94Å; Y960-L964 HydrophobicContact CE1-CD1 4.14Å; Y960-L964 WeakPolarHBondContact O-CB 3.39Å; Y960-L964 PolarHBondContact O-N 2.83Å |
| 961 | N | 69.7 | Low | 61 | Low | 49 Ų | 49 | 97.3 Ų | 97.3 | 26% | 0.262 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 176.5 | -74.8 | -35.8 | 0 | 0 | 0 | 112.1 | C957 S958 L964 V965 | C957-N961 VanDerWaalsContact O-CB 3.29Å; C957-N961 WeakPolarHBondContact O-CB 3.39Å; C957-N961 VanDerWaalsContact O-CG 3.22Å; C957-N961 PolarHBondContact O-N 3.06Å; C957-N961 PolarHBondContact O-ND2 2.91Å; S958-N961 PolarHBondContact O-N 3.05Å; N961-L964 PolarHBondContact O-N 3.25Å; N961-V965 WeakPolarHBondContact O-CB 3.49Å; N961-V965 VanDerWaalsContact O-CG2 3.26Å; N961-V965 WeakPolarHBondContact O-CG2 3.44Å; N961-V965 PolarHBondContact O-N 3.07Å |
| 962 | D | 65.5 | Low | 59.3 | Low | 96 Ų | 96 | 102.2 Ų | 102.2 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 174.9 | -77 | -19.9 | 0 | 0 | 0 | 111.5 | S958 I959 L964 V965 N966 | S958-D962 WeakPolarHBondContact O-CB 3.38Å; S958-D962 PolarHBondContact O-N 3.34Å; I959-D962 PolarHBondContact O-N 3.01Å; D962-L964 VanDerWaalsContact C-N 3.31Å; D962-L964 PolarHBondContact O-N 2.91Å; D962-V965 PolarHBondContact O-N 3.47Å; D962-N966 PolarHBondContact O-N 2.88Å; D962-N966 VanDerWaalsContact O-N 3.15Å; D962-N966 PolarHBondContact O-ND2 2.94Å |
| 963 | H | 56.8 | Low | 57.6 | Low | 136 Ų | 136 | 106.4 Ų | 106.4 | 63% | 0.63 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.1 | -35.3 | 173.3 | -97.5 | -81.5 | 0 | 0 | 0 | 112.7 | I959 Y960 S967 | I959-H963 WeakPolarHBondContact O-CB 3.44Å; I959-H963 PolarHBondContact O-N 3.38Å; Y960-H963 PolarHBondContact O-N 2.94Å; H963-S967 PolarHBondContact O-N 3.41Å |
| 964 | L | 55.8 | Low | 55.8 | Low | 77 Ų | 77 | 111 Ų | 111 | 40% | 0.403 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.8 | -40.1 | 178.4 | -149 | 80 | 0 | 0 | 0 | 111.7 | Y960 N961 D962 N966 S967 S968 | Y960-L964 HydrophobicContact CE1-CD1 4.14Å; Y960-L964 WeakPolarHBondContact O-CB 3.39Å; Y960-L964 PolarHBondContact O-N 2.83Å; N961-L964 PolarHBondContact O-N 3.25Å; D962-L964 VanDerWaalsContact C-N 3.31Å; D962-L964 PolarHBondContact O-N 2.91Å; L964-N966 VanDerWaalsContact C-N 3.26Å; L964-N966 PolarHBondContact O-N 2.71Å; L964-S967 PolarHBondContact O-N 2.91Å; L964-S968 PolarHBondContact O-N 3.49Å |
| 965 | V | 51.7 | Low | 54.2 | Low | 110 Ų | 110 | 110.4 Ų | 110.4 | 67% | 0.667 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.8 | -33.2 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | N961 D962 | N961-V965 WeakPolarHBondContact O-CB 3.49Å; N961-V965 VanDerWaalsContact O-CG2 3.26Å; N961-V965 WeakPolarHBondContact O-CG2 3.44Å; N961-V965 PolarHBondContact O-N 3.07Å; D962-V965 PolarHBondContact O-N 3.47Å |
| 966 | N | 48.9 | Very low | 52.8 | Low | 143 Ų | 143 | 105.5 Ų | 105.5 | 77% | 0.765 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -79.2 | -14.8 | 177.7 | -67.9 | -21.4 | 0 | 0 | 0 | 114.1 | D962 L964 | D962-N966 PolarHBondContact O-N 2.88Å; D962-N966 VanDerWaalsContact O-N 3.15Å; D962-N966 PolarHBondContact O-ND2 2.94Å; L964-N966 VanDerWaalsContact C-N 3.26Å; L964-N966 PolarHBondContact O-N 2.71Å |
| 967 | S | 42.4 | Very low | 51.4 | Low | 103 Ų | 103 | 104.8 Ų | 104.8 | 72% | 0.72 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -108.3 | -6.7 | -172.4 | -166.4 | 0 | 0 | 0 | 0 | 115.7 | H963 L964 | H963-S967 PolarHBondContact O-N 3.41Å; L964-S967 PolarHBondContact O-N 2.91Å |
| 968 | S | 40.6 | Very low | 50.4 | Low | 68 Ų | 68 | 107 Ų | 107 | 48% | 0.476 | 59% | 0.586 | S | S | . | * | trans | -152.3 | 100.3 | 178.3 | -160.3 | 0 | 0 | 0 | 0 | 113.4 | L964 N970 | L964-S968 PolarHBondContact O-N 3.49Å; S968-N970 VanDerWaalsContact C-N 3.28Å; S968-N970 PolarHBondContact O-N 3.27Å | ||
| 969 | Q | 39.9 | Very low | 49.3 | Very low | 186 Ų | 186 | 111.7 Ų | 111.7 | 87% | 0.869 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -82.2 | 4.8 | 175.9 | -163.5 | 152.7 | 4.7 | 0 | 0 | 113.8 | ||
| 970 | N | 39.2 | Very low | 48.4 | Very low | 156 Ų | 156 | 113.8 Ų | 113.8 | 83% | 0.834 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -151.8 | 65.4 | -176.7 | -77.2 | -40.1 | 0 | 0 | 0 | 114 | S968 | S968-N970 VanDerWaalsContact C-N 3.28Å; S968-N970 PolarHBondContact O-N 3.27Å |
| 971 | S | 37 | Very low | 47.5 | Very low | 93 Ų | 93 | 113.6 Ų | 113.6 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -175.1 | 128.3 | 153.6 | 54 | 0 | 0 | 0 | 0 | 112.6 | ||
| 972 | E | 39.9 | Very low | 46.4 | Very low | 192 Ų | 192 | 119.2 Ų | 119.2 | 90% | 0.897 | 65% | 0.654 | S | S | * | * | trans | 15.2 | 109.1 | 160.1 | -78.5 | 170.3 | 149.6 | 0 | 0 | 119.9 | F974 | E972-F974 PolarHBondContact O-N 2.93Š| ||
| 973 | T | 38.6 | Very low | 45.4 | Very low | 133 Ų | 133 | 121.4 Ų | 121.4 | 82% | 0.816 | 67% | 0.665 | S | S | * | * | trans | -21.6 | 89 | 157.5 | -40.4 | 0 | 0 | 0 | 0 | 116.1 | V975 | T973-V975 HydrophobicContact CG2-CG2 3.59Š| ||
| 974 | F | 41.8 | Very low | 45 | Very low | 161 Ų | 161 | 119.6 Ų | 119.6 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | trans | -102.1 | 77.8 | 157.9 | -167.9 | -105.8 | 0 | 0 | 0 | 109.2 | E972 V976 | E972-F974 PolarHBondContact O-N 2.93Å; F974-V976 HydrophobicContact CD1-CG2 3.8Å; F974-V976 HydrophobicContact CE1-CG2 3.64Å; F974-V976 PolarHBondContact O-N 2.79Å | ||
| 975 | V | 42.4 | Very low | 45 | Very low | 106 Ų | 106 | 119.2 Ų | 119.2 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | trans | -75.5 | 107.1 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 107.3 | T973 S977 | T973-V975 HydrophobicContact CG2-CG2 3.59Å; V975-S977 PolarHBondContact O-N 2.89Å | ||
| 976 | V | 43.7 | Very low | 45 | Very low | 42 Ų | 42 | 118.3 Ų | 118.3 | 26% | 0.255 | 66% | 0.662 | S | S | . | * | trans | -67.6 | 100.8 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | F974 | F974-V976 HydrophobicContact CD1-CG2 3.8Å; F974-V976 HydrophobicContact CE1-CG2 3.64Å; F974-V976 PolarHBondContact O-N 2.79Å | ||
| 977 | S | 46 | Very low | 45.8 | Very low | 70 Ų | 70 | 116.1 Ų | 116.1 | 49% | 0.49 | 66% | 0.658 | S | S | . | * | trans | -71.7 | 133.4 | 176.2 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | V975 D979 | V975-S977 PolarHBondContact O-N 2.89Å; S977-D979 PolarHBondContact O-N 3.46Å; S977-D979 VanDerWaalsContact O-N 3.13Å | ||
| 978 | P | 49.9 | Very low | 47 | Very low | 74 Ų | 74 | 117.7 Ų | 117.7 | 48% | 0.481 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -59.7 | -23.2 | -175.2 | -23.3 | 32.4 | 0 | 0 | 0 | 115.4 | S980 | P978-S980 VanDerWaalsContact C-N 3.29Å; P978-S980 PolarHBondContact O-N 2.94Å |
| 979 | D | 49.9 | Very low | 48.1 | Very low | 157 Ų | 157 | 117.8 Ų | 117.8 | 84% | 0.84 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -81 | -0.5 | -169.3 | -67.9 | -22.9 | 0 | 0 | 0 | 114.6 | S977 | S977-D979 PolarHBondContact O-N 3.46Å; S977-D979 VanDerWaalsContact O-N 3.13Å |
| 980 | S | 51.5 | Low | 49.7 | Very low | 102 Ų | 102 | 114 Ų | 114 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -92.2 | -2.8 | -177.3 | -169.2 | 0 | 0 | 0 | 0 | 115.2 | P978 E982 | P978-S980 VanDerWaalsContact C-N 3.29Å; P978-S980 PolarHBondContact O-N 2.94Å; S980-E982 PolarHBondContact O-N 3.09Å; S980-E982 VanDerWaalsContact O-N 3.1Å |
| 981 | F | 47.3 | Very low | 51.4 | Low | 131 Ų | 131 | 109.1 Ų | 109.1 | 58% | 0.575 | 61% | 0.608 | S | S | * | * | trans | -86.1 | 82.4 | 179.7 | -99.4 | -91.6 | 0 | 0 | 0 | 111.1 | L983 | F981-L983 PolarHBondContact O-N 2.9Š| ||
| 982 | E | 46.1 | Very low | 53.1 | Low | 168 Ų | 168 | 110.8 Ų | 110.8 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | trans | -55.9 | 127.9 | 162.2 | -79.8 | -174.9 | 157.3 | 0 | 0 | 109.5 | S980 A984 | S980-E982 PolarHBondContact O-N 3.09Å; S980-E982 VanDerWaalsContact O-N 3.1Å; E982-A984 PolarHBondContact O-N 3.27Å | ||
| 983 | L | 44 | Very low | 54.9 | Low | 142 Ų | 142 | 104.5 Ų | 104.5 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -63.4 | 12.2 | -173.4 | -156.1 | 69.8 | 0 | 0 | 0 | 114.6 | F981 N985 I986 | F981-L983 PolarHBondContact O-N 2.9Å; L983-N985 PolarHBondContact O-N 3.37Å; L983-I986 HydrophobicContact CG-CD1 4.21Å; L983-I986 HydrophobicContact CG-CG1 4.24Å; L983-I986 WeakPolarHBondContact O-CG1 3.49Å |
| 984 | A | 49.4 | Very low | 56.8 | Low | 98 Ų | 98 | 104.4 Ų | 104.4 | 81% | 0.81 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -72.8 | -6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | E982 | E982-A984 PolarHBondContact O-N 3.27Š|
| 985 | N | 53.9 | Low | 58.8 | Low | 68 Ų | 68 | 103.4 Ų | 103.4 | 36% | 0.364 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -119.2 | 31.2 | -170.5 | -152.3 | 8.7 | 0 | 0 | 0 | 113.8 | L983 S987 K988 V989 | L983-N985 PolarHBondContact O-N 3.37Å; N985-S987 PolarHBondContact O-N 3.2Å; N985-S987 VanDerWaalsContact O-N 3.16Å; N985-K988 PolarHBondContact O-N 2.93Å; N985-K988 VanDerWaalsContact O-N 3.09Å; N985-K988 WeakPolarHBondContact OD1-CB 3.4Å; N985-K988 WeakPolarHBondContact OD1-CD 3.41Å; N985-K988 VanDerWaalsContact OD1-CG 3.27Å; N985-K988 WeakPolarHBondContact OD1-CG 3.38Å; N985-V989 PolarHBondContact O-N 3.08Å |
| 986 | I | 52.4 | Low | 60.8 | Low | 91 Ų | 91 | 103.6 Ų | 103.6 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -47.6 | -44.2 | -178.1 | -72.1 | 160.4 | 0 | 0 | 0 | 112 | L983 K988 V989 F990 | L983-I986 HydrophobicContact CG-CD1 4.21Å; L983-I986 HydrophobicContact CG-CG1 4.24Å; L983-I986 WeakPolarHBondContact O-CG1 3.49Å; I986-K988 PolarHBondContact O-N 3.18Å; I986-V989 PolarHBondContact O-N 3.23Å; I986-F990 HydrophobicContact CG2-CD2 3.48Å; I986-F990 VanDerWaalsContact CG2-CD2 3.48Å; I986-F990 HydrophobicContact CG2-CE2 3.57Å; I986-F990 WeakPolarHBondContact O-CD2 3.43Å; I986-F990 PolarHBondContact O-N 3.29Å |
| 987 | S | 66.8 | Low | 62.7 | Low | 97 Ų | 97 | 104.5 Ų | 104.5 | 68% | 0.678 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63 | -40 | -178 | 178 | 0 | 0 | 0 | 0 | 113.4 | N985 S991 | N985-S987 PolarHBondContact O-N 3.2Å; N985-S987 VanDerWaalsContact O-N 3.16Å; S987-S991 WeakPolarHBondContact O-CB 3.44Å; S987-S991 PolarHBondContact O-N 3.42Å |
| 988 | K | 67.4 | Low | 64.5 | Low | 137 Ų | 137 | 105.6 Ų | 105.6 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.4 | -37.6 | 176.8 | -73.8 | -170.7 | -171.2 | 170.3 | 0 | 111.8 | N985 I986 S991 L992 | N985-K988 PolarHBondContact O-N 2.93Å; N985-K988 VanDerWaalsContact O-N 3.09Å; N985-K988 WeakPolarHBondContact OD1-CB 3.4Å; N985-K988 WeakPolarHBondContact OD1-CD 3.41Å; N985-K988 VanDerWaalsContact OD1-CG 3.27Å; N985-K988 WeakPolarHBondContact OD1-CG 3.38Å; I986-K988 PolarHBondContact O-N 3.18Å; K988-S991 PolarHBondContact O-N 2.95Å; K988-L992 WeakPolarHBondContact O-CB 3.33Å; K988-L992 PolarHBondContact O-N 2.94Å |
| 989 | V | 63.7 | Low | 66.4 | Low | 69 Ų | 69 | 107.9 Ų | 107.9 | 42% | 0.418 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.1 | -45.8 | 176.9 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | N985 I986 S991 L992 L993 | N985-V989 PolarHBondContact O-N 3.08Å; I986-V989 PolarHBondContact O-N 3.23Å; V989-S991 PolarHBondContact O-N 3.5Å; V989-L992 PolarHBondContact O-N 3.21Å; V989-L993 WeakPolarHBondContact O-CB 3.44Å; V989-L993 PolarHBondContact O-N 3.19Å |
| 990 | F | 74 | Confident | 68.3 | Low | 108 Ų | 108 | 106 Ų | 106 | 47% | 0.474 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.5 | -43 | 175.2 | -90.6 | -76.3 | 0 | 0 | 0 | 112.5 | I986 L992 L993 E994 | I986-F990 HydrophobicContact CG2-CD2 3.48Å; I986-F990 VanDerWaalsContact CG2-CD2 3.48Å; I986-F990 HydrophobicContact CG2-CE2 3.57Å; I986-F990 WeakPolarHBondContact O-CD2 3.43Å; I986-F990 PolarHBondContact O-N 3.29Å; F990-L992 PolarHBondContact O-N 3.42Å; F990-L993 PolarHBondContact O-N 3.25Å; F990-E994 WeakPolarHBondContact O-CB 3.37Å; F990-E994 PolarHBondContact O-N 2.81Å |
| 991 | S | 74.4 | Confident | 69.9 | Low | 53 Ų | 53 | 105.3 Ų | 105.3 | 37% | 0.371 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66 | -37.4 | 178.5 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | S987 K988 V989 K995 | S987-S991 WeakPolarHBondContact O-CB 3.44Å; S987-S991 PolarHBondContact O-N 3.42Å; K988-S991 PolarHBondContact O-N 2.95Å; V989-S991 PolarHBondContact O-N 3.5Å; S991-K995 VanDerWaalsContact O-CG 3.31Å; S991-K995 WeakPolarHBondContact O-CG 3.49Å; S991-K995 PolarHBondContact O-N 2.69Å; S991-K995 VanDerWaalsContact O-N 3.1Å |
| 992 | L | 73.1 | Confident | 71.8 | Confident | 127 Ų | 127 | 104.9 Ų | 104.9 | 67% | 0.665 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.9 | -40.6 | 172.3 | -108.2 | 135.2 | 0 | 0 | 0 | 111.7 | K988 V989 F990 K995 F996 | K988-L992 WeakPolarHBondContact O-CB 3.33Å; K988-L992 PolarHBondContact O-N 2.94Å; V989-L992 PolarHBondContact O-N 3.21Å; F990-L992 PolarHBondContact O-N 3.42Å; L992-K995 PolarHBondContact O-N 3.12Å; L992-F996 WeakPolarHBondContact O-CB 3.48Å; L992-F996 PolarHBondContact O-N 3.36Å |
| 993 | L | 77.3 | Confident | 73.8 | Confident | 61 Ų | 61 | 104.4 Ų | 104.4 | 32% | 0.319 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 178.5 | -173.2 | 63.9 | 0 | 0 | 0 | 111.7 | L952 V989 F990 F996 S997 | L952-L993 HydrophobicContact CD2-CD1 3.76Å; L952-L993 HydrophobicContact CD2-CD2 4.12Å; V989-L993 WeakPolarHBondContact O-CB 3.44Å; V989-L993 PolarHBondContact O-N 3.19Å; F990-L993 PolarHBondContact O-N 3.25Å; L993-F996 PolarHBondContact O-N 3.06Å; L993-S997 WeakPolarHBondContact O-CB 3.46Å; L993-S997 PolarHBondContact O-N 3.48Å |
| 994 | E | 78 | Confident | 76.1 | Confident | 130 Ų | 130 | 102.9 Ų | 102.9 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -45.8 | 175.9 | -172.1 | 171 | -153.6 | 0 | 0 | 111.3 | F990 F996 S997 I998 | F990-E994 WeakPolarHBondContact O-CB 3.37Å; F990-E994 PolarHBondContact O-N 2.81Å; E994-F996 VanDerWaalsContact C-N 3.32Å; E994-F996 PolarHBondContact O-N 3.03Å; E994-S997 WeakPolarHBondContact O-CB 3.2Å; E994-S997 PolarHBondContact O-N 3.48Å; E994-I998 HydrophobicContact CG-CD1 4.36Å; E994-I998 WeakPolarHBondContact O-CG1 3.4Å; E994-I998 PolarHBondContact O-N 3.14Å |
| 995 | K | 82.8 | Confident | 77.9 | Confident | 141 Ų | 141 | 103.1 Ų | 103.1 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.7 | -40.5 | 173.9 | -73 | 178.1 | -178.1 | -172.1 | 0 | 112.6 | S991 L992 K999 | S991-K995 VanDerWaalsContact O-CG 3.31Å; S991-K995 WeakPolarHBondContact O-CG 3.49Å; S991-K995 PolarHBondContact O-N 2.69Å; S991-K995 VanDerWaalsContact O-N 3.1Å; L992-K995 PolarHBondContact O-N 3.12Å; K995-K999 PolarHBondContact O-N 3.29Å |
| 996 | F | 84.3 | Confident | 79.6 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 48% | 0.478 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.1 | -177.9 | -97.5 | 0 | 0 | 0 | 111.3 | L992 L993 E994 I998 K999 F1000 | L992-F996 WeakPolarHBondContact O-CB 3.48Å; L992-F996 PolarHBondContact O-N 3.36Å; L993-F996 PolarHBondContact O-N 3.06Å; E994-F996 VanDerWaalsContact C-N 3.32Å; E994-F996 PolarHBondContact O-N 3.03Å; F996-I998 PolarHBondContact O-N 3.37Å; F996-K999 PolarHBondContact O-N 3.44Å; F996-F1000 VanDerWaalsContact O-CB 3.27Å; F996-F1000 WeakPolarHBondContact O-CB 3.5Å; F996-F1000 PolarHBondContact O-N 3.2Å |
| 997 | S | 83.9 | Confident | 81.3 | Confident | 62 Ų | 62 | 102.4 Ų | 102.4 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 177.5 | -151.9 | 0 | 0 | 0 | 0 | 111.8 | L993 E994 F1000 N1001 | L993-S997 WeakPolarHBondContact O-CB 3.46Å; L993-S997 PolarHBondContact O-N 3.48Å; E994-S997 WeakPolarHBondContact O-CB 3.2Å; E994-S997 PolarHBondContact O-N 3.48Å; S997-F1000 PolarHBondContact O-N 3.13Å; S997-N1001 PolarHBondContact O-N 3.25Å; S997-N1001 PolarHBondContact O-ND2 2.87Å |
| 998 | I | 85.3 | Confident | 82.4 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -51.5 | 174.4 | -65.9 | 164.7 | 0 | 0 | 0 | 110.4 | E994 F996 F1000 N1001 E1002 | E994-I998 HydrophobicContact CG-CD1 4.36Å; E994-I998 WeakPolarHBondContact O-CG1 3.4Å; E994-I998 PolarHBondContact O-N 3.14Å; F996-I998 PolarHBondContact O-N 3.37Å; I998-F1000 VanDerWaalsContact C-N 3.31Å; I998-F1000 PolarHBondContact O-N 3.4Å; I998-N1001 PolarHBondContact O-N 3.36Å; I998-E1002 PolarHBondContact O-N 3.4Å |
| 999 | K | 88.3 | Confident | 83.5 | Confident | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 177.2 | -90.4 | -166.4 | 174.2 | -167.4 | 0 | 112.6 | K995 F996 N1001 E1002 Y1003 | K995-K999 PolarHBondContact O-N 3.29Å; F996-K999 PolarHBondContact O-N 3.44Å; K999-N1001 VanDerWaalsContact C-N 3.34Å; K999-E1002 PolarHBondContact O-N 3.29Å; K999-Y1003 HydrophobicContact CB-CD2 4.48Å; K999-Y1003 WeakPolarHBondContact O-CD2 3.45Å; K999-Y1003 PolarHBondContact O-N 3.35Å |
| 1000 | F | 89.8 | Confident | 84.9 | Confident | 117 Ų | 117 | 102.4 Ų | 102.4 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 178.4 | -178.3 | -94.8 | 0 | 0 | 0 | 111.2 | F996 S997 I998 Y1003 K1004 | F996-F1000 VanDerWaalsContact O-CB 3.27Å; F996-F1000 WeakPolarHBondContact O-CB 3.5Å; F996-F1000 PolarHBondContact O-N 3.2Å; S997-F1000 PolarHBondContact O-N 3.13Å; I998-F1000 VanDerWaalsContact C-N 3.31Å; I998-F1000 PolarHBondContact O-N 3.4Å; F1000-Y1003 PolarHBondContact O-N 3.44Å; F1000-K1004 VanDerWaalsContact O-CB 3.26Å; F1000-K1004 WeakPolarHBondContact O-CB 3.37Å; F1000-K1004 PolarHBondContact O-N 3.15Å |
| 1001 | N | 86.7 | Confident | 85.7 | Confident | 88 Ų | 88 | 103 Ų | 103 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 174.1 | -75.9 | -29.1 | 0 | 0 | 0 | 112 | S997 I998 K999 K1004 I1005 | S997-N1001 PolarHBondContact O-N 3.25Å; S997-N1001 PolarHBondContact O-ND2 2.87Å; I998-N1001 PolarHBondContact O-N 3.36Å; K999-N1001 VanDerWaalsContact C-N 3.34Å; N1001-K1004 WeakPolarHBondContact O-CB 3.34Å; N1001-K1004 PolarHBondContact O-N 3.32Å; N1001-I1005 VanDerWaalsContact O-CG1 3.26Å; N1001-I1005 WeakPolarHBondContact O-CG1 3.45Å; N1001-I1005 PolarHBondContact O-N 3.45Å |
| 1002 | E | 86.8 | Confident | 86.5 | Confident | 122 Ų | 122 | 103.9 Ų | 103.9 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.9 | -46.7 | 173.7 | -72.6 | 178.6 | 163 | 0 | 0 | 111.8 | I998 K999 K1004 I1005 N1006 | I998-E1002 PolarHBondContact O-N 3.4Å; K999-E1002 PolarHBondContact O-N 3.29Å; E1002-K1004 VanDerWaalsContact C-N 3.32Å; E1002-K1004 PolarHBondContact O-N 2.89Å; E1002-I1005 PolarHBondContact O-N 3.45Å; E1002-N1006 VanDerWaalsContact O-CB 3.29Å; E1002-N1006 WeakPolarHBondContact O-CB 3.36Å; E1002-N1006 PolarHBondContact O-N 3.21Å |
| 1003 | Y | 88.2 | Confident | 87.4 | Confident | 157 Ų | 157 | 102.9 Ų | 102.9 | 62% | 0.616 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -37 | 176 | -81.2 | -64.4 | 0 | 0 | 0 | 112.6 | K999 F1000 N1006 S1007 | K999-Y1003 HydrophobicContact CB-CD2 4.48Å; K999-Y1003 WeakPolarHBondContact O-CD2 3.45Å; K999-Y1003 PolarHBondContact O-N 3.35Å; F1000-Y1003 PolarHBondContact O-N 3.44Å; Y1003-N1006 PolarHBondContact O-N 2.92Å; Y1003-S1007 WeakPolarHBondContact O-CB 3.45Å; Y1003-S1007 PolarHBondContact O-N 3.33Å |
| 1004 | K | 90.9 | Very high | 88.2 | Confident | 111 Ų | 111 | 107.3 Ų | 107.3 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -51.5 | 175.8 | -177.7 | 74.6 | -179.8 | 178.8 | 0 | 111 | F1000 N1001 E1002 N1006 S1007 D1008 | F1000-K1004 VanDerWaalsContact O-CB 3.26Å; F1000-K1004 WeakPolarHBondContact O-CB 3.37Å; F1000-K1004 PolarHBondContact O-N 3.15Å; N1001-K1004 WeakPolarHBondContact O-CB 3.34Å; N1001-K1004 PolarHBondContact O-N 3.32Å; E1002-K1004 VanDerWaalsContact C-N 3.32Å; E1002-K1004 PolarHBondContact O-N 2.89Å; K1004-N1006 VanDerWaalsContact C-N 3.28Å; K1004-N1006 PolarHBondContact O-N 3.23Å; K1004-S1007 WeakPolarHBondContact O-CB 3.47Å; K1004-S1007 PolarHBondContact O-N 3.28Å; K1004-D1008 PolarHBondContact O-N 2.88Å |
| 1005 | I | 88.8 | Confident | 88.8 | Confident | 102 Ų | 102 | 103.8 Ų | 103.8 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 176.6 | -67.8 | 164.4 | 0 | 0 | 0 | 110.3 | N1001 E1002 D1008 N1009 | N1001-I1005 VanDerWaalsContact O-CG1 3.26Å; N1001-I1005 WeakPolarHBondContact O-CG1 3.45Å; N1001-I1005 PolarHBondContact O-N 3.45Å; E1002-I1005 PolarHBondContact O-N 3.45Å; I1005-D1008 PolarHBondContact O-N 3.23Å; I1005-N1009 WeakPolarHBondContact O-CB 3.42Å; I1005-N1009 VanDerWaalsContact O-CG 3.29Å; I1005-N1009 PolarHBondContact O-N 3.48Å |
| 1006 | N | 88.2 | Confident | 89.2 | Confident | 74 Ų | 74 | 100.8 Ų | 100.8 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 178.2 | -163 | 40.5 | 0 | 0 | 0 | 112.2 | E1002 Y1003 K1004 N1009 F1010 | E1002-N1006 VanDerWaalsContact O-CB 3.29Å; E1002-N1006 WeakPolarHBondContact O-CB 3.36Å; E1002-N1006 PolarHBondContact O-N 3.21Å; Y1003-N1006 PolarHBondContact O-N 2.92Å; K1004-N1006 VanDerWaalsContact C-N 3.28Å; K1004-N1006 PolarHBondContact O-N 3.23Å; N1006-N1009 PolarHBondContact O-N 2.9Å; N1006-F1010 WeakPolarHBondContact ND2-CE2 3.25Å; N1006-F1010 WeakPolarHBondContact O-CD2 3.49Å; N1006-F1010 PolarHBondContact O-N 2.94Å |
| 1007 | S | 89 | Confident | 89.6 | Confident | 70 Ų | 70 | 100.6 Ų | 100.6 | 49% | 0.49 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 174 | -174 | 0 | 0 | 0 | 0 | 112 | Y1003 K1004 N1009 F1010 Q1011 | Y1003-S1007 WeakPolarHBondContact O-CB 3.45Å; Y1003-S1007 PolarHBondContact O-N 3.33Å; K1004-S1007 WeakPolarHBondContact O-CB 3.47Å; K1004-S1007 PolarHBondContact O-N 3.28Å; S1007-N1009 VanDerWaalsContact C-N 3.34Å; S1007-F1010 PolarHBondContact O-N 3.43Å; S1007-Q1011 WeakPolarHBondContact O-CB 3.44Å; S1007-Q1011 PolarHBondContact O-N 2.91Å |
| 1008 | D | 90.2 | Very high | 89.9 | Confident | 86 Ų | 86 | 100.2 Ų | 100.2 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -36.7 | 178.6 | -65.8 | -23.7 | 0 | 0 | 0 | 110.8 | K1004 I1005 Q1011 S1012 | K1004-D1008 PolarHBondContact O-N 2.88Å; I1005-D1008 PolarHBondContact O-N 3.23Å; D1008-Q1011 PolarHBondContact O-N 3.31Å; D1008-S1012 WeakPolarHBondContact O-CB 3.27Å; D1008-S1012 PolarHBondContact O-N 3.45Å |
| 1009 | N | 90.7 | Very high | 90.3 | Very high | 97 Ų | 97 | 100.6 Ų | 100.6 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 172.1 | -75.9 | -8.8 | 0 | 0 | 0 | 112.4 | I1005 N1006 S1007 Q1011 S1012 M1013 | I1005-N1009 WeakPolarHBondContact O-CB 3.42Å; I1005-N1009 VanDerWaalsContact O-CG 3.29Å; I1005-N1009 PolarHBondContact O-N 3.48Å; N1006-N1009 PolarHBondContact O-N 2.9Å; S1007-N1009 VanDerWaalsContact C-N 3.34Å; N1009-Q1011 VanDerWaalsContact C-N 3.33Å; N1009-Q1011 PolarHBondContact O-N 3.04Å; N1009-S1012 PolarHBondContact O-N 3.36Å; N1009-M1013 WeakPolarHBondContact O-CB 3.24Å; N1009-M1013 PolarHBondContact O-N 2.96Å |
| 1010 | F | 91.6 | Very high | 90.4 | Very high | 120 Ų | 120 | 97.6 Ų | 97.6 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 175 | -76.1 | -56.6 | 0 | 0 | 0 | 112.1 | N1006 S1007 S1012 M1013 Y1014 | N1006-F1010 WeakPolarHBondContact ND2-CE2 3.25Å; N1006-F1010 WeakPolarHBondContact O-CD2 3.49Å; N1006-F1010 PolarHBondContact O-N 2.94Å; S1007-F1010 PolarHBondContact O-N 3.43Å; F1010-S1012 VanDerWaalsContact C-N 3.34Å; F1010-M1013 HydrophobicContact CD1-CE 4.46Å; F1010-M1013 PolarHBondContact O-N 2.89Å; F1010-Y1014 VanDerWaalsContact O-CB 3.28Å; F1010-Y1014 WeakPolarHBondContact O-CB 3.31Å; F1010-Y1014 PolarHBondContact O-N 2.98Å |
| 1011 | Q | 91 | Very high | 90.5 | Very high | 122 Ų | 122 | 98.1 Ų | 98.1 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 175.3 | -173 | 63.6 | 29.8 | 0 | 0 | 111.4 | S1007 D1008 N1009 S1015 | S1007-Q1011 WeakPolarHBondContact O-CB 3.44Å; S1007-Q1011 PolarHBondContact O-N 2.91Å; D1008-Q1011 PolarHBondContact O-N 3.31Å; N1009-Q1011 VanDerWaalsContact C-N 3.33Å; N1009-Q1011 PolarHBondContact O-N 3.04Å; Q1011-S1015 WeakPolarHBondContact O-CB 3.49Å; Q1011-S1015 PolarHBondContact O-N 3.39Å |
| 1012 | S | 92.1 | Very high | 90.8 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 174.5 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | D1008 N1009 F1010 S1015 T1016 | D1008-S1012 WeakPolarHBondContact O-CB 3.27Å; D1008-S1012 PolarHBondContact O-N 3.45Å; N1009-S1012 PolarHBondContact O-N 3.36Å; F1010-S1012 VanDerWaalsContact C-N 3.34Å; S1012-S1015 PolarHBondContact O-N 2.87Å; S1012-T1016 WeakPolarHBondContact O-CB 3.44Å; S1012-T1016 PolarHBondContact O-N 3.42Å; S1012-T1016 PolarHBondContact O-OG1 3.36Å |
| 1013 | M | 92.4 | Very high | 91 | Very high | 106 Ų | 106 | 100.2 Ų | 100.2 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 176.4 | -169.5 | -165 | -61.8 | 0 | 0 | 111.3 | N1009 F1010 S1015 T1016 I1017 | N1009-M1013 WeakPolarHBondContact O-CB 3.24Å; N1009-M1013 PolarHBondContact O-N 2.96Å; F1010-M1013 HydrophobicContact CD1-CE 4.46Å; F1010-M1013 PolarHBondContact O-N 2.89Å; M1013-S1015 PolarHBondContact O-N 2.88Å; M1013-T1016 WeakPolarHBondContact O-CB 3.47Å; M1013-T1016 PolarHBondContact O-N 3.39Å; M1013-T1016 VanDerWaalsContact O-N 3.16Å; M1013-I1017 HydrophobicContact CG-CD1 4.11Å; M1013-I1017 WeakPolarHBondContact O-CG1 3.5Å; M1013-I1017 PolarHBondContact O-N 2.88Å |
| 1014 | Y | 92.3 | Very high | 91.2 | Very high | 154 Ų | 154 | 99.1 Ų | 99.1 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.8 | -46.6 | 175.7 | -176.4 | -94 | 0 | 0 | 0 | 111.2 | F1010 T1016 I1017 V1018 | F1010-Y1014 VanDerWaalsContact O-CB 3.28Å; F1010-Y1014 WeakPolarHBondContact O-CB 3.31Å; F1010-Y1014 PolarHBondContact O-N 2.98Å; Y1014-T1016 VanDerWaalsContact C-N 3.29Å; Y1014-T1016 PolarHBondContact O-N 3.32Å; Y1014-I1017 PolarHBondContact O-N 2.87Å; Y1014-V1018 HydrophobicContact CD1-CG2 4Å; Y1014-V1018 HydrophobicContact CE1-CG2 3.65Å; Y1014-V1018 HydrophobicContact CE2-CG2 4.44Å; Y1014-V1018 WeakPolarHBondContact O-CB 3.31Å; Y1014-V1018 VanDerWaalsContact O-CG2 3.28Å; Y1014-V1018 WeakPolarHBondContact O-CG2 3.34Å; Y1014-V1018 PolarHBondContact O-N 3.37Å |
| 1015 | S | 92.3 | Very high | 91.2 | Very high | 55 Ų | 55 | 98.8 Ų | 98.8 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 176.2 | -168.2 | 0 | 0 | 0 | 0 | 112.5 | Q1011 S1012 M1013 N1019 | Q1011-S1015 WeakPolarHBondContact O-CB 3.49Å; Q1011-S1015 PolarHBondContact O-N 3.39Å; S1012-S1015 PolarHBondContact O-N 2.87Å; M1013-S1015 PolarHBondContact O-N 2.88Å; S1015-N1019 WeakPolarHBondContact O-CB 3.04Å; S1015-N1019 PolarHBondContact O-N 2.93Å; S1015-N1019 PolarHBondContact O-ND2 2.9Å |
| 1016 | T | 91 | Very high | 91.3 | Very high | 79 Ų | 79 | 96.5 Ų | 96.5 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | S1012 M1013 Y1014 N1019 S1020 | S1012-T1016 WeakPolarHBondContact O-CB 3.44Å; S1012-T1016 PolarHBondContact O-N 3.42Å; S1012-T1016 PolarHBondContact O-OG1 3.36Å; M1013-T1016 WeakPolarHBondContact O-CB 3.47Å; M1013-T1016 PolarHBondContact O-N 3.39Å; M1013-T1016 VanDerWaalsContact O-N 3.16Å; Y1014-T1016 VanDerWaalsContact C-N 3.29Å; Y1014-T1016 PolarHBondContact O-N 3.32Å; T1016-N1019 PolarHBondContact O-N 2.86Å; T1016-S1020 WeakPolarHBondContact O-CB 3.45Å; T1016-S1020 PolarHBondContact O-N 3.15Å; T1016-S1020 PolarHBondContact O-OG 2.92Å |
| 1017 | I | 91.5 | Very high | 91.2 | Very high | 104 Ų | 104 | 95.8 Ų | 95.8 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 176.5 | -66.3 | 166.7 | 0 | 0 | 0 | 110.4 | M1013 Y1014 N1019 S1020 L1021 | M1013-I1017 HydrophobicContact CG-CD1 4.11Å; M1013-I1017 WeakPolarHBondContact O-CG1 3.5Å; M1013-I1017 PolarHBondContact O-N 2.88Å; Y1014-I1017 PolarHBondContact O-N 2.87Å; I1017-N1019 PolarHBondContact O-N 3.44Å; I1017-S1020 PolarHBondContact O-N 3.49Å; I1017-L1021 WeakPolarHBondContact O-CB 3.4Å; I1017-L1021 PolarHBondContact O-N 3.49Å |
| 1018 | V | 91.9 | Very high | 91.2 | Very high | 54 Ų | 54 | 95.9 Ų | 95.9 | 33% | 0.327 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 176.8 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | Y1014 S1020 L1021 Q1022 | Y1014-V1018 HydrophobicContact CD1-CG2 4Å; Y1014-V1018 HydrophobicContact CE1-CG2 3.65Å; Y1014-V1018 HydrophobicContact CE2-CG2 4.44Å; Y1014-V1018 WeakPolarHBondContact O-CB 3.31Å; Y1014-V1018 VanDerWaalsContact O-CG2 3.28Å; Y1014-V1018 WeakPolarHBondContact O-CG2 3.34Å; Y1014-V1018 PolarHBondContact O-N 3.37Å; V1018-S1020 PolarHBondContact O-N 3.43Å; V1018-L1021 PolarHBondContact O-N 2.99Å; V1018-Q1022 WeakPolarHBondContact O-CB 3.38Å; V1018-Q1022 PolarHBondContact O-N 3.05Å |
| 1019 | N | 92.8 | Very high | 91.2 | Very high | 101 Ų | 101 | 97 Ų | 97 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 176.7 | -71.8 | -17.7 | 0 | 0 | 0 | 112.1 | S1015 T1016 I1017 L1021 Q1022 Q1023 | S1015-N1019 WeakPolarHBondContact O-CB 3.04Å; S1015-N1019 PolarHBondContact O-N 2.93Å; S1015-N1019 PolarHBondContact O-ND2 2.9Å; T1016-N1019 PolarHBondContact O-N 2.86Å; I1017-N1019 PolarHBondContact O-N 3.44Å; N1019-L1021 VanDerWaalsContact C-N 3.34Å; N1019-Q1022 PolarHBondContact O-N 2.98Å; N1019-Q1023 WeakPolarHBondContact O-CB 3.47Å; N1019-Q1023 PolarHBondContact O-N 3.1Å |
| 1020 | S | 89.7 | Confident | 91.3 | Very high | 60 Ų | 60 | 97.8 Ų | 97.8 | 42% | 0.42 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | T1016 I1017 V1018 Q1023 K1024 | T1016-S1020 WeakPolarHBondContact O-CB 3.45Å; T1016-S1020 PolarHBondContact O-N 3.15Å; T1016-S1020 PolarHBondContact O-OG 2.92Å; I1017-S1020 PolarHBondContact O-N 3.49Å; V1018-S1020 PolarHBondContact O-N 3.43Å; S1020-Q1023 PolarHBondContact O-N 2.99Å; S1020-K1024 WeakPolarHBondContact O-CB 3.35Å; S1020-K1024 WeakPolarHBondContact O-CG 3.41Å; S1020-K1024 PolarHBondContact O-N 3.32Å |
| 1021 | L | 91.9 | Very high | 91.2 | Very high | 127 Ų | 127 | 99.6 Ų | 99.6 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.7 | -42.3 | 175.5 | -170.9 | 69 | 0 | 0 | 0 | 111.4 | I1017 V1018 N1019 Q1023 K1024 H1025 | I1017-L1021 WeakPolarHBondContact O-CB 3.4Å; I1017-L1021 PolarHBondContact O-N 3.49Å; V1018-L1021 PolarHBondContact O-N 2.99Å; N1019-L1021 VanDerWaalsContact C-N 3.34Å; L1021-Q1023 VanDerWaalsContact C-N 3.34Å; L1021-Q1023 PolarHBondContact O-N 3.31Å; L1021-K1024 PolarHBondContact O-N 2.97Å; L1021-H1025 WeakPolarHBondContact O-CB 3.47Å; L1021-H1025 PolarHBondContact O-N 3.24Å |
| 1022 | Q | 92.6 | Very high | 91.1 | Very high | 134 Ų | 134 | 99.8 Ų | 99.8 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 175.2 | -167.5 | 88.6 | 13.8 | 0 | 0 | 111.2 | V1018 N1019 H1025 A1026 | V1018-Q1022 WeakPolarHBondContact O-CB 3.38Å; V1018-Q1022 PolarHBondContact O-N 3.05Å; N1019-Q1022 PolarHBondContact O-N 2.98Å; Q1022-H1025 PolarHBondContact O-N 3.04Å; Q1022-A1026 PolarHBondContact O-N 2.97Å |
| 1023 | Q | 91.6 | Very high | 91.1 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -47 | 176.2 | -179.7 | 177.8 | -3.9 | 0 | 0 | 111.6 | N1019 S1020 L1021 H1025 A1026 E1027 | N1019-Q1023 WeakPolarHBondContact O-CB 3.47Å; N1019-Q1023 PolarHBondContact O-N 3.1Å; S1020-Q1023 PolarHBondContact O-N 2.99Å; L1021-Q1023 VanDerWaalsContact C-N 3.34Å; L1021-Q1023 PolarHBondContact O-N 3.31Å; Q1023-H1025 VanDerWaalsContact C-N 3.26Å; Q1023-H1025 PolarHBondContact O-N 3.1Å; Q1023-A1026 WeakPolarHBondContact O-CB 3.47Å; Q1023-A1026 PolarHBondContact O-N 3.36Å; Q1023-A1026 VanDerWaalsContact O-N 3.15Å; Q1023-E1027 PolarHBondContact NE2-OE1 3.25Å; Q1023-E1027 PolarHBondContact O-N 2.94Å |
| 1024 | K | 92.5 | Very high | 91.1 | Very high | 133 Ų | 133 | 103.5 Ų | 103.5 | 58% | 0.578 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -34 | 176.4 | -77.3 | -72.3 | 168.7 | -156 | 0 | 112.4 | S1020 L1021 E1027 S1028 | S1020-K1024 WeakPolarHBondContact O-CB 3.35Å; S1020-K1024 WeakPolarHBondContact O-CG 3.41Å; S1020-K1024 PolarHBondContact O-N 3.32Å; L1021-K1024 PolarHBondContact O-N 2.97Å; K1024-E1027 IonicContact NZ-OE2 3.29Å; K1024-E1027 PolarHBondContact NZ-OE2 2.87Å; K1024-S1028 WeakPolarHBondContact O-CB 3.48Å; K1024-S1028 PolarHBondContact O-N 3.03Å |
| 1025 | H | 92.1 | Very high | 90.8 | Very high | 104 Ų | 104 | 101.9 Ų | 101.9 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 172.6 | -174.9 | 55 | 0 | 0 | 0 | 111.9 | L1021 Q1022 Q1023 S1028 Q1029 | L1021-H1025 WeakPolarHBondContact O-CB 3.47Å; L1021-H1025 PolarHBondContact O-N 3.24Å; Q1022-H1025 PolarHBondContact O-N 3.04Å; Q1023-H1025 VanDerWaalsContact C-N 3.26Å; Q1023-H1025 PolarHBondContact O-N 3.1Å; H1025-S1028 PolarHBondContact O-N 3.38Å; H1025-Q1029 PolarHBondContact CD2-NE2 3.32Å; H1025-Q1029 PolarHBondContact CE1-NE2 2.95Å; H1025-Q1029 PolarHBondContact NE2-NE2 3.46Å; H1025-Q1029 WeakPolarHBondContact O-CG 3.4Å; H1025-Q1029 PolarHBondContact O-N 2.99Å |
| 1026 | A | 90.7 | Very high | 90.6 | Very high | 55 Ų | 55 | 104.4 Ų | 104.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1022 Q1023 Q1029 L1030 | Q1022-A1026 PolarHBondContact O-N 2.97Å; Q1023-A1026 WeakPolarHBondContact O-CB 3.47Å; Q1023-A1026 PolarHBondContact O-N 3.36Å; Q1023-A1026 VanDerWaalsContact O-N 3.15Å; A1026-Q1029 PolarHBondContact O-N 3.49Å; A1026-L1030 PolarHBondContact O-N 3.3Å; A1026-L1030 VanDerWaalsContact O-N 3.08Å |
| 1027 | E | 85.1 | Confident | 90.4 | Very high | 58 Ų | 58 | 105.8 Ų | 105.8 | 27% | 0.271 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 173.1 | -73.2 | 173 | -162.8 | 0 | 0 | 111.3 | Q1023 K1024 Q1029 L1030 Y1031 | Q1023-E1027 PolarHBondContact NE2-OE1 3.25Å; Q1023-E1027 PolarHBondContact O-N 2.94Å; K1024-E1027 IonicContact NZ-OE2 3.29Å; K1024-E1027 PolarHBondContact NZ-OE2 2.87Å; E1027-Q1029 VanDerWaalsContact C-N 3.3Å; E1027-Q1029 PolarHBondContact O-N 3.29Å; E1027-L1030 WeakPolarHBondContact O-CB 3.46Å; E1027-L1030 PolarHBondContact O-N 3.15Å; E1027-Y1031 HydrophobicContact CB-CE2 4.29Å; E1027-Y1031 WeakPolarHBondContact O-CD2 3.47Å; E1027-Y1031 PolarHBondContact O-N 3.02Å |
| 1028 | S | 88.5 | Confident | 90.1 | Very high | 72 Ų | 72 | 104 Ų | 104 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | K1024 H1025 H1032 | K1024-S1028 WeakPolarHBondContact O-CB 3.48Å; K1024-S1028 PolarHBondContact O-N 3.03Å; H1025-S1028 PolarHBondContact O-N 3.38Å; S1028-H1032 PolarHBondContact O-N 3.31Å; S1028-H1032 VanDerWaalsContact O-N 3.09Å |
| 1029 | Q | 91.5 | Very high | 89.9 | Confident | 111 Ų | 111 | 106.2 Ų | 106.2 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 174.8 | -72.5 | -179.3 | 3.8 | 0 | 0 | 111.4 | H1025 A1026 E1027 Y1031 H1032 E1033 | H1025-Q1029 PolarHBondContact CD2-NE2 3.32Å; H1025-Q1029 PolarHBondContact CE1-NE2 2.95Å; H1025-Q1029 PolarHBondContact NE2-NE2 3.46Å; H1025-Q1029 WeakPolarHBondContact O-CG 3.4Å; H1025-Q1029 PolarHBondContact O-N 2.99Å; A1026-Q1029 PolarHBondContact O-N 3.49Å; E1027-Q1029 VanDerWaalsContact C-N 3.3Å; E1027-Q1029 PolarHBondContact O-N 3.29Å; Q1029-Y1031 VanDerWaalsContact C-N 3.35Å; Q1029-Y1031 PolarHBondContact O-N 3.48Å; Q1029-H1032 WeakPolarHBondContact O-CB 3.28Å; Q1029-H1032 PolarHBondContact O-N 3.02Å; Q1029-E1033 PolarHBondContact O-N 2.77Å |
| 1030 | L | 92.7 | Very high | 89.7 | Confident | 112 Ų | 112 | 105.4 Ų | 105.4 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.5 | -42 | 176 | -169 | 99.6 | 0 | 0 | 0 | 111.8 | A1026 E1027 H1032 E1033 K1034 | A1026-L1030 PolarHBondContact O-N 3.3Å; A1026-L1030 VanDerWaalsContact O-N 3.08Å; E1027-L1030 WeakPolarHBondContact O-CB 3.46Å; E1027-L1030 PolarHBondContact O-N 3.15Å; L1030-H1032 VanDerWaalsContact C-N 3.33Å; L1030-H1032 PolarHBondContact O-N 3.29Å; L1030-E1033 PolarHBondContact O-N 2.93Å; L1030-K1034 WeakPolarHBondContact O-CB 3.32Å; L1030-K1034 PolarHBondContact O-N 3.44Å |
| 1031 | Y | 88.7 | Confident | 89.7 | Confident | 159 Ų | 159 | 108.4 Ų | 108.4 | 62% | 0.624 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.2 | -39.2 | 175 | -75.6 | -61.5 | 0 | 0 | 0 | 112.1 | E1027 Q1029 K1034 L1035 | E1027-Y1031 HydrophobicContact CB-CE2 4.29Å; E1027-Y1031 WeakPolarHBondContact O-CD2 3.47Å; E1027-Y1031 PolarHBondContact O-N 3.02Å; Q1029-Y1031 VanDerWaalsContact C-N 3.35Å; Q1029-Y1031 PolarHBondContact O-N 3.48Å; Y1031-K1034 PolarHBondContact O-N 3.17Å; Y1031-L1035 WeakPolarHBondContact O-CB 3.43Å; Y1031-L1035 PolarHBondContact O-N 3.35Å |
| 1032 | H | 89.7 | Confident | 89.3 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 176.4 | -172.2 | 69.8 | 0 | 0 | 0 | 112 | S1028 Q1029 L1030 K1034 L1035 Q1036 | S1028-H1032 PolarHBondContact O-N 3.31Å; S1028-H1032 VanDerWaalsContact O-N 3.09Å; Q1029-H1032 WeakPolarHBondContact O-CB 3.28Å; Q1029-H1032 PolarHBondContact O-N 3.02Å; L1030-H1032 VanDerWaalsContact C-N 3.33Å; L1030-H1032 PolarHBondContact O-N 3.29Å; H1032-K1034 PolarHBondContact O-N 3.37Å; H1032-L1035 PolarHBondContact O-N 2.91Å; H1032-Q1036 PolarHBondContact O-N 2.99Å |
| 1033 | E | 91 | Very high | 89.1 | Confident | 111 Ų | 111 | 105.5 Ų | 105.5 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 176.2 | -173.3 | 177.4 | -167.6 | 0 | 0 | 111.5 | Q1029 L1030 L1035 Q1036 H1037 | Q1029-E1033 PolarHBondContact O-N 2.77Å; L1030-E1033 PolarHBondContact O-N 2.93Å; E1033-L1035 VanDerWaalsContact C-N 3.35Å; E1033-L1035 PolarHBondContact O-N 3.04Å; E1033-Q1036 WeakPolarHBondContact O-CB 3.34Å; E1033-Q1036 PolarHBondContact O-N 3.39Å; E1033-H1037 PolarHBondContact O-CD2 2.89Å; E1033-H1037 VanDerWaalsContact O-CD2 3.28Å; E1033-H1037 PolarHBondContact O-N 3.41Å |
| 1034 | K | 92.3 | Very high | 89 | Confident | 145 Ų | 145 | 104.6 Ų | 104.6 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 176.1 | -171.5 | 173.5 | -177.9 | 178.7 | 0 | 112.5 | L1030 Y1031 H1032 Q1036 H1037 S1038 | L1030-K1034 WeakPolarHBondContact O-CB 3.32Å; L1030-K1034 PolarHBondContact O-N 3.44Å; Y1031-K1034 PolarHBondContact O-N 3.17Å; H1032-K1034 PolarHBondContact O-N 3.37Å; K1034-Q1036 VanDerWaalsContact C-N 3.33Å; K1034-H1037 WeakPolarHBondContact O-CB 3.45Å; K1034-H1037 PolarHBondContact O-N 2.88Å; K1034-S1038 PolarHBondContact O-N 3.07Å |
| 1035 | L | 86.1 | Confident | 88.7 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 63% | 0.628 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 175.6 | -172.7 | 68.8 | 0 | 0 | 0 | 111.2 | Y1031 H1032 E1033 H1037 S1038 L1039 | Y1031-L1035 WeakPolarHBondContact O-CB 3.43Å; Y1031-L1035 PolarHBondContact O-N 3.35Å; H1032-L1035 PolarHBondContact O-N 2.91Å; E1033-L1035 VanDerWaalsContact C-N 3.35Å; E1033-L1035 PolarHBondContact O-N 3.04Å; L1035-H1037 VanDerWaalsContact C-N 3.34Å; L1035-S1038 PolarHBondContact O-N 3.4Å; L1035-L1039 PolarHBondContact O-N 2.88Å |
| 1036 | Q | 88.1 | Confident | 88.6 | Confident | 108 Ų | 108 | 104.1 Ų | 104.1 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 175.3 | -166.6 | 168.2 | 19.3 | 0 | 0 | 111.8 | H1032 E1033 K1034 L1039 N1040 | H1032-Q1036 PolarHBondContact O-N 2.99Å; E1033-Q1036 WeakPolarHBondContact O-CB 3.34Å; E1033-Q1036 PolarHBondContact O-N 3.39Å; K1034-Q1036 VanDerWaalsContact C-N 3.33Å; Q1036-L1039 PolarHBondContact O-N 3.37Å; Q1036-N1040 VanDerWaalsContact O-CG 3.27Å; Q1036-N1040 PolarHBondContact O-N 3.39Å; Q1036-N1040 PolarHBondContact O-ND2 3.36Å |
| 1037 | H | 88 | Confident | 88.7 | Confident | 107 Ų | 107 | 106.6 Ų | 106.6 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 170.8 | -85.5 | -68.3 | 0 | 0 | 0 | 112.5 | E1033 K1034 L1035 L1039 N1040 E1041 | E1033-H1037 PolarHBondContact O-CD2 2.89Å; E1033-H1037 VanDerWaalsContact O-CD2 3.28Å; E1033-H1037 PolarHBondContact O-N 3.41Å; K1034-H1037 WeakPolarHBondContact O-CB 3.45Å; K1034-H1037 PolarHBondContact O-N 2.88Å; L1035-H1037 VanDerWaalsContact C-N 3.34Å; H1037-L1039 VanDerWaalsContact C-N 3.31Å; H1037-L1039 PolarHBondContact O-N 2.88Å; H1037-N1040 PolarHBondContact O-N 2.56Å; H1037-E1041 PolarHBondContact O-N 2.8Å |
| 1038 | S | 84.8 | Confident | 88.8 | Confident | 66 Ų | 66 | 111.4 Ų | 111.4 | 46% | 0.462 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 176.1 | -81.4 | 0 | 0 | 0 | 0 | 113.1 | K1034 L1035 E1041 L1042 | K1034-S1038 PolarHBondContact O-N 3.07Å; L1035-S1038 PolarHBondContact O-N 3.4Å; S1038-E1041 PolarHBondContact O-N 3.25Å; S1038-L1042 WeakPolarHBondContact O-CB 3.46Å; S1038-L1042 PolarHBondContact O-N 2.95Å |
| 1039 | L | 87 | Confident | 88.8 | Confident | 102 Ų | 102 | 115.9 Ų | 115.9 | 53% | 0.534 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 174.8 | -166.2 | 96.9 | 0 | 0 | 0 | 111.5 | L1035 Q1036 H1037 L1042 N1043 | L1035-L1039 PolarHBondContact O-N 2.88Å; Q1036-L1039 PolarHBondContact O-N 3.37Å; H1037-L1039 VanDerWaalsContact C-N 3.31Å; H1037-L1039 PolarHBondContact O-N 2.88Å; L1039-L1042 PolarHBondContact O-N 3.48Å; L1039-N1043 PolarHBondContact O-N 2.94Å; L1039-N1043 PolarHBondContact O-ND2 2.73Å |
| 1040 | N | 89.8 | Confident | 88.7 | Confident | 84 Ų | 84 | 115.1 Ų | 115.1 | 45% | 0.449 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.1 | -71.3 | -18.8 | 0 | 0 | 0 | 111.7 | Q1036 H1037 L1042 N1043 E1044 | Q1036-N1040 VanDerWaalsContact O-CG 3.27Å; Q1036-N1040 PolarHBondContact O-N 3.39Å; Q1036-N1040 PolarHBondContact O-ND2 3.36Å; H1037-N1040 PolarHBondContact O-N 2.56Å; N1040-L1042 VanDerWaalsContact C-N 3.32Å; N1040-L1042 PolarHBondContact O-N 3.47Å; N1040-N1043 PolarHBondContact O-N 2.86Å; N1040-E1044 PolarHBondContact O-N 2.87Å |
| 1041 | E | 89.1 | Confident | 88.6 | Confident | 122 Ų | 122 | 114.9 Ų | 114.9 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.7 | -40.3 | 174.3 | -73.8 | 179.9 | 173.3 | 0 | 0 | 112.1 | H1037 S1038 N1043 E1044 M1045 | H1037-E1041 PolarHBondContact O-N 2.8Å; S1038-E1041 PolarHBondContact O-N 3.25Å; E1041-N1043 VanDerWaalsContact C-N 3.34Å; E1041-N1043 PolarHBondContact O-N 3.34Å; E1041-E1044 PolarHBondContact O-N 3.29Å; E1041-M1045 WeakPolarHBondContact O-CB 3.47Å; E1041-M1045 WeakPolarHBondContact O-CG 3.43Å; E1041-M1045 PolarHBondContact O-N 3.45Å |
| 1042 | L | 84 | Confident | 88.3 | Confident | 115 Ų | 115 | 109.8 Ų | 109.8 | 60% | 0.602 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.9 | -39.3 | 176.3 | -174 | 65.4 | 0 | 0 | 0 | 112 | S1038 L1039 N1040 M1045 K1046 | S1038-L1042 WeakPolarHBondContact O-CB 3.46Å; S1038-L1042 PolarHBondContact O-N 2.95Å; L1039-L1042 PolarHBondContact O-N 3.48Å; N1040-L1042 VanDerWaalsContact C-N 3.32Å; N1040-L1042 PolarHBondContact O-N 3.47Å; L1042-M1045 PolarHBondContact O-N 3.26Å; L1042-K1046 WeakPolarHBondContact O-CB 3.49Å; L1042-K1046 PolarHBondContact O-N 2.88Å |
| 1043 | N | 88.5 | Confident | 88.2 | Confident | 86 Ų | 86 | 109.4 Ų | 109.4 | 46% | 0.46 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 175.5 | -75.5 | -32.1 | 0 | 0 | 0 | 112.2 | L1039 N1040 E1041 K1046 K1047 | L1039-N1043 PolarHBondContact O-N 2.94Å; L1039-N1043 PolarHBondContact O-ND2 2.73Å; N1040-N1043 PolarHBondContact O-N 2.86Å; E1041-N1043 VanDerWaalsContact C-N 3.34Å; E1041-N1043 PolarHBondContact O-N 3.34Å; N1043-K1046 WeakPolarHBondContact O-CB 3.47Å; N1043-K1046 PolarHBondContact O-N 2.98Å; N1043-K1047 PolarHBondContact O-N 3.42Å |
| 1044 | E | 89.7 | Confident | 88.2 | Confident | 102 Ų | 102 | 109.9 Ų | 109.9 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 174 | -74.9 | -64 | 139.2 | 0 | 0 | 111.8 | N1040 E1041 K1046 K1047 R1048 | N1040-E1044 PolarHBondContact O-N 2.87Å; E1041-E1044 PolarHBondContact O-N 3.29Å; E1044-K1046 VanDerWaalsContact C-N 3.33Å; E1044-K1046 PolarHBondContact O-N 3.17Å; E1044-K1047 PolarHBondContact O-N 2.97Å; E1044-R1048 WeakPolarHBondContact O-CG 3.35Å; E1044-R1048 PolarHBondContact O-N 3.03Å |
| 1045 | M | 85.1 | Confident | 88.2 | Confident | 112 Ų | 112 | 108.2 Ų | 108.2 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.8 | -37.2 | 174.8 | -73.9 | -64.7 | -74.4 | 0 | 0 | 112.3 | E1041 L1042 R1048 R1049 | E1041-M1045 WeakPolarHBondContact O-CB 3.47Å; E1041-M1045 WeakPolarHBondContact O-CG 3.43Å; E1041-M1045 PolarHBondContact O-N 3.45Å; L1042-M1045 PolarHBondContact O-N 3.26Å; M1045-R1048 PolarHBondContact O-N 2.97Å; M1045-R1049 WeakPolarHBondContact O-CB 3.4Å; M1045-R1049 PolarHBondContact O-N 3.03Å |
| 1046 | K | 89.9 | Confident | 88.1 | Confident | 114 Ų | 114 | 106.6 Ų | 106.6 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 174.2 | -171.8 | -173.8 | 177.8 | -163.9 | 0 | 111.1 | L1042 N1043 E1044 R1048 R1049 E1050 | L1042-K1046 WeakPolarHBondContact O-CB 3.49Å; L1042-K1046 PolarHBondContact O-N 2.88Å; N1043-K1046 WeakPolarHBondContact O-CB 3.47Å; N1043-K1046 PolarHBondContact O-N 2.98Å; E1044-K1046 VanDerWaalsContact C-N 3.33Å; E1044-K1046 PolarHBondContact O-N 3.17Å; K1046-R1048 PolarHBondContact O-N 3.36Å; K1046-R1049 WeakPolarHBondContact O-CB 3.36Å; K1046-R1049 PolarHBondContact O-N 3.21Å; K1046-E1050 VanDerWaalsContact CE-OE1 3.22Å; K1046-E1050 WeakPolarHBondContact CE-OE1 3.44Å; K1046-E1050 IonicContact NZ-OE1 3.4Å; K1046-E1050 WeakPolarHBondContact O-CG 3.31Å; K1046-E1050 PolarHBondContact O-N 3.07Å |
| 1047 | K | 92.5 | Very high | 88.1 | Confident | 108 Ų | 108 | 105.6 Ų | 105.6 | 47% | 0.47 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 176.5 | -176.2 | -177.6 | 173.6 | -170 | 0 | 112.2 | N1043 E1044 R1049 E1050 E1051 | N1043-K1047 PolarHBondContact O-N 3.42Å; E1044-K1047 PolarHBondContact O-N 2.97Å; K1047-R1049 VanDerWaalsContact C-N 3.29Å; K1047-R1049 PolarHBondContact O-N 3.39Å; K1047-E1050 PolarHBondContact O-N 3.45Å; K1047-E1051 VanDerWaalsContact CE-OE1 3.24Å; K1047-E1051 WeakPolarHBondContact CE-OE1 3.38Å; K1047-E1051 WeakPolarHBondContact O-CG 3.47Å; K1047-E1051 PolarHBondContact O-N 3.01Å |
| 1048 | R | 88.6 | Confident | 88.3 | Confident | 158 Ų | 158 | 103.2 Ų | 103.2 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -35.1 | 176.1 | -71 | -177.6 | -171.7 | -178.9 | 3.8 | 112.8 | E1044 M1045 K1046 A1052 | E1044-R1048 WeakPolarHBondContact O-CG 3.35Å; E1044-R1048 PolarHBondContact O-N 3.03Å; M1045-R1048 PolarHBondContact O-N 2.97Å; K1046-R1048 PolarHBondContact O-N 3.36Å; R1048-A1052 WeakPolarHBondContact O-CB 3.43Å; R1048-A1052 PolarHBondContact O-N 3.22Å |
| 1049 | R | 87.6 | Confident | 88.3 | Confident | 167 Ų | 167 | 104.7 Ų | 104.7 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -45.7 | 174.8 | -174.4 | -170.9 | -62.2 | 150.3 | 0.4 | 111.3 | M1045 K1046 K1047 E1051 A1052 E1053 | M1045-R1049 WeakPolarHBondContact O-CB 3.4Å; M1045-R1049 PolarHBondContact O-N 3.03Å; K1046-R1049 WeakPolarHBondContact O-CB 3.36Å; K1046-R1049 PolarHBondContact O-N 3.21Å; K1047-R1049 VanDerWaalsContact C-N 3.29Å; K1047-R1049 PolarHBondContact O-N 3.39Å; R1049-E1051 VanDerWaalsContact C-N 3.34Å; R1049-E1051 PolarHBondContact O-N 2.95Å; R1049-A1052 PolarHBondContact O-N 2.95Å; R1049-E1053 WeakPolarHBondContact O-CB 3.35Å; R1049-E1053 PolarHBondContact O-N 2.99Å |
| 1050 | E | 89.5 | Confident | 88.4 | Confident | 95 Ų | 95 | 108.6 Ų | 108.6 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 177.2 | -69.2 | 168 | -172.4 | 0 | 0 | 111.3 | K1046 K1047 E1053 I1054 | K1046-E1050 VanDerWaalsContact CE-OE1 3.22Å; K1046-E1050 WeakPolarHBondContact CE-OE1 3.44Å; K1046-E1050 IonicContact NZ-OE1 3.4Å; K1046-E1050 WeakPolarHBondContact O-CG 3.31Å; K1046-E1050 PolarHBondContact O-N 3.07Å; K1047-E1050 PolarHBondContact O-N 3.45Å; E1050-E1053 PolarHBondContact O-N 3.41Å; E1050-I1054 WeakPolarHBondContact O-CG1 3.39Å; E1050-I1054 PolarHBondContact O-N 3.37Å; E1050-I1054 VanDerWaalsContact O-N 3.13Å |
| 1051 | E | 91.1 | Very high | 88.3 | Confident | 106 Ų | 106 | 111.3 Ų | 111.3 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -42 | 174.6 | -71.4 | 171.3 | -177.2 | 0 | 0 | 112.4 | K1047 R1049 I1054 L1055 | K1047-E1051 VanDerWaalsContact CE-OE1 3.24Å; K1047-E1051 WeakPolarHBondContact CE-OE1 3.38Å; K1047-E1051 WeakPolarHBondContact O-CG 3.47Å; K1047-E1051 PolarHBondContact O-N 3.01Å; R1049-E1051 VanDerWaalsContact C-N 3.34Å; R1049-E1051 PolarHBondContact O-N 2.95Å; E1051-I1054 PolarHBondContact O-N 2.96Å; E1051-L1055 PolarHBondContact O-N 3.49Å |
| 1052 | A | 81.9 | Confident | 88.4 | Confident | 53 Ų | 53 | 110.9 Ų | 110.9 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1048 R1049 L1055 V1056 | R1048-A1052 WeakPolarHBondContact O-CB 3.43Å; R1048-A1052 PolarHBondContact O-N 3.22Å; R1049-A1052 PolarHBondContact O-N 2.95Å; A1052-L1055 PolarHBondContact O-N 3.36Å; A1052-V1056 WeakPolarHBondContact O-CG2 3.5Å; A1052-V1056 PolarHBondContact O-N 2.92Å |
| 1053 | E | 88.7 | Confident | 88.5 | Confident | 117 Ų | 117 | 111.2 Ų | 111.2 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 178 | -171 | 170.9 | -178.2 | 0 | 0 | 111.9 | R1049 E1050 L1055 V1056 N1057 | R1049-E1053 WeakPolarHBondContact O-CB 3.35Å; R1049-E1053 PolarHBondContact O-N 2.99Å; E1050-E1053 PolarHBondContact O-N 3.41Å; E1053-L1055 VanDerWaalsContact C-N 3.32Å; E1053-L1055 PolarHBondContact O-N 2.97Å; E1053-V1056 PolarHBondContact O-N 3.37Å; E1053-N1057 WeakPolarHBondContact O-CB 3.4Å; E1053-N1057 VanDerWaalsContact O-CG 3.27Å; E1053-N1057 PolarHBondContact O-N 3.33Å; E1053-N1057 PolarHBondContact O-ND2 2.94Å |
| 1054 | I | 90.4 | Very high | 88.3 | Confident | 121 Ų | 121 | 112.7 Ų | 112.7 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 173.1 | -66.1 | 165.5 | 0 | 0 | 0 | 110.8 | E1050 E1051 N1057 S1058 | E1050-I1054 WeakPolarHBondContact O-CG1 3.39Å; E1050-I1054 PolarHBondContact O-N 3.37Å; E1050-I1054 VanDerWaalsContact O-N 3.13Å; E1051-I1054 PolarHBondContact O-N 2.96Å; I1054-N1057 PolarHBondContact O-N 2.94Å; I1054-S1058 PolarHBondContact O-N 3.21Å |
| 1055 | L | 92.3 | Very high | 88.3 | Confident | 110 Ų | 110 | 112.3 Ų | 112.3 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 178.2 | -174.4 | 70.5 | 0 | 0 | 0 | 111.9 | E1051 A1052 E1053 N1057 S1058 L1059 | E1051-L1055 PolarHBondContact O-N 3.49Å; A1052-L1055 PolarHBondContact O-N 3.36Å; E1053-L1055 VanDerWaalsContact C-N 3.32Å; E1053-L1055 PolarHBondContact O-N 2.97Å; L1055-N1057 VanDerWaalsContact C-N 3.33Å; L1055-N1057 PolarHBondContact O-N 3.36Å; L1055-S1058 WeakPolarHBondContact O-CB 3.32Å; L1055-S1058 PolarHBondContact O-N 3.05Å; L1055-L1059 HydrophobicContact CG-CD1 4.49Å; L1055-L1059 PolarHBondContact O-N 3Å |
| 1056 | V | 84.4 | Confident | 88.2 | Confident | 85 Ų | 85 | 112.9 Ų | 112.9 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 177 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | A1052 E1053 L1059 R1060 | A1052-V1056 WeakPolarHBondContact O-CG2 3.5Å; A1052-V1056 PolarHBondContact O-N 2.92Å; E1053-V1056 PolarHBondContact O-N 3.37Å; V1056-L1059 PolarHBondContact O-N 3.15Å; V1056-R1060 WeakPolarHBondContact O-CB 3.36Å; V1056-R1060 PolarHBondContact O-N 3.5Å |
| 1057 | N | 88.1 | Confident | 87.9 | Confident | 88 Ų | 88 | 112.1 Ų | 112.1 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.5 | -71.2 | -26.1 | 0 | 0 | 0 | 111.7 | E1053 I1054 L1055 R1060 E1061 | E1053-N1057 WeakPolarHBondContact O-CB 3.4Å; E1053-N1057 VanDerWaalsContact O-CG 3.27Å; E1053-N1057 PolarHBondContact O-N 3.33Å; E1053-N1057 PolarHBondContact O-ND2 2.94Å; I1054-N1057 PolarHBondContact O-N 2.94Å; L1055-N1057 VanDerWaalsContact C-N 3.33Å; L1055-N1057 PolarHBondContact O-N 3.36Å; N1057-R1060 PolarHBondContact O-N 3.17Å; N1057-E1061 PolarHBondContact O-N 3.15Å |
| 1058 | S | 91.4 | Very high | 87.5 | Confident | 57 Ų | 57 | 113.6 Ų | 113.6 | 40% | 0.399 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.3 | -43.1 | 174.2 | 175.3 | 0 | 0 | 0 | 0 | 113.1 | I1054 L1055 E1061 Q1062 | I1054-S1058 PolarHBondContact O-N 3.21Å; L1055-S1058 WeakPolarHBondContact O-CB 3.32Å; L1055-S1058 PolarHBondContact O-N 3.05Å; S1058-E1061 PolarHBondContact O-N 3.4Å; S1058-Q1062 WeakPolarHBondContact O-CG 3.4Å; S1058-Q1062 PolarHBondContact O-N 2.9Å; S1058-Q1062 VanDerWaalsContact O-N 3.1Å; S1058-Q1062 PolarHBondContact OG-NE2 3.3Å |
| 1059 | L | 85.4 | Confident | 87.4 | Confident | 97 Ų | 97 | 110.7 Ų | 110.7 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 176.6 | -73.7 | 173.1 | 0 | 0 | 0 | 112 | L1055 V1056 E1061 Q1062 L1063 | L1055-L1059 HydrophobicContact CG-CD1 4.49Å; L1055-L1059 PolarHBondContact O-N 3Å; V1056-L1059 PolarHBondContact O-N 3.15Å; L1059-E1061 VanDerWaalsContact C-N 3.34Å; L1059-Q1062 PolarHBondContact O-N 3.42Å; L1059-L1063 WeakPolarHBondContact O-CB 3.5Å; L1059-L1063 PolarHBondContact O-N 2.86Å |
| 1060 | R | 89 | Confident | 87 | Confident | 183 Ų | 183 | 106.4 Ų | 106.4 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 175.1 | 179.2 | 177.6 | -80.6 | -111.1 | 0.4 | 111.8 | V1056 N1057 L1063 N1064 | V1056-R1060 WeakPolarHBondContact O-CB 3.36Å; V1056-R1060 PolarHBondContact O-N 3.5Å; N1057-R1060 PolarHBondContact O-N 3.17Å; R1060-L1063 PolarHBondContact O-N 3.16Å; R1060-N1064 PolarHBondContact O-N 2.91Å; R1060-N1064 VanDerWaalsContact O-N 3.12Å |
| 1061 | E | 87.2 | Confident | 86.5 | Confident | 142 Ų | 142 | 106.3 Ų | 106.3 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.5 | -47.1 | 174.5 | -165.1 | 103.1 | -152.1 | 0 | 0 | 111.1 | N1057 S1058 L1059 L1063 N1064 V1065 | N1057-E1061 PolarHBondContact O-N 3.15Å; S1058-E1061 PolarHBondContact O-N 3.4Å; L1059-E1061 VanDerWaalsContact C-N 3.34Å; E1061-L1063 PolarHBondContact O-N 3.46Å; E1061-N1064 PolarHBondContact O-N 3.32Å; E1061-V1065 WeakPolarHBondContact O-CG2 3.45Å; E1061-V1065 PolarHBondContact O-N 2.81Å; E1061-V1065 VanDerWaalsContact O-N 3.13Å |
| 1062 | Q | 90.9 | Very high | 86.1 | Confident | 112 Ų | 112 | 106.6 Ų | 106.6 | 52% | 0.523 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 178 | -72 | 176.8 | 68.1 | 0 | 0 | 112.8 | S1058 L1059 N1064 V1065 K1066 | S1058-Q1062 WeakPolarHBondContact O-CG 3.4Å; S1058-Q1062 PolarHBondContact O-N 2.9Å; S1058-Q1062 VanDerWaalsContact O-N 3.1Å; S1058-Q1062 PolarHBondContact OG-NE2 3.3Å; L1059-Q1062 PolarHBondContact O-N 3.42Å; Q1062-N1064 VanDerWaalsContact C-N 3.32Å; Q1062-N1064 PolarHBondContact O-N 3.36Å; Q1062-V1065 PolarHBondContact O-N 3.36Å; Q1062-K1066 WeakPolarHBondContact O-CG 3.34Å; Q1062-K1066 PolarHBondContact O-N 2.91Å |
| 1063 | L | 86.9 | Confident | 86 | Confident | 122 Ų | 122 | 108.9 Ų | 108.9 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.8 | -41.4 | 175.7 | -177 | 67 | 0 | 0 | 0 | 111.4 | L1059 R1060 E1061 V1065 K1066 Q1067 | L1059-L1063 WeakPolarHBondContact O-CB 3.5Å; L1059-L1063 PolarHBondContact O-N 2.86Å; R1060-L1063 PolarHBondContact O-N 3.16Å; E1061-L1063 PolarHBondContact O-N 3.46Å; L1063-V1065 PolarHBondContact O-N 2.87Å; L1063-K1066 PolarHBondContact O-N 2.96Å; L1063-Q1067 WeakPolarHBondContact O-CB 3.43Å; L1063-Q1067 PolarHBondContact O-N 3.33Å |
| 1064 | N | 84.3 | Confident | 85.6 | Confident | 118 Ų | 118 | 107.1 Ų | 107.1 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.9 | -40.2 | 179 | -162 | 24.6 | 0 | 0 | 0 | 111.7 | R1060 E1061 Q1062 Q1067 M1068 | R1060-N1064 PolarHBondContact O-N 2.91Å; R1060-N1064 VanDerWaalsContact O-N 3.12Å; E1061-N1064 PolarHBondContact O-N 3.32Å; Q1062-N1064 VanDerWaalsContact C-N 3.32Å; Q1062-N1064 PolarHBondContact O-N 3.36Å; N1064-Q1067 PolarHBondContact O-N 2.9Å; N1064-M1068 PolarHBondContact O-N 3.28Å |
| 1065 | V | 88.3 | Confident | 85.1 | Confident | 94 Ų | 94 | 108.8 Ų | 108.8 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.2 | -44.5 | 173.9 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | E1061 Q1062 L1063 M1068 E1069 | E1061-V1065 WeakPolarHBondContact O-CG2 3.45Å; E1061-V1065 PolarHBondContact O-N 2.81Å; E1061-V1065 VanDerWaalsContact O-N 3.13Å; Q1062-V1065 PolarHBondContact O-N 3.36Å; L1063-V1065 PolarHBondContact O-N 2.87Å; V1065-M1068 PolarHBondContact O-N 3.21Å; V1065-E1069 PolarHBondContact O-N 2.92Å |
| 1066 | K | 83.4 | Confident | 84.6 | Confident | 124 Ų | 124 | 110.9 Ų | 110.9 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.7 | -36.9 | -179.6 | -73.6 | -73.5 | 163.3 | -163.3 | 0 | 112.9 | Q1062 L1063 M1068 E1069 V1070 | Q1062-K1066 WeakPolarHBondContact O-CG 3.34Å; Q1062-K1066 PolarHBondContact O-N 2.91Å; L1063-K1066 PolarHBondContact O-N 2.96Å; K1066-M1068 VanDerWaalsContact C-N 3.3Å; K1066-M1068 PolarHBondContact O-N 3.39Å; K1066-E1069 IonicContact NZ-OE2 3.38Å; K1066-E1069 PolarHBondContact NZ-OE2 3.27Å; K1066-E1069 PolarHBondContact O-N 3.43Å; K1066-V1070 WeakPolarHBondContact O-CG2 3.4Å; K1066-V1070 PolarHBondContact O-N 2.97Å; K1066-V1070 VanDerWaalsContact O-N 3.12Å |
| 1067 | Q | 84.4 | Confident | 84.1 | Confident | 97 Ų | 97 | 110.6 Ų | 110.6 | 45% | 0.453 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.2 | -41.4 | 174.8 | -172.9 | 59.9 | 55.1 | 0 | 0 | 111.4 | L1063 N1064 E1069 V1070 D1071 | L1063-Q1067 WeakPolarHBondContact O-CB 3.43Å; L1063-Q1067 PolarHBondContact O-N 3.33Å; N1064-Q1067 PolarHBondContact O-N 2.9Å; Q1067-E1069 VanDerWaalsContact C-N 3.33Å; Q1067-E1069 PolarHBondContact O-N 3.4Å; Q1067-V1070 PolarHBondContact O-N 3.28Å; Q1067-D1071 PolarHBondContact NE2-OD1 3.4Å; Q1067-D1071 VanDerWaalsContact NE2-OD1 3.13Å; Q1067-D1071 PolarHBondContact O-N 3.45Å; Q1067-D1071 VanDerWaalsContact O-N 3.1Å |
| 1068 | M | 83.1 | Confident | 83.1 | Confident | 139 Ų | 139 | 113.1 Ų | 113.1 | 69% | 0.685 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.5 | -33.7 | 177.5 | -169.1 | 163.5 | 135.3 | 0 | 0 | 112.8 | N1064 V1065 K1066 D1072 | N1064-M1068 PolarHBondContact O-N 3.28Å; V1065-M1068 PolarHBondContact O-N 3.21Å; K1066-M1068 VanDerWaalsContact C-N 3.3Å; K1066-M1068 PolarHBondContact O-N 3.39Å; M1068-D1072 PolarHBondContact O-N 2.94Å |
| 1069 | E | 86.6 | Confident | 82.2 | Confident | 97 Ų | 97 | 114.1 Ų | 114.1 | 45% | 0.453 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.5 | -40.4 | 174.3 | -172.4 | 177.2 | -170.1 | 0 | 0 | 112.2 | V1065 K1066 Q1067 D1072 I1073 | V1065-E1069 PolarHBondContact O-N 2.92Å; K1066-E1069 IonicContact NZ-OE2 3.38Å; K1066-E1069 PolarHBondContact NZ-OE2 3.27Å; K1066-E1069 PolarHBondContact O-N 3.43Å; Q1067-E1069 VanDerWaalsContact C-N 3.33Å; Q1067-E1069 PolarHBondContact O-N 3.4Å; E1069-D1072 PolarHBondContact O-N 3.47Å; E1069-I1073 HydrophobicContact CG-CD1 4.45Å; E1069-I1073 WeakPolarHBondContact O-CG1 3.4Å; E1069-I1073 PolarHBondContact O-N 3.5Å |
| 1070 | V | 79.3 | Confident | 81 | Confident | 77 Ų | 77 | 116.1 Ų | 116.1 | 47% | 0.467 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65 | -43.5 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | K1066 Q1067 D1072 I1073 V1074 | K1066-V1070 WeakPolarHBondContact O-CG2 3.4Å; K1066-V1070 PolarHBondContact O-N 2.97Å; K1066-V1070 VanDerWaalsContact O-N 3.12Å; Q1067-V1070 PolarHBondContact O-N 3.28Å; V1070-D1072 VanDerWaalsContact C-N 3.27Å; V1070-D1072 PolarHBondContact O-N 3.3Å; V1070-I1073 PolarHBondContact O-N 3.43Å; V1070-V1074 HydrophobicContact CG1-CG2 4.42Å; V1070-V1074 WeakPolarHBondContact O-CG2 3.38Å; V1070-V1074 PolarHBondContact O-N 2.96Å |
| 1071 | D | 79.5 | Confident | 79.4 | Confident | 93 Ų | 93 | 112.7 Ų | 112.7 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.9 | -35.4 | -179.4 | -70.3 | -9.4 | 0 | 0 | 0 | 112 | Q1067 K1075 | Q1067-D1071 PolarHBondContact NE2-OD1 3.4Å; Q1067-D1071 VanDerWaalsContact NE2-OD1 3.13Å; Q1067-D1071 PolarHBondContact O-N 3.45Å; Q1067-D1071 VanDerWaalsContact O-N 3.1Å; D1071-K1075 PolarHBondContact O-N 2.99Å |
| 1072 | D | 82.5 | Confident | 77.8 | Confident | 112 Ų | 112 | 113.7 Ų | 113.7 | 60% | 0.599 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.2 | -41.5 | 175.4 | -100.8 | 3.6 | 0 | 0 | 0 | 112.6 | M1068 E1069 V1070 K1075 Q1076 | M1068-D1072 PolarHBondContact O-N 2.94Å; E1069-D1072 PolarHBondContact O-N 3.47Å; V1070-D1072 VanDerWaalsContact C-N 3.27Å; V1070-D1072 PolarHBondContact O-N 3.3Å; D1072-K1075 WeakPolarHBondContact O-CB 3.29Å; D1072-K1075 PolarHBondContact O-N 3.38Å; D1072-Q1076 PolarHBondContact O-N 2.97Å; D1072-Q1076 VanDerWaalsContact O-N 3.16Å |
| 1073 | I | 79.4 | Confident | 76.1 | Confident | 101 Ų | 101 | 113 Ų | 113 | 52% | 0.518 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.9 | -43.2 | 178.2 | -67.7 | 169 | 0 | 0 | 0 | 111.1 | E1069 V1070 K1075 Q1076 S1077 | E1069-I1073 HydrophobicContact CG-CD1 4.45Å; E1069-I1073 WeakPolarHBondContact O-CG1 3.4Å; E1069-I1073 PolarHBondContact O-N 3.5Å; V1070-I1073 PolarHBondContact O-N 3.43Å; I1073-K1075 VanDerWaalsContact C-N 3.26Å; I1073-K1075 PolarHBondContact O-N 2.87Å; I1073-Q1076 PolarHBondContact O-N 3.28Å; I1073-S1077 PolarHBondContact O-N 3.37Å |
| 1074 | V | 80.9 | Confident | 74.5 | Confident | 80 Ų | 80 | 112.1 Ų | 112.1 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.6 | -40.9 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | V1070 Q1076 S1077 M1078 | V1070-V1074 HydrophobicContact CG1-CG2 4.42Å; V1070-V1074 WeakPolarHBondContact O-CG2 3.38Å; V1070-V1074 PolarHBondContact O-N 2.96Å; V1074-Q1076 VanDerWaalsContact C-N 3.33Å; V1074-Q1076 PolarHBondContact O-N 3.23Å; V1074-S1077 PolarHBondContact O-N 2.96Å; V1074-M1078 PolarHBondContact O-N 2.95Å |
| 1075 | K | 80.6 | Confident | 72.5 | Confident | 157 Ų | 157 | 111 Ų | 111 | 68% | 0.683 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.5 | -38.2 | 178.2 | -145.9 | 174.1 | -171.5 | 175.9 | 0 | 112.4 | D1071 D1072 I1073 | D1071-K1075 PolarHBondContact O-N 2.99Å; D1072-K1075 WeakPolarHBondContact O-CB 3.29Å; D1072-K1075 PolarHBondContact O-N 3.38Å; I1073-K1075 VanDerWaalsContact C-N 3.26Å; I1073-K1075 PolarHBondContact O-N 2.87Å |
| 1076 | Q | 80.5 | Confident | 70.7 | Confident | 153 Ų | 153 | 110.6 Ų | 110.6 | 72% | 0.715 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.7 | -39 | 177.4 | -161.7 | 175 | 23.2 | 0 | 0 | 112.2 | D1072 I1073 V1074 S1079 | D1072-Q1076 PolarHBondContact O-N 2.97Å; D1072-Q1076 VanDerWaalsContact O-N 3.16Å; I1073-Q1076 PolarHBondContact O-N 3.28Å; V1074-Q1076 VanDerWaalsContact C-N 3.33Å; V1074-Q1076 PolarHBondContact O-N 3.23Å; Q1076-S1079 PolarHBondContact O-N 2.97Å |
| 1077 | S | 73.4 | Confident | 68.8 | Low | 80 Ų | 80 | 109.1 Ų | 109.1 | 56% | 0.559 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.9 | -42.9 | 176.4 | 169.8 | 0 | 0 | 0 | 0 | 112.7 | I1073 V1074 S1079 M1080 N1081 | I1073-S1077 PolarHBondContact O-N 3.37Å; V1074-S1077 PolarHBondContact O-N 2.96Å; S1077-S1079 VanDerWaalsContact C-N 3.29Å; S1077-S1079 PolarHBondContact O-N 3.38Å; S1077-M1080 PolarHBondContact O-N 3.41Å; S1077-N1081 PolarHBondContact O-N 3.49Å |
| 1078 | M | 68.7 | Low | 66.4 | Low | 141 Ų | 141 | 109.9 Ų | 109.9 | 70% | 0.695 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.3 | -36.4 | 179.6 | -71.8 | -176.5 | 73.1 | 0 | 0 | 112.7 | V1074 M1080 | V1074-M1078 PolarHBondContact O-N 2.95Å; M1078-M1080 PolarHBondContact O-N 3.37Å |
| 1079 | S | 71 | Confident | 64.2 | Low | 78 Ų | 78 | 112.7 Ų | 112.7 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.6 | -32.4 | 179 | 179.9 | 0 | 0 | 0 | 0 | 113.5 | Q1076 S1077 | Q1076-S1079 PolarHBondContact O-N 2.97Å; S1077-S1079 VanDerWaalsContact C-N 3.29Å; S1077-S1079 PolarHBondContact O-N 3.38Å |
| 1080 | M | 60.1 | Low | 61.8 | Low | 139 Ų | 139 | 117.2 Ų | 117.2 | 69% | 0.685 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75 | -34.6 | -176.9 | -176.6 | 162.4 | -91.4 | 0 | 0 | 112.7 | S1077 M1078 E1082 T1083 | S1077-M1080 PolarHBondContact O-N 3.41Å; M1078-M1080 PolarHBondContact O-N 3.37Å; M1080-E1082 VanDerWaalsContact C-N 3.33Å; M1080-E1082 PolarHBondContact O-N 3.44Å; M1080-T1083 PolarHBondContact O-N 3.49Å |
| 1081 | N | 55.7 | Low | 59.9 | Low | 111 Ų | 111 | 119.3 Ų | 119.3 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.3 | -27.9 | -176.9 | -156.5 | 36.6 | 0 | 0 | 0 | 113 | S1077 T1083 I1084 T1085 | S1077-N1081 PolarHBondContact O-N 3.49Å; N1081-T1083 PolarHBondContact O-N 2.87Å; N1081-I1084 PolarHBondContact O-N 3.3Å; N1081-T1085 PolarHBondContact O-OG1 3.13Å |
| 1082 | E | 53.9 | Low | 57.4 | Low | 162 Ų | 162 | 122.3 Ų | 122.3 | 76% | 0.757 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.7 | -27.6 | 175 | -124.1 | 174.3 | -176.4 | 0 | 0 | 112.4 | M1080 | M1080-E1082 VanDerWaalsContact C-N 3.33Å; M1080-E1082 PolarHBondContact O-N 3.44Å |
| 1083 | T | 56.7 | Low | 54.8 | Low | 97 Ų | 97 | 126.4 Ų | 126.4 | 60% | 0.595 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -80.1 | -34 | -177.3 | -51 | 0 | 0 | 0 | 0 | 112.8 | M1080 N1081 T1085 | M1080-T1083 PolarHBondContact O-N 3.49Å; N1081-T1083 PolarHBondContact O-N 2.87Å; T1083-T1085 PolarHBondContact O-N 2.96Å |
| 1084 | I | 51.7 | Low | 52.4 | Low | 104 Ų | 104 | 127.2 Ų | 127.2 | 53% | 0.533 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -71.4 | -34 | -174 | -61.2 | 172.6 | 0 | 0 | 0 | 110.9 | N1081 A1086 S1087 | N1081-I1084 PolarHBondContact O-N 3.3Å; I1084-A1086 VanDerWaalsContact C-N 3.27Å; I1084-A1086 PolarHBondContact O-N 2.64Å; I1084-S1087 PolarHBondContact O-N 2.97Å |
| 1085 | T | 43.7 | Very low | 49.9 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 59% | 0.589 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -21.6 | -175.3 | -43.6 | 0 | 0 | 0 | 0 | 113.5 | N1081 T1083 | N1081-T1085 PolarHBondContact O-OG1 3.13Å; T1083-T1085 PolarHBondContact O-N 2.96Å |
| 1086 | A | 48.8 | Very low | 47.4 | Very low | 85 Ų | 85 | 131 Ų | 131 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -23.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1084 | I1084-A1086 VanDerWaalsContact C-N 3.27Å; I1084-A1086 PolarHBondContact O-N 2.64Å |
| 1087 | S | 45.4 | Very low | 44.9 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -15.5 | -169 | -62 | 0 | 0 | 0 | 0 | 114.3 | I1084 | I1084-S1087 PolarHBondContact O-N 2.97Š|
| 1088 | T | 33.9 | Very low | 42.6 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -9.1 | -168.8 | -48.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1089 | K | 35.1 | Very low | 40.6 | Very low | 198 Ų | 198 | 133.4 Ų | 133.4 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 4.4 | -172.3 | -72.7 | -176 | 179.7 | 176.2 | 0 | 116.6 | ||
| 1090 | F | 37.3 | Very low | 38.5 | Very low | 193 Ų | 193 | 137 Ų | 137 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -106 | -1.4 | -166.4 | -169.4 | -106.3 | 0 | 0 | 0 | 116.8 | ||
| 1091 | V | 38.9 | Very low | 37.1 | Very low | 121 Ų | 121 | 138 Ų | 138 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -111.6 | -10.4 | -160.9 | 179 | 0 | 0 | 0 | 0 | 116.6 | Q1093 | V1091-Q1093 PolarHBondContact O-N 3.47Š| ||
| 1092 | D | 28.2 | Very low | 35.9 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | trans | -103.2 | 69.4 | -169.3 | -70.9 | -28.2 | 0 | 0 | 0 | 115 | ||||
| 1093 | Q | 27.8 | Very low | 35.5 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 93% | 0.925 | 74% | 0.738 | S | S | * | * | trans | -167.8 | 72 | 164.7 | -117.6 | 162.1 | 28 | 0 | 0 | 114.7 | V1091 | V1091-Q1093 PolarHBondContact O-N 3.47Š| ||
| 1094 | S | 28.9 | Very low | 34.8 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -166.7 | 104.5 | 167 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1095 | S | 27.5 | Very low | 34.2 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | 164.2 | 111.6 | 156.9 | -79.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1096 | K | 27.5 | Very low | 34.1 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -179.9 | 146.1 | 141.4 | -138.4 | -179.1 | 169.4 | 169.4 | 0 | 116 | ||||
| 1097 | T | 29.6 | Very low | 34.3 | Very low | 109 Ų | 109 | 144 Ų | 144 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | trans | 78.2 | 144.4 | 154.3 | 67.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1098 | H | 24.6 | Very low | 34.8 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | cis | -170.7 | 139.4 | 9.7 | -131.8 | -112 | 0 | 0 | 0 | 105.2 | ||||
| 1099 | F | 25.7 | Very low | 35.4 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 72% | 0.719 | 72% | 0.72 | S | S | * | * | 43.1 | 134.7 | 92.8 | -80.5 | -72.9 | 0 | 0 | 0 | 113.6 | |||||
| 1100 | E | 27.1 | Very low | 36.5 | Very low | 154 Ų | 154 | 138 Ų | 138 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | cis | 171.1 | -171.1 | 29.4 | -140.7 | 150 | -155.9 | 0 | 0 | 108.4 | ||||
| 1101 | E | 31.9 | Very low | 37.7 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | trans | 98.4 | 90.6 | 145.5 | -87.6 | -176.7 | 148.5 | 0 | 0 | 123.9 | ||||
| 1102 | E | 29.8 | Very low | 39.4 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 59% | 0.593 | 65% | 0.653 | S | S | * | * | 69 | 70 | 99.2 | -152.2 | 164 | -175.2 | 0 | 0 | 120.7 | S1104 K1108 | E1102-S1104 PolarHBondContact O-OG 2.95Å; E1102-K1108 IonicContact OE1-NZ 3.55Å | |||
| 1103 | T | 46.1 | Very low | 41.1 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 88% | 0.877 | 64% | 0.64 | S | S | * | * | trans | -125 | 128.7 | 150.3 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1104 | S | 42 | Very low | 43.2 | Very low | 60 Ų | 60 | 120.7 Ų | 120.7 | 42% | 0.42 | 62% | 0.624 | S | S | . | * | cis | 164.5 | 139.5 | -36.7 | -100.1 | 0 | 0 | 0 | 0 | 108.1 | E1102 K1108 | E1102-S1104 PolarHBondContact O-OG 2.95Å; S1104-K1108 WeakPolarHBondContact OG-CE 3.44Å; S1104-K1108 PolarHBondContact OG-NZ 3.35Å | ||
| 1105 | N | 39.4 | Very low | 45.6 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 58% | 0.578 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 135.1 | -75.5 | 154.5 | -21.6 | -59.2 | 0 | 0 | 0 | 116.7 | K1108 | N1105-K1108 VanDerWaalsContact C-N 3.35Å; N1105-K1108 VanDerWaalsContact CG-CE 3.4Å; N1105-K1108 VanDerWaalsContact O-CB 3.29Å; N1105-K1108 WeakPolarHBondContact O-CB 3.3Å; N1105-K1108 WeakPolarHBondContact OD1-CD 3.45Å; N1105-K1108 WeakPolarHBondContact OD1-CE 3.41Å; N1105-K1108 PolarHBondContact OD1-NZ 3.05Å |
| 1106 | E | 40.2 | Very low | 48.4 | Very low | 163 Ų | 163 | 119 Ų | 119 | 76% | 0.762 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -138.5 | -25.1 | -164.9 | -152.2 | 165.7 | 169.9 | 0 | 0 | 113.3 | K1108 L1109 I1110 | E1106-K1108 PolarHBondContact O-N 2.91Å; E1106-L1109 HydrophobicContact CG-CB 4.43Å; E1106-L1109 PolarHBondContact O-N 2.99Å; E1106-I1110 PolarHBondContact O-N 3.43Å |
| 1107 | E | 54.2 | Low | 51 | Low | 180 Ų | 180 | 116.1 Ų | 116.1 | 84% | 0.841 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | -64.7 | 18.1 | 127 | -155.4 | 180 | -144.2 | 0 | 0 | 111 | A1111 | E1107-A1111 HydrophobicContact CG-CB 4.18Å; E1107-A1111 WeakPolarHBondContact O-CB 3.5Å | |
| 1108 | K | 55.6 | Low | 53.6 | Low | 41 Ų | 41 | 113.5 Ų | 113.5 | 18% | 0.178 | 57% | 0.565 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -118.1 | 6 | 150.6 | -70.8 | -166.7 | -138.3 | 179.7 | 0 | 113.6 | E1102 S1104 N1105 E1106 E1112 | E1102-K1108 IonicContact OE1-NZ 3.55Å; S1104-K1108 WeakPolarHBondContact OG-CE 3.44Å; S1104-K1108 PolarHBondContact OG-NZ 3.35Å; N1105-K1108 VanDerWaalsContact C-N 3.35Å; N1105-K1108 VanDerWaalsContact CG-CE 3.4Å; N1105-K1108 VanDerWaalsContact O-CB 3.29Å; N1105-K1108 WeakPolarHBondContact O-CB 3.3Å; N1105-K1108 WeakPolarHBondContact OD1-CD 3.45Å; N1105-K1108 WeakPolarHBondContact OD1-CE 3.41Å; N1105-K1108 PolarHBondContact OD1-NZ 3.05Å; E1106-K1108 PolarHBondContact O-N 2.91Å; K1108-E1112 WeakPolarHBondContact O-CA 3.4Å; K1108-E1112 WeakPolarHBondContact O-CB 3.28Å; K1108-E1112 PolarHBondContact O-N 2.91Å |
| 1109 | L | 46.5 | Very low | 56.5 | Low | 111 Ų | 111 | 110 Ų | 110 | 58% | 0.581 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -45.9 | 173.2 | -152.7 | 86.6 | 0 | 0 | 0 | 115.7 | E1106 A1111 E1112 I1113 | E1106-L1109 HydrophobicContact CG-CB 4.43Å; E1106-L1109 PolarHBondContact O-N 2.99Å; L1109-A1111 VanDerWaalsContact C-N 3.33Å; L1109-E1112 HydrophobicContact CB-CB 4.35Å; L1109-E1112 HydrophobicContact CD1-CB 3.88Å; L1109-E1112 HydrophobicContact CD1-CG 4.32Å; L1109-E1112 HydrophobicContact CG-CB 4.12Å; L1109-E1112 CarbonylContact O-C 3.48Å; L1109-E1112 VanDerWaalsContact O-CA 3.25Å; L1109-E1112 WeakPolarHBondContact O-CA 3.48Å; L1109-E1112 WeakPolarHBondContact O-CB 3.49Å; L1109-E1112 PolarHBondContact O-N 3.26Å; L1109-I1113 PolarHBondContact O-N 2.82Å |
| 1110 | I | 58.3 | Low | 59.2 | Low | 126 Ų | 126 | 107.6 Ų | 107.6 | 65% | 0.646 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.1 | -36.5 | 159.5 | -73.4 | 171.2 | 0 | 0 | 0 | 109.2 | E1106 E1112 I1113 Q1114 | E1106-I1110 PolarHBondContact O-N 3.43Å; I1110-E1112 PolarHBondContact O-N 3.49Å; I1110-I1113 PolarHBondContact O-N 2.93Å; I1110-Q1114 VanDerWaalsContact O-CB 3.31Å; I1110-Q1114 WeakPolarHBondContact O-CB 3.36Å; I1110-Q1114 WeakPolarHBondContact O-CG 3.48Å; I1110-Q1114 PolarHBondContact O-N 3.11Å |
| 1111 | A | 61.4 | Low | 62.2 | Low | 22 Ų | 22 | 103.4 Ų | 103.4 | 18% | 0.182 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -71 | -3.5 | 155.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1107 L1109 R1115 | E1107-A1111 HydrophobicContact CG-CB 4.18Å; E1107-A1111 WeakPolarHBondContact O-CB 3.5Å; L1109-A1111 VanDerWaalsContact C-N 3.33Å; A1111-R1115 WeakPolarHBondContact O-CA 3.47Å; A1111-R1115 WeakPolarHBondContact O-CB 3.41Å; A1111-R1115 PolarHBondContact O-N 3.3Å |
| 1112 | E | 74.2 | Confident | 64.9 | Low | 44 Ų | 44 | 101 Ų | 101 | 21% | 0.206 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -77.1 | -44.1 | 163.6 | -176 | 66.1 | -172.5 | 0 | 0 | 107.5 | K1108 L1109 I1110 R1115 L1116 | K1108-E1112 WeakPolarHBondContact O-CA 3.4Å; K1108-E1112 WeakPolarHBondContact O-CB 3.28Å; K1108-E1112 PolarHBondContact O-N 2.91Å; L1109-E1112 HydrophobicContact CB-CB 4.35Å; L1109-E1112 HydrophobicContact CD1-CB 3.88Å; L1109-E1112 HydrophobicContact CD1-CG 4.32Å; L1109-E1112 HydrophobicContact CG-CB 4.12Å; L1109-E1112 CarbonylContact O-C 3.48Å; L1109-E1112 VanDerWaalsContact O-CA 3.25Å; L1109-E1112 WeakPolarHBondContact O-CA 3.48Å; L1109-E1112 WeakPolarHBondContact O-CB 3.49Å; L1109-E1112 PolarHBondContact O-N 3.26Å; I1110-E1112 PolarHBondContact O-N 3.49Å; E1112-R1115 CarbonylContact O-C 3.37Å; E1112-R1115 PolarHBondContact O-N 2.92Å; E1112-R1115 IonicContact OE1-CZ 3.49Å; E1112-R1115 IonicContact OE1-NE 3.25Å; E1112-R1115 IonicContact OE1-NH2 2.67Å; E1112-R1115 PolarHBondContact OE1-NH2 3.21Å; E1112-R1115 IonicContact OE2-CZ 3.87Å; E1112-R1115 IonicContact OE2-NE 3.51Å; E1112-R1115 PolarHBondContact OE2-NE 3.38Å; E1112-R1115 IonicContact OE2-NH2 2.86Å; E1112-R1115 PolarHBondContact OE2-NH2 3.3Å; E1112-L1116 HydrophobicContact CG-CD1 3.78Å; E1112-L1116 HydrophobicContact CG-CG 3.92Å; E1112-L1116 WeakPolarHBondContact O-CA 3.49Å; E1112-L1116 WeakPolarHBondContact O-CB 3.45Å; E1112-L1116 WeakPolarHBondContact O-CG 3.37Å; E1112-L1116 PolarHBondContact O-N 3.39Å |
| 1113 | I | 64.9 | Low | 67.8 | Low | 112 Ų | 112 | 98 Ų | 98 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -72.8 | -45.7 | -178.1 | -65 | 174.6 | 0 | 0 | 0 | 109.6 | L1109 I1110 R1115 L1116 Q1117 | L1109-I1113 PolarHBondContact O-N 2.82Å; I1110-I1113 PolarHBondContact O-N 2.93Å; I1113-R1115 VanDerWaalsContact C-N 3.31Å; I1113-L1116 PolarHBondContact O-N 2.91Å; I1113-L1116 VanDerWaalsContact O-N 3.17Å; I1113-Q1117 VanDerWaalsContact O-CB 3.3Å; I1113-Q1117 WeakPolarHBondContact O-CB 3.4Å; I1113-Q1117 PolarHBondContact O-N 3.13Å |
| 1114 | Q | 72.2 | Confident | 69.7 | Low | 124 Ų | 124 | 97.3 Ų | 97.3 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.5 | -35.8 | 169.6 | -68.3 | 175.7 | -35.7 | 0 | 0 | 110.9 | I1110 A1118 | I1110-Q1114 VanDerWaalsContact O-CB 3.31Å; I1110-Q1114 WeakPolarHBondContact O-CB 3.36Å; I1110-Q1114 WeakPolarHBondContact O-CG 3.48Å; I1110-Q1114 PolarHBondContact O-N 3.11Å; Q1114-A1118 WeakPolarHBondContact O-CA 3.28Å; Q1114-A1118 WeakPolarHBondContact O-CB 3.46Å; Q1114-A1118 PolarHBondContact O-N 2.82Å |
| 1115 | R | 79.8 | Confident | 72 | Confident | 119 Ų | 119 | 100.2 Ų | 100.2 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -32.5 | 169 | 176.8 | -176 | 95.6 | 96.8 | 3 | 112.2 | A1111 E1112 I1113 A1118 H1119 | A1111-R1115 WeakPolarHBondContact O-CA 3.47Å; A1111-R1115 WeakPolarHBondContact O-CB 3.41Å; A1111-R1115 PolarHBondContact O-N 3.3Å; E1112-R1115 CarbonylContact O-C 3.37Å; E1112-R1115 PolarHBondContact O-N 2.92Å; E1112-R1115 IonicContact OE1-CZ 3.49Å; E1112-R1115 IonicContact OE1-NE 3.25Å; E1112-R1115 IonicContact OE1-NH2 2.67Å; E1112-R1115 PolarHBondContact OE1-NH2 3.21Å; E1112-R1115 IonicContact OE2-CZ 3.87Å; E1112-R1115 IonicContact OE2-NE 3.51Å; E1112-R1115 PolarHBondContact OE2-NE 3.38Å; E1112-R1115 IonicContact OE2-NH2 2.86Å; E1112-R1115 PolarHBondContact OE2-NH2 3.3Å; I1113-R1115 VanDerWaalsContact C-N 3.31Å; R1115-A1118 CarbonylContact O-C 3.57Å; R1115-H1119 VanDerWaalsContact O-CA 3.22Å; R1115-H1119 WeakPolarHBondContact O-CA 3.47Å; R1115-H1119 WeakPolarHBondContact O-CB 3.36Å; R1115-H1119 PolarHBondContact O-N 2.91Å |
| 1116 | L | 85.3 | Confident | 74.2 | Confident | 88 Ų | 88 | 98.1 Ų | 98.1 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.6 | -38.1 | -178.8 | -83.4 | 172.6 | 0 | 0 | 0 | 108.3 | E1112 I1113 L1120 | E1112-L1116 HydrophobicContact CG-CD1 3.78Å; E1112-L1116 HydrophobicContact CG-CG 3.92Å; E1112-L1116 WeakPolarHBondContact O-CA 3.49Å; E1112-L1116 WeakPolarHBondContact O-CB 3.45Å; E1112-L1116 WeakPolarHBondContact O-CG 3.37Å; E1112-L1116 PolarHBondContact O-N 3.39Å; I1113-L1116 PolarHBondContact O-N 2.91Å; I1113-L1116 VanDerWaalsContact O-N 3.17Å; L1116-L1120 VanDerWaalsContact O-CB 3.3Å; L1116-L1120 WeakPolarHBondContact O-CB 3.47Å; L1116-L1120 PolarHBondContact O-N 3.41Å |
| 1117 | Q | 83.4 | Confident | 76.2 | Confident | 134 Ų | 134 | 97.9 Ų | 97.9 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.5 | -44.4 | 174.5 | -157.6 | 174.2 | 10.5 | 0 | 0 | 111 | I1113 H1119 L1120 V1121 | I1113-Q1117 VanDerWaalsContact O-CB 3.3Å; I1113-Q1117 WeakPolarHBondContact O-CB 3.4Å; I1113-Q1117 PolarHBondContact O-N 3.13Å; Q1117-H1119 VanDerWaalsContact C-N 3.3Å; Q1117-H1119 PolarHBondContact O-N 2.96Å; Q1117-L1120 PolarHBondContact O-N 3.4Å; Q1117-V1121 WeakPolarHBondContact O-CB 3.38Å; Q1117-V1121 WeakPolarHBondContact O-CG2 3.49Å; Q1117-V1121 PolarHBondContact O-N 2.9Å |
| 1118 | A | 82.4 | Confident | 77.9 | Confident | 53 Ų | 53 | 93.1 Ų | 93.1 | 44% | 0.438 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -31.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1114 R1115 V1121 E1122 | Q1114-A1118 WeakPolarHBondContact O-CA 3.28Å; Q1114-A1118 WeakPolarHBondContact O-CB 3.46Å; Q1114-A1118 PolarHBondContact O-N 2.82Å; R1115-A1118 CarbonylContact O-C 3.57Å; A1118-V1121 CarbonylContact O-C 3.59Å; A1118-E1122 WeakPolarHBondContact O-CA 3.43Å; A1118-E1122 WeakPolarHBondContact O-CB 3.39Å; A1118-E1122 PolarHBondContact O-N 3.39Å |
| 1119 | H | 85.5 | Confident | 79.6 | Confident | 77 Ų | 77 | 94 Ų | 94 | 36% | 0.356 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -78 | -32.3 | 174.9 | 178 | -90.3 | 0 | 0 | 0 | 110.4 | R1115 Q1117 M1123 | R1115-H1119 VanDerWaalsContact O-CA 3.22Å; R1115-H1119 WeakPolarHBondContact O-CA 3.47Å; R1115-H1119 WeakPolarHBondContact O-CB 3.36Å; R1115-H1119 PolarHBondContact O-N 2.91Å; Q1117-H1119 VanDerWaalsContact C-N 3.3Å; Q1117-H1119 PolarHBondContact O-N 2.96Å; H1119-M1123 WeakPolarHBondContact CE1-CE 3.36Å; H1119-M1123 WeakPolarHBondContact ND1-CE 3.44Å; H1119-M1123 WeakPolarHBondContact O-CA 3.07Å; H1119-M1123 WeakPolarHBondContact O-CB 3.37Å; H1119-M1123 PolarHBondContact O-N 3.05Å |
| 1120 | L | 83.3 | Confident | 81.7 | Confident | 115 Ų | 115 | 94.2 Ų | 94.2 | 60% | 0.602 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.9 | -44.2 | 171.5 | -150 | 87.2 | 0 | 0 | 0 | 109.4 | L1116 Q1117 M1123 E1124 | L1116-L1120 VanDerWaalsContact O-CB 3.3Å; L1116-L1120 WeakPolarHBondContact O-CB 3.47Å; L1116-L1120 PolarHBondContact O-N 3.41Å; Q1117-L1120 PolarHBondContact O-N 3.4Å; L1120-M1123 PolarHBondContact O-N 3.41Å; L1120-E1124 VanDerWaalsContact O-CB 3.22Å; L1120-E1124 WeakPolarHBondContact O-CB 3.46Å; L1120-E1124 PolarHBondContact O-N 3.34Å |
| 1121 | V | 89.6 | Confident | 83.2 | Confident | 66 Ų | 66 | 91 Ų | 91 | 40% | 0.4 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 173.5 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | Q1117 A1118 M1123 E1124 E1125 | Q1117-V1121 WeakPolarHBondContact O-CB 3.38Å; Q1117-V1121 WeakPolarHBondContact O-CG2 3.49Å; Q1117-V1121 PolarHBondContact O-N 2.9Å; A1118-V1121 CarbonylContact O-C 3.59Å; V1121-M1123 VanDerWaalsContact C-N 3.3Å; V1121-M1123 PolarHBondContact O-N 3.15Å; V1121-E1124 CarbonylContact O-C 3.51Å; V1121-E1124 PolarHBondContact O-N 3.48Å; V1121-E1125 HydrophobicContact CG1-CG 4.16Å; V1121-E1125 WeakPolarHBondContact CG1-OE1 3.45Å; V1121-E1125 WeakPolarHBondContact O-CA 3.38Å; V1121-E1125 WeakPolarHBondContact O-CB 3.38Å; V1121-E1125 VanDerWaalsContact O-CG 3.25Å; V1121-E1125 WeakPolarHBondContact O-CG 3.29Å; V1121-E1125 PolarHBondContact O-N 2.84Å |
| 1122 | E | 89.7 | Confident | 84.7 | Confident | 108 Ų | 108 | 94.2 Ų | 94.2 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -32.8 | 177.9 | 179.1 | -178.1 | -166.7 | 0 | 0 | 110.7 | A1118 E1125 S1126 | A1118-E1122 WeakPolarHBondContact O-CA 3.43Å; A1118-E1122 WeakPolarHBondContact O-CB 3.39Å; A1118-E1122 PolarHBondContact O-N 3.39Å; E1122-E1125 CarbonylContact O-C 3.59Å; E1122-S1126 WeakPolarHBondContact O-CA 3.38Å; E1122-S1126 WeakPolarHBondContact O-CB 3.4Å; E1122-S1126 PolarHBondContact O-N 2.71Å; E1122-S1126 PolarHBondContact O-OG 3.29Å |
| 1123 | M | 89.2 | Confident | 85.5 | Confident | 63 Ų | 63 | 96.4 Ų | 96.4 | 31% | 0.31 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72.4 | -39.4 | 173.6 | -176.8 | -169.3 | -57 | 0 | 0 | 110 | H1119 L1120 V1121 S1126 Y1127 | H1119-M1123 WeakPolarHBondContact CE1-CE 3.36Å; H1119-M1123 WeakPolarHBondContact ND1-CE 3.44Å; H1119-M1123 WeakPolarHBondContact O-CA 3.07Å; H1119-M1123 WeakPolarHBondContact O-CB 3.37Å; H1119-M1123 PolarHBondContact O-N 3.05Å; L1120-M1123 PolarHBondContact O-N 3.41Å; V1121-M1123 VanDerWaalsContact C-N 3.3Å; V1121-M1123 PolarHBondContact O-N 3.15Å; M1123-S1126 PolarHBondContact O-N 2.85Å; M1123-Y1127 HydrophobicContact CG-CD2 3.69Å; M1123-Y1127 HydrophobicContact CG-CE2 3.25Å; M1123-Y1127 VanDerWaalsContact O-CB 3.27Å; M1123-Y1127 WeakPolarHBondContact O-CB 3.39Å; M1123-Y1127 WeakPolarHBondContact O-CD2 3.48Å; M1123-Y1127 PolarHBondContact O-N 2.9Å; M1123-Y1127 HydrophobicContact SD-CD2 4.43Å; M1123-Y1127 HydrophobicContact SD-CE2 3.53Å; M1123-Y1127 VanDerWaalsContact SD-CE2 3.53Å |
| 1124 | E | 87.4 | Confident | 86.7 | Confident | 129 Ų | 129 | 93.2 Ų | 93.2 | 60% | 0.603 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.8 | -40.1 | 173.8 | -160.6 | 171 | -149.6 | 0 | 0 | 111 | L1120 V1121 Y1127 T1128 | L1120-E1124 VanDerWaalsContact O-CB 3.22Å; L1120-E1124 WeakPolarHBondContact O-CB 3.46Å; L1120-E1124 PolarHBondContact O-N 3.34Å; V1121-E1124 CarbonylContact O-C 3.51Å; V1121-E1124 PolarHBondContact O-N 3.48Å; E1124-Y1127 PolarHBondContact O-N 2.89Å; E1124-T1128 WeakPolarHBondContact O-CB 3.49Å; E1124-T1128 VanDerWaalsContact O-CG2 3.24Å; E1124-T1128 WeakPolarHBondContact O-CG2 3.47Å; E1124-T1128 PolarHBondContact O-N 3.3Å; E1124-T1128 PolarHBondContact O-OG1 2.94Å |
| 1125 | E | 90.5 | Very high | 87.6 | Confident | 121 Ų | 121 | 93.2 Ų | 93.2 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.5 | -36.7 | 170.2 | -76.6 | 179.3 | -179.2 | 0 | 0 | 111.1 | V1121 E1122 T1128 S1129 | V1121-E1125 HydrophobicContact CG1-CG 4.16Å; V1121-E1125 WeakPolarHBondContact CG1-OE1 3.45Å; V1121-E1125 WeakPolarHBondContact O-CA 3.38Å; V1121-E1125 WeakPolarHBondContact O-CB 3.38Å; V1121-E1125 VanDerWaalsContact O-CG 3.25Å; V1121-E1125 WeakPolarHBondContact O-CG 3.29Å; V1121-E1125 PolarHBondContact O-N 2.84Å; E1122-E1125 CarbonylContact O-C 3.59Å; E1125-T1128 WeakPolarHBondContact CA-OG1 3.28Å; E1125-T1128 PolarHBondContact O-OG1 2.89Å; E1125-S1129 WeakPolarHBondContact O-CA 3.43Å; E1125-S1129 WeakPolarHBondContact O-CB 3.4Å; E1125-S1129 PolarHBondContact O-N 3.33Å |
| 1126 | S | 84.7 | Confident | 88.2 | Confident | 64 Ų | 64 | 92.8 Ų | 92.8 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.6 | -38.4 | 175.5 | -67.4 | 0 | 0 | 0 | 0 | 110.7 | E1122 M1123 E1130 | E1122-S1126 WeakPolarHBondContact O-CA 3.38Å; E1122-S1126 WeakPolarHBondContact O-CB 3.4Å; E1122-S1126 PolarHBondContact O-N 2.71Å; E1122-S1126 PolarHBondContact O-OG 3.29Å; M1123-S1126 PolarHBondContact O-N 2.85Å; S1126-E1130 WeakPolarHBondContact O-CB 3.46Å; S1126-E1130 PolarHBondContact O-N 2.88Å |
| 1127 | Y | 83.3 | Confident | 88.5 | Confident | 159 Ų | 159 | 96.6 Ų | 96.6 | 62% | 0.624 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.4 | -39.2 | 173.9 | -74.8 | -43.6 | 0 | 0 | 0 | 111.3 | M1123 E1124 A1131 | M1123-Y1127 HydrophobicContact CG-CD2 3.69Å; M1123-Y1127 HydrophobicContact CG-CE2 3.25Å; M1123-Y1127 VanDerWaalsContact O-CB 3.27Å; M1123-Y1127 WeakPolarHBondContact O-CB 3.39Å; M1123-Y1127 WeakPolarHBondContact O-CD2 3.48Å; M1123-Y1127 PolarHBondContact O-N 2.9Å; M1123-Y1127 HydrophobicContact SD-CD2 4.43Å; M1123-Y1127 HydrophobicContact SD-CE2 3.53Å; M1123-Y1127 VanDerWaalsContact SD-CE2 3.53Å; E1124-Y1127 PolarHBondContact O-N 2.89Å; Y1127-A1131 WeakPolarHBondContact O-CB 3.41Å; Y1127-A1131 PolarHBondContact O-N 3.42Å |
| 1128 | T | 88.1 | Confident | 88.9 | Confident | 79 Ų | 79 | 94.6 Ų | 94.6 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.5 | -38.3 | 173.7 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | E1124 E1125 A1131 V1132 | E1124-T1128 WeakPolarHBondContact O-CB 3.49Å; E1124-T1128 VanDerWaalsContact O-CG2 3.24Å; E1124-T1128 WeakPolarHBondContact O-CG2 3.47Å; E1124-T1128 PolarHBondContact O-N 3.3Å; E1124-T1128 PolarHBondContact O-OG1 2.94Å; E1125-T1128 WeakPolarHBondContact CA-OG1 3.28Å; E1125-T1128 PolarHBondContact O-OG1 2.89Å; T1128-A1131 PolarHBondContact O-N 2.99Å; T1128-V1132 WeakPolarHBondContact O-CB 3.23Å; T1128-V1132 WeakPolarHBondContact O-CG2 3.49Å; T1128-V1132 PolarHBondContact O-N 2.88Å |
| 1129 | S | 92.4 | Very high | 89.5 | Confident | 59 Ų | 59 | 95.9 Ų | 95.9 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 173.2 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | E1125 A1131 V1132 I1133 | E1125-S1129 WeakPolarHBondContact O-CA 3.43Å; E1125-S1129 WeakPolarHBondContact O-CB 3.4Å; E1125-S1129 PolarHBondContact O-N 3.33Å; S1129-A1131 VanDerWaalsContact C-N 3.31Å; S1129-A1131 PolarHBondContact O-N 3.31Å; S1129-V1132 CarbonylContact O-C 3.55Å; S1129-V1132 PolarHBondContact O-N 3.45Å; S1129-I1133 WeakPolarHBondContact O-CB 3.28Å; S1129-I1133 WeakPolarHBondContact O-CD1 3.35Å; S1129-I1133 WeakPolarHBondContact O-CG1 3.34Å; S1129-I1133 PolarHBondContact O-N 2.83Å |
| 1130 | E | 90.2 | Very high | 89.9 | Confident | 116 Ų | 116 | 96.7 Ų | 96.7 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 175 | -177.2 | 59.8 | -155 | 0 | 0 | 111.2 | S1126 I1133 A1134 | S1126-E1130 WeakPolarHBondContact O-CB 3.46Å; S1126-E1130 PolarHBondContact O-N 2.88Å; E1130-I1133 PolarHBondContact O-N 2.99Å; E1130-A1134 WeakPolarHBondContact O-CB 3.47Å; E1130-A1134 PolarHBondContact O-N 3.4Å |
| 1131 | A | 91 | Very high | 90.3 | Very high | 59 Ų | 59 | 95.6 Ų | 95.6 | 49% | 0.488 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1127 T1128 S1129 A1134 E1135 | Y1127-A1131 WeakPolarHBondContact O-CB 3.41Å; Y1127-A1131 PolarHBondContact O-N 3.42Å; T1128-A1131 PolarHBondContact O-N 2.99Å; S1129-A1131 VanDerWaalsContact C-N 3.31Å; S1129-A1131 PolarHBondContact O-N 3.31Å; A1131-A1134 PolarHBondContact O-N 3.2Å; A1131-E1135 WeakPolarHBondContact O-CB 3.28Å; A1131-E1135 PolarHBondContact O-N 3.44Å |
| 1132 | V | 92.6 | Very high | 90.5 | Very high | 89 Ų | 89 | 100.1 Ų | 100.1 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 175.1 | 168 | 0 | 0 | 0 | 0 | 110.9 | T1128 S1129 A1134 E1135 N1136 | T1128-V1132 WeakPolarHBondContact O-CB 3.23Å; T1128-V1132 WeakPolarHBondContact O-CG2 3.49Å; T1128-V1132 PolarHBondContact O-N 2.88Å; S1129-V1132 CarbonylContact O-C 3.55Å; S1129-V1132 PolarHBondContact O-N 3.45Å; V1132-A1134 VanDerWaalsContact C-N 3.34Å; V1132-E1135 PolarHBondContact O-N 2.9Å; V1132-N1136 VanDerWaalsContact O-CB 3.28Å; V1132-N1136 WeakPolarHBondContact O-CB 3.35Å; V1132-N1136 PolarHBondContact O-N 3.42Å |
| 1133 | I | 90.9 | Very high | 90.7 | Very high | 90 Ų | 90 | 98.4 Ų | 98.4 | 46% | 0.462 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 174.8 | -69.8 | 163.5 | 0 | 0 | 0 | 109.6 | S1129 E1130 N1136 R1137 | S1129-I1133 WeakPolarHBondContact O-CB 3.28Å; S1129-I1133 WeakPolarHBondContact O-CD1 3.35Å; S1129-I1133 WeakPolarHBondContact O-CG1 3.34Å; S1129-I1133 PolarHBondContact O-N 2.83Å; E1130-I1133 PolarHBondContact O-N 2.99Å; I1133-N1136 PolarHBondContact O-N 2.86Å; I1133-R1137 VanDerWaalsContact O-CB 3.28Å; I1133-R1137 WeakPolarHBondContact O-CB 3.5Å; I1133-R1137 PolarHBondContact O-N 3.17Å |
| 1134 | A | 89.2 | Confident | 91 | Very high | 46 Ų | 46 | 102.4 Ų | 102.4 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1130 A1131 V1132 R1137 E1138 | E1130-A1134 WeakPolarHBondContact O-CB 3.47Å; E1130-A1134 PolarHBondContact O-N 3.4Å; A1131-A1134 PolarHBondContact O-N 3.2Å; V1132-A1134 VanDerWaalsContact C-N 3.34Å; A1134-R1137 PolarHBondContact O-N 3.39Å; A1134-E1138 WeakPolarHBondContact O-CB 3.44Å; A1134-E1138 PolarHBondContact O-N 3.44Å |
| 1135 | E | 90.4 | Very high | 91.3 | Very high | 123 Ų | 123 | 100.9 Ų | 100.9 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 173.2 | -176.5 | 179.7 | -170.4 | 0 | 0 | 110.8 | A1131 V1132 R1137 E1138 V1139 | A1131-E1135 WeakPolarHBondContact O-CB 3.28Å; A1131-E1135 PolarHBondContact O-N 3.44Å; V1132-E1135 PolarHBondContact O-N 2.9Å; E1135-R1137 VanDerWaalsContact C-N 3.33Å; E1135-R1137 PolarHBondContact O-N 3.34Å; E1135-E1138 CarbonylContact O-C 3.57Å; E1135-E1138 WeakPolarHBondContact O-CB 3.08Å; E1135-E1138 PolarHBondContact O-N 2.93Å; E1135-E1138 VanDerWaalsContact O-N 3.11Å; E1135-V1139 HydrophobicContact CG-CG2 4.48Å; E1135-V1139 VanDerWaalsContact O-CG2 3.32Å; E1135-V1139 WeakPolarHBondContact O-CG2 3.25Å; E1135-V1139 PolarHBondContact O-N 3.18Å |
| 1136 | N | 94 | Very high | 91.5 | Very high | 110 Ų | 110 | 102.5 Ų | 102.5 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 178.3 | -162.5 | 34.4 | 0 | 0 | 0 | 111.3 | V1132 I1133 V1139 E1140 | V1132-N1136 VanDerWaalsContact O-CB 3.28Å; V1132-N1136 WeakPolarHBondContact O-CB 3.35Å; V1132-N1136 PolarHBondContact O-N 3.42Å; I1133-N1136 PolarHBondContact O-N 2.86Å; N1136-V1139 PolarHBondContact O-N 3.22Å; N1136-E1140 WeakPolarHBondContact O-CB 3.44Å; N1136-E1140 PolarHBondContact O-N 3.38Å |
| 1137 | R | 90.9 | Very high | 91.9 | Very high | 169 Ų | 169 | 105.9 Ų | 105.9 | 64% | 0.638 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.1 | -39.9 | 171.5 | -178.7 | -179.8 | 176.3 | 169 | 0.7 | 111.6 | I1133 A1134 E1135 L1141 | I1133-R1137 VanDerWaalsContact O-CB 3.28Å; I1133-R1137 WeakPolarHBondContact O-CB 3.5Å; I1133-R1137 PolarHBondContact O-N 3.17Å; A1134-R1137 PolarHBondContact O-N 3.39Å; E1135-R1137 VanDerWaalsContact C-N 3.33Å; E1135-R1137 PolarHBondContact O-N 3.34Å; R1137-L1141 HydrophobicContact CG-CD1 4.12Å; R1137-L1141 HydrophobicContact CG-CG 4.46Å; R1137-L1141 VanDerWaalsContact O-CB 3.31Å; R1137-L1141 WeakPolarHBondContact O-CB 3.4Å; R1137-L1141 WeakPolarHBondContact O-CG 3.34Å; R1137-L1141 PolarHBondContact O-N 2.91Å |
| 1138 | E | 92.1 | Very high | 92.4 | Very high | 91 Ų | 91 | 102.8 Ų | 102.8 | 43% | 0.425 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 176.3 | -172.9 | -177.9 | 166.2 | 0 | 0 | 111.4 | A1134 E1135 L1141 R1142 | A1134-E1138 WeakPolarHBondContact O-CB 3.44Å; A1134-E1138 PolarHBondContact O-N 3.44Å; E1135-E1138 CarbonylContact O-C 3.57Å; E1135-E1138 WeakPolarHBondContact O-CB 3.08Å; E1135-E1138 PolarHBondContact O-N 2.93Å; E1135-E1138 VanDerWaalsContact O-N 3.11Å; E1138-L1141 PolarHBondContact O-N 3.3Å; E1138-R1142 WeakPolarHBondContact O-CB 3.29Å; E1138-R1142 WeakPolarHBondContact O-CG 3.35Å; E1138-R1142 PolarHBondContact O-N 3.22Å; E1138-R1142 IonicContact OE1-CZ 3.95Å; E1138-R1142 IonicContact OE1-NE 2.82Å; E1138-R1142 PolarHBondContact OE1-NE 2.96Å; E1138-R1142 IonicContact OE1-NH1 2.79Å; E1138-R1142 IonicContact OE1-NH2 3.88Å; E1138-R1142 PolarHBondContact OE1-NH2 3.46Å |
| 1139 | V | 93.8 | Very high | 92.7 | Very high | 81 Ų | 81 | 104.6 Ų | 104.6 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | E1135 N1136 R1142 S1143 | E1135-V1139 HydrophobicContact CG-CG2 4.48Å; E1135-V1139 VanDerWaalsContact O-CG2 3.32Å; E1135-V1139 WeakPolarHBondContact O-CG2 3.25Å; E1135-V1139 PolarHBondContact O-N 3.18Å; N1136-V1139 PolarHBondContact O-N 3.22Å; V1139-R1142 PolarHBondContact O-N 2.7Å; V1139-S1143 WeakPolarHBondContact O-CB 3.48Å; V1139-S1143 PolarHBondContact O-N 3.5Å |
| 1140 | E | 95.1 | Very high | 92.7 | Very high | 94 Ų | 94 | 109 Ų | 109 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 175.1 | -174 | -178.1 | -177 | 0 | 0 | 111.4 | N1136 R1142 S1143 R1144 | N1136-E1140 WeakPolarHBondContact O-CB 3.44Å; N1136-E1140 PolarHBondContact O-N 3.38Å; E1140-R1142 VanDerWaalsContact C-N 3.34Å; E1140-R1142 PolarHBondContact O-N 2.86Å; E1140-S1143 WeakPolarHBondContact O-CB 3.43Å; E1140-S1143 PolarHBondContact O-N 3.22Å; E1140-R1144 WeakPolarHBondContact O-CG 3.43Å; E1140-R1144 PolarHBondContact O-N 3.45Å; E1140-R1144 IonicContact OE1-CZ 3.12Å; E1140-R1144 IonicContact OE1-NE 3.53Å; E1140-R1144 PolarHBondContact OE1-NE 2.87Å; E1140-R1144 IonicContact OE1-NH2 2.66Å; E1140-R1144 PolarHBondContact OE1-NH2 3.29Å |
| 1141 | L | 92.5 | Very high | 92.9 | Very high | 91 Ų | 91 | 106.5 Ų | 106.5 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.7 | -74.9 | 173.9 | 0 | 0 | 0 | 111.8 | R1137 E1138 R1144 L1145 | R1137-L1141 HydrophobicContact CG-CD1 4.12Å; R1137-L1141 HydrophobicContact CG-CG 4.46Å; R1137-L1141 VanDerWaalsContact O-CB 3.31Å; R1137-L1141 WeakPolarHBondContact O-CB 3.4Å; R1137-L1141 WeakPolarHBondContact O-CG 3.34Å; R1137-L1141 PolarHBondContact O-N 2.91Å; E1138-L1141 PolarHBondContact O-N 3.3Å; L1141-R1144 PolarHBondContact O-N 2.85Å; L1141-L1145 VanDerWaalsContact O-CB 3.25Å; L1141-L1145 WeakPolarHBondContact O-CB 3.38Å; L1141-L1145 PolarHBondContact O-N 3.25Å |
| 1142 | R | 92.9 | Very high | 93.1 | Very high | 161 Ų | 161 | 110.2 Ų | 110.2 | 61% | 0.608 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.8 | -36.7 | 174.3 | -78.5 | -176.3 | 175.9 | 168.8 | 5.9 | 112.5 | E1138 V1139 E1140 L1145 K1146 | E1138-R1142 WeakPolarHBondContact O-CB 3.29Å; E1138-R1142 WeakPolarHBondContact O-CG 3.35Å; E1138-R1142 PolarHBondContact O-N 3.22Å; E1138-R1142 IonicContact OE1-CZ 3.95Å; E1138-R1142 IonicContact OE1-NE 2.82Å; E1138-R1142 PolarHBondContact OE1-NE 2.96Å; E1138-R1142 IonicContact OE1-NH1 2.79Å; E1138-R1142 IonicContact OE1-NH2 3.88Å; E1138-R1142 PolarHBondContact OE1-NH2 3.46Å; V1139-R1142 PolarHBondContact O-N 2.7Å; E1140-R1142 VanDerWaalsContact C-N 3.34Å; E1140-R1142 PolarHBondContact O-N 2.86Å; R1142-L1145 PolarHBondContact O-N 3.06Å; R1142-K1146 PolarHBondContact O-N 3.42Å |
| 1143 | S | 94.2 | Very high | 93 | Very high | 73 Ų | 73 | 108.2 Ų | 108.2 | 51% | 0.51 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -48.9 | 174.8 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | V1139 E1140 L1145 K1146 E1147 | V1139-S1143 WeakPolarHBondContact O-CB 3.48Å; V1139-S1143 PolarHBondContact O-N 3.5Å; E1140-S1143 WeakPolarHBondContact O-CB 3.43Å; E1140-S1143 PolarHBondContact O-N 3.22Å; S1143-L1145 VanDerWaalsContact C-N 3.32Å; S1143-L1145 PolarHBondContact O-N 3.18Å; S1143-K1146 WeakPolarHBondContact O-CB 3.11Å; S1143-K1146 PolarHBondContact O-N 2.9Å; S1143-E1147 PolarHBondContact O-N 2.98Å |
| 1144 | R | 95 | Very high | 93.1 | Very high | 147 Ų | 147 | 109.9 Ų | 109.9 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 174.7 | -71 | 179.4 | -178.5 | -174.3 | 1.2 | 111.9 | E1140 L1141 E1147 V1148 | E1140-R1144 WeakPolarHBondContact O-CG 3.43Å; E1140-R1144 PolarHBondContact O-N 3.45Å; E1140-R1144 IonicContact OE1-CZ 3.12Å; E1140-R1144 IonicContact OE1-NE 3.53Å; E1140-R1144 PolarHBondContact OE1-NE 2.87Å; E1140-R1144 IonicContact OE1-NH2 2.66Å; E1140-R1144 PolarHBondContact OE1-NH2 3.29Å; L1141-R1144 PolarHBondContact O-N 2.85Å; R1144-E1147 PolarHBondContact O-N 2.84Å; R1144-V1148 WeakPolarHBondContact O-CB 3.38Å; R1144-V1148 VanDerWaalsContact O-CG2 3.29Å; R1144-V1148 WeakPolarHBondContact O-CG2 3.49Å; R1144-V1148 PolarHBondContact O-N 3.47Å |
| 1145 | L | 93.6 | Very high | 93.2 | Very high | 97 Ų | 97 | 113.3 Ų | 113.3 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 177.5 | -159.8 | 159.8 | 0 | 0 | 0 | 111 | L1141 R1142 S1143 E1147 V1148 E1149 | L1141-L1145 VanDerWaalsContact O-CB 3.25Å; L1141-L1145 WeakPolarHBondContact O-CB 3.38Å; L1141-L1145 PolarHBondContact O-N 3.25Å; R1142-L1145 PolarHBondContact O-N 3.06Å; S1143-L1145 VanDerWaalsContact C-N 3.32Å; S1143-L1145 PolarHBondContact O-N 3.18Å; L1145-E1147 VanDerWaalsContact C-N 3.34Å; L1145-E1147 PolarHBondContact O-N 2.94Å; L1145-V1148 PolarHBondContact O-N 2.92Å; L1145-E1149 VanDerWaalsContact CD2-CD 3.43Å; L1145-E1149 HydrophobicContact CD2-CG 3.88Å; L1145-E1149 WeakPolarHBondContact CD2-OE1 3.31Å; L1145-E1149 WeakPolarHBondContact O-CB 3.5Å; L1145-E1149 WeakPolarHBondContact O-CG 3.45Å; L1145-E1149 PolarHBondContact O-N 3.01Å |
| 1146 | K | 94 | Very high | 93.4 | Very high | 155 Ų | 155 | 113.9 Ų | 113.9 | 67% | 0.674 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.5 | -40.8 | 172.7 | -95.3 | -174.9 | 176.7 | 178.7 | 0 | 113 | R1142 S1143 E1149 K1150 | R1142-K1146 PolarHBondContact O-N 3.42Å; S1143-K1146 WeakPolarHBondContact O-CB 3.11Å; S1143-K1146 PolarHBondContact O-N 2.9Å; K1146-E1149 PolarHBondContact O-N 2.86Å; K1146-K1150 WeakPolarHBondContact O-CB 3.34Å; K1146-K1150 PolarHBondContact O-N 3.37Å |
| 1147 | E | 94.2 | Very high | 93.4 | Very high | 135 Ų | 135 | 113.8 Ų | 113.8 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.4 | -41.9 | 177.5 | -175.9 | 144.9 | -143.3 | 0 | 0 | 111.5 | S1143 R1144 L1145 K1150 S1151 | S1143-E1147 PolarHBondContact O-N 2.98Å; R1144-E1147 PolarHBondContact O-N 2.84Å; L1145-E1147 VanDerWaalsContact C-N 3.34Å; L1145-E1147 PolarHBondContact O-N 2.94Å; E1147-K1150 PolarHBondContact O-N 3.45Å; E1147-S1151 WeakPolarHBondContact O-CB 3.49Å; E1147-S1151 PolarHBondContact O-N 3.35Å; E1147-S1151 PolarHBondContact O-OG 2.9Å |
| 1148 | V | 92.9 | Very high | 93.4 | Very high | 94 Ų | 94 | 108.9 Ų | 108.9 | 57% | 0.57 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 172.8 | 171 | 0 | 0 | 0 | 0 | 111 | R1144 L1145 K1150 S1151 F1152 | R1144-V1148 WeakPolarHBondContact O-CB 3.38Å; R1144-V1148 VanDerWaalsContact O-CG2 3.29Å; R1144-V1148 WeakPolarHBondContact O-CG2 3.49Å; R1144-V1148 PolarHBondContact O-N 3.47Å; L1145-V1148 PolarHBondContact O-N 2.92Å; V1148-K1150 VanDerWaalsContact C-N 3.34Å; V1148-K1150 PolarHBondContact O-N 3.28Å; V1148-S1151 WeakPolarHBondContact CA-OG 3.45Å; V1148-S1151 PolarHBondContact O-N 3.48Å; V1148-S1151 PolarHBondContact O-OG 2.89Å; V1148-F1152 WeakPolarHBondContact O-CB 3.47Å; V1148-F1152 PolarHBondContact O-N 3.14Å |
| 1149 | E | 94.2 | Very high | 93.3 | Very high | 117 Ų | 117 | 112.6 Ų | 112.6 | 55% | 0.547 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61 | -41 | 175.3 | -79 | 177.5 | 168.8 | 0 | 0 | 112.3 | L1145 K1146 F1152 A1153 | L1145-E1149 VanDerWaalsContact CD2-CD 3.43Å; L1145-E1149 HydrophobicContact CD2-CG 3.88Å; L1145-E1149 WeakPolarHBondContact CD2-OE1 3.31Å; L1145-E1149 WeakPolarHBondContact O-CB 3.5Å; L1145-E1149 WeakPolarHBondContact O-CG 3.45Å; L1145-E1149 PolarHBondContact O-N 3.01Å; K1146-E1149 PolarHBondContact O-N 2.86Å; E1149-F1152 PolarHBondContact O-N 3.45Å; E1149-A1153 WeakPolarHBondContact O-CB 2.87Å; E1149-A1153 PolarHBondContact O-N 3.37Å |
| 1150 | K | 94 | Very high | 93.2 | Very high | 152 Ų | 152 | 111.1 Ų | 111.1 | 66% | 0.661 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -44.5 | 174.6 | -175.9 | -176.1 | 175.2 | -172.2 | 0 | 111.3 | K1146 E1147 V1148 F1152 A1153 Q1154 | K1146-K1150 WeakPolarHBondContact O-CB 3.34Å; K1146-K1150 PolarHBondContact O-N 3.37Å; E1147-K1150 PolarHBondContact O-N 3.45Å; V1148-K1150 VanDerWaalsContact C-N 3.34Å; V1148-K1150 PolarHBondContact O-N 3.28Å; K1150-F1152 VanDerWaalsContact C-N 3.28Å; K1150-F1152 PolarHBondContact O-N 2.87Å; K1150-A1153 PolarHBondContact O-N 3.28Å; K1150-Q1154 WeakPolarHBondContact O-CB 3.11Å; K1150-Q1154 PolarHBondContact O-N 2.97Å |
| 1151 | S | 93.9 | Very high | 93 | Very high | 62 Ų | 62 | 110.1 Ų | 110.1 | 43% | 0.434 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 176.5 | 76.3 | 0 | 0 | 0 | 0 | 111.7 | E1147 V1148 Q1154 L1155 | E1147-S1151 WeakPolarHBondContact O-CB 3.49Å; E1147-S1151 PolarHBondContact O-N 3.35Å; E1147-S1151 PolarHBondContact O-OG 2.9Å; V1148-S1151 WeakPolarHBondContact CA-OG 3.45Å; V1148-S1151 PolarHBondContact O-N 3.48Å; V1148-S1151 PolarHBondContact O-OG 2.89Å; S1151-Q1154 PolarHBondContact O-N 3.26Å; S1151-L1155 VanDerWaalsContact O-CB 3.32Å; S1151-L1155 WeakPolarHBondContact O-CB 3.26Å; S1151-L1155 PolarHBondContact O-N 3.37Å |
| 1152 | F | 94.4 | Very high | 92.8 | Very high | 137 Ų | 137 | 108.2 Ų | 108.2 | 60% | 0.601 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.5 | -41.1 | 175.8 | -177.4 | -96.5 | 0 | 0 | 0 | 111.9 | V1148 E1149 K1150 L1155 K1156 | V1148-F1152 WeakPolarHBondContact O-CB 3.47Å; V1148-F1152 PolarHBondContact O-N 3.14Å; E1149-F1152 PolarHBondContact O-N 3.45Å; K1150-F1152 VanDerWaalsContact C-N 3.28Å; K1150-F1152 PolarHBondContact O-N 2.87Å; F1152-L1155 PolarHBondContact O-N 2.98Å; F1152-K1156 VanDerWaalsContact O-CB 3.28Å; F1152-K1156 WeakPolarHBondContact O-CB 3.38Å; F1152-K1156 PolarHBondContact O-N 2.83Å |
| 1153 | A | 91.8 | Very high | 92.7 | Very high | 47 Ų | 47 | 104.9 Ų | 104.9 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E1149 K1150 K1156 D1157 | E1149-A1153 WeakPolarHBondContact O-CB 2.87Å; E1149-A1153 PolarHBondContact O-N 3.37Å; K1150-A1153 PolarHBondContact O-N 3.28Å; A1153-K1156 WeakPolarHBondContact O-CB 3.47Å; A1153-K1156 PolarHBondContact O-N 3.36Å; A1153-D1157 PolarHBondContact O-N 3.4Å |
| 1154 | Q | 91.4 | Very high | 92.6 | Very high | 126 Ų | 126 | 105.5 Ų | 105.5 | 59% | 0.589 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 175.6 | -173.6 | 174.2 | 0.9 | 0 | 0 | 111.8 | K1150 S1151 K1156 D1157 S1158 | K1150-Q1154 WeakPolarHBondContact O-CB 3.11Å; K1150-Q1154 PolarHBondContact O-N 2.97Å; S1151-Q1154 PolarHBondContact O-N 3.26Å; Q1154-K1156 VanDerWaalsContact C-N 3.27Å; Q1154-K1156 PolarHBondContact O-N 2.91Å; Q1154-D1157 PolarHBondContact O-N 3.09Å; Q1154-S1158 PolarHBondContact O-N 2.95Å; Q1154-S1158 PolarHBondContact O-OG 3.21Å; Q1154-S1158 VanDerWaalsContact O-OG 3.08Å |
| 1155 | L | 92.7 | Very high | 92.5 | Very high | 118 Ų | 118 | 104.3 Ų | 104.3 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.6 | -37.6 | 175.8 | -177.1 | 64 | 0 | 0 | 0 | 111.8 | S1151 F1152 S1158 Y1159 | S1151-L1155 VanDerWaalsContact O-CB 3.32Å; S1151-L1155 WeakPolarHBondContact O-CB 3.26Å; S1151-L1155 PolarHBondContact O-N 3.37Å; F1152-L1155 PolarHBondContact O-N 2.98Å; L1155-S1158 PolarHBondContact O-N 3.37Å; L1155-Y1159 WeakPolarHBondContact O-CB 3.26Å; L1155-Y1159 PolarHBondContact O-N 3.3Å |
| 1156 | K | 94.5 | Very high | 92.5 | Very high | 135 Ų | 135 | 103.9 Ų | 103.9 | 59% | 0.587 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.7 | -42.5 | 176.4 | -176.8 | 179.3 | 179.9 | -179 | 0 | 112.2 | F1152 A1153 Q1154 S1158 Y1159 A1160 | F1152-K1156 VanDerWaalsContact O-CB 3.28Å; F1152-K1156 WeakPolarHBondContact O-CB 3.38Å; F1152-K1156 PolarHBondContact O-N 2.83Å; A1153-K1156 WeakPolarHBondContact O-CB 3.47Å; A1153-K1156 PolarHBondContact O-N 3.36Å; Q1154-K1156 VanDerWaalsContact C-N 3.27Å; Q1154-K1156 PolarHBondContact O-N 2.91Å; K1156-S1158 VanDerWaalsContact C-N 3.34Å; K1156-Y1159 PolarHBondContact O-N 3.41Å; K1156-A1160 PolarHBondContact O-N 3.22Å |
| 1157 | D | 92.5 | Very high | 92.4 | Very high | 107 Ų | 107 | 102.1 Ų | 102.1 | 57% | 0.572 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.3 | -37.6 | 175.9 | -68 | -18.8 | 0 | 0 | 0 | 111 | A1153 Q1154 A1160 T1161 | A1153-D1157 PolarHBondContact O-N 3.4Å; Q1154-D1157 PolarHBondContact O-N 3.09Å; D1157-A1160 PolarHBondContact O-N 2.88Å; D1157-T1161 WeakPolarHBondContact O-CB 3.32Å; D1157-T1161 PolarHBondContact O-N 3.46Å; D1157-T1161 PolarHBondContact O-OG1 2.81Å |
| 1158 | S | 90.9 | Very high | 92.2 | Very high | 67 Ų | 67 | 99.2 Ų | 99.2 | 47% | 0.469 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 171.4 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | Q1154 L1155 K1156 T1161 A1162 | Q1154-S1158 PolarHBondContact O-N 2.95Å; Q1154-S1158 PolarHBondContact O-OG 3.21Å; Q1154-S1158 VanDerWaalsContact O-OG 3.08Å; L1155-S1158 PolarHBondContact O-N 3.37Å; K1156-S1158 VanDerWaalsContact C-N 3.34Å; S1158-T1161 PolarHBondContact O-N 3.39Å; S1158-A1162 WeakPolarHBondContact O-CB 3.25Å; S1158-A1162 PolarHBondContact O-N 3.49Å |
| 1159 | Y | 90.1 | Very high | 92.1 | Very high | 169 Ų | 169 | 97.2 Ų | 97.2 | 66% | 0.663 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 175.8 | -176.8 | -90.4 | 0 | 0 | 0 | 112 | L1155 K1156 T1161 A1162 D1163 | L1155-Y1159 WeakPolarHBondContact O-CB 3.26Å; L1155-Y1159 PolarHBondContact O-N 3.3Å; K1156-Y1159 PolarHBondContact O-N 3.41Å; Y1159-T1161 VanDerWaalsContact C-N 3.3Å; Y1159-T1161 PolarHBondContact O-N 2.81Å; Y1159-A1162 PolarHBondContact O-N 3.24Å; Y1159-D1163 WeakPolarHBondContact O-CB 3.28Å; Y1159-D1163 PolarHBondContact O-N 2.81Å |
| 1160 | A | 92 | Very high | 92 | Very high | 50 Ų | 50 | 96.8 Ų | 96.8 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1156 D1157 D1163 T1164 | K1156-A1160 PolarHBondContact O-N 3.22Å; D1157-A1160 PolarHBondContact O-N 2.88Å; A1160-D1163 PolarHBondContact O-N 3.49Å; A1160-T1164 WeakPolarHBondContact O-CG2 3.46Å; A1160-T1164 PolarHBondContact O-N 2.78Å; A1160-T1164 PolarHBondContact O-OG1 3.01Å |
| 1161 | T | 91.1 | Very high | 92 | Very high | 72 Ų | 72 | 92.1 Ų | 92.1 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 175.6 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | D1157 S1158 Y1159 D1163 T1164 Q1165 | D1157-T1161 WeakPolarHBondContact O-CB 3.32Å; D1157-T1161 PolarHBondContact O-N 3.46Å; D1157-T1161 PolarHBondContact O-OG1 2.81Å; S1158-T1161 PolarHBondContact O-N 3.39Å; Y1159-T1161 VanDerWaalsContact C-N 3.3Å; Y1159-T1161 PolarHBondContact O-N 2.81Å; T1161-D1163 VanDerWaalsContact C-N 3.34Å; T1161-D1163 PolarHBondContact O-N 3.37Å; T1161-T1164 PolarHBondContact O-N 3.27Å; T1161-T1164 PolarHBondContact O-OG1 3Å; T1161-Q1165 WeakPolarHBondContact O-CG 3.44Å; T1161-Q1165 PolarHBondContact O-N 3.03Å |
| 1162 | A | 88.2 | Confident | 91.9 | Very high | 52 Ų | 52 | 95.5 Ų | 95.5 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1158 Y1159 Q1165 L1166 | S1158-A1162 WeakPolarHBondContact O-CB 3.25Å; S1158-A1162 PolarHBondContact O-N 3.49Å; Y1159-A1162 PolarHBondContact O-N 3.24Å; A1162-Q1165 PolarHBondContact O-N 3.46Å; A1162-L1166 WeakPolarHBondContact O-CB 3.04Å; A1162-L1166 PolarHBondContact O-N 3.45Å |
| 1163 | D | 91.9 | Very high | 91.8 | Very high | 91 Ų | 91 | 95.2 Ų | 95.2 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.6 | -165.2 | 58.7 | 0 | 0 | 0 | 111.7 | Y1159 A1160 T1161 L1166 Q1167 | Y1159-D1163 WeakPolarHBondContact O-CB 3.28Å; Y1159-D1163 PolarHBondContact O-N 2.81Å; A1160-D1163 PolarHBondContact O-N 3.49Å; T1161-D1163 VanDerWaalsContact C-N 3.34Å; T1161-D1163 PolarHBondContact O-N 3.37Å; D1163-L1166 PolarHBondContact O-N 3.04Å; D1163-Q1167 PolarHBondContact O-N 3.42Å |
| 1164 | T | 92.2 | Very high | 91.8 | Very high | 85 Ų | 85 | 96.2 Ų | 96.2 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 174.2 | 56.8 | 0 | 0 | 0 | 0 | 113 | A1160 T1161 L1166 Q1167 T1168 | A1160-T1164 WeakPolarHBondContact O-CG2 3.46Å; A1160-T1164 PolarHBondContact O-N 2.78Å; A1160-T1164 PolarHBondContact O-OG1 3.01Å; T1161-T1164 PolarHBondContact O-N 3.27Å; T1161-T1164 PolarHBondContact O-OG1 3Å; T1164-L1166 VanDerWaalsContact C-N 3.33Å; T1164-Q1167 PolarHBondContact O-N 2.95Å; T1164-T1168 WeakPolarHBondContact O-CG2 3.33Å; T1164-T1168 PolarHBondContact O-N 2.82Å; T1164-T1168 PolarHBondContact O-OG1 3.22Å |
| 1165 | Q | 92.9 | Very high | 91.9 | Very high | 122 Ų | 122 | 94 Ų | 94 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66 | -37 | 176 | -73.3 | 177.3 | 2.8 | 0 | 0 | 112 | T1161 A1162 Q1167 T1168 A1169 | T1161-Q1165 WeakPolarHBondContact O-CG 3.44Å; T1161-Q1165 PolarHBondContact O-N 3.03Å; A1162-Q1165 PolarHBondContact O-N 3.46Å; Q1165-Q1167 VanDerWaalsContact C-N 3.35Å; Q1165-T1168 WeakPolarHBondContact CA-OG1 3.3Å; Q1165-T1168 PolarHBondContact O-N 3.2Å; Q1165-T1168 PolarHBondContact O-OG1 3.41Å; Q1165-A1169 WeakPolarHBondContact O-CB 3.48Å; Q1165-A1169 PolarHBondContact O-N 2.98Å |
| 1166 | L | 92.1 | Very high | 91.8 | Very high | 88 Ų | 88 | 91.1 Ų | 91.1 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 175.5 | -173.2 | 129.7 | 0 | 0 | 0 | 111 | A1162 D1163 T1164 A1169 Y1170 | A1162-L1166 WeakPolarHBondContact O-CB 3.04Å; A1162-L1166 PolarHBondContact O-N 3.45Å; D1163-L1166 PolarHBondContact O-N 3.04Å; T1164-L1166 VanDerWaalsContact C-N 3.33Å; L1166-A1169 PolarHBondContact O-N 3.43Å; L1166-Y1170 HydrophobicContact CD2-CD2 3.86Å; L1166-Y1170 HydrophobicContact CD2-CE2 3.3Å; L1166-Y1170 HydrophobicContact CG-CD2 4.26Å; L1166-Y1170 HydrophobicContact CG-CE2 3.84Å; L1166-Y1170 WeakPolarHBondContact O-CD2 3.44Å; L1166-Y1170 PolarHBondContact O-N 3.31Å |
| 1167 | Q | 92.7 | Very high | 91.7 | Very high | 118 Ų | 118 | 88.7 Ų | 88.7 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.7 | -37.3 | 174.5 | -169.4 | 63.4 | 22.6 | 0 | 0 | 113.1 | D1163 T1164 Q1165 S1171 | D1163-Q1167 PolarHBondContact O-N 3.42Å; T1164-Q1167 PolarHBondContact O-N 2.95Å; Q1165-Q1167 VanDerWaalsContact C-N 3.35Å; Q1167-S1171 PolarHBondContact O-N 3.22Å; Q1167-S1171 VanDerWaalsContact O-N 3.13Å; Q1167-S1171 PolarHBondContact O-OG 2.98Å |
| 1168 | T | 90 | Very high | 91.8 | Very high | 75 Ų | 75 | 89.5 Ų | 89.5 | 46% | 0.46 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 173.5 | 53.9 | 0 | 0 | 0 | 0 | 111 | T1164 Q1165 Y1170 S1171 E1172 | T1164-T1168 WeakPolarHBondContact O-CG2 3.33Å; T1164-T1168 PolarHBondContact O-N 2.82Å; T1164-T1168 PolarHBondContact O-OG1 3.22Å; Q1165-T1168 WeakPolarHBondContact CA-OG1 3.3Å; Q1165-T1168 PolarHBondContact O-N 3.2Å; Q1165-T1168 PolarHBondContact O-OG1 3.41Å; T1168-Y1170 VanDerWaalsContact C-N 3.33Å; T1168-Y1170 PolarHBondContact O-N 3.41Å; T1168-S1171 WeakPolarHBondContact O-CB 3.34Å; T1168-S1171 PolarHBondContact O-N 2.82Å; T1168-S1171 VanDerWaalsContact O-N 3.08Å; T1168-E1172 WeakPolarHBondContact O-CG 3.43Å; T1168-E1172 PolarHBondContact O-N 3.47Å |
| 1169 | A | 90.1 | Very high | 91.7 | Very high | 51 Ų | 51 | 93.1 Ų | 93.1 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1165 L1166 R1173 | Q1165-A1169 WeakPolarHBondContact O-CB 3.48Å; Q1165-A1169 PolarHBondContact O-N 2.98Å; L1166-A1169 PolarHBondContact O-N 3.43Å; A1169-R1173 WeakPolarHBondContact O-CB 3.43Å; A1169-R1173 PolarHBondContact O-N 3.26Å |
| 1170 | Y | 92 | Very high | 91.7 | Very high | 108 Ų | 108 | 90.6 Ų | 90.6 | 42% | 0.424 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 172.8 | -78.8 | -51.5 | 0 | 0 | 0 | 112.8 | L1166 T1168 R1173 D1174 | L1166-Y1170 HydrophobicContact CD2-CD2 3.86Å; L1166-Y1170 HydrophobicContact CD2-CE2 3.3Å; L1166-Y1170 HydrophobicContact CG-CD2 4.26Å; L1166-Y1170 HydrophobicContact CG-CE2 3.84Å; L1166-Y1170 WeakPolarHBondContact O-CD2 3.44Å; L1166-Y1170 PolarHBondContact O-N 3.31Å; T1168-Y1170 VanDerWaalsContact C-N 3.33Å; T1168-Y1170 PolarHBondContact O-N 3.41Å; Y1170-R1173 PolarHBondContact O-N 2.99Å; Y1170-D1174 WeakPolarHBondContact O-CB 3.26Å; Y1170-D1174 PolarHBondContact O-N 2.78Å |
| 1171 | S | 94.4 | Very high | 91.7 | Very high | 55 Ų | 55 | 93.3 Ų | 93.3 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | Q1167 T1168 D1174 D1175 | Q1167-S1171 PolarHBondContact O-N 3.22Å; Q1167-S1171 VanDerWaalsContact O-N 3.13Å; Q1167-S1171 PolarHBondContact O-OG 2.98Å; T1168-S1171 WeakPolarHBondContact O-CB 3.34Å; T1168-S1171 PolarHBondContact O-N 2.82Å; T1168-S1171 VanDerWaalsContact O-N 3.08Å; S1171-D1174 PolarHBondContact O-N 3.4Å; S1171-D1175 PolarHBondContact O-N 3.45Å |
| 1172 | E | 92.8 | Very high | 91.7 | Very high | 132 Ų | 132 | 91.5 Ų | 91.5 | 62% | 0.617 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 175.7 | -71.8 | 170 | -172.5 | 0 | 0 | 112 | T1168 D1174 D1175 A1176 | T1168-E1172 WeakPolarHBondContact O-CG 3.43Å; T1168-E1172 PolarHBondContact O-N 3.47Å; E1172-D1174 VanDerWaalsContact C-N 3.35Å; E1172-D1174 PolarHBondContact O-N 3.33Å; E1172-D1175 PolarHBondContact O-N 2.92Å; E1172-A1176 WeakPolarHBondContact O-CB 3.43Å; E1172-A1176 PolarHBondContact O-N 3.21Å |
| 1173 | R | 92 | Very high | 91.4 | Very high | 131 Ų | 131 | 92 Ų | 92 | 49% | 0.494 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 173.3 | -175.5 | -157.6 | 68.4 | 177 | -2.4 | 111.2 | A1169 Y1170 D1175 A1176 L1177 | A1169-R1173 WeakPolarHBondContact O-CB 3.43Å; A1169-R1173 PolarHBondContact O-N 3.26Å; Y1170-R1173 PolarHBondContact O-N 2.99Å; R1173-D1175 VanDerWaalsContact C-N 3.33Å; R1173-D1175 PolarHBondContact O-N 3.04Å; R1173-A1176 PolarHBondContact O-N 2.84Å; R1173-L1177 HydrophobicContact CG-CD1 4.45Å; R1173-L1177 WeakPolarHBondContact O-CG 3.45Å; R1173-L1177 PolarHBondContact O-N 3.32Å |
| 1174 | D | 91.8 | Very high | 91.4 | Very high | 68 Ų | 68 | 94.2 Ų | 94.2 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.4 | -34.2 | -178 | -70.3 | -4.6 | 0 | 0 | 0 | 111.9 | Y1170 S1171 E1172 K1178 | Y1170-D1174 WeakPolarHBondContact O-CB 3.26Å; Y1170-D1174 PolarHBondContact O-N 2.78Å; S1171-D1174 PolarHBondContact O-N 3.4Å; E1172-D1174 VanDerWaalsContact C-N 3.35Å; E1172-D1174 PolarHBondContact O-N 3.33Å; D1174-K1178 WeakPolarHBondContact O-CG 3.27Å; D1174-K1178 PolarHBondContact O-N 3.47Å |
| 1175 | D | 92.5 | Very high | 91.4 | Very high | 79 Ų | 79 | 96.2 Ų | 96.2 | 42% | 0.422 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -72.1 | -39 | 173.2 | -72.9 | -22.4 | 0 | 0 | 0 | 112.1 | S1171 E1172 R1173 L1177 K1178 H1179 | S1171-D1175 PolarHBondContact O-N 3.45Å; E1172-D1175 PolarHBondContact O-N 2.92Å; R1173-D1175 VanDerWaalsContact C-N 3.33Å; R1173-D1175 PolarHBondContact O-N 3.04Å; D1175-L1177 VanDerWaalsContact C-N 3.31Å; D1175-L1177 PolarHBondContact O-N 3.49Å; D1175-K1178 PolarHBondContact O-N 3.29Å; D1175-K1178 IonicContact OD1-NZ 3.39Å; D1175-K1178 PolarHBondContact OD1-NZ 2.96Å; D1175-H1179 PolarHBondContact O-CD2 3.1Å; D1175-H1179 PolarHBondContact O-N 3.49Å |
| 1176 | A | 91.4 | Very high | 91.4 | Very high | 59 Ų | 59 | 96.3 Ų | 96.3 | 49% | 0.488 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1172 R1173 H1179 L1180 | E1172-A1176 WeakPolarHBondContact O-CB 3.43Å; E1172-A1176 PolarHBondContact O-N 3.21Å; R1173-A1176 PolarHBondContact O-N 2.84Å; A1176-H1179 PolarHBondContact O-N 2.79Å; A1176-L1180 WeakPolarHBondContact O-CB 3.35Å; A1176-L1180 PolarHBondContact O-N 2.8Å |
| 1177 | L | 92.4 | Very high | 91.3 | Very high | 83 Ų | 83 | 96.3 Ų | 96.3 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 174.6 | -74.5 | 173.2 | 0 | 0 | 0 | 112.3 | R1173 D1175 L1180 E1181 | R1173-L1177 HydrophobicContact CG-CD1 4.45Å; R1173-L1177 WeakPolarHBondContact O-CG 3.45Å; R1173-L1177 PolarHBondContact O-N 3.32Å; D1175-L1177 VanDerWaalsContact C-N 3.31Å; D1175-L1177 PolarHBondContact O-N 3.49Å; L1177-L1180 HydrophobicContact CD2-CD2 4.49Å; L1177-L1180 PolarHBondContact O-N 2.79Å; L1177-E1181 WeakPolarHBondContact O-CG 3.5Å; L1177-E1181 PolarHBondContact O-N 3.28Å |
| 1178 | K | 94.6 | Very high | 91.2 | Very high | 124 Ų | 124 | 94.7 Ų | 94.7 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 174.3 | -68.6 | 170.1 | -159.4 | 152.9 | 0 | 112 | D1174 D1175 E1181 A1182 | D1174-K1178 WeakPolarHBondContact O-CG 3.27Å; D1174-K1178 PolarHBondContact O-N 3.47Å; D1175-K1178 PolarHBondContact O-N 3.29Å; D1175-K1178 IonicContact OD1-NZ 3.39Å; D1175-K1178 PolarHBondContact OD1-NZ 2.96Å; K1178-E1181 PolarHBondContact O-N 3.36Å; K1178-A1182 WeakPolarHBondContact O-CB 3.31Å; K1178-A1182 PolarHBondContact O-N 2.82Å |
| 1179 | H | 89.7 | Confident | 91.3 | Very high | 144 Ų | 144 | 95.5 Ų | 95.5 | 67% | 0.667 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 175.3 | -77.5 | -66 | 0 | 0 | 0 | 111.9 | D1175 A1176 A1182 S1183 | D1175-H1179 PolarHBondContact O-CD2 3.1Å; D1175-H1179 PolarHBondContact O-N 3.49Å; A1176-H1179 PolarHBondContact O-N 2.79Å; H1179-A1182 PolarHBondContact O-N 2.87Å; H1179-S1183 PolarHBondContact O-N 3.21Å |
| 1180 | L | 89.6 | Confident | 91.2 | Very high | 116 Ų | 116 | 98.7 Ų | 98.7 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.5 | -43.4 | 174.1 | -178.8 | 63.9 | 0 | 0 | 0 | 111.5 | A1176 L1177 S1183 R1184 | A1176-L1180 WeakPolarHBondContact O-CB 3.35Å; A1176-L1180 PolarHBondContact O-N 2.8Å; L1177-L1180 HydrophobicContact CD2-CD2 4.49Å; L1177-L1180 PolarHBondContact O-N 2.79Å; L1180-S1183 PolarHBondContact O-N 3.46Å; L1180-R1184 VanDerWaalsContact O-CB 3.31Å; L1180-R1184 WeakPolarHBondContact O-CB 3.5Å; L1180-R1184 PolarHBondContact O-N 3.38Å |
| 1181 | E | 91 | Very high | 91.3 | Very high | 106 Ų | 106 | 100.7 Ų | 100.7 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -35.8 | 175.6 | -76.2 | -177.2 | -175 | 0 | 0 | 113.3 | L1177 K1178 R1185 | L1177-E1181 WeakPolarHBondContact O-CG 3.5Å; L1177-E1181 PolarHBondContact O-N 3.28Å; K1178-E1181 PolarHBondContact O-N 3.36Å; E1181-R1185 PolarHBondContact O-N 3.4Å; E1181-R1185 VanDerWaalsContact O-N 3.17Å |
| 1182 | A | 91.1 | Very high | 91.1 | Very high | 34 Ų | 34 | 104.2 Ų | 104.2 | 28% | 0.281 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -51.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1178 H1179 R1184 R1185 E1186 | K1178-A1182 WeakPolarHBondContact O-CB 3.31Å; K1178-A1182 PolarHBondContact O-N 2.82Å; H1179-A1182 PolarHBondContact O-N 2.87Å; A1182-R1184 VanDerWaalsContact C-N 3.33Å; A1182-R1184 PolarHBondContact O-N 2.98Å; A1182-R1185 WeakPolarHBondContact O-CB 3.34Å; A1182-R1185 PolarHBondContact O-N 2.91Å; A1182-R1185 VanDerWaalsContact O-N 3.07Å; A1182-E1186 PolarHBondContact O-N 2.84Å; A1182-E1186 VanDerWaalsContact O-N 3.13Å |
| 1183 | S | 83.2 | Confident | 90.9 | Very high | 62 Ų | 62 | 101 Ų | 101 | 43% | 0.434 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 177 | -178.5 | 0 | 0 | 0 | 0 | 112 | H1179 L1180 R1185 E1186 V1187 | H1179-S1183 PolarHBondContact O-N 3.21Å; L1180-S1183 PolarHBondContact O-N 3.46Å; S1183-R1185 PolarHBondContact O-N 3.24Å; S1183-E1186 PolarHBondContact O-N 3.37Å; S1183-V1187 WeakPolarHBondContact O-CG2 3.36Å; S1183-V1187 PolarHBondContact O-N 2.75Å |
| 1184 | R | 91.8 | Very high | 90.6 | Very high | 139 Ų | 139 | 100 Ų | 100 | 53% | 0.525 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.5 | -36.5 | 174.6 | -172.1 | -173 | 65.4 | 72.7 | -1.6 | 112.3 | L1180 A1182 L1188 | L1180-R1184 VanDerWaalsContact O-CB 3.31Å; L1180-R1184 WeakPolarHBondContact O-CB 3.5Å; L1180-R1184 PolarHBondContact O-N 3.38Å; A1182-R1184 VanDerWaalsContact C-N 3.33Å; A1182-R1184 PolarHBondContact O-N 2.98Å; R1184-L1188 VanDerWaalsContact NH1-CD1 3.28Å; R1184-L1188 WeakPolarHBondContact O-CG 3.34Å; R1184-L1188 PolarHBondContact O-N 2.8Å |
| 1185 | R | 92.2 | Very high | 90.6 | Very high | 127 Ų | 127 | 103.8 Ų | 103.8 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -45.3 | 177.3 | -169.2 | -179.5 | -60.9 | 94.2 | 3.3 | 111.2 | E1181 A1182 S1183 V1187 L1188 D1189 | E1181-R1185 PolarHBondContact O-N 3.4Å; E1181-R1185 VanDerWaalsContact O-N 3.17Å; A1182-R1185 WeakPolarHBondContact O-CB 3.34Å; A1182-R1185 PolarHBondContact O-N 2.91Å; A1182-R1185 VanDerWaalsContact O-N 3.07Å; S1183-R1185 PolarHBondContact O-N 3.24Å; R1185-V1187 VanDerWaalsContact C-N 3.3Å; R1185-V1187 PolarHBondContact O-N 3.4Å; R1185-L1188 WeakPolarHBondContact O-CB 3.48Å; R1185-L1188 PolarHBondContact O-N 3.5Å; R1185-D1189 PolarHBondContact O-N 3.31Å |
| 1186 | E | 91.6 | Very high | 90.4 | Very high | 124 Ų | 124 | 103.9 Ų | 103.9 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.1 | -40.5 | 175.9 | -67.1 | 171.1 | -171.7 | 0 | 0 | 112.1 | A1182 S1183 L1188 D1189 L1190 | A1182-E1186 PolarHBondContact O-N 2.84Å; A1182-E1186 VanDerWaalsContact O-N 3.13Å; S1183-E1186 PolarHBondContact O-N 3.37Å; E1186-L1188 VanDerWaalsContact C-N 3.33Å; E1186-L1188 PolarHBondContact O-N 2.88Å; E1186-D1189 PolarHBondContact O-N 2.95Å; E1186-L1190 WeakPolarHBondContact O-CB 3.08Å; E1186-L1190 WeakPolarHBondContact O-CG 3.14Å; E1186-L1190 PolarHBondContact O-N 2.99Å |
| 1187 | V | 89.5 | Confident | 90.2 | Very high | 88 Ų | 88 | 105.5 Ų | 105.5 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 175 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | S1183 R1185 K1191 | S1183-V1187 WeakPolarHBondContact O-CG2 3.36Å; S1183-V1187 PolarHBondContact O-N 2.75Å; R1185-V1187 VanDerWaalsContact C-N 3.3Å; R1185-V1187 PolarHBondContact O-N 3.4Å; V1187-K1191 WeakPolarHBondContact O-CB 3.37Å; V1187-K1191 PolarHBondContact O-N 3.23Å |
| 1188 | L | 91.8 | Very high | 90.1 | Very high | 83 Ų | 83 | 107 Ų | 107 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 175.1 | -73.2 | 175 | 0 | 0 | 0 | 111.9 | R1184 R1185 E1186 K1191 E1192 | R1184-L1188 VanDerWaalsContact NH1-CD1 3.28Å; R1184-L1188 WeakPolarHBondContact O-CG 3.34Å; R1184-L1188 PolarHBondContact O-N 2.8Å; R1185-L1188 WeakPolarHBondContact O-CB 3.48Å; R1185-L1188 PolarHBondContact O-N 3.5Å; E1186-L1188 VanDerWaalsContact C-N 3.33Å; E1186-L1188 PolarHBondContact O-N 2.88Å; L1188-K1191 WeakPolarHBondContact O-CB 3.22Å; L1188-K1191 PolarHBondContact O-N 3.1Å; L1188-E1192 PolarHBondContact O-N 2.88Å |
| 1189 | D | 91.6 | Very high | 89.9 | Confident | 92 Ų | 92 | 104.4 Ų | 104.4 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 177 | -62 | -20.2 | 0 | 0 | 0 | 111.1 | R1185 E1186 K1191 E1192 S1193 | R1185-D1189 PolarHBondContact O-N 3.31Å; E1186-D1189 PolarHBondContact O-N 2.95Å; D1189-K1191 VanDerWaalsContact C-N 3.35Å; D1189-K1191 PolarHBondContact O-N 3.4Å; D1189-E1192 PolarHBondContact O-N 2.94Å; D1189-S1193 PolarHBondContact O-N 3.41Å; D1189-S1193 PolarHBondContact O-OG 3.43Å |
| 1190 | L | 89 | Confident | 90 | Very high | 118 Ų | 118 | 101.6 Ų | 101.6 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -38.9 | 172.2 | -74.2 | 173.2 | 0 | 0 | 0 | 112.1 | E1186 S1193 L1194 | E1186-L1190 WeakPolarHBondContact O-CB 3.08Å; E1186-L1190 WeakPolarHBondContact O-CG 3.14Å; E1186-L1190 PolarHBondContact O-N 2.99Å; L1190-S1193 WeakPolarHBondContact CA-OG 3.39Å; L1190-S1193 PolarHBondContact O-N 3.33Å; L1190-S1193 PolarHBondContact O-OG 2.86Å; L1190-L1194 WeakPolarHBondContact O-CB 3.15Å; L1190-L1194 PolarHBondContact O-N 3.42Å |
| 1191 | K | 93 | Very high | 90.1 | Very high | 150 Ų | 150 | 100.8 Ų | 100.8 | 65% | 0.652 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.6 | -39.9 | 175 | -177 | 179.6 | 179.7 | 178.3 | 0 | 111.9 | V1187 L1188 D1189 K1195 | V1187-K1191 WeakPolarHBondContact O-CB 3.37Å; V1187-K1191 PolarHBondContact O-N 3.23Å; L1188-K1191 WeakPolarHBondContact O-CB 3.22Å; L1188-K1191 PolarHBondContact O-N 3.1Å; D1189-K1191 VanDerWaalsContact C-N 3.35Å; D1189-K1191 PolarHBondContact O-N 3.4Å; K1191-K1195 WeakPolarHBondContact O-CB 3.22Å; K1191-K1195 PolarHBondContact O-N 3.22Å |
| 1192 | E | 90.5 | Very high | 90 | Very high | 130 Ų | 130 | 99.3 Ų | 99.3 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.7 | -41.2 | 177.4 | -174 | 166.4 | -163.9 | 0 | 0 | 112.2 | L1188 D1189 K1195 T1196 | L1188-E1192 PolarHBondContact O-N 2.88Å; D1189-E1192 PolarHBondContact O-N 2.94Å; E1192-K1195 PolarHBondContact O-N 2.89Å; E1192-T1196 WeakPolarHBondContact O-CB 3.44Å; E1192-T1196 PolarHBondContact O-N 2.98Å; E1192-T1196 PolarHBondContact O-OG1 2.87Å |
| 1193 | S | 89.3 | Confident | 90 | Very high | 63 Ų | 63 | 101.3 Ų | 101.3 | 44% | 0.441 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 173.6 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | D1189 L1190 T1196 L1197 | D1189-S1193 PolarHBondContact O-N 3.41Å; D1189-S1193 PolarHBondContact O-OG 3.43Å; L1190-S1193 WeakPolarHBondContact CA-OG 3.39Å; L1190-S1193 PolarHBondContact O-N 3.33Å; L1190-S1193 PolarHBondContact O-OG 2.86Å; S1193-T1196 WeakPolarHBondContact O-CB 3.4Å; S1193-T1196 PolarHBondContact O-N 3.34Å; S1193-L1197 PolarHBondContact O-N 3.03Å |
| 1194 | L | 84.1 | Confident | 90.4 | Very high | 111 Ų | 111 | 104.5 Ų | 104.5 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | 172.1 | -178.8 | 66.5 | 0 | 0 | 0 | 111.6 | L1190 T1196 L1197 Q1198 | L1190-L1194 WeakPolarHBondContact O-CB 3.15Å; L1190-L1194 PolarHBondContact O-N 3.42Å; L1194-T1196 VanDerWaalsContact C-N 3.29Å; L1194-T1196 PolarHBondContact O-N 2.95Å; L1194-L1197 PolarHBondContact O-N 3.35Å; L1194-Q1198 WeakPolarHBondContact O-CB 3.32Å; L1194-Q1198 PolarHBondContact O-N 2.79Å |
| 1195 | K | 92 | Very high | 90.3 | Very high | 147 Ų | 147 | 102.9 Ų | 102.9 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -38.4 | 174.6 | -176.7 | -178.3 | 172.9 | -178.4 | 0 | 111.8 | K1191 E1192 Q1198 T1199 | K1191-K1195 WeakPolarHBondContact O-CB 3.22Å; K1191-K1195 PolarHBondContact O-N 3.22Å; E1192-K1195 PolarHBondContact O-N 2.89Å; K1195-Q1198 PolarHBondContact O-N 3.48Å; K1195-T1199 PolarHBondContact O-N 2.97Å; K1195-T1199 PolarHBondContact O-OG1 3.26Å |
| 1196 | T | 88.2 | Confident | 90.2 | Very high | 81 Ų | 81 | 103.4 Ų | 103.4 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 175.2 | -57 | 0 | 0 | 0 | 0 | 110.7 | E1192 S1193 L1194 Q1198 T1199 V1200 | E1192-T1196 WeakPolarHBondContact O-CB 3.44Å; E1192-T1196 PolarHBondContact O-N 2.98Å; E1192-T1196 PolarHBondContact O-OG1 2.87Å; S1193-T1196 WeakPolarHBondContact O-CB 3.4Å; S1193-T1196 PolarHBondContact O-N 3.34Å; L1194-T1196 VanDerWaalsContact C-N 3.29Å; L1194-T1196 PolarHBondContact O-N 2.95Å; T1196-Q1198 PolarHBondContact O-N 3.48Å; T1196-T1199 WeakPolarHBondContact O-CB 3.36Å; T1196-T1199 PolarHBondContact O-N 3.49Å; T1196-V1200 WeakPolarHBondContact O-CG2 3.45Å; T1196-V1200 PolarHBondContact O-N 3.41Å |
| 1197 | L | 89 | Confident | 90.2 | Very high | 94 Ų | 94 | 102.6 Ų | 102.6 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 176 | 179.8 | 62.4 | 0 | 0 | 0 | 112.1 | S1193 L1194 T1199 V1200 L1201 | S1193-L1197 PolarHBondContact O-N 3.03Å; L1194-L1197 PolarHBondContact O-N 3.35Å; L1197-T1199 VanDerWaalsContact C-N 3.28Å; L1197-T1199 PolarHBondContact O-N 3.42Å; L1197-V1200 PolarHBondContact O-N 2.9Å; L1197-V1200 VanDerWaalsContact O-N 3.12Å; L1197-L1201 HydrophobicContact CG-CD1 4.26Å; L1197-L1201 WeakPolarHBondContact O-CG 3.36Å; L1197-L1201 PolarHBondContact O-N 3.34Å |
| 1198 | Q | 89.1 | Confident | 90.3 | Very high | 115 Ų | 115 | 103.8 Ų | 103.8 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.1 | -43 | 174.8 | -175.1 | 174.3 | -6.9 | 0 | 0 | 111.1 | L1194 K1195 T1196 V1200 L1201 D1202 | L1194-Q1198 WeakPolarHBondContact O-CB 3.32Å; L1194-Q1198 PolarHBondContact O-N 2.79Å; K1195-Q1198 PolarHBondContact O-N 3.48Å; T1196-Q1198 PolarHBondContact O-N 3.48Å; Q1198-V1200 VanDerWaalsContact C-N 3.34Å; Q1198-V1200 PolarHBondContact O-N 3.34Å; Q1198-L1201 PolarHBondContact O-N 3.44Å; Q1198-D1202 VanDerWaalsContact O-CG 3.29Å; Q1198-D1202 PolarHBondContact O-N 2.8Å |
| 1199 | T | 91.1 | Very high | 90.2 | Very high | 68 Ų | 68 | 104.8 Ų | 104.8 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -38.2 | 175.9 | -53 | 0 | 0 | 0 | 0 | 112.1 | K1195 T1196 L1197 N1203 | K1195-T1199 PolarHBondContact O-N 2.97Å; K1195-T1199 PolarHBondContact O-OG1 3.26Å; T1196-T1199 WeakPolarHBondContact O-CB 3.36Å; T1196-T1199 PolarHBondContact O-N 3.49Å; L1197-T1199 VanDerWaalsContact C-N 3.28Å; L1197-T1199 PolarHBondContact O-N 3.42Å; T1199-N1203 WeakPolarHBondContact O-CB 3.42Å; T1199-N1203 PolarHBondContact O-N 3.04Å; T1199-N1203 PolarHBondContact O-ND2 2.79Å |
| 1200 | V | 91.7 | Very high | 90.1 | Very high | 86 Ų | 86 | 103 Ų | 103 | 52% | 0.521 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 111 | T1196 L1197 Q1198 N1203 F1204 | T1196-V1200 WeakPolarHBondContact O-CG2 3.45Å; T1196-V1200 PolarHBondContact O-N 3.41Å; L1197-V1200 PolarHBondContact O-N 2.9Å; L1197-V1200 VanDerWaalsContact O-N 3.12Å; Q1198-V1200 VanDerWaalsContact C-N 3.34Å; Q1198-V1200 PolarHBondContact O-N 3.34Å; V1200-N1203 PolarHBondContact O-N 2.76Å; V1200-F1204 WeakPolarHBondContact O-CB 3.4Å; V1200-F1204 PolarHBondContact O-N 3.29Å |
| 1201 | L | 90.6 | Very high | 90.1 | Very high | 99 Ų | 99 | 101.2 Ų | 101.2 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 176 | -71.9 | 169.7 | 0 | 0 | 0 | 111.7 | L1197 Q1198 N1203 F1204 Q1205 | L1197-L1201 HydrophobicContact CG-CD1 4.26Å; L1197-L1201 WeakPolarHBondContact O-CG 3.36Å; L1197-L1201 PolarHBondContact O-N 3.34Å; Q1198-L1201 PolarHBondContact O-N 3.44Å; L1201-N1203 VanDerWaalsContact C-N 3.31Å; L1201-N1203 PolarHBondContact O-N 2.96Å; L1201-F1204 PolarHBondContact O-N 2.98Å; L1201-Q1205 WeakPolarHBondContact O-CB 3.47Å; L1201-Q1205 PolarHBondContact O-N 3.26Å |
| 1202 | D | 89.9 | Confident | 89.6 | Confident | 75 Ų | 75 | 99.3 Ų | 99.3 | 40% | 0.401 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 176.4 | -69.6 | -19.4 | 0 | 0 | 0 | 111.9 | Q1198 R1206 | Q1198-D1202 VanDerWaalsContact O-CG 3.29Å; Q1198-D1202 PolarHBondContact O-N 2.8Å; D1202-R1206 WeakPolarHBondContact O-CB 3.48Å; D1202-R1206 WeakPolarHBondContact O-CG 3.32Å; D1202-R1206 PolarHBondContact O-N 2.91Å; D1202-R1206 PolarHBondContact O-NE 3.06Å |
| 1203 | N | 90.8 | Very high | 89.6 | Confident | 76 Ų | 76 | 98.8 Ų | 98.8 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.6 | -41.4 | 174.7 | -78.1 | -46.5 | 0 | 0 | 0 | 112 | T1199 V1200 L1201 R1206 N1207 | T1199-N1203 WeakPolarHBondContact O-CB 3.42Å; T1199-N1203 PolarHBondContact O-N 3.04Å; T1199-N1203 PolarHBondContact O-ND2 2.79Å; V1200-N1203 PolarHBondContact O-N 2.76Å; L1201-N1203 VanDerWaalsContact C-N 3.31Å; L1201-N1203 PolarHBondContact O-N 2.96Å; N1203-R1206 VanDerWaalsContact OD1-CZ 3.29Å; N1203-R1206 PolarHBondContact OD1-NH1 2.91Å; N1203-R1206 VanDerWaalsContact OD1-NH1 3.11Å; N1203-R1206 PolarHBondContact OD1-NH2 3.44Å; N1203-N1207 VanDerWaalsContact O-CB 3.29Å; N1203-N1207 WeakPolarHBondContact O-CB 3.46Å; N1203-N1207 PolarHBondContact O-N 3.32Å |
| 1204 | F | 91.2 | Very high | 89.6 | Confident | 128 Ų | 128 | 98.7 Ų | 98.7 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 177.2 | 180 | -96.6 | 0 | 0 | 0 | 111 | V1200 L1201 N1207 Q1208 | V1200-F1204 WeakPolarHBondContact O-CB 3.4Å; V1200-F1204 PolarHBondContact O-N 3.29Å; L1201-F1204 PolarHBondContact O-N 2.98Å; F1204-N1207 PolarHBondContact O-N 3.14Å; F1204-Q1208 WeakPolarHBondContact O-CB 3.35Å; F1204-Q1208 PolarHBondContact O-N 3.4Å |
| 1205 | Q | 89.3 | Confident | 89.8 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 178 | -176.4 | 170.8 | -23.9 | 0 | 0 | 111.6 | L1201 N1207 Q1208 E1209 | L1201-Q1205 WeakPolarHBondContact O-CB 3.47Å; L1201-Q1205 PolarHBondContact O-N 3.26Å; Q1205-N1207 VanDerWaalsContact C-N 3.27Å; Q1205-N1207 PolarHBondContact O-N 2.93Å; Q1205-Q1208 WeakPolarHBondContact O-CB 3.47Å; Q1205-Q1208 PolarHBondContact O-N 3.47Å; Q1205-Q1208 VanDerWaalsContact O-N 3.15Å; Q1205-E1209 HydrophobicContact CG-CG 4.45Å; Q1205-E1209 WeakPolarHBondContact CG-OE1 3.33Å; Q1205-E1209 PolarHBondContact NE2-OE1 3.4Å; Q1205-E1209 WeakPolarHBondContact O-CB 3.44Å; Q1205-E1209 WeakPolarHBondContact O-CG 3.34Å; Q1205-E1209 PolarHBondContact O-N 2.81Å |
| 1206 | R | 91.5 | Very high | 89.5 | Confident | 138 Ų | 138 | 95.7 Ų | 95.7 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -38.2 | 174.9 | -82.3 | -174.1 | -80.5 | 113.3 | -0.5 | 112.8 | D1202 N1203 A1210 | D1202-R1206 WeakPolarHBondContact O-CB 3.48Å; D1202-R1206 WeakPolarHBondContact O-CG 3.32Å; D1202-R1206 PolarHBondContact O-N 2.91Å; D1202-R1206 PolarHBondContact O-NE 3.06Å; N1203-R1206 VanDerWaalsContact OD1-CZ 3.29Å; N1203-R1206 PolarHBondContact OD1-NH1 2.91Å; N1203-R1206 VanDerWaalsContact OD1-NH1 3.11Å; N1203-R1206 PolarHBondContact OD1-NH2 3.44Å; R1206-A1210 WeakPolarHBondContact O-CB 3.07Å; R1206-A1210 PolarHBondContact O-N 3.41Å |
| 1207 | N | 90.7 | Very high | 89.5 | Confident | 107 Ų | 107 | 96.2 Ų | 96.2 | 57% | 0.572 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.2 | -38.5 | 177.5 | -167.5 | 28.8 | 0 | 0 | 0 | 111.9 | N1203 F1204 Q1205 A1210 T1211 | N1203-N1207 VanDerWaalsContact O-CB 3.29Å; N1203-N1207 WeakPolarHBondContact O-CB 3.46Å; N1203-N1207 PolarHBondContact O-N 3.32Å; F1204-N1207 PolarHBondContact O-N 3.14Å; Q1205-N1207 VanDerWaalsContact C-N 3.27Å; Q1205-N1207 PolarHBondContact O-N 2.93Å; N1207-A1210 PolarHBondContact O-N 3.18Å; N1207-T1211 WeakPolarHBondContact O-CB 3.49Å; N1207-T1211 PolarHBondContact O-N 3.38Å; N1207-T1211 PolarHBondContact O-OG1 3.5Å |
| 1208 | Q | 91.7 | Very high | 89.6 | Confident | 112 Ų | 112 | 97.3 Ų | 97.3 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 174.1 | -174 | 177.2 | 31.4 | 0 | 0 | 111.3 | F1204 Q1205 A1210 T1211 L1212 | F1204-Q1208 WeakPolarHBondContact O-CB 3.35Å; F1204-Q1208 PolarHBondContact O-N 3.4Å; Q1205-Q1208 WeakPolarHBondContact O-CB 3.47Å; Q1205-Q1208 PolarHBondContact O-N 3.47Å; Q1205-Q1208 VanDerWaalsContact O-N 3.15Å; Q1208-A1210 PolarHBondContact O-N 3.15Å; Q1208-T1211 PolarHBondContact O-N 3.45Å; Q1208-L1212 WeakPolarHBondContact O-CB 3.43Å; Q1208-L1212 PolarHBondContact O-N 3.41Å |
| 1209 | E | 89.4 | Confident | 89.6 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -44 | 175.5 | -73.1 | 171.9 | -170.2 | 0 | 0 | 111.3 | Q1205 T1211 L1212 L1213 | Q1205-E1209 HydrophobicContact CG-CG 4.45Å; Q1205-E1209 WeakPolarHBondContact CG-OE1 3.33Å; Q1205-E1209 PolarHBondContact NE2-OE1 3.4Å; Q1205-E1209 WeakPolarHBondContact O-CB 3.44Å; Q1205-E1209 WeakPolarHBondContact O-CG 3.34Å; Q1205-E1209 PolarHBondContact O-N 2.81Å; E1209-T1211 PolarHBondContact O-N 3.45Å; E1209-L1212 PolarHBondContact O-N 3.03Å; E1209-L1213 VanDerWaalsContact O-CB 3.29Å; E1209-L1213 WeakPolarHBondContact O-CB 3.32Å; E1209-L1213 PolarHBondContact O-N 2.9Å |
| 1210 | A | 89.1 | Confident | 89.5 | Confident | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1206 N1207 Q1208 A1214 | R1206-A1210 WeakPolarHBondContact O-CB 3.07Å; R1206-A1210 PolarHBondContact O-N 3.41Å; N1207-A1210 PolarHBondContact O-N 3.18Å; Q1208-A1210 PolarHBondContact O-N 3.15Å; A1210-A1214 WeakPolarHBondContact O-CB 3.12Å; A1210-A1214 PolarHBondContact O-N 2.94Å |
| 1211 | T | 90.4 | Very high | 89.4 | Confident | 80 Ų | 80 | 100.6 Ų | 100.6 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 177.8 | -55.7 | 0 | 0 | 0 | 0 | 111 | N1207 Q1208 E1209 A1214 E1215 | N1207-T1211 WeakPolarHBondContact O-CB 3.49Å; N1207-T1211 PolarHBondContact O-N 3.38Å; N1207-T1211 PolarHBondContact O-OG1 3.5Å; Q1208-T1211 PolarHBondContact O-N 3.45Å; E1209-T1211 PolarHBondContact O-N 3.45Å; T1211-A1214 PolarHBondContact O-N 3.39Å; T1211-E1215 PolarHBondContact O-N 3.32Å |
| 1212 | L | 81.9 | Confident | 89.3 | Confident | 110 Ų | 110 | 99.4 Ų | 99.4 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | 178.5 | -169.1 | 152.3 | 0 | 0 | 0 | 111.3 | Q1208 E1209 E1215 T1216 | Q1208-L1212 WeakPolarHBondContact O-CB 3.43Å; Q1208-L1212 PolarHBondContact O-N 3.41Å; E1209-L1212 PolarHBondContact O-N 3.03Å; L1212-E1215 PolarHBondContact O-N 3.17Å; L1212-T1216 WeakPolarHBondContact O-CB 3.47Å; L1212-T1216 PolarHBondContact O-N 3.28Å; L1212-T1216 PolarHBondContact O-OG1 3.5Å |
| 1213 | L | 91.3 | Very high | 89.3 | Confident | 120 Ų | 120 | 101 Ų | 101 | 63% | 0.628 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.4 | -46.2 | 174.3 | -170.6 | 98.5 | 0 | 0 | 0 | 111.4 | E1209 T1216 E1217 | E1209-L1213 VanDerWaalsContact O-CB 3.29Å; E1209-L1213 WeakPolarHBondContact O-CB 3.32Å; E1209-L1213 PolarHBondContact O-N 2.9Å; L1213-T1216 PolarHBondContact O-N 3.22Å; L1213-E1217 PolarHBondContact O-N 3.4Å |
| 1214 | A | 88.8 | Confident | 89.3 | Confident | 61 Ų | 61 | 101.6 Ų | 101.6 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1210 T1211 H1218 | A1210-A1214 WeakPolarHBondContact O-CB 3.12Å; A1210-A1214 PolarHBondContact O-N 2.94Å; T1211-A1214 PolarHBondContact O-N 3.39Å; A1214-H1218 WeakPolarHBondContact O-CB 3.17Å; A1214-H1218 PolarHBondContact O-N 3.35Å |
| 1215 | E | 87.9 | Confident | 89.2 | Confident | 120 Ų | 120 | 100.1 Ų | 100.1 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 174.9 | -174.1 | 173.9 | -175.3 | 0 | 0 | 111.8 | T1211 L1212 H1218 L1219 | T1211-E1215 PolarHBondContact O-N 3.32Å; L1212-E1215 PolarHBondContact O-N 3.17Å; E1215-H1218 WeakPolarHBondContact O-CB 3.49Å; E1215-H1218 PolarHBondContact O-N 2.98Å; E1215-L1219 HydrophobicContact CG-CD1 4.36Å; E1215-L1219 WeakPolarHBondContact O-CG 3.4Å; E1215-L1219 PolarHBondContact O-N 2.87Å |
| 1216 | T | 85.1 | Confident | 89.1 | Confident | 74 Ų | 74 | 98.2 Ų | 98.2 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | L1212 L1213 L1219 R1220 | L1212-T1216 WeakPolarHBondContact O-CB 3.47Å; L1212-T1216 PolarHBondContact O-N 3.28Å; L1212-T1216 PolarHBondContact O-OG1 3.5Å; L1213-T1216 PolarHBondContact O-N 3.22Å; T1216-L1219 PolarHBondContact O-N 3.44Å; T1216-R1220 VanDerWaalsContact O-CB 3.31Å; T1216-R1220 WeakPolarHBondContact O-CB 3.47Å; T1216-R1220 PolarHBondContact O-N 2.94Å |
| 1217 | E | 88.6 | Confident | 89.1 | Confident | 92 Ų | 92 | 95.3 Ų | 95.3 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -37.9 | 174.2 | -81.2 | -64.6 | 134 | 0 | 0 | 112.1 | L1213 R1220 T1221 | L1213-E1217 PolarHBondContact O-N 3.4Å; E1217-R1220 PolarHBondContact O-N 3.35Å; E1217-R1220 IonicContact OE1-NH1 3.05Å; E1217-T1221 WeakPolarHBondContact O-CB 3.46Å; E1217-T1221 VanDerWaalsContact O-CG2 3.32Å; E1217-T1221 WeakPolarHBondContact O-CG2 3.31Å; E1217-T1221 PolarHBondContact O-N 3.09Å; E1217-T1221 PolarHBondContact O-OG1 2.93Å |
| 1218 | H | 90.8 | Very high | 89.1 | Confident | 118 Ų | 118 | 96.3 Ų | 96.3 | 55% | 0.546 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 173.2 | 176.2 | -91.7 | 0 | 0 | 0 | 111.9 | A1214 E1215 R1220 T1221 E1222 | A1214-H1218 WeakPolarHBondContact O-CB 3.17Å; A1214-H1218 PolarHBondContact O-N 3.35Å; E1215-H1218 WeakPolarHBondContact O-CB 3.49Å; E1215-H1218 PolarHBondContact O-N 2.98Å; H1218-R1220 VanDerWaalsContact C-N 3.33Å; H1218-R1220 PolarHBondContact O-N 3.48Å; H1218-T1221 WeakPolarHBondContact CA-OG1 3.47Å; H1218-T1221 PolarHBondContact O-N 3.43Å; H1218-T1221 PolarHBondContact O-OG1 3.27Å; H1218-E1222 WeakPolarHBondContact O-CB 3.5Å; H1218-E1222 PolarHBondContact O-N 3.24Å |
| 1219 | L | 89.4 | Confident | 89 | Confident | 104 Ų | 104 | 96.4 Ų | 96.4 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 176.2 | -72.3 | 170.5 | 0 | 0 | 0 | 111.9 | E1215 T1216 E1222 L1223 | E1215-L1219 HydrophobicContact CG-CD1 4.36Å; E1215-L1219 WeakPolarHBondContact O-CG 3.4Å; E1215-L1219 PolarHBondContact O-N 2.87Å; T1216-L1219 PolarHBondContact O-N 3.44Å; L1219-E1222 PolarHBondContact O-N 3.45Å; L1219-L1223 VanDerWaalsContact O-CB 3.28Å; L1219-L1223 WeakPolarHBondContact O-CB 3.46Å; L1219-L1223 PolarHBondContact O-N 2.98Å |
| 1220 | R | 90.2 | Very high | 89 | Confident | 155 Ų | 155 | 95.9 Ų | 95.9 | 59% | 0.585 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | 177.9 | -170.7 | 178.9 | -171.9 | 168.6 | 4.4 | 112.1 | T1216 E1217 H1218 N1224 | T1216-R1220 VanDerWaalsContact O-CB 3.31Å; T1216-R1220 WeakPolarHBondContact O-CB 3.47Å; T1216-R1220 PolarHBondContact O-N 2.94Å; E1217-R1220 PolarHBondContact O-N 3.35Å; E1217-R1220 IonicContact OE1-NH1 3.05Å; H1218-R1220 VanDerWaalsContact C-N 3.33Å; H1218-R1220 PolarHBondContact O-N 3.48Å; R1220-N1224 WeakPolarHBondContact O-CB 3.47Å; R1220-N1224 PolarHBondContact O-N 3.28Å; R1220-N1224 PolarHBondContact O-ND2 3.44Å |
| 1221 | T | 89 | Confident | 89 | Confident | 79 Ų | 79 | 97.2 Ų | 97.2 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 177.3 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | E1217 H1218 N1224 R1225 | E1217-T1221 WeakPolarHBondContact O-CB 3.46Å; E1217-T1221 VanDerWaalsContact O-CG2 3.32Å; E1217-T1221 WeakPolarHBondContact O-CG2 3.31Å; E1217-T1221 PolarHBondContact O-N 3.09Å; E1217-T1221 PolarHBondContact O-OG1 2.93Å; H1218-T1221 WeakPolarHBondContact CA-OG1 3.47Å; H1218-T1221 PolarHBondContact O-N 3.43Å; H1218-T1221 PolarHBondContact O-OG1 3.27Å; T1221-N1224 PolarHBondContact O-N 3.29Å; T1221-R1225 WeakPolarHBondContact O-CB 3.44Å; T1221-R1225 PolarHBondContact O-N 3.49Å |
| 1222 | E | 88.2 | Confident | 89 | Confident | 74 Ų | 74 | 95.4 Ų | 95.4 | 35% | 0.346 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 177.2 | -173.6 | 64 | -176.7 | 0 | 0 | 112.9 | H1218 L1219 R1225 T1226 | H1218-E1222 WeakPolarHBondContact O-CB 3.5Å; H1218-E1222 PolarHBondContact O-N 3.24Å; L1219-E1222 PolarHBondContact O-N 3.45Å; E1222-R1225 WeakPolarHBondContact O-CB 3.36Å; E1222-R1225 PolarHBondContact O-N 2.89Å; E1222-R1225 IonicContact OE1-CZ 2.84Å; E1222-R1225 IonicContact OE1-NE 3.11Å; E1222-R1225 PolarHBondContact OE1-NE 3.18Å; E1222-R1225 IonicContact OE1-NH2 3.66Å; E1222-R1225 PolarHBondContact OE1-NH2 3.48Å; E1222-R1225 IonicContact OE2-CZ 3.71Å; E1222-R1225 IonicContact OE2-NE 2.7Å; E1222-R1225 PolarHBondContact OE2-NE 3.44Å; E1222-R1225 IonicContact OE2-NH2 3.62Å; E1222-T1226 WeakPolarHBondContact O-CB 3.27Å; E1222-T1226 PolarHBondContact O-N 2.84Å; E1222-T1226 PolarHBondContact O-OG1 3.35Å |
| 1223 | L | 89.6 | Confident | 89.1 | Confident | 108 Ų | 108 | 93.9 Ų | 93.9 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.5 | -49.5 | 171.6 | -179.4 | 64.9 | 0 | 0 | 0 | 110.7 | L1219 R1225 T1226 I1227 | L1219-L1223 VanDerWaalsContact O-CB 3.28Å; L1219-L1223 WeakPolarHBondContact O-CB 3.46Å; L1219-L1223 PolarHBondContact O-N 2.98Å; L1223-R1225 VanDerWaalsContact C-N 3.32Å; L1223-R1225 PolarHBondContact O-N 2.94Å; L1223-T1226 PolarHBondContact O-N 3.35Å; L1223-T1226 VanDerWaalsContact O-N 3.07Å; L1223-I1227 HydrophobicContact CD1-CD1 4.35Å; L1223-I1227 HydrophobicContact CG-CD1 4.01Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.4Å; L1223-I1227 PolarHBondContact O-N 2.87Å |
| 1224 | N | 90.7 | Very high | 89.2 | Confident | 88 Ų | 88 | 93.7 Ų | 93.7 | 47% | 0.471 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 175.7 | -81 | -32.5 | 0 | 0 | 0 | 111.9 | R1220 T1221 T1226 I1227 Q1228 | R1220-N1224 WeakPolarHBondContact O-CB 3.47Å; R1220-N1224 PolarHBondContact O-N 3.28Å; R1220-N1224 PolarHBondContact O-ND2 3.44Å; T1221-N1224 PolarHBondContact O-N 3.29Å; N1224-T1226 VanDerWaalsContact C-N 3.25Å; N1224-T1226 PolarHBondContact O-N 3.37Å; N1224-I1227 PolarHBondContact O-N 2.89Å; N1224-Q1228 VanDerWaalsContact O-CG 3.32Å; N1224-Q1228 WeakPolarHBondContact O-CG 3.4Å; N1224-Q1228 PolarHBondContact O-N 2.84Å |
| 1225 | R | 89.9 | Confident | 89.2 | Confident | 97 Ų | 97 | 95.8 Ų | 95.8 | 37% | 0.366 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 175.2 | -164.8 | -167.4 | 62.1 | 48.7 | -19.4 | 111.6 | T1221 E1222 L1223 K1229 | T1221-R1225 WeakPolarHBondContact O-CB 3.44Å; T1221-R1225 PolarHBondContact O-N 3.49Å; E1222-R1225 WeakPolarHBondContact O-CB 3.36Å; E1222-R1225 PolarHBondContact O-N 2.89Å; E1222-R1225 IonicContact OE1-CZ 2.84Å; E1222-R1225 IonicContact OE1-NE 3.11Å; E1222-R1225 PolarHBondContact OE1-NE 3.18Å; E1222-R1225 IonicContact OE1-NH2 3.66Å; E1222-R1225 PolarHBondContact OE1-NH2 3.48Å; E1222-R1225 IonicContact OE2-CZ 3.71Å; E1222-R1225 IonicContact OE2-NE 2.7Å; E1222-R1225 PolarHBondContact OE2-NE 3.44Å; E1222-R1225 IonicContact OE2-NH2 3.62Å; L1223-R1225 VanDerWaalsContact C-N 3.32Å; L1223-R1225 PolarHBondContact O-N 2.94Å; R1225-K1229 VanDerWaalsContact CZ-NZ 3.3Å; R1225-K1229 WeakPolarHBondContact O-CG 3.46Å; R1225-K1229 PolarHBondContact O-N 3.25Å; R1225-K1229 VanDerWaalsContact O-N 3.15Å |
| 1226 | T | 86.5 | Confident | 89.5 | Confident | 67 Ų | 67 | 96.1 Ų | 96.1 | 41% | 0.411 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -74.3 | -42.3 | -179.9 | -59 | 0 | 0 | 0 | 0 | 111.5 | E1222 L1223 N1224 Q1228 K1229 E1230 | E1222-T1226 WeakPolarHBondContact O-CB 3.27Å; E1222-T1226 PolarHBondContact O-N 2.84Å; E1222-T1226 PolarHBondContact O-OG1 3.35Å; L1223-T1226 PolarHBondContact O-N 3.35Å; L1223-T1226 VanDerWaalsContact O-N 3.07Å; N1224-T1226 VanDerWaalsContact C-N 3.25Å; N1224-T1226 PolarHBondContact O-N 3.37Å; T1226-Q1228 VanDerWaalsContact C-N 3.31Å; T1226-Q1228 PolarHBondContact O-N 3.42Å; T1226-K1229 PolarHBondContact O-N 3.04Å; T1226-E1230 PolarHBondContact O-N 2.87Å |
| 1227 | I | 91.4 | Very high | 89.5 | Confident | 77 Ų | 77 | 98.9 Ų | 98.9 | 40% | 0.395 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.9 | -44.1 | 173.2 | -68.4 | 167.2 | 0 | 0 | 0 | 110.9 | L1223 N1224 K1229 E1230 L1231 | L1223-I1227 HydrophobicContact CD1-CD1 4.35Å; L1223-I1227 HydrophobicContact CG-CD1 4.01Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.4Å; L1223-I1227 PolarHBondContact O-N 2.87Å; N1224-I1227 PolarHBondContact O-N 2.89Å; I1227-K1229 PolarHBondContact O-N 2.82Å; I1227-E1230 PolarHBondContact O-N 2.97Å; I1227-L1231 WeakPolarHBondContact O-CB 3.46Å; I1227-L1231 PolarHBondContact O-N 3.26Å |
| 1228 | Q | 90.7 | Very high | 89.5 | Confident | 127 Ų | 127 | 99.3 Ų | 99.3 | 59% | 0.593 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.9 | -39.5 | 177.3 | -69.8 | -63.2 | -26.5 | 0 | 0 | 112.4 | N1224 T1226 L1231 A1232 | N1224-Q1228 VanDerWaalsContact O-CG 3.32Å; N1224-Q1228 WeakPolarHBondContact O-CG 3.4Å; N1224-Q1228 PolarHBondContact O-N 2.84Å; T1226-Q1228 VanDerWaalsContact C-N 3.31Å; T1226-Q1228 PolarHBondContact O-N 3.42Å; Q1228-L1231 PolarHBondContact O-N 2.9Å; Q1228-A1232 WeakPolarHBondContact O-CB 3.45Å; Q1228-A1232 PolarHBondContact O-N 3.29Å |
| 1229 | K | 90.9 | Very high | 89.4 | Confident | 115 Ų | 115 | 99.6 Ų | 99.6 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 173.8 | -74.8 | -175.3 | -174.3 | 174.2 | 0 | 111.9 | R1225 T1226 I1227 A1232 T1233 | R1225-K1229 VanDerWaalsContact CZ-NZ 3.3Å; R1225-K1229 WeakPolarHBondContact O-CG 3.46Å; R1225-K1229 PolarHBondContact O-N 3.25Å; R1225-K1229 VanDerWaalsContact O-N 3.15Å; T1226-K1229 PolarHBondContact O-N 3.04Å; I1227-K1229 PolarHBondContact O-N 2.82Å; K1229-A1232 PolarHBondContact O-N 3.4Å; K1229-T1233 WeakPolarHBondContact O-CG2 3.35Å; K1229-T1233 PolarHBondContact O-N 3.02Å; K1229-T1233 PolarHBondContact O-OG1 3.16Å |
| 1230 | E | 89.8 | Confident | 89.5 | Confident | 94 Ų | 94 | 100.7 Ų | 100.7 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 176 | -169.9 | -168.4 | 163.6 | 0 | 0 | 111.7 | T1226 I1227 T1233 K1234 | T1226-E1230 PolarHBondContact O-N 2.87Å; I1227-E1230 PolarHBondContact O-N 2.97Å; E1230-T1233 PolarHBondContact O-N 3.3Å; E1230-T1233 PolarHBondContact O-OG1 3.38Å; E1230-T1233 VanDerWaalsContact O-OG1 3.05Å; E1230-K1234 HydrophobicContact CG-CD 4.39Å; E1230-K1234 WeakPolarHBondContact O-CB 3.4Å; E1230-K1234 VanDerWaalsContact O-CG 3.28Å; E1230-K1234 WeakPolarHBondContact O-CG 3.26Å; E1230-K1234 PolarHBondContact O-N 3.35Å; E1230-K1234 WeakPolarHBondContact OE1-CE 3.48Å; E1230-K1234 IonicContact OE1-NZ 2.76Å; E1230-K1234 PolarHBondContact OE1-NZ 3.49Å |
| 1231 | L | 88.7 | Confident | 89.5 | Confident | 82 Ų | 82 | 97.3 Ų | 97.3 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 176 | -168.2 | 149.6 | 0 | 0 | 0 | 111.2 | I1227 Q1228 K1234 Q1235 | I1227-L1231 WeakPolarHBondContact O-CB 3.46Å; I1227-L1231 PolarHBondContact O-N 3.26Å; Q1228-L1231 PolarHBondContact O-N 2.9Å; L1231-K1234 PolarHBondContact O-N 3.36Å; L1231-Q1235 HydrophobicContact CD2-CG 4.31Å; L1231-Q1235 WeakPolarHBondContact O-CG 3.39Å; L1231-Q1235 PolarHBondContact O-N 2.89Å |
| 1232 | A | 90.7 | Very high | 89.6 | Confident | 41 Ų | 41 | 99.2 Ų | 99.2 | 34% | 0.339 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1228 K1229 K1234 Q1235 E1236 | Q1228-A1232 WeakPolarHBondContact O-CB 3.45Å; Q1228-A1232 PolarHBondContact O-N 3.29Å; K1229-A1232 PolarHBondContact O-N 3.4Å; A1232-K1234 VanDerWaalsContact C-N 3.33Å; A1232-K1234 PolarHBondContact O-N 2.91Å; A1232-Q1235 WeakPolarHBondContact O-CB 3.32Å; A1232-Q1235 PolarHBondContact O-N 3.38Å; A1232-E1236 WeakPolarHBondContact O-CG 3.33Å; A1232-E1236 PolarHBondContact O-N 3.34Å |
| 1233 | T | 83.8 | Confident | 89.8 | Confident | 79 Ų | 79 | 98.4 Ų | 98.4 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -33.1 | 178.2 | 58 | 0 | 0 | 0 | 0 | 112.3 | K1229 E1230 E1236 M1237 | K1229-T1233 WeakPolarHBondContact O-CG2 3.35Å; K1229-T1233 PolarHBondContact O-N 3.02Å; K1229-T1233 PolarHBondContact O-OG1 3.16Å; E1230-T1233 PolarHBondContact O-N 3.3Å; E1230-T1233 PolarHBondContact O-OG1 3.38Å; E1230-T1233 VanDerWaalsContact O-OG1 3.05Å; T1233-E1236 PolarHBondContact O-N 3.04Å; T1233-M1237 WeakPolarHBondContact O-CB 3.4Å; T1233-M1237 PolarHBondContact O-N 3.16Å |
| 1234 | K | 91.9 | Very high | 89.8 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 171 | -78.9 | 178.7 | -178 | 170.7 | 0 | 112 | E1230 L1231 A1232 M1237 E1238 | E1230-K1234 HydrophobicContact CG-CD 4.39Å; E1230-K1234 WeakPolarHBondContact O-CB 3.4Å; E1230-K1234 VanDerWaalsContact O-CG 3.28Å; E1230-K1234 WeakPolarHBondContact O-CG 3.26Å; E1230-K1234 PolarHBondContact O-N 3.35Å; E1230-K1234 WeakPolarHBondContact OE1-CE 3.48Å; E1230-K1234 IonicContact OE1-NZ 2.76Å; E1230-K1234 PolarHBondContact OE1-NZ 3.49Å; L1231-K1234 PolarHBondContact O-N 3.36Å; A1232-K1234 VanDerWaalsContact C-N 3.33Å; A1232-K1234 PolarHBondContact O-N 2.91Å; K1234-M1237 PolarHBondContact O-N 3.46Å; K1234-E1238 WeakPolarHBondContact O-CB 3.45Å; K1234-E1238 PolarHBondContact O-N 2.97Å |
| 1235 | Q | 90.5 | Very high | 89.8 | Confident | 104 Ų | 104 | 97.6 Ų | 97.6 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 174.9 | -75.1 | 178.8 | -16.3 | 0 | 0 | 112.1 | L1231 A1232 E1238 Q1239 | L1231-Q1235 HydrophobicContact CD2-CG 4.31Å; L1231-Q1235 WeakPolarHBondContact O-CG 3.39Å; L1231-Q1235 PolarHBondContact O-N 2.89Å; A1232-Q1235 WeakPolarHBondContact O-CB 3.32Å; A1232-Q1235 PolarHBondContact O-N 3.38Å; Q1235-E1238 PolarHBondContact O-N 2.88Å; Q1235-Q1239 WeakPolarHBondContact O-CG 3.29Å; Q1235-Q1239 PolarHBondContact O-N 2.94Å |
| 1236 | E | 93.1 | Very high | 89.8 | Confident | 127 Ų | 127 | 96.3 Ų | 96.3 | 59% | 0.593 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 173.4 | -70.9 | 177.9 | 174 | 0 | 0 | 111.9 | A1232 T1233 E1238 Q1239 L1240 | A1232-E1236 WeakPolarHBondContact O-CG 3.33Å; A1232-E1236 PolarHBondContact O-N 3.34Å; T1233-E1236 PolarHBondContact O-N 3.04Å; E1236-E1238 VanDerWaalsContact C-N 3.31Å; E1236-E1238 PolarHBondContact O-N 3.18Å; E1236-Q1239 PolarHBondContact O-N 3.29Å; E1236-L1240 WeakPolarHBondContact O-CB 3.34Å; E1236-L1240 PolarHBondContact O-N 3.5Å |
| 1237 | M | 84.4 | Confident | 90 | Very high | 133 Ų | 133 | 100.6 Ų | 100.6 | 66% | 0.655 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 176.2 | -157.3 | -145.9 | -63.6 | 0 | 0 | 111.3 | T1233 K1234 L1240 N1241 | T1233-M1237 WeakPolarHBondContact O-CB 3.4Å; T1233-M1237 PolarHBondContact O-N 3.16Å; K1234-M1237 PolarHBondContact O-N 3.46Å; M1237-L1240 PolarHBondContact O-N 2.93Å; M1237-N1241 VanDerWaalsContact O-CB 3.26Å; M1237-N1241 WeakPolarHBondContact O-CB 3.43Å; M1237-N1241 PolarHBondContact O-N 3.39Å |
| 1238 | E | 89.3 | Confident | 89.9 | Confident | 100 Ų | 100 | 102.6 Ų | 102.6 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 175.7 | -162.8 | -168 | 152.4 | 0 | 0 | 111.8 | K1234 Q1235 E1236 N1241 K1242 | K1234-E1238 WeakPolarHBondContact O-CB 3.45Å; K1234-E1238 PolarHBondContact O-N 2.97Å; Q1235-E1238 PolarHBondContact O-N 2.88Å; E1236-E1238 VanDerWaalsContact C-N 3.31Å; E1236-E1238 PolarHBondContact O-N 3.18Å; E1238-N1241 PolarHBondContact O-N 3.45Å; E1238-K1242 WeakPolarHBondContact O-CG 3.37Å; E1238-K1242 PolarHBondContact O-N 2.95Å; E1238-K1242 VanDerWaalsContact OE1-CE 3.23Å; E1238-K1242 WeakPolarHBondContact OE1-CE 3.37Å; E1238-K1242 IonicContact OE1-NZ 2.88Å; E1238-K1242 PolarHBondContact OE1-NZ 3.27Å |
| 1239 | Q | 88.9 | Confident | 89.9 | Confident | 125 Ų | 125 | 101.8 Ų | 101.8 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 174 | -71.7 | 175.7 | 32.6 | 0 | 0 | 112.2 | Q1235 E1236 N1241 K1242 S1243 | Q1235-Q1239 WeakPolarHBondContact O-CG 3.29Å; Q1235-Q1239 PolarHBondContact O-N 2.94Å; E1236-Q1239 PolarHBondContact O-N 3.29Å; Q1239-N1241 VanDerWaalsContact C-N 3.35Å; Q1239-K1242 PolarHBondContact O-N 2.88Å; Q1239-S1243 PolarHBondContact O-N 2.91Å; Q1239-S1243 PolarHBondContact O-OG 2.92Å |
| 1240 | L | 91.2 | Very high | 89.9 | Confident | 127 Ų | 127 | 101.2 Ų | 101.2 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.6 | -38.8 | 175.9 | -167.7 | 70.1 | 0 | 0 | 0 | 111.2 | E1236 M1237 S1243 L1244 | E1236-L1240 WeakPolarHBondContact O-CB 3.34Å; E1236-L1240 PolarHBondContact O-N 3.5Å; M1237-L1240 PolarHBondContact O-N 2.93Å; L1240-S1243 WeakPolarHBondContact O-CB 3.43Å; L1240-S1243 PolarHBondContact O-N 3.46Å; L1240-L1244 WeakPolarHBondContact O-CB 3.48Å; L1240-L1244 PolarHBondContact O-N 3.44Å |
| 1241 | N | 90.9 | Very high | 89.9 | Confident | 84 Ų | 84 | 100.1 Ų | 100.1 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.6 | -171.8 | 40 | 0 | 0 | 0 | 111.6 | M1237 E1238 Q1239 S1243 L1244 I1245 | M1237-N1241 VanDerWaalsContact O-CB 3.26Å; M1237-N1241 WeakPolarHBondContact O-CB 3.43Å; M1237-N1241 PolarHBondContact O-N 3.39Å; E1238-N1241 PolarHBondContact O-N 3.45Å; Q1239-N1241 VanDerWaalsContact C-N 3.35Å; N1241-S1243 VanDerWaalsContact C-N 3.3Å; N1241-S1243 PolarHBondContact O-N 2.98Å; N1241-L1244 WeakPolarHBondContact O-CB 3.28Å; N1241-L1244 PolarHBondContact O-N 2.92Å; N1241-I1245 WeakPolarHBondContact O-CG1 3.47Å; N1241-I1245 PolarHBondContact O-N 3.34Å |
| 1242 | K | 90.5 | Very high | 90 | Very high | 119 Ų | 119 | 100.6 Ų | 100.6 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 172 | -73.2 | 169 | -175.3 | 164.9 | 0 | 111.8 | E1238 Q1239 I1245 S1246 | E1238-K1242 WeakPolarHBondContact O-CG 3.37Å; E1238-K1242 PolarHBondContact O-N 2.95Å; E1238-K1242 VanDerWaalsContact OE1-CE 3.23Å; E1238-K1242 WeakPolarHBondContact OE1-CE 3.37Å; E1238-K1242 IonicContact OE1-NZ 2.88Å; E1238-K1242 PolarHBondContact OE1-NZ 3.27Å; Q1239-K1242 PolarHBondContact O-N 2.88Å; K1242-I1245 PolarHBondContact O-N 3.33Å; K1242-S1246 PolarHBondContact O-N 3.3Å |
| 1243 | S | 91.9 | Very high | 90.1 | Very high | 56 Ų | 56 | 103.9 Ų | 103.9 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 176.4 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | Q1239 L1240 N1241 S1246 Y1247 | Q1239-S1243 PolarHBondContact O-N 2.91Å; Q1239-S1243 PolarHBondContact O-OG 2.92Å; L1240-S1243 WeakPolarHBondContact O-CB 3.43Å; L1240-S1243 PolarHBondContact O-N 3.46Å; N1241-S1243 VanDerWaalsContact C-N 3.3Å; N1241-S1243 PolarHBondContact O-N 2.98Å; S1243-S1246 WeakPolarHBondContact O-CB 3.47Å; S1243-S1246 PolarHBondContact O-N 3.4Å; S1243-Y1247 WeakPolarHBondContact O-CD2 3.41Å; S1243-Y1247 PolarHBondContact O-N 2.93Å |
| 1244 | L | 90 | Very high | 90.4 | Very high | 107 Ų | 107 | 105.5 Ų | 105.5 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -43.6 | 176.2 | -177.7 | 66.4 | 0 | 0 | 0 | 111.8 | L1240 N1241 S1246 Y1247 Q1248 | L1240-L1244 WeakPolarHBondContact O-CB 3.48Å; L1240-L1244 PolarHBondContact O-N 3.44Å; N1241-L1244 WeakPolarHBondContact O-CB 3.28Å; N1241-L1244 PolarHBondContact O-N 2.92Å; L1244-S1246 VanDerWaalsContact C-N 3.34Å; L1244-S1246 PolarHBondContact O-N 2.93Å; L1244-Y1247 PolarHBondContact O-N 3.01Å; L1244-Q1248 WeakPolarHBondContact O-CB 3.46Å; L1244-Q1248 PolarHBondContact O-N 3.18Å |
| 1245 | I | 91.1 | Very high | 90.3 | Very high | 73 Ų | 73 | 104 Ų | 104 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 174.6 | -67.2 | 164.3 | 0 | 0 | 0 | 110.1 | N1241 K1242 Y1247 Q1248 E1249 | N1241-I1245 WeakPolarHBondContact O-CG1 3.47Å; N1241-I1245 PolarHBondContact O-N 3.34Å; K1242-I1245 PolarHBondContact O-N 3.33Å; I1245-Y1247 VanDerWaalsContact C-N 3.34Å; I1245-Y1247 PolarHBondContact O-N 3.38Å; I1245-Q1248 WeakPolarHBondContact O-CB 3.38Å; I1245-Q1248 PolarHBondContact O-N 2.88Å; I1245-Q1248 VanDerWaalsContact O-N 3.1Å; I1245-E1249 WeakPolarHBondContact O-CG 3.34Å; I1245-E1249 PolarHBondContact O-N 3.5Å |
| 1246 | S | 90.5 | Very high | 90.4 | Very high | 69 Ų | 69 | 105.5 Ų | 105.5 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 176.1 | -176 | 0 | 0 | 0 | 0 | 112.8 | K1242 S1243 L1244 Q1248 E1249 L1250 | K1242-S1246 PolarHBondContact O-N 3.3Å; S1243-S1246 WeakPolarHBondContact O-CB 3.47Å; S1243-S1246 PolarHBondContact O-N 3.4Å; L1244-S1246 VanDerWaalsContact C-N 3.34Å; L1244-S1246 PolarHBondContact O-N 2.93Å; S1246-Q1248 VanDerWaalsContact C-N 3.35Å; S1246-E1249 PolarHBondContact O-N 3.46Å; S1246-L1250 PolarHBondContact O-N 3.3Å |
| 1247 | Y | 89.9 | Confident | 90.4 | Very high | 158 Ų | 158 | 104 Ų | 104 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.9 | -35.1 | 173.4 | -77.8 | -63.9 | 0 | 0 | 0 | 112.9 | S1243 L1244 I1245 L1250 T1251 | S1243-Y1247 WeakPolarHBondContact O-CD2 3.41Å; S1243-Y1247 PolarHBondContact O-N 2.93Å; L1244-Y1247 PolarHBondContact O-N 3.01Å; I1245-Y1247 VanDerWaalsContact C-N 3.34Å; I1245-Y1247 PolarHBondContact O-N 3.38Å; Y1247-L1250 PolarHBondContact O-N 2.92Å; Y1247-T1251 WeakPolarHBondContact O-CB 3.47Å; Y1247-T1251 PolarHBondContact O-N 3.37Å; Y1247-T1251 PolarHBondContact O-OG1 2.84Å |
| 1248 | Q | 89.9 | Confident | 90.7 | Very high | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.7 | -41.6 | 175 | -176 | 176.8 | -17.2 | 0 | 0 | 111 | L1244 I1245 S1246 T1251 N1252 | L1244-Q1248 WeakPolarHBondContact O-CB 3.46Å; L1244-Q1248 PolarHBondContact O-N 3.18Å; I1245-Q1248 WeakPolarHBondContact O-CB 3.38Å; I1245-Q1248 PolarHBondContact O-N 2.88Å; I1245-Q1248 VanDerWaalsContact O-N 3.1Å; S1246-Q1248 VanDerWaalsContact C-N 3.35Å; Q1248-T1251 WeakPolarHBondContact O-CB 3.38Å; Q1248-T1251 PolarHBondContact O-N 3.14Å; Q1248-N1252 PolarHBondContact O-N 2.94Å; Q1248-N1252 PolarHBondContact O-ND2 3.29Å |
| 1249 | E | 91 | Very high | 90.8 | Very high | 111 Ų | 111 | 102.5 Ų | 102.5 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 172.3 | -71.8 | 171.4 | 177.9 | 0 | 0 | 111.3 | I1245 S1246 T1251 N1252 E1253 | I1245-E1249 WeakPolarHBondContact O-CG 3.34Å; I1245-E1249 PolarHBondContact O-N 3.5Å; S1246-E1249 PolarHBondContact O-N 3.46Å; E1249-T1251 VanDerWaalsContact C-N 3.25Å; E1249-T1251 PolarHBondContact O-N 3.22Å; E1249-N1252 WeakPolarHBondContact O-CB 3.44Å; E1249-N1252 PolarHBondContact O-N 3.2Å; E1249-E1253 PolarHBondContact O-N 3.28Å |
| 1250 | L | 90 | Very high | 91 | Very high | 103 Ų | 103 | 100.5 Ų | 100.5 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -35.5 | 176.7 | -173.6 | 64 | 0 | 0 | 0 | 112.3 | S1246 Y1247 E1253 L1254 | S1246-L1250 PolarHBondContact O-N 3.3Å; Y1247-L1250 PolarHBondContact O-N 2.92Å; L1250-E1253 PolarHBondContact O-N 3.25Å; L1250-L1254 WeakPolarHBondContact O-CB 3.41Å; L1250-L1254 PolarHBondContact O-N 3.2Å |
| 1251 | T | 90.3 | Very high | 91 | Very high | 71 Ų | 71 | 98 Ų | 98 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 175.4 | -60 | 0 | 0 | 0 | 0 | 111.5 | Y1247 Q1248 E1249 L1254 N1255 | Y1247-T1251 WeakPolarHBondContact O-CB 3.47Å; Y1247-T1251 PolarHBondContact O-N 3.37Å; Y1247-T1251 PolarHBondContact O-OG1 2.84Å; Q1248-T1251 WeakPolarHBondContact O-CB 3.38Å; Q1248-T1251 PolarHBondContact O-N 3.14Å; E1249-T1251 VanDerWaalsContact C-N 3.25Å; E1249-T1251 PolarHBondContact O-N 3.22Å; T1251-L1254 PolarHBondContact O-N 3.31Å; T1251-N1255 WeakPolarHBondContact O-CB 3.18Å; T1251-N1255 VanDerWaalsContact O-CG 3.28Å; T1251-N1255 PolarHBondContact O-N 2.92Å; T1251-N1255 PolarHBondContact O-ND2 3.36Å |
| 1252 | N | 91 | Very high | 91 | Very high | 92 Ų | 92 | 99.3 Ų | 99.3 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 174.6 | -68.9 | -25 | 0 | 0 | 0 | 111.3 | Q1248 E1249 N1255 Q1256 | Q1248-N1252 PolarHBondContact O-N 2.94Å; Q1248-N1252 PolarHBondContact O-ND2 3.29Å; E1249-N1252 WeakPolarHBondContact O-CB 3.44Å; E1249-N1252 PolarHBondContact O-N 3.2Å; N1252-N1255 PolarHBondContact O-N 3.44Å; N1252-Q1256 WeakPolarHBondContact O-CB 3.31Å; N1252-Q1256 PolarHBondContact O-N 3.02Å |
| 1253 | E | 92.7 | Very high | 91.1 | Very high | 109 Ų | 109 | 98.8 Ų | 98.8 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 173.2 | -70.2 | -175 | 172 | 0 | 0 | 111.7 | E1249 L1250 N1255 Q1256 I1257 | E1249-E1253 PolarHBondContact O-N 3.28Å; L1250-E1253 PolarHBondContact O-N 3.25Å; E1253-N1255 VanDerWaalsContact C-N 3.34Å; E1253-N1255 PolarHBondContact O-N 2.93Å; E1253-Q1256 WeakPolarHBondContact O-CB 3.48Å; E1253-Q1256 PolarHBondContact O-N 2.88Å; E1253-I1257 WeakPolarHBondContact O-CB 3.36Å; E1253-I1257 WeakPolarHBondContact O-CG1 3.41Å; E1253-I1257 PolarHBondContact O-N 3.28Å |
| 1254 | L | 89.9 | Confident | 91.2 | Very high | 113 Ų | 113 | 100.4 Ų | 100.4 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 176.3 | -177 | 64.7 | 0 | 0 | 0 | 111.6 | L1250 T1251 I1257 K1258 | L1250-L1254 WeakPolarHBondContact O-CB 3.41Å; L1250-L1254 PolarHBondContact O-N 3.2Å; T1251-L1254 PolarHBondContact O-N 3.31Å; L1254-I1257 PolarHBondContact O-N 2.8Å; L1254-K1258 VanDerWaalsContact O-CB 3.26Å; L1254-K1258 WeakPolarHBondContact O-CB 3.47Å; L1254-K1258 PolarHBondContact O-N 3.34Å |
| 1255 | N | 89.2 | Confident | 91.3 | Very high | 86 Ų | 86 | 104 Ų | 104 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 175.8 | -75.8 | -33.5 | 0 | 0 | 0 | 111.9 | T1251 N1252 E1253 K1258 S1259 | T1251-N1255 WeakPolarHBondContact O-CB 3.18Å; T1251-N1255 VanDerWaalsContact O-CG 3.28Å; T1251-N1255 PolarHBondContact O-N 2.92Å; T1251-N1255 PolarHBondContact O-ND2 3.36Å; N1252-N1255 PolarHBondContact O-N 3.44Å; E1253-N1255 VanDerWaalsContact C-N 3.34Å; E1253-N1255 PolarHBondContact O-N 2.93Å; N1255-K1258 PolarHBondContact O-N 2.79Å; N1255-S1259 PolarHBondContact O-N 2.76Å |
| 1256 | Q | 92 | Very high | 91.2 | Very high | 134 Ų | 134 | 104.7 Ų | 104.7 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -48.3 | 174.2 | -171.9 | -179.6 | 27.9 | 0 | 0 | 111.2 | N1252 E1253 K1258 S1259 V1260 | N1252-Q1256 WeakPolarHBondContact O-CB 3.31Å; N1252-Q1256 PolarHBondContact O-N 3.02Å; E1253-Q1256 WeakPolarHBondContact O-CB 3.48Å; E1253-Q1256 PolarHBondContact O-N 2.88Å; Q1256-K1258 VanDerWaalsContact C-N 3.27Å; Q1256-K1258 PolarHBondContact O-N 2.87Å; Q1256-S1259 WeakPolarHBondContact O-CB 3.3Å; Q1256-S1259 PolarHBondContact O-N 3.45Å; Q1256-S1259 VanDerWaalsContact O-N 3.14Å; Q1256-V1260 WeakPolarHBondContact O-CG2 3.26Å; Q1256-V1260 PolarHBondContact O-N 3.27Å |
| 1257 | I | 93.4 | Very high | 91.3 | Very high | 95 Ų | 95 | 106.6 Ų | 106.6 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 175.4 | -72.3 | 168.6 | 0 | 0 | 0 | 110.8 | E1253 L1254 V1260 N1261 | E1253-I1257 WeakPolarHBondContact O-CB 3.36Å; E1253-I1257 WeakPolarHBondContact O-CG1 3.41Å; E1253-I1257 PolarHBondContact O-N 3.28Å; L1254-I1257 PolarHBondContact O-N 2.8Å; I1257-V1260 PolarHBondContact O-N 3.1Å; I1257-N1261 VanDerWaalsContact CG2-ND2 3.3Å; I1257-N1261 WeakPolarHBondContact CG2-ND2 3.35Å; I1257-N1261 VanDerWaalsContact O-CB 3.28Å; I1257-N1261 WeakPolarHBondContact O-CB 3.48Å; I1257-N1261 PolarHBondContact O-N 3.43Å; I1257-N1261 PolarHBondContact O-ND2 3.2Å |
| 1258 | K | 91.8 | Very high | 91.5 | Very high | 143 Ų | 143 | 102.9 Ų | 102.9 | 62% | 0.622 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.4 | -42.8 | 175.6 | -172.9 | 178.5 | 177.6 | -176.7 | 0 | 111.5 | L1254 N1255 Q1256 N1261 Q1262 | L1254-K1258 VanDerWaalsContact O-CB 3.26Å; L1254-K1258 WeakPolarHBondContact O-CB 3.47Å; L1254-K1258 PolarHBondContact O-N 3.34Å; N1255-K1258 PolarHBondContact O-N 2.79Å; Q1256-K1258 VanDerWaalsContact C-N 3.27Å; Q1256-K1258 PolarHBondContact O-N 2.87Å; K1258-N1261 PolarHBondContact O-N 2.94Å; K1258-Q1262 WeakPolarHBondContact O-CB 3.36Å; K1258-Q1262 PolarHBondContact O-N 3.46Å |
| 1259 | S | 90.1 | Very high | 91.6 | Very high | 59 Ų | 59 | 102.5 Ų | 102.5 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 174.9 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | N1255 Q1256 N1261 Q1262 Q1263 | N1255-S1259 PolarHBondContact O-N 2.76Å; Q1256-S1259 WeakPolarHBondContact O-CB 3.3Å; Q1256-S1259 PolarHBondContact O-N 3.45Å; Q1256-S1259 VanDerWaalsContact O-N 3.14Å; S1259-N1261 PolarHBondContact O-N 2.96Å; S1259-Q1262 WeakPolarHBondContact O-CB 3.42Å; S1259-Q1262 PolarHBondContact O-N 3.09Å; S1259-Q1263 WeakPolarHBondContact O-CG 3.47Å; S1259-Q1263 PolarHBondContact O-N 2.84Å |
| 1260 | V | 93.7 | Very high | 91.6 | Very high | 84 Ų | 84 | 104.9 Ų | 104.9 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.1 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | Q1256 I1257 Q1262 Q1263 L1264 | Q1256-V1260 WeakPolarHBondContact O-CG2 3.26Å; Q1256-V1260 PolarHBondContact O-N 3.27Å; I1257-V1260 PolarHBondContact O-N 3.1Å; V1260-Q1262 VanDerWaalsContact C-N 3.32Å; V1260-Q1262 PolarHBondContact O-N 2.9Å; V1260-Q1263 PolarHBondContact O-N 3.29Å; V1260-L1264 WeakPolarHBondContact O-CB 3.45Å; V1260-L1264 PolarHBondContact O-N 3.44Å |
| 1261 | N | 91.8 | Very high | 91.7 | Very high | 75 Ų | 75 | 104.9 Ų | 104.9 | 40% | 0.401 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 175.8 | -85.1 | -51.7 | 0 | 0 | 0 | 112.5 | I1257 K1258 S1259 L1264 R1265 | I1257-N1261 VanDerWaalsContact CG2-ND2 3.3Å; I1257-N1261 WeakPolarHBondContact CG2-ND2 3.35Å; I1257-N1261 VanDerWaalsContact O-CB 3.28Å; I1257-N1261 WeakPolarHBondContact O-CB 3.48Å; I1257-N1261 PolarHBondContact O-N 3.43Å; I1257-N1261 PolarHBondContact O-ND2 3.2Å; K1258-N1261 PolarHBondContact O-N 2.94Å; S1259-N1261 PolarHBondContact O-N 2.96Å; N1261-L1264 PolarHBondContact O-N 2.99Å; N1261-R1265 VanDerWaalsContact O-CG 3.28Å; N1261-R1265 WeakPolarHBondContact O-CG 3.28Å; N1261-R1265 PolarHBondContact O-N 3.1Å |
| 1262 | Q | 91 | Very high | 91.9 | Very high | 111 Ų | 111 | 107 Ų | 107 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 174.3 | -179 | 176.6 | -13.8 | 0 | 0 | 111 | K1258 S1259 V1260 L1264 R1265 E1266 | K1258-Q1262 WeakPolarHBondContact O-CB 3.36Å; K1258-Q1262 PolarHBondContact O-N 3.46Å; S1259-Q1262 WeakPolarHBondContact O-CB 3.42Å; S1259-Q1262 PolarHBondContact O-N 3.09Å; V1260-Q1262 VanDerWaalsContact C-N 3.32Å; V1260-Q1262 PolarHBondContact O-N 2.9Å; Q1262-L1264 VanDerWaalsContact C-N 3.3Å; Q1262-L1264 PolarHBondContact O-N 2.92Å; Q1262-R1265 PolarHBondContact O-N 2.9Å; Q1262-E1266 PolarHBondContact NE2-OE1 3.37Å; Q1262-E1266 WeakPolarHBondContact O-CG 3.28Å; Q1262-E1266 PolarHBondContact O-N 3Å |
| 1263 | Q | 92.8 | Very high | 91.9 | Very high | 108 Ų | 108 | 106 Ų | 106 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -41.7 | 176 | -72.1 | -178.7 | -8.2 | 0 | 0 | 112.1 | S1259 V1260 E1266 Q1267 | S1259-Q1263 WeakPolarHBondContact O-CG 3.47Å; S1259-Q1263 PolarHBondContact O-N 2.84Å; V1260-Q1263 PolarHBondContact O-N 3.29Å; Q1263-E1266 PolarHBondContact O-N 2.84Å; Q1263-Q1267 WeakPolarHBondContact O-CG 3.46Å; Q1263-Q1267 PolarHBondContact O-N 3.4Å |
| 1264 | L | 92.3 | Very high | 92 | Very high | 89 Ų | 89 | 107.4 Ų | 107.4 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.3 | -177.5 | 61.5 | 0 | 0 | 0 | 111.8 | V1260 N1261 Q1262 E1266 Q1267 I1268 | V1260-L1264 WeakPolarHBondContact O-CB 3.45Å; V1260-L1264 PolarHBondContact O-N 3.44Å; N1261-L1264 PolarHBondContact O-N 2.99Å; Q1262-L1264 VanDerWaalsContact C-N 3.3Å; Q1262-L1264 PolarHBondContact O-N 2.92Å; L1264-E1266 VanDerWaalsContact C-N 3.34Å; L1264-E1266 PolarHBondContact O-N 3.37Å; L1264-Q1267 PolarHBondContact O-N 3.14Å; L1264-I1268 HydrophobicContact CD1-CD1 4.45Å; L1264-I1268 HydrophobicContact CG-CD1 4.13Å; L1264-I1268 WeakPolarHBondContact O-CG1 3.42Å; L1264-I1268 PolarHBondContact O-N 3.19Å |
| 1265 | R | 93.1 | Very high | 92.1 | Very high | 184 Ų | 184 | 105.9 Ų | 105.9 | 69% | 0.694 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 175 | -72.4 | 170.7 | -174.1 | -87.3 | 0.5 | 111.8 | N1261 Q1262 Q1267 I1268 L1269 | N1261-R1265 VanDerWaalsContact O-CG 3.28Å; N1261-R1265 WeakPolarHBondContact O-CG 3.28Å; N1261-R1265 PolarHBondContact O-N 3.1Å; Q1262-R1265 PolarHBondContact O-N 2.9Å; R1265-Q1267 VanDerWaalsContact C-N 3.34Å; R1265-Q1267 PolarHBondContact O-N 3.48Å; R1265-I1268 PolarHBondContact O-N 3.26Å; R1265-L1269 WeakPolarHBondContact O-CB 3.45Å; R1265-L1269 PolarHBondContact O-N 3.03Å |
| 1266 | E | 89.8 | Confident | 92.3 | Very high | 87 Ų | 87 | 108.9 Ų | 108.9 | 41% | 0.407 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 176.3 | -71.2 | 174.9 | -163.1 | 0 | 0 | 112.3 | Q1262 Q1263 L1264 R1270 | Q1262-E1266 PolarHBondContact NE2-OE1 3.37Å; Q1262-E1266 WeakPolarHBondContact O-CG 3.28Å; Q1262-E1266 PolarHBondContact O-N 3Å; Q1263-E1266 PolarHBondContact O-N 2.84Å; L1264-E1266 VanDerWaalsContact C-N 3.34Å; L1264-E1266 PolarHBondContact O-N 3.37Å; E1266-R1270 WeakPolarHBondContact O-CG 3.44Å; E1266-R1270 PolarHBondContact O-N 3.13Å |
| 1267 | Q | 92.8 | Very high | 92.5 | Very high | 109 Ų | 109 | 107.2 Ų | 107.2 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 174.1 | -72.7 | -174.1 | 33 | 0 | 0 | 112.4 | Q1263 L1264 R1265 L1269 R1270 L1271 | Q1263-Q1267 WeakPolarHBondContact O-CG 3.46Å; Q1263-Q1267 PolarHBondContact O-N 3.4Å; L1264-Q1267 PolarHBondContact O-N 3.14Å; R1265-Q1267 VanDerWaalsContact C-N 3.34Å; R1265-Q1267 PolarHBondContact O-N 3.48Å; Q1267-L1269 VanDerWaalsContact C-N 3.32Å; Q1267-L1269 PolarHBondContact O-N 2.98Å; Q1267-R1270 PolarHBondContact O-N 3.32Å; Q1267-L1271 WeakPolarHBondContact O-CG 3.48Å; Q1267-L1271 PolarHBondContact O-N 2.99Å |
| 1268 | I | 92.3 | Very high | 92.3 | Very high | 79 Ų | 79 | 110 Ų | 110 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 175.8 | -70 | 167.4 | 0 | 0 | 0 | 109.5 | L1264 R1265 R1270 L1271 E1272 | L1264-I1268 HydrophobicContact CD1-CD1 4.45Å; L1264-I1268 HydrophobicContact CG-CD1 4.13Å; L1264-I1268 WeakPolarHBondContact O-CG1 3.42Å; L1264-I1268 PolarHBondContact O-N 3.19Å; R1265-I1268 PolarHBondContact O-N 3.26Å; I1268-R1270 VanDerWaalsContact C-N 3.34Å; I1268-R1270 PolarHBondContact O-N 3.37Å; I1268-L1271 CarbonylContact O-C 3.58Å; I1268-L1271 PolarHBondContact O-N 3.46Å; I1268-L1271 VanDerWaalsContact O-N 3.09Å; I1268-E1272 HydrophobicContact CG2-CG 4.17Å; I1268-E1272 WeakPolarHBondContact O-CB 3.39Å; I1268-E1272 WeakPolarHBondContact O-CG 3.4Å; I1268-E1272 PolarHBondContact O-N 3.48Å |
| 1269 | L | 91.8 | Very high | 92.4 | Very high | 110 Ų | 110 | 106.9 Ų | 106.9 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -37.5 | 179.7 | -162.2 | 120.8 | 0 | 0 | 0 | 112.8 | R1265 Q1267 T1273 | R1265-L1269 WeakPolarHBondContact O-CB 3.45Å; R1265-L1269 PolarHBondContact O-N 3.03Å; Q1267-L1269 VanDerWaalsContact C-N 3.32Å; Q1267-L1269 PolarHBondContact O-N 2.98Å; L1269-T1273 WeakPolarHBondContact O-CB 3.35Å; L1269-T1273 PolarHBondContact O-N 3.06Å; L1269-T1273 PolarHBondContact O-OG1 2.94Å |
| 1270 | R | 92.4 | Very high | 92.5 | Very high | 161 Ų | 161 | 108 Ų | 108 | 61% | 0.608 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -41.3 | 172.6 | -77.1 | 179.1 | -173.2 | 152.5 | 6.6 | 112.1 | E1266 Q1267 I1268 T1273 K1274 | E1266-R1270 WeakPolarHBondContact O-CG 3.44Å; E1266-R1270 PolarHBondContact O-N 3.13Å; Q1267-R1270 PolarHBondContact O-N 3.32Å; I1268-R1270 VanDerWaalsContact C-N 3.34Å; I1268-R1270 PolarHBondContact O-N 3.37Å; R1270-T1273 PolarHBondContact O-N 2.93Å; R1270-K1274 WeakPolarHBondContact O-CG 3.41Å; R1270-K1274 PolarHBondContact O-N 3.25Å |
| 1271 | L | 92.4 | Very high | 92.4 | Very high | 103 Ų | 103 | 109.7 Ų | 109.7 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 177 | -74.9 | 171.9 | 0 | 0 | 0 | 111.3 | Q1267 I1268 T1273 K1274 V1275 | Q1267-L1271 WeakPolarHBondContact O-CG 3.48Å; Q1267-L1271 PolarHBondContact O-N 2.99Å; I1268-L1271 CarbonylContact O-C 3.58Å; I1268-L1271 PolarHBondContact O-N 3.46Å; I1268-L1271 VanDerWaalsContact O-N 3.09Å; L1271-T1273 VanDerWaalsContact C-N 3.29Å; L1271-T1273 PolarHBondContact O-N 3.25Å; L1271-K1274 CarbonylContact O-C 3.56Å; L1271-K1274 WeakPolarHBondContact O-CB 3.34Å; L1271-K1274 PolarHBondContact O-N 2.97Å; L1271-K1274 VanDerWaalsContact O-N 3.1Å; L1271-V1275 WeakPolarHBondContact O-CG2 3.34Å; L1271-V1275 PolarHBondContact O-N 3.09Å |
| 1272 | E | 92.9 | Very high | 92.4 | Very high | 117 Ų | 117 | 108.9 Ų | 108.9 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 174 | -73 | 175.9 | 160.2 | 0 | 0 | 111.5 | I1268 V1275 K1276 | I1268-E1272 HydrophobicContact CG2-CG 4.17Å; I1268-E1272 WeakPolarHBondContact O-CB 3.39Å; I1268-E1272 WeakPolarHBondContact O-CG 3.4Å; I1268-E1272 PolarHBondContact O-N 3.48Å; E1272-V1275 PolarHBondContact O-N 3Å; E1272-K1276 WeakPolarHBondContact O-CB 3.45Å; E1272-K1276 PolarHBondContact O-N 3.48Å |
| 1273 | T | 92.1 | Very high | 92.4 | Very high | 71 Ų | 71 | 107.4 Ų | 107.4 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 174.4 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | L1269 R1270 L1271 K1276 N1277 | L1269-T1273 WeakPolarHBondContact O-CB 3.35Å; L1269-T1273 PolarHBondContact O-N 3.06Å; L1269-T1273 PolarHBondContact O-OG1 2.94Å; R1270-T1273 PolarHBondContact O-N 2.93Å; L1271-T1273 VanDerWaalsContact C-N 3.29Å; L1271-T1273 PolarHBondContact O-N 3.25Å; T1273-K1276 PolarHBondContact O-N 3.48Å; T1273-N1277 PolarHBondContact O-N 3.05Å |
| 1274 | K | 93.5 | Very high | 92.3 | Very high | 137 Ų | 137 | 103.7 Ų | 103.7 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -42.7 | 174.4 | -76.4 | 178.2 | 179.4 | -179.1 | 0 | 111.9 | R1270 L1271 N1277 R1278 | R1270-K1274 WeakPolarHBondContact O-CG 3.41Å; R1270-K1274 PolarHBondContact O-N 3.25Å; L1271-K1274 CarbonylContact O-C 3.56Å; L1271-K1274 WeakPolarHBondContact O-CB 3.34Å; L1271-K1274 PolarHBondContact O-N 2.97Å; L1271-K1274 VanDerWaalsContact O-N 3.1Å; K1274-N1277 PolarHBondContact O-N 3.48Å; K1274-R1278 WeakPolarHBondContact O-CG 3.48Å; K1274-R1278 PolarHBondContact O-N 2.8Å |
| 1275 | V | 93.5 | Very high | 92.1 | Very high | 82 Ų | 82 | 103.8 Ų | 103.8 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 109.9 | L1271 E1272 N1277 R1278 D1279 | L1271-V1275 WeakPolarHBondContact O-CG2 3.34Å; L1271-V1275 PolarHBondContact O-N 3.09Å; E1272-V1275 PolarHBondContact O-N 3Å; V1275-N1277 VanDerWaalsContact C-N 3.33Å; V1275-N1277 PolarHBondContact O-N 2.76Å; V1275-R1278 CarbonylContact O-C 3.55Å; V1275-R1278 WeakPolarHBondContact O-CB 3.27Å; V1275-R1278 PolarHBondContact O-N 2.97Å; V1275-R1278 VanDerWaalsContact O-N 3.08Å; V1275-D1279 PolarHBondContact O-N 2.95Å |
| 1276 | K | 93.8 | Very high | 91.9 | Very high | 148 Ų | 148 | 101.7 Ų | 101.7 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.4 | -43.9 | 176.2 | -173.2 | 178.6 | -179.3 | 179.1 | 0 | 112.4 | E1272 T1273 D1279 T1280 | E1272-K1276 WeakPolarHBondContact O-CB 3.45Å; E1272-K1276 PolarHBondContact O-N 3.48Å; T1273-K1276 PolarHBondContact O-N 3.48Å; K1276-D1279 PolarHBondContact O-N 3.47Å; K1276-T1280 WeakPolarHBondContact O-CG2 3.35Å; K1276-T1280 PolarHBondContact O-N 3.35Å; K1276-T1280 PolarHBondContact O-OG1 3.43Å |
| 1277 | N | 94.3 | Very high | 91.8 | Very high | 99 Ų | 99 | 103 Ų | 103 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 175.5 | -78.3 | -1.9 | 0 | 0 | 0 | 111.6 | T1273 K1274 V1275 D1279 T1280 E1281 | T1273-N1277 PolarHBondContact O-N 3.05Å; K1274-N1277 PolarHBondContact O-N 3.48Å; V1275-N1277 VanDerWaalsContact C-N 3.33Å; V1275-N1277 PolarHBondContact O-N 2.76Å; N1277-D1279 VanDerWaalsContact C-N 3.31Å; N1277-D1279 PolarHBondContact O-N 3.39Å; N1277-T1280 WeakPolarHBondContact CA-OG1 3.42Å; N1277-T1280 PolarHBondContact O-N 2.94Å; N1277-T1280 PolarHBondContact O-OG1 2.81Å; N1277-E1281 WeakPolarHBondContact O-CB 3.35Å; N1277-E1281 PolarHBondContact O-N 3.31Å |
| 1278 | R | 90.5 | Very high | 91.6 | Very high | 154 Ų | 154 | 106.4 Ų | 106.4 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -35.2 | 175.3 | -70.7 | -175.9 | 69.1 | 71 | 0.1 | 112.5 | K1274 V1275 E1281 N1282 | K1274-R1278 WeakPolarHBondContact O-CG 3.48Å; K1274-R1278 PolarHBondContact O-N 2.8Å; V1275-R1278 CarbonylContact O-C 3.55Å; V1275-R1278 WeakPolarHBondContact O-CB 3.27Å; V1275-R1278 PolarHBondContact O-N 2.97Å; V1275-R1278 VanDerWaalsContact O-N 3.08Å; R1278-E1281 PolarHBondContact O-N 3.38Å; R1278-N1282 VanDerWaalsContact O-CB 3.27Å; R1278-N1282 WeakPolarHBondContact O-CB 3.48Å; R1278-N1282 PolarHBondContact O-N 3.1Å; R1278-N1282 PolarHBondContact O-ND2 2.92Å |
| 1279 | D | 93.8 | Very high | 91.1 | Very high | 77 Ų | 77 | 108.3 Ų | 108.3 | 41% | 0.412 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.1 | -39 | 175.1 | -73.1 | -31.3 | 0 | 0 | 0 | 111.8 | V1275 K1276 N1277 N1282 N1283 | V1275-D1279 PolarHBondContact O-N 2.95Å; K1276-D1279 PolarHBondContact O-N 3.47Å; N1277-D1279 VanDerWaalsContact C-N 3.31Å; N1277-D1279 PolarHBondContact O-N 3.39Å; D1279-N1282 PolarHBondContact O-N 3.08Å; D1279-N1283 WeakPolarHBondContact O-CB 3.22Å; D1279-N1283 PolarHBondContact O-N 2.69Å; D1279-N1283 PolarHBondContact O-ND2 2.84Å |
| 1280 | T | 91.2 | Very high | 90.6 | Very high | 84 Ų | 84 | 105.6 Ų | 105.6 | 52% | 0.515 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 172.9 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | K1276 N1277 N1283 G1284 | K1276-T1280 WeakPolarHBondContact O-CG2 3.35Å; K1276-T1280 PolarHBondContact O-N 3.35Å; K1276-T1280 PolarHBondContact O-OG1 3.43Å; N1277-T1280 WeakPolarHBondContact CA-OG1 3.42Å; N1277-T1280 PolarHBondContact O-N 2.94Å; N1277-T1280 PolarHBondContact O-OG1 2.81Å; T1280-N1283 PolarHBondContact O-N 3.45Å; T1280-G1284 PolarHBondContact O-N 3.26Å |
| 1281 | E | 92.7 | Very high | 90.1 | Very high | 118 Ų | 118 | 104.2 Ų | 104.2 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.7 | -47.1 | 174.6 | -174.7 | -179.3 | -173.2 | 0 | 0 | 110.9 | N1277 R1278 N1283 G1284 L1285 | N1277-E1281 WeakPolarHBondContact O-CB 3.35Å; N1277-E1281 PolarHBondContact O-N 3.31Å; R1278-E1281 PolarHBondContact O-N 3.38Å; E1281-N1283 VanDerWaalsContact C-N 3.34Å; E1281-N1283 PolarHBondContact O-N 2.81Å; E1281-G1284 PolarHBondContact O-N 2.83Å; E1281-L1285 WeakPolarHBondContact O-CG 3.5Å; E1281-L1285 PolarHBondContact O-N 3.45Å |
| 1282 | N | 91 | Very high | 89.2 | Confident | 58 Ų | 58 | 105.1 Ų | 105.1 | 31% | 0.31 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 175.9 | -87 | -28.3 | 0 | 0 | 0 | 112.3 | R1278 D1279 L1285 R1286 | R1278-N1282 VanDerWaalsContact O-CB 3.27Å; R1278-N1282 WeakPolarHBondContact O-CB 3.48Å; R1278-N1282 PolarHBondContact O-N 3.1Å; R1278-N1282 PolarHBondContact O-ND2 2.92Å; D1279-N1282 PolarHBondContact O-N 3.08Å; N1282-L1285 PolarHBondContact O-N 2.91Å; N1282-R1286 WeakPolarHBondContact O-CB 3.44Å; N1282-R1286 VanDerWaalsContact O-CG 3.29Å; N1282-R1286 WeakPolarHBondContact O-CG 3.42Å; N1282-R1286 PolarHBondContact O-N 3.43Å |
| 1283 | N | 90.9 | Very high | 88.3 | Confident | 80 Ų | 80 | 102 Ų | 102 | 43% | 0.428 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 175.7 | -73.2 | -14 | 0 | 0 | 0 | 111.3 | D1279 T1280 E1281 L1285 R1286 D1287 | D1279-N1283 WeakPolarHBondContact O-CB 3.22Å; D1279-N1283 PolarHBondContact O-N 2.69Å; D1279-N1283 PolarHBondContact O-ND2 2.84Å; T1280-N1283 PolarHBondContact O-N 3.45Å; E1281-N1283 VanDerWaalsContact C-N 3.34Å; E1281-N1283 PolarHBondContact O-N 2.81Å; N1283-L1285 VanDerWaalsContact C-N 3.3Å; N1283-L1285 PolarHBondContact O-N 3.42Å; N1283-R1286 PolarHBondContact O-N 3.21Å; N1283-R1286 VanDerWaalsContact O-N 3.16Å; N1283-R1286 PolarHBondContact OD1-NH1 3.42Å; N1283-D1287 PolarHBondContact O-N 3.26Å |
| 1284 | G | 91.9 | Very high | 87.5 | Confident | 31 Ų | 31 | 103.4 Ų | 103.4 | 32% | 0.32 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -37.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1280 E1281 R1288 | T1280-G1284 PolarHBondContact O-N 3.26Å; E1281-G1284 PolarHBondContact O-N 2.83Å; G1284-R1288 WeakPolarHBondContact O-CB 3.38Å; G1284-R1288 WeakPolarHBondContact O-CG 3.34Å; G1284-R1288 PolarHBondContact O-N 3.34Å |
| 1285 | L | 87.8 | Confident | 86.7 | Confident | 91 Ų | 91 | 100.6 Ų | 100.6 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 172.8 | -70.6 | 175.4 | 0 | 0 | 0 | 111.9 | E1281 N1282 N1283 R1288 L1289 | E1281-L1285 WeakPolarHBondContact O-CG 3.5Å; E1281-L1285 PolarHBondContact O-N 3.45Å; N1282-L1285 PolarHBondContact O-N 2.91Å; N1283-L1285 VanDerWaalsContact C-N 3.3Å; N1283-L1285 PolarHBondContact O-N 3.42Å; L1285-R1288 PolarHBondContact O-N 3.44Å; L1285-L1289 WeakPolarHBondContact O-CB 3.33Å; L1285-L1289 PolarHBondContact O-N 2.86Å |
| 1286 | R | 89.2 | Confident | 85.7 | Confident | 139 Ų | 139 | 99.1 Ų | 99.1 | 53% | 0.525 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -43 | 175.3 | -74 | 176.2 | -171.5 | 120.3 | 2 | 112 | N1282 N1283 L1289 A1290 | N1282-R1286 WeakPolarHBondContact O-CB 3.44Å; N1282-R1286 VanDerWaalsContact O-CG 3.29Å; N1282-R1286 WeakPolarHBondContact O-CG 3.42Å; N1282-R1286 PolarHBondContact O-N 3.43Å; N1283-R1286 PolarHBondContact O-N 3.21Å; N1283-R1286 VanDerWaalsContact O-N 3.16Å; N1283-R1286 PolarHBondContact OD1-NH1 3.42Å; R1286-L1289 WeakPolarHBondContact O-CB 3.29Å; R1286-L1289 PolarHBondContact O-N 2.84Å; R1286-A1290 WeakPolarHBondContact O-CB 2.97Å; R1286-A1290 PolarHBondContact O-N 3.16Å |
| 1287 | D | 87.5 | Confident | 84.7 | Confident | 114 Ų | 114 | 96.3 Ų | 96.3 | 61% | 0.61 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 178.2 | -71.8 | -17.3 | 0 | 0 | 0 | 111.5 | N1283 L1289 A1290 K1291 | N1283-D1287 PolarHBondContact O-N 3.26Å; D1287-L1289 VanDerWaalsContact C-N 3.34Å; D1287-A1290 PolarHBondContact O-N 2.9Å; D1287-K1291 WeakPolarHBondContact O-CB 3.34Å; D1287-K1291 PolarHBondContact O-N 2.93Å |
| 1288 | R | 87.8 | Confident | 83.5 | Confident | 182 Ų | 182 | 95 Ų | 95 | 69% | 0.687 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.5 | -43.4 | 172.8 | -79.2 | 178.7 | 174.1 | -174.6 | -0.1 | 111.5 | G1284 L1285 K1291 M1292 | G1284-R1288 WeakPolarHBondContact O-CB 3.38Å; G1284-R1288 WeakPolarHBondContact O-CG 3.34Å; G1284-R1288 PolarHBondContact O-N 3.34Å; L1285-R1288 PolarHBondContact O-N 3.44Å; R1288-K1291 PolarHBondContact O-N 3.46Å; R1288-M1292 WeakPolarHBondContact O-CB 3.44Å; R1288-M1292 VanDerWaalsContact O-CG 3.26Å; R1288-M1292 WeakPolarHBondContact O-CG 3.49Å; R1288-M1292 PolarHBondContact O-N 2.88Å |
| 1289 | L | 82.5 | Confident | 82.5 | Confident | 118 Ų | 118 | 94.8 Ų | 94.8 | 62% | 0.618 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -46 | 177.5 | -176.4 | 66.1 | 0 | 0 | 0 | 111.3 | L1285 R1286 D1287 K1291 M1292 A1293 | L1285-L1289 WeakPolarHBondContact O-CB 3.33Å; L1285-L1289 PolarHBondContact O-N 2.86Å; R1286-L1289 WeakPolarHBondContact O-CB 3.29Å; R1286-L1289 PolarHBondContact O-N 2.84Å; D1287-L1289 VanDerWaalsContact C-N 3.34Å; L1289-K1291 PolarHBondContact O-N 3.46Å; L1289-M1292 PolarHBondContact O-N 3.47Å; L1289-A1293 WeakPolarHBondContact O-CB 3.12Å; L1289-A1293 PolarHBondContact O-N 2.85Å |
| 1290 | A | 80.7 | Confident | 81.3 | Confident | 54 Ų | 54 | 95 Ų | 95 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1286 D1287 M1292 A1293 V1294 | R1286-A1290 WeakPolarHBondContact O-CB 2.97Å; R1286-A1290 PolarHBondContact O-N 3.16Å; D1287-A1290 PolarHBondContact O-N 2.9Å; A1290-M1292 PolarHBondContact O-N 3.39Å; A1290-A1293 PolarHBondContact O-N 3.14Å; A1290-V1294 WeakPolarHBondContact O-CG2 3.26Å; A1290-V1294 PolarHBondContact O-N 3.15Å |
| 1291 | K | 81.7 | Confident | 80.3 | Confident | 131 Ų | 131 | 94.7 Ų | 94.7 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 175.2 | -174.1 | 177 | -177.1 | -62 | 0 | 111.9 | D1287 R1288 L1289 V1294 D1295 | D1287-K1291 WeakPolarHBondContact O-CB 3.34Å; D1287-K1291 PolarHBondContact O-N 2.93Å; R1288-K1291 PolarHBondContact O-N 3.46Å; L1289-K1291 PolarHBondContact O-N 3.46Å; K1291-V1294 PolarHBondContact O-N 3.45Å; K1291-D1295 IonicContact NZ-OD2 2.85Å; K1291-D1295 PolarHBondContact NZ-OD2 2.85Å; K1291-D1295 WeakPolarHBondContact O-CB 3.29Å; K1291-D1295 PolarHBondContact O-N 3.32Å |
| 1292 | M | 72.9 | Confident | 79.3 | Confident | 123 Ų | 123 | 97.2 Ų | 97.2 | 61% | 0.606 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 175.7 | -76.7 | 178.5 | 64.5 | 0 | 0 | 111.6 | R1288 L1289 A1290 D1295 T1296 | R1288-M1292 WeakPolarHBondContact O-CB 3.44Å; R1288-M1292 VanDerWaalsContact O-CG 3.26Å; R1288-M1292 WeakPolarHBondContact O-CG 3.49Å; R1288-M1292 PolarHBondContact O-N 2.88Å; L1289-M1292 PolarHBondContact O-N 3.47Å; A1290-M1292 PolarHBondContact O-N 3.39Å; M1292-D1295 PolarHBondContact O-N 3.05Å; M1292-T1296 WeakPolarHBondContact O-CB 3.41Å; M1292-T1296 WeakPolarHBondContact O-CG2 3.5Å; M1292-T1296 PolarHBondContact O-N 2.83Å; M1292-T1296 PolarHBondContact O-OG1 2.88Å |
| 1293 | A | 74.4 | Confident | 78.4 | Confident | 52 Ų | 52 | 98.1 Ų | 98.1 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1289 A1290 T1296 D1297 | L1289-A1293 WeakPolarHBondContact O-CB 3.12Å; L1289-A1293 PolarHBondContact O-N 2.85Å; A1290-A1293 PolarHBondContact O-N 3.14Å; A1293-T1296 WeakPolarHBondContact CA-OG1 3.4Å; A1293-T1296 PolarHBondContact O-N 2.56Å; A1293-T1296 PolarHBondContact O-OG1 3.26Å; A1293-D1297 WeakPolarHBondContact O-CB 3.36Å; A1293-D1297 PolarHBondContact O-N 2.86Å |
| 1294 | V | 75.7 | Confident | 77.4 | Confident | 99 Ų | 99 | 97.2 Ų | 97.2 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 177 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | A1290 K1291 T1296 D1297 S1298 | A1290-V1294 WeakPolarHBondContact O-CG2 3.26Å; A1290-V1294 PolarHBondContact O-N 3.15Å; K1291-V1294 PolarHBondContact O-N 3.45Å; V1294-T1296 VanDerWaalsContact C-N 3.27Å; V1294-T1296 PolarHBondContact O-N 2.82Å; V1294-D1297 PolarHBondContact O-N 3.43Å; V1294-S1298 PolarHBondContact O-N 2.74Å; V1294-S1298 PolarHBondContact O-OG 3.41Å |
| 1295 | D | 75.9 | Confident | 76.3 | Confident | 78 Ų | 78 | 100.6 Ų | 100.6 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -28.2 | 177.1 | -81.7 | -16.8 | 0 | 0 | 0 | 112 | K1291 M1292 R1299 | K1291-D1295 IonicContact NZ-OD2 2.85Å; K1291-D1295 PolarHBondContact NZ-OD2 2.85Å; K1291-D1295 WeakPolarHBondContact O-CB 3.29Å; K1291-D1295 PolarHBondContact O-N 3.32Å; M1292-D1295 PolarHBondContact O-N 3.05Å; D1295-R1299 PolarHBondContact O-NH1 2.89Å |
| 1296 | T | 73.9 | Confident | 75.3 | Confident | 52 Ų | 52 | 103.5 Ų | 103.5 | 32% | 0.319 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -80 | -42.7 | 173.9 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | M1292 A1293 V1294 R1299 I1300 | M1292-T1296 WeakPolarHBondContact O-CB 3.41Å; M1292-T1296 WeakPolarHBondContact O-CG2 3.5Å; M1292-T1296 PolarHBondContact O-N 2.83Å; M1292-T1296 PolarHBondContact O-OG1 2.88Å; A1293-T1296 WeakPolarHBondContact CA-OG1 3.4Å; A1293-T1296 PolarHBondContact O-N 2.56Å; A1293-T1296 PolarHBondContact O-OG1 3.26Å; V1294-T1296 VanDerWaalsContact C-N 3.27Å; V1294-T1296 PolarHBondContact O-N 2.82Å; T1296-R1299 PolarHBondContact O-N 3.25Å; T1296-I1300 WeakPolarHBondContact O-CB 3.38Å; T1296-I1300 WeakPolarHBondContact O-CD1 3.21Å; T1296-I1300 WeakPolarHBondContact O-CG1 3.3Å; T1296-I1300 PolarHBondContact O-N 3.48Å |
| 1297 | D | 71.9 | Confident | 74.4 | Confident | 89 Ų | 89 | 101.2 Ų | 101.2 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -51.1 | -176.4 | -164.3 | 46.9 | 0 | 0 | 0 | 111.2 | A1293 V1294 R1299 I1300 D1301 | A1293-D1297 WeakPolarHBondContact O-CB 3.36Å; A1293-D1297 PolarHBondContact O-N 2.86Å; V1294-D1297 PolarHBondContact O-N 3.43Å; D1297-R1299 PolarHBondContact O-N 3.41Å; D1297-R1299 VanDerWaalsContact O-N 3.14Å; D1297-I1300 PolarHBondContact O-N 2.69Å; D1297-I1300 VanDerWaalsContact O-N 3.13Å; D1297-D1301 PolarHBondContact O-N 3.39Å |
| 1298 | S | 70.6 | Confident | 73.6 | Confident | 71 Ų | 71 | 97.3 Ų | 97.3 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -28.4 | 176.5 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | V1294 | V1294-S1298 PolarHBondContact O-N 2.74Å; V1294-S1298 PolarHBondContact O-OG 3.41Å |
| 1299 | R | 68.4 | Low | 72.8 | Confident | 149 Ų | 149 | 94 Ų | 94 | 56% | 0.562 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -81.8 | -39.6 | 177.3 | -169.3 | 172.3 | 70.6 | -110.7 | 6.6 | 111.5 | D1295 T1296 D1297 V1303 | D1295-R1299 PolarHBondContact O-NH1 2.89Å; T1296-R1299 PolarHBondContact O-N 3.25Å; D1297-R1299 PolarHBondContact O-N 3.41Å; D1297-R1299 VanDerWaalsContact O-N 3.14Å; R1299-V1303 WeakPolarHBondContact O-CG2 3.38Å; R1299-V1303 PolarHBondContact O-N 2.82Å |
| 1300 | I | 68.2 | Low | 72.1 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -50.4 | 177.2 | -69.3 | 159.2 | 0 | 0 | 0 | 109 | T1296 D1297 K1302 V1303 L1304 | T1296-I1300 WeakPolarHBondContact O-CB 3.38Å; T1296-I1300 WeakPolarHBondContact O-CD1 3.21Å; T1296-I1300 WeakPolarHBondContact O-CG1 3.3Å; T1296-I1300 PolarHBondContact O-N 3.48Å; D1297-I1300 PolarHBondContact O-N 2.69Å; D1297-I1300 VanDerWaalsContact O-N 3.13Å; I1300-K1302 VanDerWaalsContact C-N 3.34Å; I1300-K1302 PolarHBondContact O-N 2.79Å; I1300-V1303 PolarHBondContact O-N 3.43Å; I1300-V1303 VanDerWaalsContact O-N 3.11Å; I1300-L1304 HydrophobicContact CG2-CD1 4.08Å; I1300-L1304 WeakPolarHBondContact O-CB 3.32Å; I1300-L1304 PolarHBondContact O-N 2.69Å |
| 1301 | D | 69.9 | Low | 71.4 | Confident | 78 Ų | 78 | 93 Ų | 93 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -54.6 | -47.4 | 179.1 | -80.3 | -10.3 | 0 | 0 | 0 | 112.8 | D1297 V1303 L1304 I1305 | D1297-D1301 PolarHBondContact O-N 3.39Å; D1301-V1303 VanDerWaalsContact C-N 3.29Å; D1301-V1303 PolarHBondContact O-N 2.85Å; D1301-L1304 PolarHBondContact O-N 2.84Å; D1301-I1305 WeakPolarHBondContact O-CB 3.22Å; D1301-I1305 WeakPolarHBondContact O-CD1 3.19Å; D1301-I1305 VanDerWaalsContact O-CG1 3.24Å; D1301-I1305 WeakPolarHBondContact O-CG1 3.3Å; D1301-I1305 PolarHBondContact O-N 3.29Å |
| 1302 | K | 72.4 | Confident | 70.8 | Confident | 170 Ų | 170 | 89.8 Ų | 89.8 | 74% | 0.739 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.3 | -35 | -178.4 | -145.5 | -179.6 | -169.6 | -173.6 | 0 | 112.3 | I1300 K1306 | I1300-K1302 VanDerWaalsContact C-N 3.34Å; I1300-K1302 PolarHBondContact O-N 2.79Å; K1302-K1306 WeakPolarHBondContact O-CB 3.34Å; K1302-K1306 PolarHBondContact O-N 2.73Å |
| 1303 | V | 73.2 | Confident | 70.7 | Confident | 77 Ų | 77 | 89.5 Ų | 89.5 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -77.1 | -41.6 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111 | R1299 I1300 D1301 K1306 N1307 | R1299-V1303 WeakPolarHBondContact O-CG2 3.38Å; R1299-V1303 PolarHBondContact O-N 2.82Å; I1300-V1303 PolarHBondContact O-N 3.43Å; I1300-V1303 VanDerWaalsContact O-N 3.11Å; D1301-V1303 VanDerWaalsContact C-N 3.29Å; D1301-V1303 PolarHBondContact O-N 2.85Å; V1303-K1306 PolarHBondContact O-N 3.35Å; V1303-N1307 WeakPolarHBondContact O-CB 3.22Å; V1303-N1307 VanDerWaalsContact O-CG 3.32Å; V1303-N1307 PolarHBondContact O-N 3.49Å; V1303-N1307 PolarHBondContact O-ND2 2.93Å |
| 1304 | L | 69.1 | Low | 70.4 | Confident | 61 Ų | 61 | 94 Ų | 94 | 32% | 0.319 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -52 | 179.3 | -135.1 | 93.5 | 0 | 0 | 0 | 110.4 | I1300 D1301 K1306 N1307 L1308 F1381 | I1300-L1304 HydrophobicContact CG2-CD1 4.08Å; I1300-L1304 WeakPolarHBondContact O-CB 3.32Å; I1300-L1304 PolarHBondContact O-N 2.69Å; D1301-L1304 PolarHBondContact O-N 2.84Å; L1304-K1306 VanDerWaalsContact C-N 3.33Å; L1304-K1306 PolarHBondContact O-N 3.47Å; L1304-N1307 PolarHBondContact O-N 3.38Å; L1304-L1308 VanDerWaalsContact O-CB 3.3Å; L1304-L1308 WeakPolarHBondContact O-CB 3.35Å; L1304-L1308 PolarHBondContact O-N 2.73Å; L1304-F1381 HydrophobicContact CD1-CE1 4.06Å; L1304-F1381 HydrophobicContact CD1-CZ 4.44Å |
| 1305 | I | 69.2 | Low | 69.8 | Low | 102 Ų | 102 | 91.5 Ų | 91.5 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 179.6 | -66.9 | 161.2 | 0 | 0 | 0 | 110.6 | D1301 N1307 L1308 L1309 | D1301-I1305 WeakPolarHBondContact O-CB 3.22Å; D1301-I1305 WeakPolarHBondContact O-CD1 3.19Å; D1301-I1305 VanDerWaalsContact O-CG1 3.24Å; D1301-I1305 WeakPolarHBondContact O-CG1 3.3Å; D1301-I1305 PolarHBondContact O-N 3.29Å; I1305-N1307 PolarHBondContact O-N 2.98Å; I1305-L1308 PolarHBondContact O-N 3.44Å; I1305-L1309 WeakPolarHBondContact O-CB 3.38Å; I1305-L1309 PolarHBondContact O-N 3.33Å |
| 1306 | K | 65.5 | Low | 69.1 | Low | 152 Ų | 152 | 91.6 Ų | 91.6 | 66% | 0.661 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 179.1 | -166.3 | -177 | 178.4 | -173.7 | 0 | 111.5 | K1302 V1303 L1304 L1310 | K1302-K1306 WeakPolarHBondContact O-CB 3.34Å; K1302-K1306 PolarHBondContact O-N 2.73Å; V1303-K1306 PolarHBondContact O-N 3.35Å; L1304-K1306 VanDerWaalsContact C-N 3.33Å; L1304-K1306 PolarHBondContact O-N 3.47Å; K1306-L1310 VanDerWaalsContact O-CB 3.28Å; K1306-L1310 WeakPolarHBondContact O-CB 3.19Å; K1306-L1310 PolarHBondContact O-N 2.9Å |
| 1307 | N | 70.6 | Confident | 68.5 | Low | 91 Ų | 91 | 92.5 Ų | 92.5 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.7 | -36.4 | 178.5 | -72.7 | -17.8 | 0 | 0 | 0 | 112.4 | V1303 L1304 I1305 L1310 S1311 | V1303-N1307 WeakPolarHBondContact O-CB 3.22Å; V1303-N1307 VanDerWaalsContact O-CG 3.32Å; V1303-N1307 PolarHBondContact O-N 3.49Å; V1303-N1307 PolarHBondContact O-ND2 2.93Å; L1304-N1307 PolarHBondContact O-N 3.38Å; I1305-N1307 PolarHBondContact O-N 2.98Å; N1307-L1310 PolarHBondContact O-N 3.49Å; N1307-S1311 WeakPolarHBondContact O-CB 3.46Å; N1307-S1311 PolarHBondContact O-N 2.92Å; N1307-S1311 PolarHBondContact O-OG 3.02Å |
| 1308 | L | 71.9 | Confident | 67.9 | Low | 33 Ų | 33 | 93.1 Ų | 93.1 | 17% | 0.173 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 177.4 | -157 | 73.3 | 0 | 0 | 0 | 111.2 | L1304 I1305 S1311 Y1312 I1327 L1330 L1331 | L1304-L1308 VanDerWaalsContact O-CB 3.3Å; L1304-L1308 WeakPolarHBondContact O-CB 3.35Å; L1304-L1308 PolarHBondContact O-N 2.73Å; I1305-L1308 PolarHBondContact O-N 3.44Å; L1308-S1311 WeakPolarHBondContact CA-OG 3.36Å; L1308-S1311 PolarHBondContact O-OG 2.95Å; L1308-Y1312 WeakPolarHBondContact O-CB 3.5Å; L1308-Y1312 PolarHBondContact O-N 3.32Å; L1308-I1327 HydrophobicContact CD1-CG1 4.12Å; L1308-I1327 HydrophobicContact CD2-CG1 4.46Å; L1308-I1327 HydrophobicContact CD2-CG2 3.86Å; L1308-I1327 HydrophobicContact CG-CD1 4.46Å; L1308-I1327 HydrophobicContact CG-CG1 4.04Å; L1308-I1327 HydrophobicContact CG-CG2 4.25Å; L1308-L1330 HydrophobicContact CD1-CD2 3.4Å; L1308-L1330 VanDerWaalsContact CD1-CD2 3.4Å; L1308-L1330 HydrophobicContact CD2-CD2 3.96Å; L1308-L1330 HydrophobicContact CG-CD2 4.35Å; L1308-L1331 HydrophobicContact CD2-CD1 3.87Å; L1308-L1331 HydrophobicContact CD2-CD2 4.45Å; L1308-L1331 HydrophobicContact CD2-CG 3.98Å |
| 1309 | L | 70.3 | Confident | 67.3 | Low | 112 Ų | 112 | 94.6 Ų | 94.6 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.1 | -41.1 | 175.1 | -139.6 | 97.1 | 0 | 0 | 0 | 111.6 | I1305 Y1312 L1313 | I1305-L1309 WeakPolarHBondContact O-CB 3.38Å; I1305-L1309 PolarHBondContact O-N 3.33Å; L1309-Y1312 PolarHBondContact O-N 3.3Å; L1309-L1313 PolarHBondContact O-N 3.32Å |
| 1310 | L | 67.1 | Low | 67 | Low | 93 Ų | 93 | 92.2 Ų | 92.2 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | -179.7 | -153.4 | 79.2 | 0 | 0 | 0 | 111.5 | K1306 N1307 L1313 Q1314 | K1306-L1310 VanDerWaalsContact O-CB 3.28Å; K1306-L1310 WeakPolarHBondContact O-CB 3.19Å; K1306-L1310 PolarHBondContact O-N 2.9Å; N1307-L1310 PolarHBondContact O-N 3.49Å; L1310-L1313 PolarHBondContact O-N 2.78Å; L1310-Q1314 WeakPolarHBondContact O-CB 3.38Å; L1310-Q1314 WeakPolarHBondContact O-CG 3.49Å; L1310-Q1314 PolarHBondContact O-N 2.8Å; L1310-Q1314 VanDerWaalsContact O-N 3.11Å |
| 1311 | S | 66.7 | Low | 66.6 | Low | 57 Ų | 57 | 92.4 Ų | 92.4 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.1 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | N1307 L1308 L1315 | N1307-S1311 WeakPolarHBondContact O-CB 3.46Å; N1307-S1311 PolarHBondContact O-N 2.92Å; N1307-S1311 PolarHBondContact O-OG 3.02Å; L1308-S1311 WeakPolarHBondContact CA-OG 3.36Å; L1308-S1311 PolarHBondContact O-OG 2.95Å; S1311-L1315 WeakPolarHBondContact O-CD1 3.38Å |
| 1312 | Y | 68.8 | Low | 66.2 | Low | 64 Ų | 64 | 91.9 Ų | 91.9 | 25% | 0.251 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 173.8 | -176 | -116.1 | 0 | 0 | 0 | 113.9 | L1308 L1309 Q1314 L1315 R1320 A1323 I1324 I1327 | L1308-Y1312 WeakPolarHBondContact O-CB 3.5Å; L1308-Y1312 PolarHBondContact O-N 3.32Å; L1309-Y1312 PolarHBondContact O-N 3.3Å; Y1312-Q1314 VanDerWaalsContact C-N 3.29Å; Y1312-Q1314 PolarHBondContact O-N 3.46Å; Y1312-L1315 PolarHBondContact O-N 2.8Å; Y1312-R1320 HydrophobicContact CE2-CB 3.81Å; Y1312-R1320 HydrophobicContact CE2-CG 4.12Å; Y1312-R1320 WeakPolarHBondContact CE2-O 3.24Å; Y1312-A1323 HydrophobicContact CD2-CB 3.95Å; Y1312-A1323 HydrophobicContact CE2-CB 4.32Å; Y1312-I1324 HydrophobicContact CD2-CG1 4.38Å; Y1312-I1324 HydrophobicContact CE2-CD1 3.84Å; Y1312-I1324 HydrophobicContact CE2-CG1 3.48Å; Y1312-I1324 VanDerWaalsContact CE2-CG1 3.48Å; Y1312-I1324 WeakPolarHBondContact OH-CD1 3.18Å; Y1312-I1327 HydrophobicContact CD2-CD1 3.65Å; Y1312-I1327 HydrophobicContact CG-CD1 3.83Å |
| 1313 | L | 72.1 | Confident | 65.8 | Low | 118 Ų | 118 | 84.4 Ų | 84.4 | 62% | 0.618 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.3 | -31.1 | -176.5 | -108.2 | 82.8 | 0 | 0 | 0 | 112.9 | L1309 L1310 L1315 | L1309-L1313 PolarHBondContact O-N 3.32Å; L1310-L1313 PolarHBondContact O-N 2.78Å; L1313-L1315 VanDerWaalsContact C-N 3.28Å; L1313-L1315 PolarHBondContact O-N 2.87Å |
| 1314 | Q | 67.5 | Low | 65.4 | Low | 147 Ų | 147 | 82.1 Ų | 82.1 | 69% | 0.687 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -75.9 | -11.8 | -179.5 | -76.4 | 176.8 | -18.6 | 0 | 0 | 113.8 | L1310 Y1312 | L1310-Q1314 WeakPolarHBondContact O-CB 3.38Å; L1310-Q1314 WeakPolarHBondContact O-CG 3.49Å; L1310-Q1314 PolarHBondContact O-N 2.8Å; L1310-Q1314 VanDerWaalsContact O-N 3.11Å; Y1312-Q1314 VanDerWaalsContact C-N 3.29Å; Y1312-Q1314 PolarHBondContact O-N 3.46Å |
| 1315 | L | 63 | Low | 65.3 | Low | 46 Ų | 46 | 87.7 Ų | 87.7 | 24% | 0.241 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -76.4 | 138.1 | 179.7 | -78.6 | 127.8 | 0 | 0 | 0 | 112.7 | S1311 Y1312 L1313 Q1319 R1320 A1323 | S1311-L1315 WeakPolarHBondContact O-CD1 3.38Å; Y1312-L1315 PolarHBondContact O-N 2.8Å; L1313-L1315 VanDerWaalsContact C-N 3.28Å; L1313-L1315 PolarHBondContact O-N 2.87Å; L1315-Q1319 HydrophobicContact CD2-CB 3.77Å; L1315-R1320 HydrophobicContact CB-CG 4.19Å; L1315-R1320 PolarHBondContact O-NE 3.04Å; L1315-R1320 PolarHBondContact O-NH2 3.2Å; L1315-A1323 HydrophobicContact CD1-CB 3.72Å |
| 1316 | P | 60.8 | Low | 65.2 | Low | 79 Ų | 79 | 87.7 Ų | 87.7 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | trans | -54.8 | 146.6 | 168.4 | -21.8 | 31.5 | 0 | 0 | 0 | 111.4 | S1318 Q1319 R1320 | P1316-S1318 PolarHBondContact O-N 3.19Å; P1316-Q1319 PolarHBondContact O-N 3.24Å; P1316-R1320 PolarHBondContact O-N 2.89Å | ||
| 1317 | A | 60.6 | Low | 65.2 | Low | 72 Ų | 72 | 81.7 Ų | 81.7 | 60% | 0.595 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -54.1 | -29.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q1319 | A1317-Q1319 VanDerWaalsContact C-N 3.3Å; A1317-Q1319 PolarHBondContact O-N 3.4Å |
| 1318 | S | 59.5 | Low | 65 | Low | 101 Ų | 101 | 77.3 Ų | 77.3 | 71% | 0.706 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -69.4 | -22.8 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | P1316 | P1316-S1318 PolarHBondContact O-N 3.19Å |
| 1319 | Q | 58.7 | Low | 64.6 | Low | 102 Ų | 102 | 79.5 Ų | 79.5 | 48% | 0.477 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -103.4 | -12.3 | -179 | -64.8 | -170.2 | 9.7 | 0 | 0 | 113.5 | L1315 P1316 A1317 S1321 S1322 A1323 | L1315-Q1319 HydrophobicContact CD2-CB 3.77Å; P1316-Q1319 PolarHBondContact O-N 3.24Å; A1317-Q1319 VanDerWaalsContact C-N 3.3Å; A1317-Q1319 PolarHBondContact O-N 3.4Å; Q1319-S1321 VanDerWaalsContact C-N 3.29Å; Q1319-S1321 PolarHBondContact O-N 3.27Å; Q1319-S1322 PolarHBondContact O-N 2.85Å; Q1319-S1322 VanDerWaalsContact O-N 3.08Å; Q1319-S1322 PolarHBondContact O-OG 2.77Å; Q1319-A1323 PolarHBondContact O-N 3.43Å |
| 1320 | R | 61.6 | Low | 64.4 | Low | 100 Ų | 100 | 78.4 Ų | 78.4 | 38% | 0.377 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.4 | -35.3 | -179.1 | -70.2 | -174.9 | -159.1 | 146 | 0.3 | 113.3 | Y1312 L1315 P1316 S1322 A1323 I1324 | Y1312-R1320 HydrophobicContact CE2-CB 3.81Å; Y1312-R1320 HydrophobicContact CE2-CG 4.12Å; Y1312-R1320 WeakPolarHBondContact CE2-O 3.24Å; L1315-R1320 HydrophobicContact CB-CG 4.19Å; L1315-R1320 PolarHBondContact O-NE 3.04Å; L1315-R1320 PolarHBondContact O-NH2 3.2Å; P1316-R1320 PolarHBondContact O-N 2.89Å; R1320-S1322 VanDerWaalsContact C-N 3.33Å; R1320-S1322 PolarHBondContact O-N 3.11Å; R1320-A1323 PolarHBondContact O-N 3.13Å; R1320-I1324 PolarHBondContact O-N 3.26Å |
| 1321 | S | 60 | Low | 64.3 | Low | 86 Ų | 86 | 78.3 Ų | 78.3 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64 | -37.7 | 176 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | Q1319 R1325 | Q1319-S1321 VanDerWaalsContact C-N 3.29Å; Q1319-S1321 PolarHBondContact O-N 3.27Å; S1321-R1325 PolarHBondContact O-N 3.15Å |
| 1322 | S | 61 | Low | 64 | Low | 67 Ų | 67 | 83.1 Ų | 83.1 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 173.1 | 78.5 | 0 | 0 | 0 | 0 | 111.4 | Q1319 R1320 R1325 V1326 | Q1319-S1322 PolarHBondContact O-N 2.85Å; Q1319-S1322 VanDerWaalsContact O-N 3.08Å; Q1319-S1322 PolarHBondContact O-OG 2.77Å; R1320-S1322 VanDerWaalsContact C-N 3.33Å; R1320-S1322 PolarHBondContact O-N 3.11Å; S1322-R1325 WeakPolarHBondContact O-CB 3.42Å; S1322-R1325 PolarHBondContact O-N 3.31Å; S1322-R1325 VanDerWaalsContact O-N 3.13Å; S1322-V1326 PolarHBondContact O-N 2.92Å; S1322-V1326 VanDerWaalsContact O-N 3.14Å |
| 1323 | A | 64.3 | Low | 63.4 | Low | 12 Ų | 12 | 83.3 Ų | 83.3 | 10% | 0.099 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y1312 L1315 Q1319 R1320 R1325 V1326 I1327 | Y1312-A1323 HydrophobicContact CD2-CB 3.95Å; Y1312-A1323 HydrophobicContact CE2-CB 4.32Å; L1315-A1323 HydrophobicContact CD1-CB 3.72Å; Q1319-A1323 PolarHBondContact O-N 3.43Å; R1320-A1323 PolarHBondContact O-N 3.13Å; A1323-R1325 PolarHBondContact O-N 3.14Å; A1323-V1326 PolarHBondContact O-N 2.95Å; A1323-I1327 VanDerWaalsContact O-CB 3.27Å; A1323-I1327 WeakPolarHBondContact O-CB 3.45Å; A1323-I1327 WeakPolarHBondContact O-CG1 3.32Å; A1323-I1327 PolarHBondContact O-N 3.28Å |
| 1324 | I | 65.9 | Low | 62.8 | Low | 29 Ų | 29 | 80.3 Ų | 80.3 | 15% | 0.149 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -57.3 | -39.4 | 170 | -84 | 151.9 | 0 | 0 | 0 | 110.8 | Y1312 R1320 V1326 I1327 G1328 I1341 | Y1312-I1324 HydrophobicContact CD2-CG1 4.38Å; Y1312-I1324 HydrophobicContact CE2-CD1 3.84Å; Y1312-I1324 HydrophobicContact CE2-CG1 3.48Å; Y1312-I1324 VanDerWaalsContact CE2-CG1 3.48Å; Y1312-I1324 WeakPolarHBondContact OH-CD1 3.18Å; R1320-I1324 PolarHBondContact O-N 3.26Å; I1324-V1326 VanDerWaalsContact C-N 3.34Å; I1324-V1326 PolarHBondContact O-N 3.44Å; I1324-I1327 PolarHBondContact O-N 2.95Å; I1324-G1328 WeakPolarHBondContact O-CA 3.33Å; I1324-G1328 PolarHBondContact O-N 3.39Å; I1324-I1341 HydrophobicContact CB-CG2 4.47Å; I1324-I1341 HydrophobicContact CD1-CG2 3.46Å; I1324-I1341 VanDerWaalsContact CD1-CG2 3.46Å; I1324-I1341 HydrophobicContact CG1-CG2 4.03Å; I1324-I1341 HydrophobicContact CG2-CB 4.25Å; I1324-I1341 HydrophobicContact CG2-CG2 3.68Å |
| 1325 | R | 67.2 | Low | 62.3 | Low | 179 Ų | 179 | 79.8 Ų | 79.8 | 68% | 0.675 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.9 | -42.3 | 180 | -164.3 | 177.2 | -65.3 | -164.4 | -2 | 111.2 | S1321 S1322 A1323 S1329 Y1338 | S1321-R1325 PolarHBondContact O-N 3.15Å; S1322-R1325 WeakPolarHBondContact O-CB 3.42Å; S1322-R1325 PolarHBondContact O-N 3.31Å; S1322-R1325 VanDerWaalsContact O-N 3.13Å; A1323-R1325 PolarHBondContact O-N 3.14Å; R1325-S1329 WeakPolarHBondContact O-CB 3.35Å; R1325-S1329 PolarHBondContact O-N 2.9Å; R1325-S1329 PolarHBondContact O-OG 3.09Å; R1325-Y1338 HydrophobicContact CG-CE1 4.18Å |
| 1326 | V | 66.4 | Low | 62.1 | Low | 102 Ų | 102 | 84 Ų | 84 | 62% | 0.618 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.2 | -44.1 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | S1322 A1323 I1324 S1329 L1330 | S1322-V1326 PolarHBondContact O-N 2.92Å; S1322-V1326 VanDerWaalsContact O-N 3.14Å; A1323-V1326 PolarHBondContact O-N 2.95Å; I1324-V1326 VanDerWaalsContact C-N 3.34Å; I1324-V1326 PolarHBondContact O-N 3.44Å; V1326-S1329 WeakPolarHBondContact O-CB 3.49Å; V1326-S1329 PolarHBondContact O-N 2.83Å; V1326-L1330 PolarHBondContact O-N 2.94Å |
| 1327 | I | 66 | Low | 62.1 | Low | 25 Ų | 25 | 82.7 Ų | 82.7 | 13% | 0.128 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 178.7 | -71.9 | 168.6 | 0 | 0 | 0 | 111 | L1308 Y1312 A1323 I1324 S1329 L1330 L1331 | L1308-I1327 HydrophobicContact CD1-CG1 4.12Å; L1308-I1327 HydrophobicContact CD2-CG1 4.46Å; L1308-I1327 HydrophobicContact CD2-CG2 3.86Å; L1308-I1327 HydrophobicContact CG-CD1 4.46Å; L1308-I1327 HydrophobicContact CG-CG1 4.04Å; L1308-I1327 HydrophobicContact CG-CG2 4.25Å; Y1312-I1327 HydrophobicContact CD2-CD1 3.65Å; Y1312-I1327 HydrophobicContact CG-CD1 3.83Å; A1323-I1327 VanDerWaalsContact O-CB 3.27Å; A1323-I1327 WeakPolarHBondContact O-CB 3.45Å; A1323-I1327 WeakPolarHBondContact O-CG1 3.32Å; A1323-I1327 PolarHBondContact O-N 3.28Å; I1324-I1327 PolarHBondContact O-N 2.95Å; I1327-S1329 VanDerWaalsContact C-N 3.26Å; I1327-S1329 PolarHBondContact O-N 3.39Å; I1327-L1330 CarbonylContact O-C 3.56Å; I1327-L1330 WeakPolarHBondContact O-CA 3.39Å; I1327-L1330 WeakPolarHBondContact O-CB 3.41Å; I1327-L1330 PolarHBondContact O-N 3.08Å; I1327-L1330 VanDerWaalsContact O-N 3.08Å; I1327-L1331 HydrophobicContact CG2-CD1 3.63Å; I1327-L1331 HydrophobicContact CG2-CG 4.46Å; I1327-L1331 WeakPolarHBondContact O-CB 3.3Å; I1327-L1331 PolarHBondContact O-N 3.21Å |
| 1328 | G | 65.8 | Low | 62 | Low | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.5 | -32.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1324 L1330 E1332 F1333 Y1338 | I1324-G1328 WeakPolarHBondContact O-CA 3.33Å; I1324-G1328 PolarHBondContact O-N 3.39Å; G1328-L1330 VanDerWaalsContact C-N 3.31Å; G1328-E1332 CarbonylContact O-C 3.56Å; G1328-E1332 WeakPolarHBondContact O-CA 3.24Å; G1328-E1332 PolarHBondContact O-N 2.97Å; G1328-F1333 PolarHBondContact O-N 3.34Å; G1328-Y1338 PolarHBondContact O-OH 2.97Å |
| 1329 | S | 64.4 | Low | 61.6 | Low | 79 Ų | 79 | 83.5 Ų | 83.5 | 55% | 0.552 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.9 | -31.8 | 171.6 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | R1325 V1326 I1327 Y1338 | R1325-S1329 WeakPolarHBondContact O-CB 3.35Å; R1325-S1329 PolarHBondContact O-N 2.9Å; R1325-S1329 PolarHBondContact O-OG 3.09Å; V1326-S1329 WeakPolarHBondContact O-CB 3.49Å; V1326-S1329 PolarHBondContact O-N 2.83Å; I1327-S1329 VanDerWaalsContact C-N 3.26Å; I1327-S1329 PolarHBondContact O-N 3.39Å; S1329-Y1338 VanDerWaalsContact CA-OH 3.24Å; S1329-Y1338 WeakPolarHBondContact CA-OH 3.38Å; S1329-Y1338 PolarHBondContact N-OH 3.4Å; S1329-Y1338 PolarHBondContact OG-OH 2.84Å; S1329-Y1338 VanDerWaalsContact OG-OH 3.09Å |
| 1330 | L | 65 | Low | 61.6 | Low | 89 Ų | 89 | 85.6 Ų | 85.6 | 47% | 0.466 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -78.8 | -30.3 | 177.3 | -161 | 76.4 | 0 | 0 | 0 | 113.2 | L1308 V1326 I1327 G1328 | L1308-L1330 HydrophobicContact CD1-CD2 3.4Å; L1308-L1330 VanDerWaalsContact CD1-CD2 3.4Å; L1308-L1330 HydrophobicContact CD2-CD2 3.96Å; L1308-L1330 HydrophobicContact CG-CD2 4.35Å; V1326-L1330 PolarHBondContact O-N 2.94Å; I1327-L1330 CarbonylContact O-C 3.56Å; I1327-L1330 WeakPolarHBondContact O-CA 3.39Å; I1327-L1330 WeakPolarHBondContact O-CB 3.41Å; I1327-L1330 PolarHBondContact O-N 3.08Å; I1327-L1330 VanDerWaalsContact O-N 3.08Å; G1328-L1330 VanDerWaalsContact C-N 3.31Å |
| 1331 | L | 64.4 | Low | 61.4 | Low | 90 Ų | 90 | 84.4 Ų | 84.4 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 7.6 | 179.5 | -73.4 | 167.9 | 0 | 0 | 0 | 113.2 | L1308 I1327 F1333 | L1308-L1331 HydrophobicContact CD2-CD1 3.87Å; L1308-L1331 HydrophobicContact CD2-CD2 4.45Å; L1308-L1331 HydrophobicContact CD2-CG 3.98Å; I1327-L1331 HydrophobicContact CG2-CD1 3.63Å; I1327-L1331 HydrophobicContact CG2-CG 4.46Å; I1327-L1331 WeakPolarHBondContact O-CB 3.3Å; I1327-L1331 PolarHBondContact O-N 3.21Å; L1331-F1333 HydrophobicContact CB-CD1 4.07Å; L1331-F1333 HydrophobicContact CB-CE1 3.91Å; L1331-F1333 HydrophobicContact CD1-CE1 4.21Å; L1331-F1333 HydrophobicContact CD1-CZ 4.3Å; L1331-F1333 PolarHBondContact O-N 3.46Å |
| 1332 | E | 61.4 | Low | 60.9 | Low | 159 Ų | 159 | 82.4 Ų | 82.4 | 74% | 0.743 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 44.8 | -178.9 | -58.2 | -174.1 | 172.2 | 0 | 0 | 114.9 | G1328 S1334 | G1328-E1332 CarbonylContact O-C 3.56Å; G1328-E1332 WeakPolarHBondContact O-CA 3.24Å; G1328-E1332 PolarHBondContact O-N 2.97Å; E1332-S1334 PolarHBondContact O-N 2.91Å |
| 1333 | F | 56.1 | Low | 59.7 | Low | 68 Ų | 68 | 85.8 Ų | 85.8 | 30% | 0.298 | 45% | 0.445 | S | S | . | . | trans | -58.5 | 131 | 170.2 | -77 | 5.6 | 0 | 0 | 0 | 110 | G1328 L1331 D1337 Y1338 I1341 | G1328-F1333 PolarHBondContact O-N 3.34Å; L1331-F1333 HydrophobicContact CB-CD1 4.07Å; L1331-F1333 HydrophobicContact CB-CE1 3.91Å; L1331-F1333 HydrophobicContact CD1-CE1 4.21Å; L1331-F1333 HydrophobicContact CD1-CZ 4.3Å; L1331-F1333 PolarHBondContact O-N 3.46Å; F1333-D1337 HydrophobicContact CB-CB 3.88Å; F1333-D1337 HydrophobicContact CD2-CB 4.44Å; F1333-D1337 HydrophobicContact CG-CB 4.15Å; F1333-Y1338 HydrophobicContact CB-CE1 4.48Å; F1333-Y1338 HydrophobicContact CB-CE2 4.23Å; F1333-Y1338 WeakPolarHBondContact O-CE2 3.44Å; F1333-I1341 HydrophobicContact CD2-CD1 3.76Å; F1333-I1341 HydrophobicContact CE2-CD1 3.58Å | ||
| 1334 | S | 59.9 | Low | 58 | Low | 54 Ų | 54 | 93 Ų | 93 | 38% | 0.378 | 48% | 0.477 | S | S | . | . | trans | -67.1 | 160.9 | 175.9 | 70.5 | 0 | 0 | 0 | 0 | 110.7 | E1332 E1336 D1337 Y1338 | E1332-S1334 PolarHBondContact O-N 2.91Å; S1334-E1336 PolarHBondContact O-N 2.72Å; S1334-E1336 VanDerWaalsContact O-N 3.09Å; S1334-D1337 WeakPolarHBondContact CB-OD2 3.24Å; S1334-D1337 PolarHBondContact N-OD2 3.28Å; S1334-D1337 VanDerWaalsContact N-OD2 3.11Å; S1334-D1337 WeakPolarHBondContact O-CA 3.4Å; S1334-D1337 WeakPolarHBondContact O-CB 3.4Å; S1334-D1337 PolarHBondContact O-N 3.48Å; S1334-D1337 PolarHBondContact OG-N 3.5Å; S1334-D1337 PolarHBondContact OG-OD2 2.82Å; S1334-Y1338 VanDerWaalsContact O-CD2 3.25Å; S1334-Y1338 WeakPolarHBondContact O-CD2 3.36Å; S1334-Y1338 PolarHBondContact O-N 2.78Å | ||
| 1335 | D | 57.3 | Low | 56.4 | Low | 136 Ų | 136 | 97.9 Ų | 97.9 | 73% | 0.727 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -52.6 | -32.4 | 173.6 | -80.2 | -30.4 | 0 | 0 | 0 | 112.1 | L1339 | D1335-L1339 WeakPolarHBondContact O-CB 3.44Å; D1335-L1339 PolarHBondContact O-N 2.85Å |
| 1336 | E | 57.6 | Low | 54.7 | Low | 134 Ų | 134 | 92.3 Ų | 92.3 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.5 | -32.1 | 175.6 | -170.7 | 148.3 | -126.8 | 0 | 0 | 112.8 | S1334 L1339 K1340 | S1334-E1336 PolarHBondContact O-N 2.72Å; S1334-E1336 VanDerWaalsContact O-N 3.09Å; E1336-L1339 PolarHBondContact O-N 3.09Å; E1336-K1340 WeakPolarHBondContact O-CG 3.41Å; E1336-K1340 PolarHBondContact O-N 3.11Å |
| 1337 | D | 61.8 | Low | 53 | Low | 52 Ų | 52 | 93.7 Ų | 93.7 | 28% | 0.278 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -75 | -35.9 | 174.5 | -58.8 | -41.9 | 0 | 0 | 0 | 111.4 | F1333 S1334 L1339 K1340 I1341 | F1333-D1337 HydrophobicContact CB-CB 3.88Å; F1333-D1337 HydrophobicContact CD2-CB 4.44Å; F1333-D1337 HydrophobicContact CG-CB 4.15Å; S1334-D1337 WeakPolarHBondContact CB-OD2 3.24Å; S1334-D1337 PolarHBondContact N-OD2 3.28Å; S1334-D1337 VanDerWaalsContact N-OD2 3.11Å; S1334-D1337 WeakPolarHBondContact O-CA 3.4Å; S1334-D1337 WeakPolarHBondContact O-CB 3.4Å; S1334-D1337 PolarHBondContact O-N 3.48Å; S1334-D1337 PolarHBondContact OG-N 3.5Å; S1334-D1337 PolarHBondContact OG-OD2 2.82Å; D1337-L1339 VanDerWaalsContact C-N 3.32Å; D1337-L1339 PolarHBondContact O-N 2.68Å; D1337-K1340 PolarHBondContact O-N 3.23Å; D1337-K1340 IonicContact OD1-NZ 3.42Å; D1337-K1340 PolarHBondContact OD1-NZ 2.79Å; D1337-I1341 WeakPolarHBondContact O-CD1 3.25Å; D1337-I1341 WeakPolarHBondContact O-CG1 3.04Å; D1337-I1341 PolarHBondContact O-N 3.14Å |
| 1338 | Y | 57.5 | Low | 51.2 | Low | 57 Ų | 57 | 99.7 Ų | 99.7 | 22% | 0.224 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -61.1 | -42 | 168.7 | -70.7 | -69.7 | 0 | 0 | 0 | 111.8 | R1325 G1328 S1329 F1333 S1334 I1341 G1342 | R1325-Y1338 HydrophobicContact CG-CE1 4.18Å; G1328-Y1338 PolarHBondContact O-OH 2.97Å; S1329-Y1338 VanDerWaalsContact CA-OH 3.24Å; S1329-Y1338 WeakPolarHBondContact CA-OH 3.38Å; S1329-Y1338 PolarHBondContact N-OH 3.4Å; S1329-Y1338 PolarHBondContact OG-OH 2.84Å; S1329-Y1338 VanDerWaalsContact OG-OH 3.09Å; F1333-Y1338 HydrophobicContact CB-CE1 4.48Å; F1333-Y1338 HydrophobicContact CB-CE2 4.23Å; F1333-Y1338 WeakPolarHBondContact O-CE2 3.44Å; S1334-Y1338 VanDerWaalsContact O-CD2 3.25Å; S1334-Y1338 WeakPolarHBondContact O-CD2 3.36Å; S1334-Y1338 PolarHBondContact O-N 2.78Å; Y1338-I1341 PolarHBondContact O-N 3.38Å; Y1338-G1342 PolarHBondContact O-N 3.33Å |
| 1339 | L | 51 | Low | 49.7 | Very low | 134 Ų | 134 | 105.2 Ų | 105.2 | 70% | 0.702 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.2 | -38.1 | 177.2 | -93.1 | 153.8 | 0 | 0 | 0 | 112.8 | D1335 E1336 D1337 I1341 | D1335-L1339 WeakPolarHBondContact O-CB 3.44Å; D1335-L1339 PolarHBondContact O-N 2.85Å; E1336-L1339 PolarHBondContact O-N 3.09Å; D1337-L1339 VanDerWaalsContact C-N 3.32Å; D1337-L1339 PolarHBondContact O-N 2.68Å; L1339-I1341 PolarHBondContact O-N 3.26Å |
| 1340 | K | 58.7 | Low | 48.5 | Very low | 146 Ų | 146 | 110.3 Ų | 110.3 | 64% | 0.635 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.5 | -24.7 | 175 | -75.4 | 168.1 | -163.2 | 159.4 | 0 | 113 | E1336 D1337 | E1336-K1340 WeakPolarHBondContact O-CG 3.41Å; E1336-K1340 PolarHBondContact O-N 3.11Å; D1337-K1340 PolarHBondContact O-N 3.23Å; D1337-K1340 IonicContact OD1-NZ 3.42Å; D1337-K1340 PolarHBondContact OD1-NZ 2.79Å |
| 1341 | I | 57.1 | Low | 47.3 | Very low | 75 Ų | 75 | 113.8 Ų | 113.8 | 39% | 0.385 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -109 | -16.7 | -170.8 | -51.4 | 162.9 | 0 | 0 | 0 | 112.2 | I1324 F1333 D1337 Y1338 L1339 | I1324-I1341 HydrophobicContact CB-CG2 4.47Å; I1324-I1341 HydrophobicContact CD1-CG2 3.46Å; I1324-I1341 VanDerWaalsContact CD1-CG2 3.46Å; I1324-I1341 HydrophobicContact CG1-CG2 4.03Å; I1324-I1341 HydrophobicContact CG2-CB 4.25Å; I1324-I1341 HydrophobicContact CG2-CG2 3.68Å; F1333-I1341 HydrophobicContact CD2-CD1 3.76Å; F1333-I1341 HydrophobicContact CE2-CD1 3.58Å; D1337-I1341 WeakPolarHBondContact O-CD1 3.25Å; D1337-I1341 WeakPolarHBondContact O-CG1 3.04Å; D1337-I1341 PolarHBondContact O-N 3.14Å; Y1338-I1341 PolarHBondContact O-N 3.38Å; L1339-I1341 PolarHBondContact O-N 3.26Å |
| 1342 | G | 51.3 | Low | 46 | Very low | 44 Ų | 44 | 116.3 Ų | 116.3 | 45% | 0.454 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -117.4 | 108.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1338 E1344 | Y1338-G1342 PolarHBondContact O-N 3.33Å; G1342-E1344 PolarHBondContact O-N 2.69Å |
| 1343 | N | 35.4 | Very low | 44.7 | Very low | 138 Ų | 138 | 117.6 Ų | 117.6 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | trans | -47.4 | 126.5 | 176.8 | -91.5 | 37.7 | 0 | 0 | 0 | 115 | ||||
| 1344 | E | 29.1 | Very low | 43.8 | Very low | 163 Ų | 163 | 124 Ų | 124 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | trans | 43.1 | 117.6 | 143.5 | 73.9 | -142.4 | 146.9 | 0 | 0 | 121.7 | G1342 | G1342-E1344 PolarHBondContact O-N 2.69Š| ||
| 1345 | S | 31.7 | Very low | 42.8 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 92% | 0.916 | 65% | 0.651 | S | S | * | * | trans | 98.5 | 112.6 | 147.6 | -147.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1346 | G | 31.6 | Very low | 42 | Very low | 62 Ų | 62 | 126.5 Ų | 126.5 | 64% | 0.639 | 65% | 0.651 | S | S | * | * | trans | 98.7 | 87 | 130.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1347 | T | 29.6 | Very low | 41 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 81% | 0.81 | 65% | 0.652 | S | S | * | * | trans | 37 | 119.6 | 135.8 | 51 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1348 | L | 27.8 | Very low | 39.6 | Very low | 151 Ų | 151 | 127.3 Ų | 127.3 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | -173.3 | 121.4 | 115.7 | -98.9 | 174.1 | 0 | 0 | 0 | 112.2 | |||||
| 1349 | P | 35.4 | Very low | 38.5 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 75% | 0.747 | 69% | 0.692 | S | S | * | * | trans | -87.5 | 109.9 | 172.1 | 30.8 | -26.7 | 0 | 0 | 0 | 111.1 | ||||
| 1350 | K | 39.3 | Very low | 37.8 | Very low | 186 Ų | 186 | 128.1 Ų | 128.1 | 81% | 0.809 | 69% | 0.687 | S | S | * | * | trans | -137 | -10.1 | 169.8 | -96.6 | -178.6 | 179.2 | 175.3 | 0 | 115.8 | ||||
| 1351 | L | 39.3 | Very low | 36.4 | Very low | 162 Ų | 162 | 129.1 Ų | 129.1 | 85% | 0.848 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -81.2 | -15.7 | -179.9 | -149 | 101.1 | 0 | 0 | 0 | 113.8 | K1353 | L1351-K1353 PolarHBondContact O-N 3Å; L1351-K1353 VanDerWaalsContact O-N 3.15Å |
| 1352 | M | 37 | Very low | 35 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -77.4 | 5.3 | -174 | -121.4 | -97.9 | -137.8 | 0 | 0 | 115 | ||
| 1353 | K | 33.5 | Very low | 34 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -110.9 | -12.7 | 179.2 | -91.9 | -173.5 | 175.1 | -178.1 | 0 | 115.8 | L1351 | L1351-K1353 PolarHBondContact O-N 3Å; L1351-K1353 VanDerWaalsContact O-N 3.15Å |
| 1354 | W | 37.8 | Very low | 33.6 | Very low | 202 Ų | 202 | 136 Ų | 136 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -33.4 | -179.6 | -172.4 | 49.3 | 0 | 0 | 0 | 113.3 | R1356 | W1354-R1356 VanDerWaalsContact C-N 3.33Å; W1354-R1356 PolarHBondContact O-N 2.86Å |
| 1355 | V | 39.7 | Very low | 33.3 | Very low | 51 Ų | 51 | 131.5 Ų | 131.5 | 31% | 0.309 | 74% | 0.739 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.4 | -11.8 | -172.5 | 169.3 | 0 | 0 | 0 | 0 | 114.1 | S1373 S1374 | V1355-S1373 WeakPolarHBondContact CA-OG 3.42Å; V1355-S1373 WeakPolarHBondContact CG1-OG 3.45Å; V1355-S1374 VanDerWaalsContact CG1-CB 3.42Å |
| 1356 | R | 40.7 | Very low | 33 | Very low | 193 Ų | 193 | 131.2 Ų | 131.2 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 5 | -174.5 | -90.6 | -161.2 | -82.3 | -156.8 | -6.2 | 116.8 | W1354 | W1354-R1356 VanDerWaalsContact C-N 3.33Å; W1354-R1356 PolarHBondContact O-N 2.86Å |
| 1357 | T | 35.7 | Very low | 33.1 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -122.9 | 15.4 | -176 | 40.8 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1358 | T | 32.1 | Very low | 32.8 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -130.9 | 20.7 | -179.9 | 53.4 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1359 | V | 34.9 | Very low | 32.8 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -125.1 | 31.9 | 168.1 | -159.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1360 | S | 35.3 | Very low | 32.4 | Very low | 86 Ų | 86 | 136.7 Ų | 136.7 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | trans | -121.3 | 86.3 | 167.9 | 60.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1361 | N | 29.7 | Very low | 31.7 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | trans | 170.7 | 121.6 | 132.6 | -80.7 | -9.8 | 0 | 0 | 0 | 111.1 | ||||
| 1362 | L | 27.4 | Very low | 31.1 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | -47.2 | -176.5 | 162.8 | -145.9 | 69.4 | 0 | 0 | 0 | 112.8 | ||||
| 1363 | P | 31.1 | Very low | 30.6 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | -118.8 | 178 | -52.6 | 20.9 | 1.3 | 0 | 0 | 0 | 113.8 | |||||
| 1364 | S | 26.5 | Very low | 30.5 | Very low | 124 Ų | 124 | 122.7 Ų | 122.7 | 87% | 0.867 | 69% | 0.694 | S | S | * | * | trans | 102.6 | 108.4 | 152.3 | -148.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1365 | G | 22.8 | Very low | 30.2 | Very low | 68 Ų | 68 | 119.4 Ų | 119.4 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | trans | 84.5 | 153.8 | 141.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1366 | P | 26.7 | Very low | 29.9 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -85.2 | -177.3 | -155.7 | 42.1 | -40.6 | 0 | 0 | 0 | 112.8 | ||||
| 1367 | P | 32.1 | Very low | 29.9 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | -134.2 | 118.3 | -69.5 | 35.2 | -17.1 | 0 | 0 | 0 | 111.5 | |||||
| 1368 | K | 25.1 | Very low | 30 | Very low | 196 Ų | 196 | 119.4 Ų | 119.4 | 85% | 0.852 | 70% | 0.7 | S | S | * | * | trans | -153.7 | 136.7 | 165.3 | -67.4 | -172.1 | 179.5 | 167.6 | 0 | 110 | ||||
| 1369 | D | 26.7 | Very low | 30.4 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | trans | 68.2 | 106.6 | 163.3 | -53.7 | -27.6 | 0 | 0 | 0 | 117.8 | ||||
| 1370 | V | 28 | Very low | 31.1 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | 83.2 | 105.5 | 70.3 | 170.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1371 | L | 22.8 | Very low | 31.7 | Very low | 147 Ų | 147 | 118.5 Ų | 118.5 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | 74.2 | 144.2 | 158.8 | -49 | 173.1 | 0 | 0 | 0 | 118.6 | ||||
| 1372 | L | 27.9 | Very low | 32.9 | Very low | 112 Ų | 112 | 114.1 Ų | 114.1 | 59% | 0.586 | 65% | 0.654 | S | S | * | * | cis | 179.8 | 125.2 | -7.7 | -98.1 | 168.2 | 0 | 0 | 0 | 103.2 | ||||
| 1373 | S | 25.8 | Very low | 34.5 | Very low | 37 Ų | 37 | 111.1 Ų | 111.1 | 26% | 0.259 | 64% | 0.636 | S | S | . | * | trans | -169.1 | 103.2 | 152.9 | -89.4 | 0 | 0 | 0 | 0 | 113.6 | V1355 | V1355-S1373 WeakPolarHBondContact CA-OG 3.42Å; V1355-S1373 WeakPolarHBondContact CG1-OG 3.45Å | ||
| 1374 | S | 31.1 | Very low | 35.7 | Very low | 88 Ų | 88 | 111 Ų | 111 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 86.9 | 7.9 | 137.6 | -134.2 | 0 | 0 | 0 | 0 | 124.3 | V1355 | V1355-S1374 VanDerWaalsContact CG1-CB 3.42Š|
| 1375 | N | 31.6 | Very low | 37.5 | Very low | 132 Ų | 132 | 108.4 Ų | 108.4 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | trans | -120.5 | 26.1 | 166.1 | -155.6 | 42.9 | 0 | 0 | 0 | 114.3 | ||||
| 1376 | N | 33.4 | Very low | 39.4 | Very low | 90 Ų | 90 | 109.8 Ų | 109.8 | 48% | 0.481 | 60% | 0.595 | S | S | . | * | trans | -102.7 | 24.7 | 174.4 | -70.9 | -10.2 | 0 | 0 | 0 | 112.3 | D1378 K1379 | N1376-D1378 PolarHBondContact O-N 3.39Å; N1376-K1379 HydrophobicContact CB-CD 4.19Å; N1376-K1379 HydrophobicContact CB-CG 4.13Å; N1376-K1379 VanDerWaalsContact CG-CE 3.44Å; N1376-K1379 WeakPolarHBondContact OD1-CE 3.38Å | ||
| 1377 | N | 41.1 | Very low | 41.1 | Very low | 132 Ų | 132 | 106.2 Ų | 106.2 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -5.6 | 169.6 | -72.6 | 3.6 | 0 | 0 | 0 | 112.2 | ||
| 1378 | D | 38.5 | Very low | 42.8 | Very low | 127 Ų | 127 | 106.7 Ų | 106.7 | 68% | 0.679 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 6.6 | -178.3 | -56.8 | -14.4 | 0 | 0 | 0 | 113.5 | N1376 T1380 | N1376-D1378 PolarHBondContact O-N 3.39Å; D1378-T1380 PolarHBondContact O-N 3.49Å |
| 1379 | K | 40.4 | Very low | 44.6 | Very low | 99 Ų | 99 | 101 Ų | 101 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | trans | -75.6 | 92.6 | 173.7 | -61.2 | -162 | 173.1 | -172.7 | 0 | 109 | N1376 E1383 L1384 | N1376-K1379 HydrophobicContact CB-CD 4.19Å; N1376-K1379 HydrophobicContact CB-CG 4.13Å; N1376-K1379 VanDerWaalsContact CG-CE 3.44Å; N1376-K1379 WeakPolarHBondContact OD1-CE 3.38Å; K1379-E1383 HydrophobicContact CB-CB 4.39Å; K1379-E1383 WeakPolarHBondContact CG-OE2 3.45Å; K1379-L1384 HydrophobicContact CB-CD1 4.26Å; K1379-L1384 HydrophobicContact CD-CD1 4.4Å | ||
| 1380 | T | 48.6 | Very low | 46.1 | Very low | 87 Ų | 87 | 100.9 Ų | 100.9 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | trans | -49.4 | 147.2 | 172.9 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | D1378 T1382 E1383 L1384 | D1378-T1380 PolarHBondContact O-N 3.49Å; T1380-T1382 PolarHBondContact O-N 3.24Å; T1380-E1383 WeakPolarHBondContact O-CB 3.36Å; T1380-E1383 PolarHBondContact O-N 3.02Å; T1380-L1384 PolarHBondContact O-N 2.73Å | ||
| 1381 | F | 48.4 | Very low | 47.6 | Very low | 101 Ų | 101 | 102.9 Ų | 102.9 | 44% | 0.443 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -46.3 | -33.2 | 177.8 | 171.6 | -99.7 | 0 | 0 | 0 | 112.7 | L1304 L1384 L1385 | L1304-F1381 HydrophobicContact CD1-CE1 4.06Å; L1304-F1381 HydrophobicContact CD1-CZ 4.44Å; F1381-L1384 PolarHBondContact O-N 3.04Å; F1381-L1385 HydrophobicContact CE1-CD2 4.21Å; F1381-L1385 VanDerWaalsContact O-CB 3.24Å; F1381-L1385 WeakPolarHBondContact O-CB 3.34Å; F1381-L1385 PolarHBondContact O-N 3.39Å |
| 1382 | T | 56 | Low | 49.4 | Very low | 75 Ų | 75 | 102.5 Ų | 102.5 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 174.7 | -40.5 | 0 | 0 | 0 | 0 | 113.4 | T1380 L1385 L1386 | T1380-T1382 PolarHBondContact O-N 3.24Å; T1382-L1385 PolarHBondContact O-N 3.22Å; T1382-L1386 HydrophobicContact CG2-CD1 4.27Å; T1382-L1386 WeakPolarHBondContact O-CB 3.19Å; T1382-L1386 WeakPolarHBondContact O-CG 3.43Å; T1382-L1386 PolarHBondContact O-N 3.13Å |
| 1383 | E | 59.6 | Low | 50.6 | Low | 102 Ų | 102 | 101.2 Ų | 101.2 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70 | -37.8 | 174.5 | -105.9 | -170.8 | -179.2 | 0 | 0 | 112.1 | K1379 T1380 L1385 L1386 A1387 | K1379-E1383 HydrophobicContact CB-CB 4.39Å; K1379-E1383 WeakPolarHBondContact CG-OE2 3.45Å; T1380-E1383 WeakPolarHBondContact O-CB 3.36Å; T1380-E1383 PolarHBondContact O-N 3.02Å; E1383-L1385 VanDerWaalsContact C-N 3.35Å; E1383-L1386 PolarHBondContact O-N 3.27Å; E1383-A1387 VanDerWaalsContact O-CB 3.3Å; E1383-A1387 WeakPolarHBondContact O-CB 3.43Å; E1383-A1387 PolarHBondContact O-N 3.36Å |
| 1384 | L | 56.3 | Low | 51.2 | Low | 110 Ų | 110 | 103.2 Ų | 103.2 | 58% | 0.576 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.3 | -37.5 | 173.7 | -124.8 | 77.1 | 0 | 0 | 0 | 111.4 | K1379 T1380 F1381 A1387 F1388 | K1379-L1384 HydrophobicContact CB-CD1 4.26Å; K1379-L1384 HydrophobicContact CD-CD1 4.4Å; T1380-L1384 PolarHBondContact O-N 2.73Å; F1381-L1384 PolarHBondContact O-N 3.04Å; L1384-A1387 PolarHBondContact O-N 2.96Å; L1384-F1388 WeakPolarHBondContact O-CB 3.28Å; L1384-F1388 PolarHBondContact O-N 2.81Å |
| 1385 | L | 64.2 | Low | 51.9 | Low | 69 Ų | 69 | 104.7 Ų | 104.7 | 36% | 0.361 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70 | -39.3 | 174.7 | -175.6 | 69 | 0 | 0 | 0 | 111.2 | F1381 T1382 E1383 F1388 L1389 | F1381-L1385 HydrophobicContact CE1-CD2 4.21Å; F1381-L1385 VanDerWaalsContact O-CB 3.24Å; F1381-L1385 WeakPolarHBondContact O-CB 3.34Å; F1381-L1385 PolarHBondContact O-N 3.39Å; T1382-L1385 PolarHBondContact O-N 3.22Å; E1383-L1385 VanDerWaalsContact C-N 3.35Å; L1385-F1388 PolarHBondContact O-N 3.47Å; L1385-L1389 HydrophobicContact CD1-CD1 4.47Å; L1385-L1389 HydrophobicContact CD2-CD1 4.47Å; L1385-L1389 HydrophobicContact CG-CD1 3.95Å; L1385-L1389 HydrophobicContact CG-CG 4.4Å; L1385-L1389 VanDerWaalsContact O-CB 3.22Å; L1385-L1389 WeakPolarHBondContact O-CB 3.42Å; L1385-L1389 WeakPolarHBondContact O-CG 3.27Å; L1385-L1389 PolarHBondContact O-N 3.05Å |
| 1386 | L | 62.5 | Low | 52 | Low | 98 Ų | 98 | 110.1 Ų | 110.1 | 51% | 0.513 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.7 | -40 | 173.3 | -80.6 | 166.3 | 0 | 0 | 0 | 110.7 | T1382 E1383 L1389 E1390 | T1382-L1386 HydrophobicContact CG2-CD1 4.27Å; T1382-L1386 WeakPolarHBondContact O-CB 3.19Å; T1382-L1386 WeakPolarHBondContact O-CG 3.43Å; T1382-L1386 PolarHBondContact O-N 3.13Å; E1383-L1386 PolarHBondContact O-N 3.27Å; L1386-L1389 CarbonylContact O-C 3.52Å; L1386-L1389 PolarHBondContact O-N 3.43Å; L1386-E1390 VanDerWaalsContact O-CB 3.29Å; L1386-E1390 WeakPolarHBondContact O-CB 3.4Å; L1386-E1390 PolarHBondContact O-N 2.88Å |
| 1387 | A | 62.6 | Low | 52.2 | Low | 50 Ų | 50 | 110.6 Ų | 110.6 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.9 | -40.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1383 L1384 E1390 E1391 | E1383-A1387 VanDerWaalsContact O-CB 3.3Å; E1383-A1387 WeakPolarHBondContact O-CB 3.43Å; E1383-A1387 PolarHBondContact O-N 3.36Å; L1384-A1387 PolarHBondContact O-N 2.96Å; A1387-E1390 PolarHBondContact O-N 3.21Å; A1387-E1391 WeakPolarHBondContact O-CB 3.2Å; A1387-E1391 PolarHBondContact O-N 3.29Å |
| 1388 | F | 68.6 | Low | 51.7 | Low | 123 Ų | 123 | 110.1 Ų | 110.1 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.2 | -41.3 | 173.7 | 177.5 | -94 | 0 | 0 | 0 | 111.9 | L1384 L1385 E1391 E1392 | L1384-F1388 WeakPolarHBondContact O-CB 3.28Å; L1384-F1388 PolarHBondContact O-N 2.81Å; L1385-F1388 PolarHBondContact O-N 3.47Å; F1388-E1391 PolarHBondContact O-N 3.36Å; F1388-E1392 HydrophobicContact CE1-CB 4.44Å; F1388-E1392 WeakPolarHBondContact O-CB 3.47Å; F1388-E1392 PolarHBondContact O-N 3.42Å |
| 1389 | L | 61.6 | Low | 51.5 | Low | 77 Ų | 77 | 111.5 Ų | 111.5 | 40% | 0.403 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.8 | -34 | 176 | -74.2 | 168.3 | 0 | 0 | 0 | 111.2 | L1385 L1386 S1393 | L1385-L1389 HydrophobicContact CD1-CD1 4.47Å; L1385-L1389 HydrophobicContact CD2-CD1 4.47Å; L1385-L1389 HydrophobicContact CG-CD1 3.95Å; L1385-L1389 HydrophobicContact CG-CG 4.4Å; L1385-L1389 VanDerWaalsContact O-CB 3.22Å; L1385-L1389 WeakPolarHBondContact O-CB 3.42Å; L1385-L1389 WeakPolarHBondContact O-CG 3.27Å; L1385-L1389 PolarHBondContact O-N 3.05Å; L1386-L1389 CarbonylContact O-C 3.52Å; L1386-L1389 PolarHBondContact O-N 3.43Å; L1389-S1393 VanDerWaalsContact O-CA 3.3Å; L1389-S1393 WeakPolarHBondContact O-CA 3.33Å; L1389-S1393 WeakPolarHBondContact O-CB 2.98Å; L1389-S1393 PolarHBondContact O-N 3.31Å; L1389-S1393 PolarHBondContact O-OG 3.45Å |
| 1390 | E | 60 | Low | 51 | Low | 143 Ų | 143 | 116 Ų | 116 | 67% | 0.668 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.9 | -44.1 | 170.2 | -99.2 | -177 | 146.6 | 0 | 0 | 110.2 | L1386 A1387 S1394 | L1386-E1390 VanDerWaalsContact O-CB 3.29Å; L1386-E1390 WeakPolarHBondContact O-CB 3.4Å; L1386-E1390 PolarHBondContact O-N 2.88Å; A1387-E1390 PolarHBondContact O-N 3.21Å; E1390-S1394 PolarHBondContact O-N 3.11Å; E1390-S1394 VanDerWaalsContact O-N 3.15Å; E1390-S1394 PolarHBondContact O-OG 3.38Å |
| 1391 | E | 58.1 | Low | 50.2 | Low | 161 Ų | 161 | 119.2 Ų | 119.2 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.5 | -39 | 176.6 | -168.1 | 80.4 | -157.4 | 0 | 0 | 111.5 | A1387 F1388 | A1387-E1391 WeakPolarHBondContact O-CB 3.2Å; A1387-E1391 PolarHBondContact O-N 3.29Å; F1388-E1391 PolarHBondContact O-N 3.36Å |
| 1392 | E | 60.1 | Low | 49.5 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 65% | 0.65 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -90.6 | -30.2 | -178.2 | -147.4 | -151.4 | -168 | 0 | 0 | 114.1 | F1388 S1394 | F1388-E1392 HydrophobicContact CE1-CB 4.44Å; F1388-E1392 WeakPolarHBondContact O-CB 3.47Å; F1388-E1392 PolarHBondContact O-N 3.42Å; E1392-S1394 VanDerWaalsContact C-N 3.29Å |
| 1393 | S | 54.9 | Low | 48.1 | Very low | 86 Ų | 86 | 122.1 Ų | 122.1 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -85.6 | -2.4 | 177.2 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | L1389 P1395 | L1389-S1393 VanDerWaalsContact O-CA 3.3Å; L1389-S1393 WeakPolarHBondContact O-CA 3.33Å; L1389-S1393 WeakPolarHBondContact O-CB 2.98Å; L1389-S1393 PolarHBondContact O-N 3.31Å; L1389-S1393 PolarHBondContact O-OG 3.45Å; S1393-P1395 WeakPolarHBondContact O-CD 3.35Å |
| 1394 | S | 38.1 | Very low | 46.6 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -53.5 | 103.9 | 159.5 | -70.1 | 0 | 0 | 0 | 0 | 108.5 | E1390 E1392 R1396 | E1390-S1394 PolarHBondContact O-N 3.11Å; E1390-S1394 VanDerWaalsContact O-N 3.15Å; E1390-S1394 PolarHBondContact O-OG 3.38Å; E1392-S1394 VanDerWaalsContact C-N 3.29Å; S1394-R1396 PolarHBondContact O-N 3.41Å; S1394-R1396 VanDerWaalsContact O-N 3.14Å |
| 1395 | P | 44.9 | Very low | 45.4 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | trans | -65.9 | 122.1 | -160.1 | 22.8 | -30.9 | 0 | 0 | 0 | 110 | S1393 S1397 | S1393-P1395 WeakPolarHBondContact O-CD 3.35Å; P1395-S1397 PolarHBondContact O-N 3.4Å | ||
| 1396 | R | 33.6 | Very low | 43.8 | Very low | 247 Ų | 247 | 135.2 Ų | 135.2 | 93% | 0.932 | 69% | 0.687 | S | S | * | * | trans | -46.3 | 107.4 | 158.6 | -110.4 | 177.4 | 175.4 | -138.3 | 0.7 | 107.8 | S1394 | S1394-R1396 PolarHBondContact O-N 3.41Å; S1394-R1396 VanDerWaalsContact O-N 3.14Å | ||
| 1397 | S | 38.8 | Very low | 42.3 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -52.1 | 146.5 | 176.4 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | P1395 | P1395-S1397 PolarHBondContact O-N 3.4Š|
| 1398 | T | 30.6 | Very low | 40.8 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | trans | 88.5 | 80.1 | 164.8 | 68.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1399 | I | 34.3 | Very low | 38.9 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | trans | -124.3 | 99.1 | 137.9 | -62.7 | 179 | 0 | 0 | 0 | 107.1 | L1401 | I1399-L1401 HydrophobicContact CG2-CD1 4.03Å; I1399-L1401 HydrophobicContact CG2-CG 4.37Å; I1399-L1401 PolarHBondContact O-N 3.08Å | ||
| 1400 | K | 28.3 | Very low | 37.5 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -71.9 | 115.7 | 166.2 | -76.6 | -177.7 | 172.8 | -178 | 0 | 107.6 | ||||
| 1401 | L | 33.1 | Very low | 36.1 | Very low | 154 Ų | 154 | 146 Ų | 146 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | trans | -108.3 | 102.9 | 160.3 | -86.7 | 141.2 | 0 | 0 | 0 | 107.2 | I1399 | I1399-L1401 HydrophobicContact CG2-CD1 4.03Å; I1399-L1401 HydrophobicContact CG2-CG 4.37Å; I1399-L1401 PolarHBondContact O-N 3.08Å | ||
| 1402 | P | 33 | Very low | 34.7 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | trans | -69.4 | 136.5 | 164.5 | -10.3 | 27 | 0 | 0 | 0 | 108.7 | ||||
| 1403 | M | 26.6 | Very low | 33.1 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | 168.5 | 109.4 | 108.7 | -153.1 | 68.2 | -167.2 | 0 | 0 | 110 | Y1405 | M1403-Y1405 HydrophobicContact CB-CD2 4.44Å; M1403-Y1405 HydrophobicContact CE-CD2 4.2Å; M1403-Y1405 HydrophobicContact CE-CE1 4.42Å; M1403-Y1405 HydrophobicContact CE-CE2 3.26Å; M1403-Y1405 WeakPolarHBondContact CE-OH 3.45Å; M1403-Y1405 HydrophobicContact CG-CD2 3.42Å; M1403-Y1405 VanDerWaalsContact CG-CD2 3.42Å; M1403-Y1405 HydrophobicContact CG-CE2 3.32Å; M1403-Y1405 PolarHBondContact O-N 3.27Å; M1403-Y1405 HydrophobicContact SD-CE2 4.09Å | |||
| 1404 | D | 28.9 | Very low | 31.9 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -59.1 | 120.4 | 156.1 | -59.9 | -60.8 | 0 | 0 | 0 | 109.5 | ||||
| 1405 | Y | 31.3 | Very low | 31.4 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | trans | -156.9 | 79.7 | 152.5 | -77.4 | -64.5 | 0 | 0 | 0 | 108.3 | M1403 | M1403-Y1405 HydrophobicContact CB-CD2 4.44Å; M1403-Y1405 HydrophobicContact CE-CD2 4.2Å; M1403-Y1405 HydrophobicContact CE-CE1 4.42Å; M1403-Y1405 HydrophobicContact CE-CE2 3.26Å; M1403-Y1405 WeakPolarHBondContact CE-OH 3.45Å; M1403-Y1405 HydrophobicContact CG-CD2 3.42Å; M1403-Y1405 VanDerWaalsContact CG-CD2 3.42Å; M1403-Y1405 HydrophobicContact CG-CE2 3.32Å; M1403-Y1405 PolarHBondContact O-N 3.27Å; M1403-Y1405 HydrophobicContact SD-CE2 4.09Å | ||
| 1406 | Y | 30.5 | Very low | 30.6 | Very low | 232 Ų | 232 | 147 Ų | 147 | 91% | 0.91 | 78% | 0.778 | S | S | * | * | trans | -159.1 | 71.2 | 141.1 | -86 | -64 | 0 | 0 | 0 | 108.5 | ||||
| 1407 | T | 30.9 | Very low | 30.3 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -104.5 | 111.8 | 152.7 | 47.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1408 | P | 30.8 | Very low | 29.6 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -99.9 | 97.1 | 156.1 | 20.1 | -1.5 | 0 | 0 | 0 | 107.5 | ||||
| 1409 | D | 27.9 | Very low | 29.4 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -81.7 | 157.1 | 156.2 | -123.6 | -21.2 | 0 | 0 | 0 | 108.5 | ||||
| 1410 | M | 32.9 | Very low | 28.9 | Very low | 155 Ų | 155 | 149 Ų | 149 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 93.5 | 80.8 | 167 | -46.3 | -147.4 | 76 | 0 | 0 | 118.6 | ||||
| 1411 | V | 30.4 | Very low | 28.6 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 93% | 0.927 | 77% | 0.766 | S | S | * | * | -124.7 | 105.2 | 126 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1412 | S | 28 | Very low | 28.4 | Very low | 83 Ų | 83 | 144.5 Ų | 144.5 | 58% | 0.58 | 77% | 0.765 | S | S | * | * | trans | -84.8 | 149.3 | 167.4 | 41.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1413 | S | 27.1 | Very low | 28.2 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 89.3 | 104.8 | 160.2 | -53.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1414 | T | 31.1 | Very low | 28 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | 176.1 | 128.5 | 88.1 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1415 | N | 26.9 | Very low | 27.9 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -10.2 | 140.5 | 162.3 | -68.6 | -21.7 | 0 | 0 | 0 | 123.2 | ||||
| 1416 | N | 28.3 | Very low | 27.8 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 90.2 | 126.3 | 128.5 | -75 | -10.1 | 0 | 0 | 0 | 122.8 | |||||
| 1417 | S | 27.8 | Very low | 27.6 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 88.1 | 99.1 | 148.1 | -58.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1418 | R | 23.9 | Very low | 27.3 | Very low | 218 Ų | 218 | 139.4 Ų | 139.4 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | 154 | 127.9 | 105 | -178.2 | 169.2 | -100.4 | 178.2 | -4.4 | 112.7 | |||||
| 1419 | K | 25.2 | Very low | 27 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | 72.5 | 103.7 | 159.1 | -74.1 | 171.1 | -174.9 | -170.1 | 0 | 116.4 | ||||
| 1420 | Q | 23.4 | Very low | 26.9 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | 94.7 | 124 | 79.8 | -97.2 | -169 | 5 | 0 | 0 | 111.8 | |||||
| 1421 | V | 23.8 | Very low | 26.6 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | 73.3 | 102.4 | 136 | -180 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1422 | N | 27.3 | Very low | 26.6 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | 175.2 | 154.3 | 114.9 | -99.1 | -21.9 | 0 | 0 | 0 | 114.6 | |||||
| 1423 | T | 29.2 | Very low | 26.4 | Very low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | 75.4 | 83.5 | 164.1 | 65.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1424 | C | 23 | Very low | 26.5 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | trans | -58 | 132.7 | 139.6 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1425 | N | 26.3 | Very low | 26.2 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -107.4 | 99.5 | 159.4 | -81 | -13.7 | 0 | 0 | 0 | 107.2 | ||||
| 1426 | T | 29.3 | Very low | 26.3 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | trans | -67.7 | 120.9 | 167.5 | -23.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1427 | E | 25.3 | Very low | 26.2 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | 49 | 98.1 | 80.2 | -66 | -174.9 | -179.7 | 0 | 0 | 111 | |||||
| 1428 | D | 24.9 | Very low | 26.3 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | 73.1 | 140.4 | 92.1 | -89.7 | -32.3 | 0 | 0 | 0 | 114.1 | |||||
| 1429 | E | 25.9 | Very low | 26.5 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | 82.3 | 97.3 | 164.2 | -56.5 | -125.3 | 148.2 | 0 | 0 | 119.2 | Y1431 | E1429-Y1431 WeakPolarHBondContact OE1-CE2 2.96Å; E1429-Y1431 VanDerWaalsContact OE2-CE2 3.31Å; E1429-Y1431 WeakPolarHBondContact OE2-CE2 3.48Å | ||
| 1430 | K | 25.7 | Very low | 26.6 | Very low | 212 Ų | 212 | 140.9 Ų | 140.9 | 92% | 0.922 | 77% | 0.771 | S | S | * | * | trans | -137.1 | 108.9 | 130.7 | -163.6 | 165.7 | -175.4 | 172.9 | 0 | 111.2 | ||||
| 1431 | Y | 26.3 | Very low | 26.9 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | -55.9 | 153.7 | 167.4 | -84.6 | -96.8 | 0 | 0 | 0 | 113.2 | E1429 | E1429-Y1431 WeakPolarHBondContact OE1-CE2 2.96Å; E1429-Y1431 VanDerWaalsContact OE2-CE2 3.31Å; E1429-Y1431 WeakPolarHBondContact OE2-CE2 3.48Å | ||
| 1432 | P | 30.2 | Very low | 27 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -88.3 | -179.5 | 170.1 | 37.2 | -31.9 | 0 | 0 | 0 | 111.6 | ||||
| 1433 | V | 23.8 | Very low | 27 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | 94.4 | 124.5 | 176.1 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1434 | S | 28.5 | Very low | 26.9 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | -158.5 | 146.7 | 31.9 | 28.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1435 | K | 24.9 | Very low | 27 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -51.8 | 132.1 | 157.5 | -69.6 | 162.6 | 169.6 | 173.4 | 0 | 111 | ||||
| 1436 | I | 28.6 | Very low | 27.5 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -123.9 | 126.3 | 145.3 | -64 | -179.2 | 0 | 0 | 0 | 108.3 | T1438 | I1436-T1438 PolarHBondContact O-N 2.99Š| ||
| 1437 | I | 27.9 | Very low | 27.6 | Very low | 154 Ų | 154 | 140 Ų | 140 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -55.7 | 116.1 | -175.7 | -68.8 | 156.5 | 0 | 0 | 0 | 110.8 | G1439 | I1437-G1439 PolarHBondContact O-N 2.98Š| ||
| 1438 | T | 29.9 | Very low | 27.7 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -74.5 | 98.3 | 159.8 | 48 | 0 | 0 | 0 | 0 | 108 | I1436 S1440 | I1436-T1438 PolarHBondContact O-N 2.99Å; T1438-S1440 PolarHBondContact O-N 3.44Å | ||
| 1439 | G | 27.7 | Very low | 27.8 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -71.4 | 106.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I1437 | I1437-G1439 PolarHBondContact O-N 2.98Š| ||
| 1440 | S | 26.7 | Very low | 28 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -71 | 117 | 167.5 | 44 | 0 | 0 | 0 | 0 | 110.6 | T1438 | T1438-S1440 PolarHBondContact O-N 3.44Š| ||
| 1441 | T | 28.9 | Very low | 28.3 | Very low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -144.6 | 99.6 | 153.4 | 39.9 | 0 | 0 | 0 | 0 | 109.4 | L1443 | T1441-L1443 PolarHBondContact O-N 3.46Š| ||
| 1442 | S | 25.9 | Very low | 28.6 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | trans | -56.5 | 119.7 | 153.4 | -57.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1443 | L | 27.9 | Very low | 28.5 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -128.5 | 107.4 | 155 | -101.9 | 102.7 | 0 | 0 | 0 | 108.7 | T1441 | T1441-L1443 PolarHBondContact O-N 3.46Š| ||
| 1444 | S | 26.3 | Very low | 28.9 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -66.5 | 142.5 | 168.6 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1445 | N | 26.3 | Very low | 29.1 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 65.3 | 106.8 | 147 | -59.4 | -18.8 | 0 | 0 | 0 | 118.7 | ||||
| 1446 | P | 35.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -76.4 | 133.4 | 152.3 | 26.6 | -19.8 | 0 | 0 | 0 | 110.2 | ||||
| 1447 | P | 32 | Very low | 29.8 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -84.8 | 158.5 | 177.9 | 34.2 | -32.6 | 0 | 0 | 0 | 112.6 | ||||
| 1448 | K | 26.8 | Very low | 30.2 | Very low | 194 Ų | 194 | 130.2 Ų | 130.2 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -37.6 | 160.8 | 169.1 | -74.9 | 168.9 | 168.5 | 171.1 | 0 | 117.2 | ||||
| 1449 | S | 27.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | 81.1 | 125.4 | 145.5 | 86 | 0 | 0 | 0 | 0 | 113 | ||||
| 1450 | D | 30.2 | Very low | 30.8 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | 178.3 | 159.9 | 50.3 | -94.2 | -46.8 | 0 | 0 | 0 | 109 | |||||
| 1451 | N | 31.3 | Very low | 31.2 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | 91.3 | 127.9 | 150.9 | -61.5 | -20.9 | 0 | 0 | 0 | 121.3 | ||||
| 1452 | D | 33.7 | Very low | 31.4 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | 88.2 | 76.8 | 151.2 | -55.9 | -21.4 | 0 | 0 | 0 | 118.5 | N1454 | D1452-N1454 PolarHBondContact O-N 3.43Š| ||
| 1453 | S | 28.6 | Very low | 31.9 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -35.9 | 114 | 133.1 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1454 | N | 32.7 | Very low | 32.3 | Very low | 153 Ų | 153 | 149 Ų | 149 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -162.4 | 142.1 | 142.7 | -105.5 | -41.4 | 0 | 0 | 0 | 112.2 | D1452 | D1452-N1454 PolarHBondContact O-N 3.43Š| ||
| 1455 | L | 31.9 | Very low | 32.8 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | 73.2 | 87.8 | 164.1 | -105.1 | 64.9 | 0 | 0 | 0 | 118.5 | D1457 | L1455-D1457 PolarHBondContact O-N 3.33Å; L1455-D1457 VanDerWaalsContact O-N 3.11Å | ||
| 1456 | S | 32.9 | Very low | 33.1 | Very low | 93 Ų | 93 | 156.4 Ų | 156.4 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | trans | -47 | 100.3 | 140.6 | -177 | 0 | 0 | 0 | 0 | 111 | H1458 | S1456-H1458 PolarHBondContact O-N 2.98Å; S1456-H1458 PolarHBondContact OG-CD2 2.91Å; S1456-H1458 VanDerWaalsContact OG-CD2 3.3Å | ||
| 1457 | D | 35.7 | Very low | 33 | Very low | 156 Ų | 156 | 157.9 Ų | 157.9 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -82.4 | 71.5 | 158.2 | -100.3 | -21 | 0 | 0 | 0 | 108.3 | L1455 K1459 | L1455-D1457 PolarHBondContact O-N 3.33Å; L1455-D1457 VanDerWaalsContact O-N 3.11Å; D1457-K1459 PolarHBondContact O-N 3.42Å; D1457-K1459 VanDerWaalsContact O-N 3.13Å | ||
| 1458 | H | 34.7 | Very low | 33 | Very low | 166 Ų | 166 | 159.7 Ų | 159.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -73.9 | 92.6 | 161.1 | -100.2 | -49.8 | 0 | 0 | 0 | 108.1 | S1456 P1460 | S1456-H1458 PolarHBondContact O-N 2.98Å; S1456-H1458 PolarHBondContact OG-CD2 2.91Å; S1456-H1458 VanDerWaalsContact OG-CD2 3.3Å; H1458-P1460 WeakPolarHBondContact O-CD 3.14Å | ||
| 1459 | K | 33.8 | Very low | 33.4 | Very low | 192 Ų | 192 | 157.6 Ų | 157.6 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 114.2 | 160.7 | -121.1 | 175.2 | -177 | 174.9 | 0 | 108.1 | D1457 | D1457-K1459 PolarHBondContact O-N 3.42Å; D1457-K1459 VanDerWaalsContact O-N 3.13Å | ||
| 1460 | P | 36.7 | Very low | 33.8 | Very low | 104 Ų | 104 | 161.5 Ų | 161.5 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | trans | -80 | 128.2 | -176.3 | 29.4 | -27.9 | 0 | 0 | 0 | 110.5 | H1458 F1462 | H1458-P1460 WeakPolarHBondContact O-CD 3.14Å; P1460-F1462 PolarHBondContact O-N 3.42Å | ||
| 1461 | Y | 35.6 | Very low | 34 | Very low | 221 Ų | 221 | 163.6 Ų | 163.6 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -68.7 | 109.6 | 165.2 | -80.9 | -96.7 | 0 | 0 | 0 | 108.2 | Y1463 | Y1461-Y1463 PolarHBondContact O-N 2.99Š| ||
| 1462 | F | 34 | Very low | 34.2 | Very low | 200 Ų | 200 | 165.4 Ų | 165.4 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | trans | -72.7 | 106.9 | 169.9 | -111 | -92.4 | 0 | 0 | 0 | 108.5 | P1460 M1464 | P1460-F1462 PolarHBondContact O-N 3.42Å; F1462-M1464 PolarHBondContact O-N 2.93Å | ||
| 1463 | Y | 34.9 | Very low | 34.2 | Very low | 215 Ų | 215 | 167.5 Ų | 167.5 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -64.8 | 113.7 | 159.7 | -88.8 | -101.2 | 0 | 0 | 0 | 108.1 | Y1461 | Y1461-Y1463 PolarHBondContact O-N 2.99Š| ||
| 1464 | M | 38.1 | Very low | 34.7 | Very low | 185 Ų | 185 | 172.3 Ų | 172.3 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | trans | -80 | 117.4 | 152.9 | -90.5 | -165.2 | -178.3 | 0 | 0 | 107 | F1462 | F1462-M1464 PolarHBondContact O-N 2.93Š| ||
| 1465 | L | 35.4 | Very low | 34.9 | Very low | 240 Ų | 240 | 174.1 Ų | 174.1 | 100% | 1.257 | 84% | 0.842 | S | S | * | * | trans | -64.9 | 0 | 145.9 | -107.2 | 118 | 0 | 0 | 0 | 108.9 |
Retrieved 1,465 of 1,465 residues in 252.4 ms
(Link to these results)