| 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 | 71.2 | Confident | 84.3 | Confident | 201 Ų | 201 | 113.9 Ų | 113.9 | 99% | 0.99 | 60% | 0.596 | S | S | * | * | 0 | -53.4 | 0 | -80.1 | -151.5 | -67.7 | 0 | 0 | 112 | Q3 M4 T5 | M1-Q3 PolarHBondContact O-N 3.39Å; M1-M4 PolarHBondContact O-N 3.01Å; M1-T5 PolarHBondContact O-N 2.77Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 3.39Å | |||
| 2 | E | 80.6 | Confident | 84.9 | Confident | 166 Ų | 166 | 115.3 Ų | 115.3 | 78% | 0.776 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -56.4 | -44.4 | -175.9 | -135.3 | 167 | -165.7 | 0 | 0 | 114.1 | M4 T5 I6 | E2-M4 PolarHBondContact O-N 2.92Å; E2-T5 PolarHBondContact O-N 3.13Å; E2-I6 WeakPolarHBondContact O-CG1 3.25Å; E2-I6 PolarHBondContact O-N 2.72Å; E2-I6 VanDerWaalsContact O-N 3.08Å |
| 3 | Q | 81.8 | Confident | 85.4 | Confident | 144 Ų | 144 | 111.7 Ų | 111.7 | 67% | 0.673 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.7 | -39.4 | 178.7 | -166.8 | 164.6 | 0.4 | 0 | 0 | 113.3 | M1 I6 E7 | M1-Q3 PolarHBondContact O-N 3.39Å; Q3-I6 PolarHBondContact O-N 2.89Å; Q3-E7 WeakPolarHBondContact O-CG 3.41Å; Q3-E7 PolarHBondContact O-N 2.84Å |
| 4 | M | 82.4 | Confident | 86 | Confident | 114 Ų | 114 | 109.4 Ų | 109.4 | 56% | 0.562 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.2 | -35.5 | 177.2 | -164.9 | -179.7 | 72.4 | 0 | 0 | 111.8 | M1 E2 E7 L8 | M1-M4 PolarHBondContact O-N 3.01Å; E2-M4 PolarHBondContact O-N 2.92Å; M4-E7 PolarHBondContact O-N 3.18Å; M4-L8 HydrophobicContact CG-CD1 4.46Å; M4-L8 WeakPolarHBondContact O-CB 3.45Å; M4-L8 WeakPolarHBondContact O-CG 3.34Å; M4-L8 PolarHBondContact O-N 3.38Å |
| 5 | T | 84 | Confident | 86.4 | Confident | 91 Ų | 91 | 106.4 Ų | 106.4 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.4 | -40.2 | 173.7 | -51 | 0 | 0 | 0 | 0 | 111.4 | M1 E2 S9 | M1-T5 PolarHBondContact O-N 2.77Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 3.39Å; E2-T5 PolarHBondContact O-N 3.13Å; T5-S9 VanDerWaalsContact O-CB 3.29Å; T5-S9 WeakPolarHBondContact O-CB 3.16Å; T5-S9 PolarHBondContact O-N 3.42Å |
| 6 | I | 86.3 | Confident | 86.8 | Confident | 106 Ų | 106 | 104.8 Ų | 104.8 | 54% | 0.544 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.4 | -50.2 | 175.5 | -66 | 166.7 | 0 | 0 | 0 | 109.9 | E2 Q3 L8 S9 T10 | E2-I6 WeakPolarHBondContact O-CG1 3.25Å; E2-I6 PolarHBondContact O-N 2.72Å; E2-I6 VanDerWaalsContact O-N 3.08Å; Q3-I6 PolarHBondContact O-N 2.89Å; I6-L8 PolarHBondContact O-N 3.13Å; I6-S9 WeakPolarHBondContact O-CB 3.32Å; I6-S9 PolarHBondContact O-N 2.88Å; I6-S9 VanDerWaalsContact O-N 3.16Å; I6-T10 PolarHBondContact O-N 3.43Å; I6-T10 PolarHBondContact O-OG1 3.26Å |
| 7 | E | 86.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 104.2 Ų | 104.2 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | -179.7 | -74 | 171.3 | -170.2 | 0 | 0 | 112.8 | Q3 M4 T10 T11 | Q3-E7 WeakPolarHBondContact O-CG 3.41Å; Q3-E7 PolarHBondContact O-N 2.84Å; M4-E7 PolarHBondContact O-N 3.18Å; E7-T10 PolarHBondContact O-N 2.72Å; E7-T11 WeakPolarHBondContact O-CB 3.36Å; E7-T11 PolarHBondContact O-N 3.37Å; E7-T11 PolarHBondContact O-OG1 2.85Å |
| 8 | L | 84.6 | Confident | 87.7 | Confident | 108 Ų | 108 | 104.5 Ų | 104.5 | 57% | 0.565 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 174.1 | -77.9 | 169.9 | 0 | 0 | 0 | 111.7 | M4 I6 T11 Q12 | M4-L8 HydrophobicContact CG-CD1 4.46Å; M4-L8 WeakPolarHBondContact O-CB 3.45Å; M4-L8 WeakPolarHBondContact O-CG 3.34Å; M4-L8 PolarHBondContact O-N 3.38Å; I6-L8 PolarHBondContact O-N 3.13Å; L8-T11 PolarHBondContact O-N 2.76Å; L8-Q12 VanDerWaalsContact O-CB 3.28Å; L8-Q12 WeakPolarHBondContact O-CB 3.39Å; L8-Q12 PolarHBondContact O-N 3.28Å |
| 9 | S | 89.6 | Confident | 88.1 | Confident | 75 Ų | 75 | 106.2 Ų | 106.2 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -45.2 | 177 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | T5 I6 Q12 S13 | T5-S9 VanDerWaalsContact O-CB 3.29Å; T5-S9 WeakPolarHBondContact O-CB 3.16Å; T5-S9 PolarHBondContact O-N 3.42Å; I6-S9 WeakPolarHBondContact O-CB 3.32Å; I6-S9 PolarHBondContact O-N 2.88Å; I6-S9 VanDerWaalsContact O-N 3.16Å; S9-Q12 PolarHBondContact O-N 2.99Å; S9-S13 WeakPolarHBondContact O-CB 3.32Å; S9-S13 PolarHBondContact O-N 2.95Å |
| 10 | T | 89.8 | Confident | 88.4 | Confident | 70 Ų | 70 | 107.7 Ų | 107.7 | 43% | 0.429 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.8 | -43.7 | 175.9 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | I6 E7 Q12 S13 N14 | I6-T10 PolarHBondContact O-N 3.43Å; I6-T10 PolarHBondContact O-OG1 3.26Å; E7-T10 PolarHBondContact O-N 2.72Å; T10-Q12 VanDerWaalsContact C-N 3.35Å; T10-Q12 PolarHBondContact O-N 3.44Å; T10-S13 PolarHBondContact O-N 2.99Å; T10-N14 WeakPolarHBondContact O-CB 3.47Å; T10-N14 PolarHBondContact O-N 3.49Å; T10-N14 PolarHBondContact O-OD1 2.78Å |
| 11 | T | 90.7 | Very high | 88.7 | Confident | 68 Ų | 68 | 107.1 Ų | 107.1 | 42% | 0.417 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -39.9 | 178 | -51 | 0 | 0 | 0 | 0 | 111.6 | E7 L8 N14 T15 | E7-T11 WeakPolarHBondContact O-CB 3.36Å; E7-T11 PolarHBondContact O-N 3.37Å; E7-T11 PolarHBondContact O-OG1 2.85Å; L8-T11 PolarHBondContact O-N 2.76Å; T11-N14 PolarHBondContact O-N 3.45Å; T11-T15 WeakPolarHBondContact O-CB 3.42Å; T11-T15 PolarHBondContact O-N 2.87Å; T11-T15 PolarHBondContact O-OG1 3Å |
| 12 | Q | 91.2 | Very high | 89.8 | Confident | 130 Ų | 130 | 102 Ų | 102 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.3 | -40.7 | 176.9 | -170.3 | 169.3 | 2 | 0 | 0 | 111.6 | L8 S9 T10 T15 N16 | L8-Q12 VanDerWaalsContact O-CB 3.28Å; L8-Q12 WeakPolarHBondContact O-CB 3.39Å; L8-Q12 PolarHBondContact O-N 3.28Å; S9-Q12 PolarHBondContact O-N 2.99Å; T10-Q12 VanDerWaalsContact C-N 3.35Å; T10-Q12 PolarHBondContact O-N 3.44Å; Q12-T15 PolarHBondContact O-N 3.42Å; Q12-N16 VanDerWaalsContact O-CG 3.28Å; Q12-N16 PolarHBondContact O-N 2.89Å; Q12-N16 PolarHBondContact O-ND2 3.44Å |
| 13 | S | 91.7 | Very high | 90.4 | Very high | 69 Ų | 69 | 98.7 Ų | 98.7 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 172.3 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | S9 T10 T15 N16 Q17 | S9-S13 WeakPolarHBondContact O-CB 3.32Å; S9-S13 PolarHBondContact O-N 2.95Å; T10-S13 PolarHBondContact O-N 2.99Å; S13-T15 VanDerWaalsContact C-N 3.32Å; S13-T15 PolarHBondContact O-N 3.17Å; S13-N16 PolarHBondContact O-N 3.18Å; S13-N16 VanDerWaalsContact O-N 3.17Å; S13-Q17 PolarHBondContact O-N 3.18Å |
| 14 | N | 93.1 | Very high | 91.1 | Very high | 80 Ų | 80 | 97.1 Ų | 97.1 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 178.6 | -69.2 | -7.5 | 0 | 0 | 0 | 111.7 | T10 T11 N16 Q17 I18 | T10-N14 WeakPolarHBondContact O-CB 3.47Å; T10-N14 PolarHBondContact O-N 3.49Å; T10-N14 PolarHBondContact O-OD1 2.78Å; T11-N14 PolarHBondContact O-N 3.45Å; N14-N16 VanDerWaalsContact C-N 3.34Å; N14-N16 PolarHBondContact O-N 3.45Å; N14-Q17 PolarHBondContact O-N 2.81Å; N14-I18 VanDerWaalsContact O-CG1 3.31Å; N14-I18 WeakPolarHBondContact O-CG1 3.49Å; N14-I18 PolarHBondContact O-N 2.75Å |
| 15 | T | 92.5 | Very high | 91.6 | Very high | 64 Ų | 64 | 95.1 Ų | 95.1 | 39% | 0.393 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | T11 Q12 S13 K19 | T11-T15 WeakPolarHBondContact O-CB 3.42Å; T11-T15 PolarHBondContact O-N 2.87Å; T11-T15 PolarHBondContact O-OG1 3Å; Q12-T15 PolarHBondContact O-N 3.42Å; S13-T15 VanDerWaalsContact C-N 3.32Å; S13-T15 PolarHBondContact O-N 3.17Å; T15-K19 WeakPolarHBondContact O-CG 3.47Å; T15-K19 PolarHBondContact O-N 3.39Å |
| 16 | N | 93 | Very high | 92.2 | Very high | 80 Ų | 80 | 96.6 Ų | 96.6 | 43% | 0.428 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 176.9 | -72.8 | -20.6 | 0 | 0 | 0 | 111.8 | Q12 S13 N14 K19 Q20 | Q12-N16 VanDerWaalsContact O-CG 3.28Å; Q12-N16 PolarHBondContact O-N 2.89Å; Q12-N16 PolarHBondContact O-ND2 3.44Å; S13-N16 PolarHBondContact O-N 3.18Å; S13-N16 VanDerWaalsContact O-N 3.17Å; N14-N16 VanDerWaalsContact C-N 3.34Å; N14-N16 PolarHBondContact O-N 3.45Å; N16-K19 PolarHBondContact O-N 3.12Å; N16-Q20 WeakPolarHBondContact O-CG 3.44Å; N16-Q20 PolarHBondContact O-N 2.89Å |
| 17 | Q | 94.4 | Very high | 92.6 | Very high | 96 Ų | 96 | 96 Ų | 96 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 174.9 | -174.9 | -179.9 | -14.8 | 0 | 0 | 111.5 | S13 N14 K19 Q20 E21 | S13-Q17 PolarHBondContact O-N 3.18Å; N14-Q17 PolarHBondContact O-N 2.81Å; Q17-K19 VanDerWaalsContact C-N 3.28Å; Q17-K19 PolarHBondContact O-N 3.28Å; Q17-Q20 WeakPolarHBondContact O-CB 3.43Å; Q17-Q20 PolarHBondContact O-N 3.37Å; Q17-E21 PolarHBondContact NE2-OE1 3Å; Q17-E21 PolarHBondContact O-N 2.93Å |
| 18 | I | 94.9 | Very high | 93 | Very high | 109 Ų | 109 | 96.5 Ų | 96.5 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.6 | -39.5 | 177.2 | -68.5 | 167 | 0 | 0 | 0 | 111.1 | N14 Q20 E21 L22 | N14-I18 VanDerWaalsContact O-CG1 3.31Å; N14-I18 WeakPolarHBondContact O-CG1 3.49Å; N14-I18 PolarHBondContact O-N 2.75Å; I18-Q20 PolarHBondContact O-N 3.47Å; I18-E21 PolarHBondContact O-N 3.18Å; I18-L22 VanDerWaalsContact O-CB 3.3Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 PolarHBondContact O-N 3.46Å |
| 19 | K | 94.3 | Very high | 93.5 | Very high | 137 Ų | 137 | 95.3 Ų | 95.3 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 175.1 | -77.3 | 178 | -179.8 | 180 | 0 | 112.4 | T15 N16 Q17 Q23 | T15-K19 WeakPolarHBondContact O-CG 3.47Å; T15-K19 PolarHBondContact O-N 3.39Å; N16-K19 PolarHBondContact O-N 3.12Å; Q17-K19 VanDerWaalsContact C-N 3.28Å; Q17-K19 PolarHBondContact O-N 3.28Å; K19-Q23 WeakPolarHBondContact O-CB 3.25Å; K19-Q23 PolarHBondContact O-N 3.2Å |
| 20 | Q | 94.2 | Very high | 93.8 | Very high | 136 Ų | 136 | 98.7 Ų | 98.7 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | 175.4 | -73.5 | 178.2 | -3.2 | 0 | 0 | 111.4 | N16 Q17 I18 L22 Q23 L24 | N16-Q20 WeakPolarHBondContact O-CG 3.44Å; N16-Q20 PolarHBondContact O-N 2.89Å; Q17-Q20 WeakPolarHBondContact O-CB 3.43Å; Q17-Q20 PolarHBondContact O-N 3.37Å; I18-Q20 PolarHBondContact O-N 3.47Å; Q20-L22 PolarHBondContact O-N 3.3Å; Q20-Q23 PolarHBondContact O-N 2.79Å; Q20-L24 WeakPolarHBondContact O-CG 3.35Å; Q20-L24 PolarHBondContact O-N 2.85Å |
| 21 | E | 94.5 | Very high | 94.1 | Very high | 96 Ų | 96 | 99.9 Ų | 99.9 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 177 | -71.1 | 174.7 | -170.1 | 0 | 0 | 112.2 | Q17 I18 Q23 L24 T25 | Q17-E21 PolarHBondContact NE2-OE1 3Å; Q17-E21 PolarHBondContact O-N 2.93Å; I18-E21 PolarHBondContact O-N 3.18Å; E21-Q23 VanDerWaalsContact C-N 3.35Å; E21-L24 PolarHBondContact O-N 3.23Å; E21-T25 WeakPolarHBondContact O-CB 3.27Å; E21-T25 PolarHBondContact O-N 2.92Å; E21-T25 PolarHBondContact O-OG1 3.29Å |
| 22 | L | 94.4 | Very high | 94.3 | Very high | 94 Ų | 94 | 100 Ų | 100 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 174.7 | -175.7 | 66.6 | 0 | 0 | 0 | 111.6 | I18 Q20 T25 K26 | I18-L22 VanDerWaalsContact O-CB 3.3Å; I18-L22 WeakPolarHBondContact O-CB 3.42Å; I18-L22 PolarHBondContact O-N 3.46Å; Q20-L22 PolarHBondContact O-N 3.3Å; L22-T25 PolarHBondContact O-N 2.97Å; L22-K26 WeakPolarHBondContact O-CG 3.3Å; L22-K26 PolarHBondContact O-N 2.7Å |
| 23 | Q | 94.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 99.9 Ų | 99.9 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 176.6 | -176.9 | 62 | 21.4 | 0 | 0 | 111.4 | K19 Q20 E21 T25 K26 E27 | K19-Q23 WeakPolarHBondContact O-CB 3.25Å; K19-Q23 PolarHBondContact O-N 3.2Å; Q20-Q23 PolarHBondContact O-N 2.79Å; E21-Q23 VanDerWaalsContact C-N 3.35Å; Q23-T25 VanDerWaalsContact C-N 3.29Å; Q23-T25 PolarHBondContact O-N 3.08Å; Q23-K26 WeakPolarHBondContact O-CB 3.46Å; Q23-K26 PolarHBondContact O-N 3.31Å; Q23-E27 PolarHBondContact NE2-OE1 3.36Å; Q23-E27 WeakPolarHBondContact O-CG 3.32Å; Q23-E27 PolarHBondContact O-N 3.06Å |
| 24 | L | 95.2 | Very high | 94.7 | Very high | 110 Ų | 110 | 100 Ų | 100 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.7 | -39.8 | 174.4 | -72.4 | 170.8 | 0 | 0 | 0 | 111.8 | Q20 E21 E27 R28 | Q20-L24 WeakPolarHBondContact O-CG 3.35Å; Q20-L24 PolarHBondContact O-N 2.85Å; E21-L24 PolarHBondContact O-N 3.23Å; L24-E27 PolarHBondContact O-N 3.36Å; L24-R28 VanDerWaalsContact O-CB 3.27Å; L24-R28 WeakPolarHBondContact O-CB 3.36Å; L24-R28 PolarHBondContact O-N 2.95Å |
| 25 | T | 94.8 | Very high | 94.9 | Very high | 72 Ų | 72 | 101.5 Ų | 101.5 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 177 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | E21 L22 Q23 R28 N29 | E21-T25 WeakPolarHBondContact O-CB 3.27Å; E21-T25 PolarHBondContact O-N 2.92Å; E21-T25 PolarHBondContact O-OG1 3.29Å; L22-T25 PolarHBondContact O-N 2.97Å; Q23-T25 VanDerWaalsContact C-N 3.29Å; Q23-T25 PolarHBondContact O-N 3.08Å; T25-R28 PolarHBondContact O-N 3.41Å; T25-N29 WeakPolarHBondContact O-CB 3.36Å; T25-N29 VanDerWaalsContact O-CG 3.29Å; T25-N29 PolarHBondContact O-N 3.09Å |
| 26 | K | 95.3 | Very high | 95 | Very high | 122 Ų | 122 | 102.9 Ų | 102.9 | 53% | 0.53 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 174.8 | -77.4 | 177.9 | 178.3 | -177 | 0 | 112 | L22 Q23 R28 N29 K30 | L22-K26 WeakPolarHBondContact O-CG 3.3Å; L22-K26 PolarHBondContact O-N 2.7Å; Q23-K26 WeakPolarHBondContact O-CB 3.46Å; Q23-K26 PolarHBondContact O-N 3.31Å; K26-R28 VanDerWaalsContact C-N 3.34Å; K26-N29 PolarHBondContact O-N 3.45Å; K26-K30 PolarHBondContact O-N 3.48Å |
| 27 | E | 95 | Very high | 95.1 | Very high | 95 Ų | 95 | 103.4 Ų | 103.4 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.5 | -73.8 | 168.6 | -166.8 | 0 | 0 | 110.8 | Q23 L24 N29 K30 E31 | Q23-E27 PolarHBondContact NE2-OE1 3.36Å; Q23-E27 WeakPolarHBondContact O-CG 3.32Å; Q23-E27 PolarHBondContact O-N 3.06Å; L24-E27 PolarHBondContact O-N 3.36Å; E27-N29 PolarHBondContact O-N 3.36Å; E27-K30 WeakPolarHBondContact O-CB 3.5Å; E27-K30 PolarHBondContact O-N 3.38Å; E27-E31 WeakPolarHBondContact O-CG 3.23Å; E27-E31 PolarHBondContact O-N 3.12Å |
| 28 | R | 95.6 | Very high | 95.2 | Very high | 119 Ų | 119 | 103.5 Ų | 103.5 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 176.6 | -176.5 | 55 | 176.1 | 176.7 | -4.3 | 113.1 | L24 T25 K26 E31 L32 | L24-R28 VanDerWaalsContact O-CB 3.27Å; L24-R28 WeakPolarHBondContact O-CB 3.36Å; L24-R28 PolarHBondContact O-N 2.95Å; T25-R28 PolarHBondContact O-N 3.41Å; K26-R28 VanDerWaalsContact C-N 3.34Å; R28-E31 IonicContact CZ-OE2 3.46Å; R28-E31 IonicContact NH1-OE2 3.83Å; R28-E31 PolarHBondContact NH1-OE2 2.87Å; R28-E31 PolarHBondContact O-N 3.46Å; R28-L32 HydrophobicContact CG-CD1 4.36Å; R28-L32 WeakPolarHBondContact O-CG 3.42Å; R28-L32 PolarHBondContact O-N 3.41Å |
| 29 | N | 95.1 | Very high | 95.3 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 175.9 | -77.3 | -12.6 | 0 | 0 | 0 | 111.2 | T25 K26 E27 E31 L32 E33 | T25-N29 WeakPolarHBondContact O-CB 3.36Å; T25-N29 VanDerWaalsContact O-CG 3.29Å; T25-N29 PolarHBondContact O-N 3.09Å; K26-N29 PolarHBondContact O-N 3.45Å; E27-N29 PolarHBondContact O-N 3.36Å; N29-E31 VanDerWaalsContact C-N 3.34Å; N29-E31 PolarHBondContact O-N 3Å; N29-L32 PolarHBondContact O-N 2.86Å; N29-L32 VanDerWaalsContact O-N 3.15Å; N29-E33 WeakPolarHBondContact O-CG 3.44Å; N29-E33 PolarHBondContact O-N 2.83Å |
| 30 | K | 96 | Very high | 95.4 | Very high | 146 Ų | 146 | 100.6 Ų | 100.6 | 64% | 0.635 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 175.2 | -172.1 | 177.6 | 177.2 | -178.2 | 0 | 112 | K26 E27 L32 E33 T34 | K26-K30 PolarHBondContact O-N 3.48Å; E27-K30 WeakPolarHBondContact O-CB 3.5Å; E27-K30 PolarHBondContact O-N 3.38Å; K30-L32 VanDerWaalsContact C-N 3.33Å; K30-L32 PolarHBondContact O-N 3.34Å; K30-E33 PolarHBondContact O-N 3.3Å; K30-T34 WeakPolarHBondContact O-CG2 3.35Å; K30-T34 PolarHBondContact O-N 2.9Å; K30-T34 PolarHBondContact O-OG1 3.37Å |
| 31 | E | 95.4 | Very high | 95.5 | Very high | 95 Ų | 95 | 98.6 Ų | 98.6 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 173.6 | -72 | 178.7 | 178.3 | 0 | 0 | 113.2 | E27 R28 N29 T34 K35 | E27-E31 WeakPolarHBondContact O-CG 3.23Å; E27-E31 PolarHBondContact O-N 3.12Å; R28-E31 IonicContact CZ-OE2 3.46Å; R28-E31 IonicContact NH1-OE2 3.83Å; R28-E31 PolarHBondContact NH1-OE2 2.87Å; R28-E31 PolarHBondContact O-N 3.46Å; N29-E31 VanDerWaalsContact C-N 3.34Å; N29-E31 PolarHBondContact O-N 3Å; E31-T34 WeakPolarHBondContact CA-OG1 3.28Å; E31-T34 PolarHBondContact O-OG1 3.37Å; E31-K35 WeakPolarHBondContact O-CB 3.47Å; E31-K35 VanDerWaalsContact O-CG 3.29Å; E31-K35 WeakPolarHBondContact O-CG 3.43Å; E31-K35 PolarHBondContact O-N 2.93Å |
| 32 | L | 95.3 | Very high | 95.5 | Very high | 70 Ų | 70 | 98.2 Ų | 98.2 | 37% | 0.366 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.9 | -41.3 | 177.7 | -73.7 | 171.2 | 0 | 0 | 0 | 111 | R28 N29 K30 T34 K35 I36 | R28-L32 HydrophobicContact CG-CD1 4.36Å; R28-L32 WeakPolarHBondContact O-CG 3.42Å; R28-L32 PolarHBondContact O-N 3.41Å; N29-L32 PolarHBondContact O-N 2.86Å; N29-L32 VanDerWaalsContact O-N 3.15Å; K30-L32 VanDerWaalsContact C-N 3.33Å; K30-L32 PolarHBondContact O-N 3.34Å; L32-T34 PolarHBondContact O-N 3.4Å; L32-K35 PolarHBondContact O-N 3.01Å; L32-I36 WeakPolarHBondContact O-CB 3.46Å; L32-I36 VanDerWaalsContact O-CG1 3.24Å; L32-I36 WeakPolarHBondContact O-CG1 3.39Å; L32-I36 PolarHBondContact O-N 3.37Å |
| 33 | E | 95.9 | Very high | 95.6 | Very high | 128 Ų | 128 | 97.5 Ų | 97.5 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60 | -43.8 | 174.7 | -75.5 | 173 | -174.1 | 0 | 0 | 112 | N29 K30 I36 T37 | N29-E33 WeakPolarHBondContact O-CG 3.44Å; N29-E33 PolarHBondContact O-N 2.83Å; K30-E33 PolarHBondContact O-N 3.3Å; E33-I36 PolarHBondContact O-N 2.99Å; E33-T37 WeakPolarHBondContact O-CB 3.41Å; E33-T37 PolarHBondContact O-N 3.28Å; E33-T37 PolarHBondContact O-OG1 3.37Å |
| 34 | T | 95.7 | Very high | 95.7 | Very high | 72 Ų | 72 | 100.5 Ų | 100.5 | 44% | 0.442 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 175.4 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | K30 E31 L32 I36 T37 D38 | K30-T34 WeakPolarHBondContact O-CG2 3.35Å; K30-T34 PolarHBondContact O-N 2.9Å; K30-T34 PolarHBondContact O-OG1 3.37Å; E31-T34 WeakPolarHBondContact CA-OG1 3.28Å; E31-T34 PolarHBondContact O-OG1 3.37Å; L32-T34 PolarHBondContact O-N 3.4Å; T34-I36 PolarHBondContact O-N 3.11Å; T34-T37 WeakPolarHBondContact O-CB 3.42Å; T34-T37 PolarHBondContact O-N 3.26Å; T34-T37 VanDerWaalsContact O-N 3.15Å; T34-D38 VanDerWaalsContact O-CG 3.25Å; T34-D38 PolarHBondContact O-N 3.1Å |
| 35 | K | 96.5 | Very high | 95.7 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 178.5 | -77.2 | 177.4 | -179.9 | -179.4 | 0 | 113.2 | E31 L32 T37 T39 | E31-K35 WeakPolarHBondContact O-CB 3.47Å; E31-K35 VanDerWaalsContact O-CG 3.29Å; E31-K35 WeakPolarHBondContact O-CG 3.43Å; E31-K35 PolarHBondContact O-N 2.93Å; L32-K35 PolarHBondContact O-N 3.01Å; K35-T37 VanDerWaalsContact C-N 3.33Å; K35-T39 WeakPolarHBondContact O-CB 3.5Å; K35-T39 PolarHBondContact O-N 2.79Å; K35-T39 PolarHBondContact O-OG1 3.47Å |
| 36 | I | 95.9 | Very high | 95.7 | Very high | 94 Ų | 94 | 100.1 Ų | 100.1 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.8 | -72.9 | 167.2 | 0 | 0 | 0 | 109.7 | L32 E33 T34 T39 H40 | L32-I36 WeakPolarHBondContact O-CB 3.46Å; L32-I36 VanDerWaalsContact O-CG1 3.24Å; L32-I36 WeakPolarHBondContact O-CG1 3.39Å; L32-I36 PolarHBondContact O-N 3.37Å; E33-I36 PolarHBondContact O-N 2.99Å; T34-I36 PolarHBondContact O-N 3.11Å; I36-T39 PolarHBondContact O-N 3.08Å; I36-H40 VanDerWaalsContact CG2-CD2 3.49Å; I36-H40 WeakPolarHBondContact CG2-CD2 3.26Å; I36-H40 WeakPolarHBondContact O-CB 3.44Å; I36-H40 PolarHBondContact O-CD2 2.9Å; I36-H40 PolarHBondContact O-N 2.86Å |
| 37 | T | 95.4 | Very high | 95.7 | Very high | 90 Ų | 90 | 99.6 Ų | 99.6 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -47.3 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | E33 T34 K35 T39 H40 Q41 | E33-T37 WeakPolarHBondContact O-CB 3.41Å; E33-T37 PolarHBondContact O-N 3.28Å; E33-T37 PolarHBondContact O-OG1 3.37Å; T34-T37 WeakPolarHBondContact O-CB 3.42Å; T34-T37 PolarHBondContact O-N 3.26Å; T34-T37 VanDerWaalsContact O-N 3.15Å; K35-T37 VanDerWaalsContact C-N 3.33Å; T37-T39 VanDerWaalsContact C-N 3.35Å; T37-T39 PolarHBondContact O-N 2.91Å; T37-H40 PolarHBondContact O-N 3.19Å; T37-Q41 WeakPolarHBondContact O-CB 3.25Å; T37-Q41 PolarHBondContact O-N 3.31Å |
| 38 | D | 96.4 | Very high | 95.7 | Very high | 99 Ų | 99 | 98.8 Ų | 98.8 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 178.6 | -65 | -20.6 | 0 | 0 | 0 | 111.7 | T34 Q41 T42 | T34-D38 VanDerWaalsContact O-CG 3.25Å; T34-D38 PolarHBondContact O-N 3.1Å; D38-Q41 PolarHBondContact O-N 2.97Å; D38-T42 WeakPolarHBondContact O-CB 3.39Å; D38-T42 PolarHBondContact O-N 3.36Å; D38-T42 PolarHBondContact O-OG1 2.99Å |
| 39 | T | 96.1 | Very high | 95.7 | Very high | 79 Ų | 79 | 99.3 Ų | 99.3 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 111 | K35 I36 T37 Q41 T42 I43 | K35-T39 WeakPolarHBondContact O-CB 3.5Å; K35-T39 PolarHBondContact O-N 2.79Å; K35-T39 PolarHBondContact O-OG1 3.47Å; I36-T39 PolarHBondContact O-N 3.08Å; T37-T39 VanDerWaalsContact C-N 3.35Å; T37-T39 PolarHBondContact O-N 2.91Å; T39-Q41 VanDerWaalsContact C-N 3.31Å; T39-Q41 PolarHBondContact O-N 3.4Å; T39-T42 PolarHBondContact O-N 3.33Å; T39-I43 HydrophobicContact CG2-CD1 3.95Å; T39-I43 VanDerWaalsContact O-CG1 3.3Å; T39-I43 WeakPolarHBondContact O-CG1 3.42Å; T39-I43 PolarHBondContact O-N 2.92Å |
| 40 | H | 95.9 | Very high | 95.8 | Very high | 106 Ų | 106 | 98.8 Ų | 98.8 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 175.9 | -81.7 | -57.2 | 0 | 0 | 0 | 112.5 | I36 T37 R44 | I36-H40 VanDerWaalsContact CG2-CD2 3.49Å; I36-H40 WeakPolarHBondContact CG2-CD2 3.26Å; I36-H40 WeakPolarHBondContact O-CB 3.44Å; I36-H40 PolarHBondContact O-CD2 2.9Å; I36-H40 PolarHBondContact O-N 2.86Å; T37-H40 PolarHBondContact O-N 3.19Å; H40-R44 WeakPolarHBondContact O-CG 3.27Å; H40-R44 PolarHBondContact O-N 3.38Å |
| 41 | Q | 96.4 | Very high | 95.7 | Very high | 93 Ų | 93 | 96.1 Ų | 96.1 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 176.2 | -175.9 | 59.9 | 23.7 | 0 | 0 | 111.1 | T37 D38 T39 I43 R44 E45 | T37-Q41 WeakPolarHBondContact O-CB 3.25Å; T37-Q41 PolarHBondContact O-N 3.31Å; D38-Q41 PolarHBondContact O-N 2.97Å; T39-Q41 VanDerWaalsContact C-N 3.31Å; T39-Q41 PolarHBondContact O-N 3.4Å; Q41-I43 PolarHBondContact O-N 3.47Å; Q41-R44 PolarHBondContact O-N 2.96Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.37Å; Q41-E45 PolarHBondContact NE2-OE1 2.86Å; Q41-E45 WeakPolarHBondContact O-CG 3.34Å; Q41-E45 PolarHBondContact O-N 2.92Å |
| 42 | T | 95.7 | Very high | 95.7 | Very high | 89 Ų | 89 | 95.5 Ų | 95.5 | 55% | 0.546 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 178.3 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | D38 T39 E45 S46 | D38-T42 WeakPolarHBondContact O-CB 3.39Å; D38-T42 PolarHBondContact O-N 3.36Å; D38-T42 PolarHBondContact O-OG1 2.99Å; T39-T42 PolarHBondContact O-N 3.33Å; T42-E45 PolarHBondContact O-N 3.15Å; T42-S46 WeakPolarHBondContact O-CB 3.42Å; T42-S46 PolarHBondContact O-N 3.48Å |
| 43 | I | 96.2 | Very high | 95.7 | Very high | 79 Ų | 79 | 96.2 Ų | 96.2 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 175.8 | -69.8 | 167.2 | 0 | 0 | 0 | 110.4 | T39 Q41 E45 S46 E47 | T39-I43 HydrophobicContact CG2-CD1 3.95Å; T39-I43 VanDerWaalsContact O-CG1 3.3Å; T39-I43 WeakPolarHBondContact O-CG1 3.42Å; T39-I43 PolarHBondContact O-N 2.92Å; Q41-I43 PolarHBondContact O-N 3.47Å; I43-E45 VanDerWaalsContact C-N 3.32Å; I43-E45 PolarHBondContact O-N 2.91Å; I43-S46 PolarHBondContact O-N 3.18Å; I43-E47 HydrophobicContact CG2-CG 4.23Å; I43-E47 WeakPolarHBondContact O-CB 3.36Å; I43-E47 VanDerWaalsContact O-CG 3.32Å; I43-E47 WeakPolarHBondContact O-CG 3.38Å; I43-E47 PolarHBondContact O-N 2.9Å |
| 44 | R | 95.7 | Very high | 95.7 | Very high | 158 Ų | 158 | 94.6 Ų | 94.6 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -40 | 178.9 | -76.2 | 178.2 | -175.9 | -178.9 | 3 | 112.7 | H40 Q41 T48 | H40-R44 WeakPolarHBondContact O-CG 3.27Å; H40-R44 PolarHBondContact O-N 3.38Å; Q41-R44 PolarHBondContact O-N 2.96Å; R44-T48 VanDerWaalsContact O-CB 3.31Å; R44-T48 WeakPolarHBondContact O-CB 3.5Å; R44-T48 PolarHBondContact O-N 3.27Å; R44-T48 PolarHBondContact O-OG1 3.24Å |
| 45 | E | 95.1 | Very high | 95.8 | Very high | 110 Ų | 110 | 99 Ų | 99 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 177.5 | -73.7 | 171 | -175.6 | 0 | 0 | 111.1 | Q41 T42 I43 T48 E49 | Q41-E45 WeakPolarHBondContact CG-OE1 3.37Å; Q41-E45 PolarHBondContact NE2-OE1 2.86Å; Q41-E45 WeakPolarHBondContact O-CG 3.34Å; Q41-E45 PolarHBondContact O-N 2.92Å; T42-E45 PolarHBondContact O-N 3.15Å; I43-E45 VanDerWaalsContact C-N 3.32Å; I43-E45 PolarHBondContact O-N 2.91Å; E45-T48 PolarHBondContact O-N 3.42Å; E45-E49 PolarHBondContact O-N 2.95Å |
| 46 | S | 94.4 | Very high | 95.7 | Very high | 64 Ų | 64 | 96.1 Ų | 96.1 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 112.9 | T42 I43 T48 E49 T50 | T42-S46 WeakPolarHBondContact O-CB 3.42Å; T42-S46 PolarHBondContact O-N 3.48Å; I43-S46 PolarHBondContact O-N 3.18Å; S46-T48 VanDerWaalsContact C-N 3.33Å; S46-T48 PolarHBondContact O-N 3.41Å; S46-E49 PolarHBondContact O-N 3.11Å; S46-T50 WeakPolarHBondContact O-CB 3.42Å; S46-T50 PolarHBondContact O-N 3.39Å; S46-T50 PolarHBondContact O-OG1 3.23Å |
| 47 | E | 95.8 | Very high | 95.7 | Very high | 112 Ų | 112 | 96.8 Ų | 96.8 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.3 | -74.7 | 176.3 | 164.4 | 0 | 0 | 111.4 | I43 T50 L51 | I43-E47 HydrophobicContact CG2-CG 4.23Å; I43-E47 WeakPolarHBondContact O-CB 3.36Å; I43-E47 VanDerWaalsContact O-CG 3.32Å; I43-E47 WeakPolarHBondContact O-CG 3.38Å; I43-E47 PolarHBondContact O-N 2.9Å; E47-T50 PolarHBondContact O-N 3.28Å; E47-L51 WeakPolarHBondContact O-CB 3.47Å; E47-L51 VanDerWaalsContact O-CG 3.25Å; E47-L51 WeakPolarHBondContact O-CG 3.32Å; E47-L51 PolarHBondContact O-N 3.43Å |
| 48 | T | 95.8 | Very high | 95.6 | Very high | 78 Ų | 78 | 97.4 Ų | 97.4 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 178.6 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | R44 E45 S46 L51 N52 | R44-T48 VanDerWaalsContact O-CB 3.31Å; R44-T48 WeakPolarHBondContact O-CB 3.5Å; R44-T48 PolarHBondContact O-N 3.27Å; R44-T48 PolarHBondContact O-OG1 3.24Å; E45-T48 PolarHBondContact O-N 3.42Å; S46-T48 VanDerWaalsContact C-N 3.33Å; S46-T48 PolarHBondContact O-N 3.41Å; T48-L51 PolarHBondContact O-N 2.86Å; T48-N52 WeakPolarHBondContact O-CB 3.25Å; T48-N52 PolarHBondContact O-N 3.02Å; T48-N52 PolarHBondContact O-ND2 3.18Å |
| 49 | E | 95.8 | Very high | 95.7 | Very high | 130 Ų | 130 | 99 Ų | 99 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -48.6 | 175.1 | -175.4 | 171.9 | -164.6 | 0 | 0 | 111.3 | E45 S46 L51 N52 I53 | E45-E49 PolarHBondContact O-N 2.95Å; S46-E49 PolarHBondContact O-N 3.11Å; E49-L51 VanDerWaalsContact C-N 3.34Å; E49-L51 PolarHBondContact O-N 2.75Å; E49-N52 WeakPolarHBondContact O-CB 3.11Å; E49-N52 PolarHBondContact O-N 3.36Å; E49-N52 VanDerWaalsContact O-N 3.08Å; E49-I53 HydrophobicContact CG-CD1 4.23Å; E49-I53 WeakPolarHBondContact O-CG1 3.46Å; E49-I53 PolarHBondContact O-N 2.96Å |
| 50 | T | 95.5 | Very high | 95.6 | Very high | 72 Ų | 72 | 99.2 Ų | 99.2 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 177.4 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | S46 E47 N52 I53 L54 | S46-T50 WeakPolarHBondContact O-CB 3.42Å; S46-T50 PolarHBondContact O-N 3.39Å; S46-T50 PolarHBondContact O-OG1 3.23Å; E47-T50 PolarHBondContact O-N 3.28Å; T50-N52 VanDerWaalsContact C-N 3.3Å; T50-N52 PolarHBondContact O-N 3.09Å; T50-I53 PolarHBondContact O-N 3.48Å; T50-L54 HydrophobicContact CG2-CD1 4.19Å; T50-L54 WeakPolarHBondContact O-CG 3.48Å; T50-L54 PolarHBondContact O-N 3.29Å |
| 51 | L | 94.5 | Very high | 95.6 | Very high | 90 Ų | 90 | 97.7 Ų | 97.7 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -35.2 | 176 | -77.3 | 172.1 | 0 | 0 | 0 | 112.6 | E47 T48 E49 R55 | E47-L51 WeakPolarHBondContact O-CB 3.47Å; E47-L51 VanDerWaalsContact O-CG 3.25Å; E47-L51 WeakPolarHBondContact O-CG 3.32Å; E47-L51 PolarHBondContact O-N 3.43Å; T48-L51 PolarHBondContact O-N 2.86Å; E49-L51 VanDerWaalsContact C-N 3.34Å; E49-L51 PolarHBondContact O-N 2.75Å; L51-R55 WeakPolarHBondContact O-CB 3.43Å; L51-R55 WeakPolarHBondContact O-CD 3.24Å; L51-R55 WeakPolarHBondContact O-CG 3.37Å; L51-R55 PolarHBondContact O-N 3.36Å |
| 52 | N | 96.3 | Very high | 95.5 | Very high | 82 Ų | 82 | 98.9 Ų | 98.9 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 176.9 | -72.6 | -26.5 | 0 | 0 | 0 | 111.7 | T48 E49 T50 R55 A56 | T48-N52 WeakPolarHBondContact O-CB 3.25Å; T48-N52 PolarHBondContact O-N 3.02Å; T48-N52 PolarHBondContact O-ND2 3.18Å; E49-N52 WeakPolarHBondContact O-CB 3.11Å; E49-N52 PolarHBondContact O-N 3.36Å; E49-N52 VanDerWaalsContact O-N 3.08Å; T50-N52 VanDerWaalsContact C-N 3.3Å; T50-N52 PolarHBondContact O-N 3.09Å; N52-R55 PolarHBondContact O-N 3.06Å; N52-A56 PolarHBondContact O-N 3.48Å |
| 53 | I | 95.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 174.2 | -65.8 | 167.1 | 0 | 0 | 0 | 109.9 | E49 T50 R55 A56 E57 | E49-I53 HydrophobicContact CG-CD1 4.23Å; E49-I53 WeakPolarHBondContact O-CG1 3.46Å; E49-I53 PolarHBondContact O-N 2.96Å; T50-I53 PolarHBondContact O-N 3.48Å; I53-R55 VanDerWaalsContact C-N 3.28Å; I53-R55 PolarHBondContact O-N 3.34Å; I53-A56 WeakPolarHBondContact O-CB 3.48Å; I53-A56 PolarHBondContact O-N 2.85Å; I53-E57 HydrophobicContact CG2-CG 4.37Å; I53-E57 WeakPolarHBondContact O-CG 3.14Å; I53-E57 PolarHBondContact O-N 2.85Å |
| 54 | L | 95.6 | Very high | 95.5 | Very high | 94 Ų | 94 | 100.9 Ų | 100.9 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -36.1 | 179.3 | -70.7 | 173.7 | 0 | 0 | 0 | 112.8 | T50 L58 | T50-L54 HydrophobicContact CG2-CD1 4.19Å; T50-L54 WeakPolarHBondContact O-CG 3.48Å; T50-L54 PolarHBondContact O-N 3.29Å; L54-L58 VanDerWaalsContact O-CB 3.23Å; L54-L58 WeakPolarHBondContact O-CB 3.46Å; L54-L58 PolarHBondContact O-N 3.14Å |
| 55 | R | 96.6 | Very high | 95.4 | Very high | 164 Ų | 164 | 99.4 Ų | 99.4 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | 174.6 | -78.3 | 170.8 | -178.2 | 169.6 | 1.3 | 112.3 | L51 N52 I53 K59 | L51-R55 WeakPolarHBondContact O-CB 3.43Å; L51-R55 WeakPolarHBondContact O-CD 3.24Å; L51-R55 WeakPolarHBondContact O-CG 3.37Å; L51-R55 PolarHBondContact O-N 3.36Å; N52-R55 PolarHBondContact O-N 3.06Å; I53-R55 VanDerWaalsContact C-N 3.28Å; I53-R55 PolarHBondContact O-N 3.34Å; R55-K59 WeakPolarHBondContact O-CB 3.38Å; R55-K59 PolarHBondContact O-N 3.47Å; R55-K59 VanDerWaalsContact O-N 3.13Å |
| 56 | A | 95.3 | Very high | 95.5 | Very high | 51 Ų | 51 | 99.4 Ų | 99.4 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -48.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N52 I53 L58 K59 D60 | N52-A56 PolarHBondContact O-N 3.48Å; I53-A56 WeakPolarHBondContact O-CB 3.48Å; I53-A56 PolarHBondContact O-N 2.85Å; A56-L58 VanDerWaalsContact C-N 3.33Å; A56-L58 PolarHBondContact O-N 2.85Å; A56-K59 WeakPolarHBondContact O-CB 3.49Å; A56-K59 PolarHBondContact O-N 3.3Å; A56-K59 VanDerWaalsContact O-N 3.12Å; A56-D60 PolarHBondContact O-N 3.39Å |
| 57 | E | 95.2 | Very high | 95.5 | Very high | 108 Ų | 108 | 104.4 Ų | 104.4 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 177.9 | -69.6 | 178.8 | 171.4 | 0 | 0 | 112.7 | I53 K59 D60 S61 | I53-E57 HydrophobicContact CG2-CG 4.37Å; I53-E57 WeakPolarHBondContact O-CG 3.14Å; I53-E57 PolarHBondContact O-N 2.85Å; E57-K59 VanDerWaalsContact C-N 3.34Å; E57-D60 PolarHBondContact O-N 3.15Å; E57-S61 WeakPolarHBondContact O-CB 3.23Å; E57-S61 PolarHBondContact O-N 2.91Å; E57-S61 PolarHBondContact O-OG 2.94Å |
| 58 | L | 94.6 | Very high | 95.4 | Very high | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 175.1 | -179.3 | 63.1 | 0 | 0 | 0 | 111.4 | L54 A56 S61 Q62 | L54-L58 VanDerWaalsContact O-CB 3.23Å; L54-L58 WeakPolarHBondContact O-CB 3.46Å; L54-L58 PolarHBondContact O-N 3.14Å; A56-L58 VanDerWaalsContact C-N 3.33Å; A56-L58 PolarHBondContact O-N 2.85Å; L58-S61 PolarHBondContact O-N 3.05Å; L58-Q62 VanDerWaalsContact O-CG 3.29Å; L58-Q62 WeakPolarHBondContact O-CG 3.46Å; L58-Q62 PolarHBondContact O-N 3.11Å |
| 59 | K | 96.7 | Very high | 95.3 | Very high | 133 Ų | 133 | 104.8 Ų | 104.8 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -44.1 | 177.5 | -175.2 | -178 | 176.4 | -173.9 | 0 | 111.4 | R55 A56 E57 Q62 M63 | R55-K59 WeakPolarHBondContact O-CB 3.38Å; R55-K59 PolarHBondContact O-N 3.47Å; R55-K59 VanDerWaalsContact O-N 3.13Å; A56-K59 WeakPolarHBondContact O-CB 3.49Å; A56-K59 PolarHBondContact O-N 3.3Å; A56-K59 VanDerWaalsContact O-N 3.12Å; E57-K59 VanDerWaalsContact C-N 3.34Å; K59-Q62 WeakPolarHBondContact O-CB 3.37Å; K59-Q62 PolarHBondContact O-N 3.29Å; K59-M63 WeakPolarHBondContact O-CG 3.25Å; K59-M63 PolarHBondContact O-N 3.32Å |
| 60 | D | 94.6 | Very high | 95.3 | Very high | 83 Ų | 83 | 103.8 Ų | 103.8 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 177.3 | -71.4 | -13.7 | 0 | 0 | 0 | 111.3 | A56 E57 Q62 M63 I64 | A56-D60 PolarHBondContact O-N 3.39Å; E57-D60 PolarHBondContact O-N 3.15Å; D60-Q62 VanDerWaalsContact C-N 3.3Å; D60-Q62 PolarHBondContact O-N 2.91Å; D60-M63 PolarHBondContact O-N 3.06Å; D60-M63 VanDerWaalsContact O-N 3.17Å; D60-M63 WeakPolarHBondContact OD1-CE 3.38Å; D60-I64 WeakPolarHBondContact O-CG1 3.5Å; D60-I64 PolarHBondContact O-N 2.87Å |
| 61 | S | 95.1 | Very high | 95.3 | Very high | 73 Ų | 73 | 104.8 Ų | 104.8 | 51% | 0.51 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -38.8 | 174.8 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | E57 L58 I64 K65 | E57-S61 WeakPolarHBondContact O-CB 3.23Å; E57-S61 PolarHBondContact O-N 2.91Å; E57-S61 PolarHBondContact O-OG 2.94Å; L58-S61 PolarHBondContact O-N 3.05Å; S61-I64 PolarHBondContact O-N 3.47Å; S61-K65 WeakPolarHBondContact O-CB 3.31Å; S61-K65 PolarHBondContact O-N 3.21Å |
| 62 | Q | 96.1 | Very high | 95.3 | Very high | 118 Ų | 118 | 105.1 Ų | 105.1 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.7 | -41 | 175 | -75.9 | 173.6 | -10.5 | 0 | 0 | 112.2 | L58 K59 D60 K65 Q66 | L58-Q62 VanDerWaalsContact O-CG 3.29Å; L58-Q62 WeakPolarHBondContact O-CG 3.46Å; L58-Q62 PolarHBondContact O-N 3.11Å; K59-Q62 WeakPolarHBondContact O-CB 3.37Å; K59-Q62 PolarHBondContact O-N 3.29Å; D60-Q62 VanDerWaalsContact C-N 3.3Å; D60-Q62 PolarHBondContact O-N 2.91Å; Q62-K65 PolarHBondContact O-N 3.32Å; Q62-Q66 PolarHBondContact O-N 3.45Å |
| 63 | M | 95.8 | Very high | 95.2 | Very high | 104 Ų | 104 | 105.8 Ų | 105.8 | 51% | 0.512 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 175.9 | -67.9 | -163.7 | -57.5 | 0 | 0 | 112.1 | K59 D60 K65 Q66 R67 | K59-M63 WeakPolarHBondContact O-CG 3.25Å; K59-M63 PolarHBondContact O-N 3.32Å; D60-M63 PolarHBondContact O-N 3.06Å; D60-M63 VanDerWaalsContact O-N 3.17Å; D60-M63 WeakPolarHBondContact OD1-CE 3.38Å; M63-K65 VanDerWaalsContact C-N 3.35Å; M63-Q66 PolarHBondContact O-N 2.93Å; M63-R67 PolarHBondContact O-N 2.97Å |
| 64 | I | 94.7 | Very high | 95.2 | Very high | 106 Ų | 106 | 104.9 Ų | 104.9 | 54% | 0.544 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.4 | -67.4 | 166.9 | 0 | 0 | 0 | 110.2 | D60 S61 Q66 R67 L68 | D60-I64 WeakPolarHBondContact O-CG1 3.5Å; D60-I64 PolarHBondContact O-N 2.87Å; S61-I64 PolarHBondContact O-N 3.47Å; I64-Q66 PolarHBondContact O-N 3.06Å; I64-R67 PolarHBondContact O-N 3.44Å; I64-L68 HydrophobicContact CG2-CD1 4.08Å; I64-L68 HydrophobicContact CG2-CG 4.48Å; I64-L68 WeakPolarHBondContact O-CG 3.38Å; I64-L68 PolarHBondContact O-N 3.23Å |
| 65 | K | 94.8 | Very high | 95.2 | Very high | 127 Ų | 127 | 106 Ų | 106 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.1 | -48.9 | 176.5 | 179.5 | -176.7 | 166.4 | -174.8 | 0 | 111.5 | S61 Q62 M63 R67 L68 E69 | S61-K65 WeakPolarHBondContact O-CB 3.31Å; S61-K65 PolarHBondContact O-N 3.21Å; Q62-K65 PolarHBondContact O-N 3.32Å; M63-K65 VanDerWaalsContact C-N 3.35Å; K65-R67 VanDerWaalsContact C-N 3.32Å; K65-R67 PolarHBondContact O-N 2.96Å; K65-L68 PolarHBondContact O-N 3.36Å; K65-E69 WeakPolarHBondContact CE-OE1 3.33Å; K65-E69 IonicContact NZ-OE1 3.38Å; K65-E69 WeakPolarHBondContact O-CG 3.21Å; K65-E69 PolarHBondContact O-N 3.4Å |
| 66 | Q | 95.8 | Very high | 95.1 | Very high | 111 Ų | 111 | 103.6 Ų | 103.6 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 179.2 | -175.6 | -177.4 | -13.8 | 0 | 0 | 111.7 | Q62 M63 I64 L68 E69 E70 | Q62-Q66 PolarHBondContact O-N 3.45Å; M63-Q66 PolarHBondContact O-N 2.93Å; I64-Q66 PolarHBondContact O-N 3.06Å; Q66-L68 VanDerWaalsContact C-N 3.35Å; Q66-L68 PolarHBondContact O-N 2.94Å; Q66-E69 PolarHBondContact O-N 3.19Å; Q66-E70 PolarHBondContact NE2-OE1 3.1Å; Q66-E70 VanDerWaalsContact NE2-OE1 3.11Å; Q66-E70 WeakPolarHBondContact O-CG 3.45Å; Q66-E70 PolarHBondContact O-N 2.9Å |
| 67 | R | 94.9 | Very high | 95.1 | Very high | 169 Ų | 169 | 105.4 Ų | 105.4 | 64% | 0.638 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -40.7 | 177.5 | -174.6 | 178.6 | -179.2 | 173.8 | 1.4 | 112.6 | M63 I64 K65 E70 Q71 | M63-R67 PolarHBondContact O-N 2.97Å; I64-R67 PolarHBondContact O-N 3.44Å; K65-R67 VanDerWaalsContact C-N 3.32Å; K65-R67 PolarHBondContact O-N 2.96Å; R67-E70 PolarHBondContact O-N 3.01Å; R67-Q71 WeakPolarHBondContact O-CG 3.24Å; R67-Q71 PolarHBondContact O-N 3.29Å |
| 68 | L | 94.2 | Very high | 95.1 | Very high | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 176.6 | -71.2 | 173.4 | 0 | 0 | 0 | 111.7 | I64 K65 Q66 Q71 L72 | I64-L68 HydrophobicContact CG2-CD1 4.08Å; I64-L68 HydrophobicContact CG2-CG 4.48Å; I64-L68 WeakPolarHBondContact O-CG 3.38Å; I64-L68 PolarHBondContact O-N 3.23Å; K65-L68 PolarHBondContact O-N 3.36Å; Q66-L68 VanDerWaalsContact C-N 3.35Å; Q66-L68 PolarHBondContact O-N 2.94Å; L68-Q71 PolarHBondContact O-N 3.47Å; L68-L72 WeakPolarHBondContact O-CB 3.38Å; L68-L72 PolarHBondContact O-N 2.76Å |
| 69 | E | 94.6 | Very high | 95 | Very high | 97 Ų | 97 | 103.8 Ų | 103.8 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 174.2 | -73.1 | 173.9 | 165.8 | 0 | 0 | 111.6 | K65 Q66 L72 N73 | K65-E69 WeakPolarHBondContact CE-OE1 3.33Å; K65-E69 IonicContact NZ-OE1 3.38Å; K65-E69 WeakPolarHBondContact O-CG 3.21Å; K65-E69 PolarHBondContact O-N 3.4Å; Q66-E69 PolarHBondContact O-N 3.19Å; E69-L72 PolarHBondContact O-N 2.8Å; E69-N73 VanDerWaalsContact O-CG 3.22Å; E69-N73 PolarHBondContact O-N 2.85Å; E69-N73 PolarHBondContact O-ND2 3.49Å |
| 70 | E | 94.7 | Very high | 95 | Very high | 109 Ų | 109 | 103.2 Ų | 103.2 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.5 | -72.2 | 169 | -170.2 | 0 | 0 | 112.1 | Q66 R67 N73 S74 | Q66-E70 PolarHBondContact NE2-OE1 3.1Å; Q66-E70 VanDerWaalsContact NE2-OE1 3.11Å; Q66-E70 WeakPolarHBondContact O-CG 3.45Å; Q66-E70 PolarHBondContact O-N 2.9Å; R67-E70 PolarHBondContact O-N 3.01Å; E70-N73 PolarHBondContact O-N 3.39Å; E70-S74 PolarHBondContact O-N 3.26Å |
| 71 | Q | 96 | Very high | 95 | Very high | 93 Ų | 93 | 103.8 Ų | 103.8 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.9 | -74.8 | -179.9 | -30.6 | 0 | 0 | 112.4 | R67 L68 N73 S74 L75 | R67-Q71 WeakPolarHBondContact O-CG 3.24Å; R67-Q71 PolarHBondContact O-N 3.29Å; L68-Q71 PolarHBondContact O-N 3.47Å; Q71-N73 VanDerWaalsContact C-N 3.34Å; Q71-S74 PolarHBondContact O-N 2.92Å; Q71-L75 WeakPolarHBondContact O-CG 3.38Å; Q71-L75 PolarHBondContact O-N 3.27Å |
| 72 | L | 93.8 | Very high | 95 | Very high | 96 Ų | 96 | 103.9 Ų | 103.9 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 178.1 | -172.6 | 145.4 | 0 | 0 | 0 | 111.2 | L68 E69 L75 Q76 | L68-L72 WeakPolarHBondContact O-CB 3.38Å; L68-L72 PolarHBondContact O-N 2.76Å; E69-L72 PolarHBondContact O-N 2.8Å; L72-L75 PolarHBondContact O-N 2.89Å; L72-Q76 HydrophobicContact CD2-CG 4.26Å; L72-Q76 WeakPolarHBondContact O-CB 3.49Å; L72-Q76 VanDerWaalsContact O-CG 3.29Å; L72-Q76 WeakPolarHBondContact O-CG 3.38Å; L72-Q76 PolarHBondContact O-N 3.4Å |
| 73 | N | 94.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 103 Ų | 103 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.9 | -69.2 | -25.7 | 0 | 0 | 0 | 112.1 | E69 E70 Q71 Q76 E77 | E69-N73 VanDerWaalsContact O-CG 3.22Å; E69-N73 PolarHBondContact O-N 2.85Å; E69-N73 PolarHBondContact O-ND2 3.49Å; E70-N73 PolarHBondContact O-N 3.39Å; Q71-N73 VanDerWaalsContact C-N 3.34Å; N73-Q76 PolarHBondContact O-N 2.82Å; N73-E77 PolarHBondContact O-N 3.32Å; N73-E77 VanDerWaalsContact O-N 3.09Å |
| 74 | S | 94.7 | Very high | 95 | Very high | 66 Ų | 66 | 102.4 Ų | 102.4 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 176.2 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | E70 Q71 Q76 E77 D78 | E70-S74 PolarHBondContact O-N 3.26Å; Q71-S74 PolarHBondContact O-N 2.92Å; S74-Q76 VanDerWaalsContact C-N 3.31Å; S74-Q76 PolarHBondContact O-N 3.48Å; S74-E77 PolarHBondContact O-N 3.5Å; S74-E77 VanDerWaalsContact O-N 3.17Å; S74-D78 VanDerWaalsContact O-CG 3.32Å; S74-D78 PolarHBondContact O-N 3.22Å |
| 75 | L | 95.4 | Very high | 95 | Very high | 116 Ų | 116 | 101.8 Ų | 101.8 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.9 | -34.9 | 180 | -73 | 172.1 | 0 | 0 | 0 | 112.5 | Q71 L72 E77 L79 | Q71-L75 WeakPolarHBondContact O-CG 3.38Å; Q71-L75 PolarHBondContact O-N 3.27Å; L72-L75 PolarHBondContact O-N 2.89Å; L75-E77 VanDerWaalsContact C-N 3.34Å; L75-L79 VanDerWaalsContact O-CB 3.3Å; L75-L79 WeakPolarHBondContact O-CB 3.33Å; L75-L79 PolarHBondContact O-N 2.78Å |
| 76 | Q | 94.8 | Very high | 95 | Very high | 115 Ų | 115 | 101.1 Ų | 101.1 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 174.1 | -78 | -179.5 | -17.7 | 0 | 0 | 112.1 | L72 N73 S74 R80 | L72-Q76 HydrophobicContact CD2-CG 4.26Å; L72-Q76 WeakPolarHBondContact O-CB 3.49Å; L72-Q76 VanDerWaalsContact O-CG 3.29Å; L72-Q76 WeakPolarHBondContact O-CG 3.38Å; L72-Q76 PolarHBondContact O-N 3.4Å; N73-Q76 PolarHBondContact O-N 2.82Å; S74-Q76 VanDerWaalsContact C-N 3.31Å; S74-Q76 PolarHBondContact O-N 3.48Å; Q76-R80 WeakPolarHBondContact O-CB 3.48Å; Q76-R80 PolarHBondContact O-N 2.93Å |
| 77 | E | 95.5 | Very high | 95 | Very high | 89 Ų | 89 | 100.5 Ų | 100.5 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.4 | -42.4 | 176.3 | -175.1 | 60.1 | -170.8 | 0 | 0 | 111.7 | N73 S74 L75 L79 R80 Q81 | N73-E77 PolarHBondContact O-N 3.32Å; N73-E77 VanDerWaalsContact O-N 3.09Å; S74-E77 PolarHBondContact O-N 3.5Å; S74-E77 VanDerWaalsContact O-N 3.17Å; L75-E77 VanDerWaalsContact C-N 3.34Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 2.96Å; E77-R80 WeakPolarHBondContact O-CB 3.24Å; E77-R80 PolarHBondContact O-N 2.86Å; E77-R80 IonicContact OE1-CZ 3.96Å; E77-R80 IonicContact OE1-NE 3.81Å; E77-R80 PolarHBondContact OE1-NE 2.98Å; E77-R80 IonicContact OE1-NH2 2.89Å; E77-R80 PolarHBondContact OE1-NH2 3Å; E77-R80 IonicContact OE2-CZ 3.2Å; E77-R80 IonicContact OE2-NE 3.74Å; E77-R80 PolarHBondContact OE2-NE 3.41Å; E77-R80 IonicContact OE2-NH2 3.81Å; E77-Q81 PolarHBondContact O-N 2.68Å |
| 78 | D | 95.1 | Very high | 95 | Very high | 78 Ų | 78 | 96.6 Ų | 96.6 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 174.8 | -66.3 | -24.7 | 0 | 0 | 0 | 111.5 | S74 R80 Q81 T82 | S74-D78 VanDerWaalsContact O-CG 3.32Å; S74-D78 PolarHBondContact O-N 3.22Å; D78-R80 VanDerWaalsContact C-N 3.34Å; D78-R80 PolarHBondContact O-N 3.13Å; D78-Q81 PolarHBondContact O-N 3.49Å; D78-T82 WeakPolarHBondContact O-CG2 3.33Å; D78-T82 PolarHBondContact O-N 3.5Å; D78-T82 PolarHBondContact O-OG1 3.27Å |
| 79 | L | 93.3 | Very high | 95 | Very high | 98 Ų | 98 | 98.7 Ų | 98.7 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 174.8 | -178.2 | 64.8 | 0 | 0 | 0 | 111.3 | L75 E77 Q81 T82 Q83 | L75-L79 VanDerWaalsContact O-CB 3.3Å; L75-L79 WeakPolarHBondContact O-CB 3.33Å; L75-L79 PolarHBondContact O-N 2.78Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 2.96Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 3.04Å; L79-T82 WeakPolarHBondContact CA-OG1 3.48Å; L79-T82 PolarHBondContact O-N 3.32Å; L79-T82 PolarHBondContact O-OG1 2.96Å; L79-Q83 HydrophobicContact CD1-CG 4.48Å; L79-Q83 WeakPolarHBondContact O-CB 3.42Å; L79-Q83 WeakPolarHBondContact O-CG 3.44Å; L79-Q83 PolarHBondContact O-N 3.29Å |
| 80 | R | 95.5 | Very high | 95 | Very high | 122 Ų | 122 | 97.1 Ų | 97.1 | 46% | 0.46 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 177 | -169.8 | -173.9 | 74.4 | 75.6 | 0.7 | 111.3 | Q76 E77 D78 Q84 | Q76-R80 WeakPolarHBondContact O-CB 3.48Å; Q76-R80 PolarHBondContact O-N 2.93Å; E77-R80 WeakPolarHBondContact O-CB 3.24Å; E77-R80 PolarHBondContact O-N 2.86Å; E77-R80 IonicContact OE1-CZ 3.96Å; E77-R80 IonicContact OE1-NE 3.81Å; E77-R80 PolarHBondContact OE1-NE 2.98Å; E77-R80 IonicContact OE1-NH2 2.89Å; E77-R80 PolarHBondContact OE1-NH2 3Å; E77-R80 IonicContact OE2-CZ 3.2Å; E77-R80 IonicContact OE2-NE 3.74Å; E77-R80 PolarHBondContact OE2-NE 3.41Å; E77-R80 IonicContact OE2-NH2 3.81Å; D78-R80 VanDerWaalsContact C-N 3.34Å; D78-R80 PolarHBondContact O-N 3.13Å; R80-Q84 PolarHBondContact O-N 3.47Å |
| 81 | Q | 95.4 | Very high | 94.9 | Very high | 94 Ų | 94 | 99 Ų | 99 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.7 | -47.7 | 178.6 | -176.9 | 177.7 | -14.9 | 0 | 0 | 111.5 | E77 D78 L79 Q83 Q84 E85 | E77-Q81 PolarHBondContact O-N 2.68Å; D78-Q81 PolarHBondContact O-N 3.49Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 3.04Å; Q81-Q83 VanDerWaalsContact C-N 3.32Å; Q81-Q83 PolarHBondContact O-N 2.88Å; Q81-Q84 WeakPolarHBondContact O-CB 3.38Å; Q81-Q84 PolarHBondContact O-N 2.88Å; Q81-Q84 VanDerWaalsContact O-N 3.13Å; Q81-E85 PolarHBondContact NE2-OE1 3.36Å; Q81-E85 WeakPolarHBondContact O-CG 3.31Å; Q81-E85 PolarHBondContact O-N 3.42Å |
| 82 | T | 94.7 | Very high | 94.8 | Very high | 75 Ų | 75 | 96.7 Ų | 96.7 | 46% | 0.46 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 178.8 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | D78 L79 E85 L86 | D78-T82 WeakPolarHBondContact O-CG2 3.33Å; D78-T82 PolarHBondContact O-N 3.5Å; D78-T82 PolarHBondContact O-OG1 3.27Å; L79-T82 WeakPolarHBondContact CA-OG1 3.48Å; L79-T82 PolarHBondContact O-N 3.32Å; L79-T82 PolarHBondContact O-OG1 2.96Å; T82-E85 PolarHBondContact O-N 3.13Å; T82-L86 WeakPolarHBondContact O-CB 3.41Å; T82-L86 PolarHBondContact O-N 3.5Å |
| 83 | Q | 95.1 | Very high | 94.7 | Very high | 101 Ų | 101 | 97.3 Ų | 97.3 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 171.1 | -76.1 | 172.5 | -11.2 | 0 | 0 | 111.8 | L79 Q81 E85 L86 D87 | L79-Q83 HydrophobicContact CD1-CG 4.48Å; L79-Q83 WeakPolarHBondContact O-CB 3.42Å; L79-Q83 WeakPolarHBondContact O-CG 3.44Å; L79-Q83 PolarHBondContact O-N 3.29Å; Q81-Q83 VanDerWaalsContact C-N 3.32Å; Q81-Q83 PolarHBondContact O-N 2.88Å; Q83-E85 PolarHBondContact O-N 2.98Å; Q83-L86 PolarHBondContact O-N 2.89Å; Q83-D87 PolarHBondContact O-N 2.88Å |
| 84 | Q | 96.4 | Very high | 94.6 | Very high | 91 Ų | 91 | 96.5 Ų | 96.5 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 176.8 | -175.6 | -176.2 | -22.2 | 0 | 0 | 111.9 | R80 Q81 L86 D87 E88 | R80-Q84 PolarHBondContact O-N 3.47Å; Q81-Q84 WeakPolarHBondContact O-CB 3.38Å; Q81-Q84 PolarHBondContact O-N 2.88Å; Q81-Q84 VanDerWaalsContact O-N 3.13Å; Q84-L86 VanDerWaalsContact C-N 3.34Å; Q84-L86 PolarHBondContact O-N 3.05Å; Q84-D87 PolarHBondContact O-N 2.91Å; Q84-E88 PolarHBondContact NE2-OE1 3.19Å; Q84-E88 VanDerWaalsContact NE2-OE1 3.1Å; Q84-E88 WeakPolarHBondContact O-CG 3.42Å; Q84-E88 PolarHBondContact O-N 3.5Å |
| 85 | E | 95.2 | Very high | 94.5 | Very high | 93 Ų | 93 | 98 Ų | 98 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.6 | -72.7 | 177.5 | -166.6 | 0 | 0 | 111.2 | Q81 T82 Q83 D87 E88 K89 | Q81-E85 PolarHBondContact NE2-OE1 3.36Å; Q81-E85 WeakPolarHBondContact O-CG 3.31Å; Q81-E85 PolarHBondContact O-N 3.42Å; T82-E85 PolarHBondContact O-N 3.13Å; Q83-E85 PolarHBondContact O-N 2.98Å; E85-D87 PolarHBondContact O-N 2.95Å; E85-E88 PolarHBondContact O-N 2.73Å; E85-K89 VanDerWaalsContact O-CG 3.31Å; E85-K89 WeakPolarHBondContact O-CG 3.38Å; E85-K89 PolarHBondContact O-N 2.86Å |
| 86 | L | 95.1 | Very high | 94.2 | Very high | 113 Ų | 113 | 96.9 Ų | 96.9 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 176.1 | -175.7 | 63.5 | 0 | 0 | 0 | 111.8 | T82 Q83 Q84 E88 K89 T90 | T82-L86 WeakPolarHBondContact O-CB 3.41Å; T82-L86 PolarHBondContact O-N 3.5Å; Q83-L86 PolarHBondContact O-N 2.89Å; Q84-L86 VanDerWaalsContact C-N 3.34Å; Q84-L86 PolarHBondContact O-N 3.05Å; L86-E88 VanDerWaalsContact C-N 3.33Å; L86-E88 PolarHBondContact O-N 3.34Å; L86-K89 PolarHBondContact O-N 2.96Å; L86-T90 WeakPolarHBondContact O-CB 3.29Å; L86-T90 PolarHBondContact O-N 3.13Å; L86-T90 PolarHBondContact O-OG1 2.97Å |
| 87 | D | 95 | Very high | 93.8 | Very high | 97 Ų | 97 | 97.3 Ų | 97.3 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 176.2 | -74.6 | -16.6 | 0 | 0 | 0 | 112.1 | Q83 Q84 E85 R91 | Q83-D87 PolarHBondContact O-N 2.88Å; Q84-D87 PolarHBondContact O-N 2.91Å; E85-D87 PolarHBondContact O-N 2.95Å; D87-R91 WeakPolarHBondContact O-CB 3.38Å; D87-R91 WeakPolarHBondContact O-CG 3.44Å; D87-R91 PolarHBondContact O-N 3.19Å; D87-R91 PolarHBondContact O-NE 3.49Å |
| 88 | E | 94.7 | Very high | 93.5 | Very high | 87 Ų | 87 | 98 Ų | 98 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 173.6 | -74.2 | 174 | -166.1 | 0 | 0 | 112 | Q84 E85 L86 R91 A92 | Q84-E88 PolarHBondContact NE2-OE1 3.19Å; Q84-E88 VanDerWaalsContact NE2-OE1 3.1Å; Q84-E88 WeakPolarHBondContact O-CG 3.42Å; Q84-E88 PolarHBondContact O-N 3.5Å; E85-E88 PolarHBondContact O-N 2.73Å; L86-E88 VanDerWaalsContact C-N 3.33Å; L86-E88 PolarHBondContact O-N 3.34Å; E88-R91 VanDerWaalsContact CG-NH2 3.31Å; E88-R91 PolarHBondContact O-N 3.35Å; E88-A92 WeakPolarHBondContact O-CB 3.46Å; E88-A92 PolarHBondContact O-N 3.21Å |
| 89 | K | 95.6 | Very high | 93.3 | Very high | 145 Ų | 145 | 97.3 Ų | 97.3 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 176.3 | -66.1 | -60.4 | 178.8 | -173.5 | 0 | 112 | E85 L86 A92 L93 | E85-K89 VanDerWaalsContact O-CG 3.31Å; E85-K89 WeakPolarHBondContact O-CG 3.38Å; E85-K89 PolarHBondContact O-N 2.86Å; L86-K89 PolarHBondContact O-N 2.96Å; K89-A92 PolarHBondContact O-N 3.45Å; K89-L93 WeakPolarHBondContact O-CG 3.45Å; K89-L93 PolarHBondContact O-N 2.94Å |
| 90 | T | 93.7 | Very high | 93.1 | Very high | 64 Ų | 64 | 97.2 Ų | 97.2 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 176.7 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | L86 A92 L93 D94 | L86-T90 WeakPolarHBondContact O-CB 3.29Å; L86-T90 PolarHBondContact O-N 3.13Å; L86-T90 PolarHBondContact O-OG1 2.97Å; T90-A92 VanDerWaalsContact C-N 3.32Å; T90-A92 PolarHBondContact O-N 2.92Å; T90-L93 PolarHBondContact O-N 3.17Å; T90-D94 PolarHBondContact O-N 3.09Å |
| 91 | R | 94 | Very high | 92.7 | Very high | 148 Ų | 148 | 96 Ų | 96 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.2 | -39.4 | 174 | -75.4 | -177.4 | -72.6 | 171.2 | -3 | 113.1 | D87 E88 D94 I95 | D87-R91 WeakPolarHBondContact O-CB 3.38Å; D87-R91 WeakPolarHBondContact O-CG 3.44Å; D87-R91 PolarHBondContact O-N 3.19Å; D87-R91 PolarHBondContact O-NE 3.49Å; E88-R91 VanDerWaalsContact CG-NH2 3.31Å; E88-R91 PolarHBondContact O-N 3.35Å; R91-D94 PolarHBondContact O-N 2.98Å; R91-I95 WeakPolarHBondContact O-CG1 3.4Å; R91-I95 PolarHBondContact O-N 2.9Å; R91-I95 VanDerWaalsContact O-N 3.15Å |
| 92 | A | 93.9 | Very high | 92.5 | Very high | 46 Ų | 46 | 99.1 Ų | 99.1 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E88 K89 T90 I95 L96 | E88-A92 WeakPolarHBondContact O-CB 3.46Å; E88-A92 PolarHBondContact O-N 3.21Å; K89-A92 PolarHBondContact O-N 3.45Å; T90-A92 VanDerWaalsContact C-N 3.32Å; T90-A92 PolarHBondContact O-N 2.92Å; A92-I95 PolarHBondContact O-N 3.4Å; A92-L96 WeakPolarHBondContact O-CG 3.4Å; A92-L96 PolarHBondContact O-N 2.91Å |
| 93 | L | 91 | Very high | 92.4 | Very high | 109 Ų | 109 | 99.6 Ų | 99.6 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 174.1 | -75 | 172 | 0 | 0 | 0 | 111.3 | K89 T90 I95 L96 E97 | K89-L93 WeakPolarHBondContact O-CG 3.45Å; K89-L93 PolarHBondContact O-N 2.94Å; T90-L93 PolarHBondContact O-N 3.17Å; L93-I95 VanDerWaalsContact C-N 3.27Å; L93-I95 PolarHBondContact O-N 3.49Å; L93-L96 PolarHBondContact O-N 3.33Å; L93-L96 VanDerWaalsContact O-N 3.14Å; L93-E97 WeakPolarHBondContact O-CB 3.25Å; L93-E97 PolarHBondContact O-N 3.23Å |
| 94 | D | 91.8 | Very high | 92.2 | Very high | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.9 | -39.3 | 176.4 | -75.9 | -21.8 | 0 | 0 | 0 | 112.2 | T90 R91 N98 | T90-D94 PolarHBondContact O-N 3.09Å; R91-D94 PolarHBondContact O-N 2.98Å; D94-N98 VanDerWaalsContact O-CB 3.24Å; D94-N98 WeakPolarHBondContact O-CB 3.45Å; D94-N98 PolarHBondContact O-N 2.96Å; D94-N98 PolarHBondContact O-ND2 3.31Å |
| 95 | I | 93.2 | Very high | 92.1 | Very high | 97 Ų | 97 | 98.8 Ų | 98.8 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.9 | -45.1 | 177 | -67.5 | 165.8 | 0 | 0 | 0 | 110.9 | R91 A92 L93 T99 | R91-I95 WeakPolarHBondContact O-CG1 3.4Å; R91-I95 PolarHBondContact O-N 2.9Å; R91-I95 VanDerWaalsContact O-N 3.15Å; A92-I95 PolarHBondContact O-N 3.4Å; L93-I95 VanDerWaalsContact C-N 3.27Å; L93-I95 PolarHBondContact O-N 3.49Å; I95-T99 WeakPolarHBondContact O-CA 3.43Å; I95-T99 WeakPolarHBondContact O-CB 3.39Å; I95-T99 PolarHBondContact O-N 3.15Å; I95-T99 PolarHBondContact O-OG1 2.96Å |
| 96 | L | 89.8 | Confident | 92 | Very high | 93 Ų | 93 | 99.1 Ų | 99.1 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | I | π-helix | trans | -60.8 | -45.8 | 177.7 | -78.2 | 162 | 0 | 0 | 0 | 111.5 | A92 L93 H100 L101 | A92-L96 WeakPolarHBondContact O-CG 3.4Å; A92-L96 PolarHBondContact O-N 2.91Å; L93-L96 PolarHBondContact O-N 3.33Å; L93-L96 VanDerWaalsContact O-N 3.14Å; L96-H100 WeakPolarHBondContact O-CB 3.36Å; L96-H100 PolarHBondContact O-N 2.99Å; L96-L101 PolarHBondContact O-N 3Å; L96-L101 VanDerWaalsContact O-N 3.11Å |
| 97 | E | 85.5 | Confident | 92 | Very high | 123 Ų | 123 | 99.5 Ų | 99.5 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | I | π-helix | trans | -70.5 | -50.6 | -177.9 | -171.7 | 169.4 | -161.7 | 0 | 0 | 111.7 | L93 L101 | L93-E97 WeakPolarHBondContact O-CB 3.25Å; L93-E97 PolarHBondContact O-N 3.23Å; E97-L101 HydrophobicContact CG-CD1 4.27Å; E97-L101 WeakPolarHBondContact O-CB 3.37Å |
| 98 | N | 89.4 | Confident | 92 | Very high | 103 Ų | 103 | 99.2 Ų | 99.2 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | I | π-helix | trans | -80.5 | -27.3 | -173 | -67.4 | -61.9 | 0 | 0 | 0 | 113.9 | D94 R102 | D94-N98 VanDerWaalsContact O-CB 3.24Å; D94-N98 WeakPolarHBondContact O-CB 3.45Å; D94-N98 PolarHBondContact O-N 2.96Å; D94-N98 PolarHBondContact O-ND2 3.31Å; N98-R102 VanDerWaalsContact O-CB 3.23Å; N98-R102 WeakPolarHBondContact O-CB 3.37Å |
| 99 | T | 91 | Very high | 91.9 | Very high | 64 Ų | 64 | 99.2 Ų | 99.2 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | I | π-helix | trans | -104.9 | -54.6 | -175.1 | -45.9 | 0 | 0 | 0 | 0 | 111.5 | I95 N103 | I95-T99 WeakPolarHBondContact O-CA 3.43Å; I95-T99 WeakPolarHBondContact O-CB 3.39Å; I95-T99 PolarHBondContact O-N 3.15Å; I95-T99 PolarHBondContact O-OG1 2.96Å; T99-N103 WeakPolarHBondContact O-CB 3.34Å; T99-N103 PolarHBondContact O-N 3.44Å; T99-N103 PolarHBondContact O-ND2 3.44Å; T99-N103 PolarHBondContact O-OD1 3.43Å |
| 100 | H | 89 | Confident | 91.9 | Very high | 97 Ų | 97 | 94.9 Ų | 94.9 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | I | π-helix | trans | -74.8 | -47.3 | -172.1 | -74.4 | -56.5 | 0 | 0 | 0 | 112.6 | L96 R102 N103 Q104 | L96-H100 WeakPolarHBondContact O-CB 3.36Å; L96-H100 PolarHBondContact O-N 2.99Å; H100-R102 VanDerWaalsContact C-N 3.27Å; H100-R102 PolarHBondContact O-N 3.43Å; H100-N103 PolarHBondContact O-N 2.99Å; H100-Q104 WeakPolarHBondContact O-CB 3.46Å; H100-Q104 WeakPolarHBondContact O-CG 3.2Å; H100-Q104 PolarHBondContact O-N 3.29Å |
| 101 | L | 87.7 | Confident | 92 | Very high | 96 Ų | 96 | 96.2 Ų | 96.2 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | I | π-helix | trans | -63.9 | -36 | 177 | -66.4 | 178.3 | 0 | 0 | 0 | 111.8 | L96 E97 S105 | L96-L101 PolarHBondContact O-N 3Å; L96-L101 VanDerWaalsContact O-N 3.11Å; E97-L101 HydrophobicContact CG-CD1 4.27Å; E97-L101 WeakPolarHBondContact O-CB 3.37Å; L101-S105 WeakPolarHBondContact O-CB 3.3Å; L101-S105 PolarHBondContact O-N 3.47Å; L101-S105 PolarHBondContact O-OG 3.4Å |
| 102 | R | 90.4 | Very high | 92 | Very high | 160 Ų | 160 | 94.6 Ų | 94.6 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -51 | 174.6 | -176.2 | 177.2 | 176.7 | 159.5 | 1.8 | 111.8 | N98 H100 Q104 S105 E106 | N98-R102 VanDerWaalsContact O-CB 3.23Å; N98-R102 WeakPolarHBondContact O-CB 3.37Å; H100-R102 VanDerWaalsContact C-N 3.27Å; H100-R102 PolarHBondContact O-N 3.43Å; R102-Q104 VanDerWaalsContact C-N 3.32Å; R102-Q104 PolarHBondContact O-N 2.93Å; R102-S105 WeakPolarHBondContact O-CB 3.31Å; R102-S105 PolarHBondContact O-N 2.98Å; R102-S105 VanDerWaalsContact O-N 3.15Å; R102-E106 WeakPolarHBondContact CG-OE1 3.48Å; R102-E106 IonicContact CZ-OE1 3.51Å; R102-E106 IonicContact NE-OE1 3.87Å; R102-E106 PolarHBondContact NE-OE1 3.05Å; R102-E106 IonicContact NH2-OE1 2.65Å; R102-E106 WeakPolarHBondContact O-CG 3.48Å; R102-E106 PolarHBondContact O-N 3.3Å |
| 103 | N | 92.4 | Very high | 91.9 | Very high | 84 Ų | 84 | 99 Ų | 99 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 178.8 | -70.3 | -10.7 | 0 | 0 | 0 | 111.8 | T99 H100 S105 E106 E107 | T99-N103 WeakPolarHBondContact O-CB 3.34Å; T99-N103 PolarHBondContact O-N 3.44Å; T99-N103 PolarHBondContact O-ND2 3.44Å; T99-N103 PolarHBondContact O-OD1 3.43Å; H100-N103 PolarHBondContact O-N 2.99Å; N103-S105 VanDerWaalsContact C-N 3.35Å; N103-E106 PolarHBondContact O-N 3.28Å; N103-E107 WeakPolarHBondContact O-CB 3.45Å; N103-E107 PolarHBondContact O-N 3.49Å |
| 104 | Q | 92.2 | Very high | 92 | Very high | 111 Ų | 111 | 99.1 Ų | 99.1 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 176.2 | -73.7 | -178.1 | -26.5 | 0 | 0 | 112.1 | H100 R102 E107 I108 | H100-Q104 WeakPolarHBondContact O-CB 3.46Å; H100-Q104 WeakPolarHBondContact O-CG 3.2Å; H100-Q104 PolarHBondContact O-N 3.29Å; R102-Q104 VanDerWaalsContact C-N 3.32Å; R102-Q104 PolarHBondContact O-N 2.93Å; Q104-E107 PolarHBondContact O-N 2.96Å; Q104-I108 WeakPolarHBondContact O-CB 3.34Å; Q104-I108 VanDerWaalsContact O-CG1 3.25Å; Q104-I108 WeakPolarHBondContact O-CG1 3.33Å; Q104-I108 PolarHBondContact O-N 3.06Å |
| 105 | S | 93.3 | Very high | 91.9 | Very high | 64 Ų | 64 | 99.6 Ų | 99.6 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | L101 R102 N103 I108 I109 | L101-S105 WeakPolarHBondContact O-CB 3.3Å; L101-S105 PolarHBondContact O-N 3.47Å; L101-S105 PolarHBondContact O-OG 3.4Å; R102-S105 WeakPolarHBondContact O-CB 3.31Å; R102-S105 PolarHBondContact O-N 2.98Å; R102-S105 VanDerWaalsContact O-N 3.15Å; N103-S105 VanDerWaalsContact C-N 3.35Å; S105-I108 PolarHBondContact O-N 3.06Å; S105-I109 WeakPolarHBondContact O-CD1 3.34Å; S105-I109 VanDerWaalsContact O-CG1 3.26Å; S105-I109 WeakPolarHBondContact O-CG1 3.29Å; S105-I109 PolarHBondContact O-N 3.41Å; S105-I109 VanDerWaalsContact O-N 3.08Å |
| 106 | E | 93.9 | Very high | 91.8 | Very high | 100 Ų | 100 | 99.3 Ų | 99.3 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.6 | -70.5 | 176.2 | -169.1 | 0 | 0 | 111.7 | R102 N103 I109 S110 | R102-E106 WeakPolarHBondContact CG-OE1 3.48Å; R102-E106 IonicContact CZ-OE1 3.51Å; R102-E106 IonicContact NE-OE1 3.87Å; R102-E106 PolarHBondContact NE-OE1 3.05Å; R102-E106 IonicContact NH2-OE1 2.65Å; R102-E106 WeakPolarHBondContact O-CG 3.48Å; R102-E106 PolarHBondContact O-N 3.3Å; N103-E106 PolarHBondContact O-N 3.28Å; E106-I109 PolarHBondContact O-N 3.23Å; E106-S110 PolarHBondContact O-N 3.44Å |
| 107 | E | 95.2 | Very high | 91.9 | Very high | 121 Ų | 121 | 99.2 Ų | 99.2 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -45.6 | 175.5 | -174.6 | 176.6 | -169.2 | 0 | 0 | 112.2 | N103 Q104 I109 S110 L111 | N103-E107 WeakPolarHBondContact O-CB 3.45Å; N103-E107 PolarHBondContact O-N 3.49Å; Q104-E107 PolarHBondContact O-N 2.96Å; E107-I109 VanDerWaalsContact C-N 3.29Å; E107-I109 PolarHBondContact O-N 3.38Å; E107-S110 WeakPolarHBondContact O-CB 3.44Å; E107-S110 PolarHBondContact O-N 3.28Å; E107-S110 VanDerWaalsContact O-N 3.11Å; E107-L111 HydrophobicContact CG-CD1 4.18Å; E107-L111 WeakPolarHBondContact O-CG 3.47Å; E107-L111 PolarHBondContact O-N 3.4Å |
| 108 | I | 93.7 | Very high | 91.9 | Very high | 92 Ų | 92 | 95.5 Ų | 95.5 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.2 | -43.7 | 175.5 | -71.4 | 165.5 | 0 | 0 | 0 | 110.5 | Q104 S105 S110 L111 Q112 | Q104-I108 WeakPolarHBondContact O-CB 3.34Å; Q104-I108 VanDerWaalsContact O-CG1 3.25Å; Q104-I108 WeakPolarHBondContact O-CG1 3.33Å; Q104-I108 PolarHBondContact O-N 3.06Å; S105-I108 PolarHBondContact O-N 3.06Å; I108-S110 VanDerWaalsContact C-N 3.33Å; I108-S110 PolarHBondContact O-N 3.38Å; I108-L111 PolarHBondContact O-N 3.26Å; I108-Q112 HydrophobicContact CG2-CG 4.37Å; I108-Q112 WeakPolarHBondContact O-CB 3.5Å; I108-Q112 VanDerWaalsContact O-CG 3.25Å; I108-Q112 WeakPolarHBondContact O-CG 3.42Å; I108-Q112 PolarHBondContact O-N 3.45Å |
| 109 | I | 94 | Very high | 91.5 | Very high | 86 Ų | 86 | 98.3 Ų | 98.3 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.3 | -68.7 | 165.4 | 0 | 0 | 0 | 110.9 | S105 E106 E107 K113 | S105-I109 WeakPolarHBondContact O-CD1 3.34Å; S105-I109 VanDerWaalsContact O-CG1 3.26Å; S105-I109 WeakPolarHBondContact O-CG1 3.29Å; S105-I109 PolarHBondContact O-N 3.41Å; S105-I109 VanDerWaalsContact O-N 3.08Å; E106-I109 PolarHBondContact O-N 3.23Å; E107-I109 VanDerWaalsContact C-N 3.29Å; E107-I109 PolarHBondContact O-N 3.38Å; I109-K113 WeakPolarHBondContact O-CG 3.37Å; I109-K113 PolarHBondContact O-N 3.42Å; I109-K113 VanDerWaalsContact O-N 3.12Å |
| 110 | S | 95.1 | Very high | 91 | Very high | 55 Ų | 55 | 100.5 Ų | 100.5 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -50.5 | 175.8 | -165.6 | 0 | 0 | 0 | 0 | 111.5 | E106 E107 I108 Q112 K113 E114 | E106-S110 PolarHBondContact O-N 3.44Å; E107-S110 WeakPolarHBondContact O-CB 3.44Å; E107-S110 PolarHBondContact O-N 3.28Å; E107-S110 VanDerWaalsContact O-N 3.11Å; I108-S110 VanDerWaalsContact C-N 3.33Å; I108-S110 PolarHBondContact O-N 3.38Å; S110-Q112 VanDerWaalsContact C-N 3.3Å; S110-Q112 PolarHBondContact O-N 2.91Å; S110-K113 WeakPolarHBondContact O-CB 3.47Å; S110-K113 PolarHBondContact O-N 3.39Å; S110-K113 VanDerWaalsContact O-N 3.09Å; S110-E114 PolarHBondContact O-N 3.03Å; S110-E114 PolarHBondContact OG-OE1 3.07Å |
| 111 | L | 94.5 | Very high | 90.6 | Very high | 92 Ų | 92 | 101.6 Ų | 101.6 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 179.5 | -70.3 | 172.5 | 0 | 0 | 0 | 112 | E107 I108 E114 L115 | E107-L111 HydrophobicContact CG-CD1 4.18Å; E107-L111 WeakPolarHBondContact O-CG 3.47Å; E107-L111 PolarHBondContact O-N 3.4Å; I108-L111 PolarHBondContact O-N 3.26Å; L111-E114 PolarHBondContact O-N 2.98Å; L111-L115 VanDerWaalsContact O-CB 3.23Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 PolarHBondContact O-N 3.11Å |
| 112 | Q | 94 | Very high | 90.1 | Very high | 114 Ų | 114 | 102.8 Ų | 102.8 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 174.3 | -76.9 | 175.6 | -6.6 | 0 | 0 | 112.4 | I108 S110 N116 | I108-Q112 HydrophobicContact CG2-CG 4.37Å; I108-Q112 WeakPolarHBondContact O-CB 3.5Å; I108-Q112 VanDerWaalsContact O-CG 3.25Å; I108-Q112 WeakPolarHBondContact O-CG 3.42Å; I108-Q112 PolarHBondContact O-N 3.45Å; S110-Q112 VanDerWaalsContact C-N 3.3Å; S110-Q112 PolarHBondContact O-N 2.91Å; Q112-N116 WeakPolarHBondContact O-CB 3.43Å; Q112-N116 PolarHBondContact O-N 2.95Å; Q112-N116 PolarHBondContact O-ND2 3.48Å |
| 113 | K | 93.5 | Very high | 89.4 | Confident | 137 Ų | 137 | 102.5 Ų | 102.5 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -45.4 | 174.3 | -73.5 | 175.7 | -178.6 | 177.3 | 0 | 111.4 | I109 S110 L115 N116 N117 | I109-K113 WeakPolarHBondContact O-CG 3.37Å; I109-K113 PolarHBondContact O-N 3.42Å; I109-K113 VanDerWaalsContact O-N 3.12Å; S110-K113 WeakPolarHBondContact O-CB 3.47Å; S110-K113 PolarHBondContact O-N 3.39Å; S110-K113 VanDerWaalsContact O-N 3.09Å; K113-L115 VanDerWaalsContact C-N 3.34Å; K113-L115 PolarHBondContact O-N 3.05Å; K113-N116 PolarHBondContact O-N 2.97Å; K113-N117 VanDerWaalsContact O-CG 3.31Å; K113-N117 PolarHBondContact O-N 3.27Å |
| 114 | E | 93.3 | Very high | 88.5 | Confident | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.6 | -72.6 | 172.2 | -150.1 | 0 | 0 | 111.8 | S110 L111 N117 A118 | S110-E114 PolarHBondContact O-N 3.03Å; S110-E114 PolarHBondContact OG-OE1 3.07Å; L111-E114 PolarHBondContact O-N 2.98Å; E114-N117 PolarHBondContact O-N 3.24Å; E114-A118 WeakPolarHBondContact O-CB 3.33Å; E114-A118 PolarHBondContact O-N 2.95Å |
| 115 | L | 89.8 | Confident | 87.3 | Confident | 90 Ų | 90 | 108 Ų | 108 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 178.4 | -167.2 | 149.6 | 0 | 0 | 0 | 111.8 | L111 K113 A118 R119 | L111-L115 VanDerWaalsContact O-CB 3.23Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 PolarHBondContact O-N 3.11Å; K113-L115 VanDerWaalsContact C-N 3.34Å; K113-L115 PolarHBondContact O-N 3.05Å; L115-A118 PolarHBondContact O-N 3.4Å; L115-R119 HydrophobicContact CD2-CG 4.32Å; L115-R119 VanDerWaalsContact CD2-CZ 3.4Å; L115-R119 VanDerWaalsContact CD2-NE 3.32Å; L115-R119 WeakPolarHBondContact O-CG 3.36Å; L115-R119 PolarHBondContact O-N 2.97Å |
| 116 | N | 90.6 | Very high | 85.4 | Confident | 90 Ų | 90 | 107.6 Ų | 107.6 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 173.7 | -79.5 | -22.3 | 0 | 0 | 0 | 112.3 | Q112 K113 R119 M120 | Q112-N116 WeakPolarHBondContact O-CB 3.43Å; Q112-N116 PolarHBondContact O-N 2.95Å; Q112-N116 PolarHBondContact O-ND2 3.48Å; K113-N116 PolarHBondContact O-N 2.97Å; N116-R119 PolarHBondContact O-N 3.44Å; N116-M120 PolarHBondContact O-N 3.46Å |
| 117 | N | 91 | Very high | 82.8 | Confident | 92 Ų | 92 | 104.8 Ų | 104.8 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 175 | -73.5 | -17 | 0 | 0 | 0 | 111.7 | K113 E114 R119 M120 Q121 | K113-N117 VanDerWaalsContact O-CG 3.31Å; K113-N117 PolarHBondContact O-N 3.27Å; E114-N117 PolarHBondContact O-N 3.24Å; N117-R119 VanDerWaalsContact C-N 3.32Å; N117-R119 PolarHBondContact O-N 2.96Å; N117-M120 PolarHBondContact O-N 3Å; N117-Q121 WeakPolarHBondContact O-CG 3.41Å; N117-Q121 PolarHBondContact O-N 3.15Å |
| 118 | A | 85.3 | Confident | 80.2 | Confident | 45 Ų | 45 | 105.4 Ų | 105.4 | 37% | 0.372 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.6 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E114 L115 Q121 I122 | E114-A118 WeakPolarHBondContact O-CB 3.33Å; E114-A118 PolarHBondContact O-N 2.95Å; L115-A118 PolarHBondContact O-N 3.4Å; A118-Q121 PolarHBondContact O-N 3.25Å; A118-I122 VanDerWaalsContact O-CG1 3.3Å; A118-I122 WeakPolarHBondContact O-CG1 3.48Å; A118-I122 PolarHBondContact O-N 3.41Å |
| 119 | R | 81.7 | Confident | 77.8 | Confident | 161 Ų | 161 | 109 Ų | 109 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.2 | -45.7 | 173.8 | -78.2 | 177.5 | 174.6 | 174.3 | -0.1 | 112.2 | L115 N116 N117 Q121 I122 E123 | L115-R119 HydrophobicContact CD2-CG 4.32Å; L115-R119 VanDerWaalsContact CD2-CZ 3.4Å; L115-R119 VanDerWaalsContact CD2-NE 3.32Å; L115-R119 WeakPolarHBondContact O-CG 3.36Å; L115-R119 PolarHBondContact O-N 2.97Å; N116-R119 PolarHBondContact O-N 3.44Å; N117-R119 VanDerWaalsContact C-N 3.32Å; N117-R119 PolarHBondContact O-N 2.96Å; R119-Q121 PolarHBondContact O-N 2.92Å; R119-I122 PolarHBondContact O-N 2.95Å; R119-E123 PolarHBondContact O-N 3.26Å |
| 120 | M | 81.3 | Confident | 75 | Confident | 110 Ų | 110 | 113.6 Ų | 113.6 | 54% | 0.542 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.3 | -40.7 | 176.5 | -67 | -148.5 | -47 | 0 | 0 | 112.1 | N116 N117 I122 E123 E124 | N116-M120 PolarHBondContact O-N 3.46Å; N117-M120 PolarHBondContact O-N 3Å; M120-I122 VanDerWaalsContact C-N 3.33Å; M120-I122 PolarHBondContact O-N 3.49Å; M120-E123 WeakPolarHBondContact O-CB 3.26Å; M120-E123 PolarHBondContact O-N 3.22Å; M120-E123 VanDerWaalsContact O-N 3.17Å; M120-E124 WeakPolarHBondContact O-CG 3.49Å; M120-E124 PolarHBondContact O-N 3Å |
| 121 | Q | 80.5 | Confident | 72.2 | Confident | 121 Ų | 121 | 117 Ų | 117 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.8 | -39.1 | 175.9 | -73.7 | 177.7 | 8.4 | 0 | 0 | 112.5 | N117 A118 R119 E123 E124 L125 | N117-Q121 WeakPolarHBondContact O-CG 3.41Å; N117-Q121 PolarHBondContact O-N 3.15Å; A118-Q121 PolarHBondContact O-N 3.25Å; R119-Q121 PolarHBondContact O-N 2.92Å; Q121-E123 VanDerWaalsContact C-N 3.32Å; Q121-E124 PolarHBondContact O-N 3.44Å; Q121-L125 WeakPolarHBondContact O-CB 3.41Å; Q121-L125 VanDerWaalsContact O-CG 3.25Å; Q121-L125 WeakPolarHBondContact O-CG 2.85Å; Q121-L125 PolarHBondContact O-N 3.27Å |
| 122 | I | 76.8 | Confident | 69.3 | Low | 120 Ų | 120 | 116.3 Ų | 116.3 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.9 | -39.4 | 174.8 | -69.2 | 166.3 | 0 | 0 | 0 | 110.5 | A118 R119 M120 L125 G126 | A118-I122 VanDerWaalsContact O-CG1 3.3Å; A118-I122 WeakPolarHBondContact O-CG1 3.48Å; A118-I122 PolarHBondContact O-N 3.41Å; R119-I122 PolarHBondContact O-N 2.95Å; M120-I122 VanDerWaalsContact C-N 3.33Å; M120-I122 PolarHBondContact O-N 3.49Å; I122-L125 PolarHBondContact O-N 2.89Å; I122-G126 PolarHBondContact O-N 3.46Å |
| 123 | E | 75.2 | Confident | 66.6 | Low | 155 Ų | 155 | 117 Ų | 117 | 72% | 0.724 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.2 | -40 | 176.6 | -168.1 | 168.7 | -165 | 0 | 0 | 112 | R119 M120 Q121 G126 | R119-E123 PolarHBondContact O-N 3.26Å; M120-E123 WeakPolarHBondContact O-CB 3.26Å; M120-E123 PolarHBondContact O-N 3.22Å; M120-E123 VanDerWaalsContact O-N 3.17Å; Q121-E123 VanDerWaalsContact C-N 3.32Å; E123-G126 PolarHBondContact O-N 3.34Å |
| 124 | E | 73.4 | Confident | 63.9 | Low | 158 Ų | 158 | 119.7 Ų | 119.7 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.5 | -37.1 | 173.4 | -73.6 | -179.7 | 171.9 | 0 | 0 | 112.8 | M120 Q121 G126 | M120-E124 WeakPolarHBondContact O-CG 3.49Å; M120-E124 PolarHBondContact O-N 3Å; Q121-E124 PolarHBondContact O-N 3.44Å; E124-G126 VanDerWaalsContact C-N 3.33Å |
| 125 | L | 67.4 | Low | 61.4 | Low | 151 Ų | 151 | 122.4 Ų | 122.4 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -77.3 | -21.7 | 175.3 | -69.4 | 171.4 | 0 | 0 | 0 | 112.7 | Q121 I122 G127 | Q121-L125 WeakPolarHBondContact O-CB 3.41Å; Q121-L125 VanDerWaalsContact O-CG 3.25Å; Q121-L125 WeakPolarHBondContact O-CG 2.85Å; Q121-L125 PolarHBondContact O-N 3.27Å; I122-L125 PolarHBondContact O-N 2.89Å; L125-G127 PolarHBondContact O-N 3.33Å |
| 126 | G | 53.7 | Low | 59 | Low | 56 Ų | 56 | 129.2 Ų | 129.2 | 58% | 0.577 | 70% | 0.698 | S | S | * | * | trans | -74.4 | 52.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I122 E123 E124 | I122-G126 PolarHBondContact O-N 3.46Å; E123-G126 PolarHBondContact O-N 3.34Å; E124-G126 VanDerWaalsContact C-N 3.33Å | ||
| 127 | G | 37.9 | Very low | 57 | Low | 42 Ų | 42 | 127.2 Ų | 127.2 | 43% | 0.433 | 70% | 0.699 | S | S | . | * | trans | -58.1 | 151.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L125 I129 | L125-G127 PolarHBondContact O-N 3.33Å; G127-I129 PolarHBondContact O-N 2.99Å; G127-I129 VanDerWaalsContact O-N 3.13Å | ||
| 128 | P | 41.6 | Very low | 55.1 | Low | 134 Ų | 134 | 125.4 Ų | 125.4 | 87% | 0.87 | 69% | 0.693 | S | S | * | * | trans | -63.4 | 116.8 | -174.4 | 24.7 | -31.8 | 0 | 0 | 0 | 110.9 | E130 | P128-E130 PolarHBondContact O-N 3.06Š| ||
| 129 | I | 43.8 | Very low | 54.4 | Low | 168 Ų | 168 | 128.5 Ų | 128.5 | 86% | 0.862 | 71% | 0.709 | S | S | * | * | trans | -78.9 | 113 | 178.8 | -61.5 | 171.5 | 0 | 0 | 0 | 108.7 | G127 | G127-I129 PolarHBondContact O-N 2.99Å; G127-I129 VanDerWaalsContact O-N 3.13Å | ||
| 130 | E | 34.6 | Very low | 54.2 | Low | 181 Ų | 181 | 126.2 Ų | 126.2 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -69.1 | 151.5 | 171.8 | -101.2 | -151.9 | 160.3 | 0 | 0 | 113 | P128 | P128-E130 PolarHBondContact O-N 3.06Š| ||
| 131 | P | 35.3 | Very low | 54.1 | Low | 126 Ų | 126 | 126.6 Ų | 126.6 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -100 | 133.8 | -169.5 | 31.9 | -19.6 | 0 | 0 | 0 | 113.5 | ||||
| 132 | G | 34.6 | Very low | 54.2 | Low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 71% | 0.707 | S | S | * | * | trans | 125.8 | 87.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 133 | S | 38 | Very low | 54.7 | Low | 127 Ų | 127 | 125.4 Ų | 125.4 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | trans | -146.4 | 113.3 | 144 | 72.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 134 | K | 36.9 | Very low | 55.2 | Low | 195 Ų | 195 | 122 Ų | 122 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | trans | -96.1 | 148.6 | 174.9 | -65.7 | 178.1 | 175.4 | 174.9 | 0 | 107.1 | ||||
| 135 | L | 39.1 | Very low | 55.9 | Low | 170 Ų | 170 | 117.7 Ų | 117.7 | 89% | 0.89 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 83.4 | 53.1 | 156 | -55.3 | 155.1 | 0 | 0 | 0 | 118.3 | ||
| 136 | R | 41.1 | Very low | 57 | Low | 232 Ų | 232 | 114.3 Ų | 114.3 | 88% | 0.875 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -171.7 | 130.2 | 134 | -115 | 176.3 | 177.2 | -150.7 | -1 | 104.2 | S138 | R136-S138 PolarHBondContact O-N 3.37Š|
| 137 | G | 47 | Very low | 58.9 | Low | 49 Ų | 49 | 115.7 Ų | 115.7 | 51% | 0.505 | 65% | 0.649 | S | S | . | * | trans | -58.8 | 98.4 | 174 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 138 | S | 52.9 | Low | 61.6 | Low | 53 Ų | 53 | 119.2 Ų | 119.2 | 37% | 0.371 | 65% | 0.652 | S | S | . | * | trans | -55.8 | 152.9 | 167 | 51.2 | 0 | 0 | 0 | 0 | 106.5 | R136 L140 K141 I142 | R136-S138 PolarHBondContact O-N 3.37Å; S138-L140 CarbonylContact O-C 3.59Å; S138-L140 PolarHBondContact O-N 3.5Å; S138-K141 PolarHBondContact O-N 3.17Å; S138-K141 PolarHBondContact OG-N 2.94Å; S138-K141 VanDerWaalsContact OG-N 3.13Å; S138-I142 PolarHBondContact O-N 3.04Å | ||
| 139 | P | 69.8 | Low | 64.1 | Low | 110 Ų | 110 | 119.7 Ų | 119.7 | 71% | 0.714 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -44.3 | -37.5 | 168.4 | -28.7 | 35.3 | 0 | 0 | 0 | 111.3 | I142 E143 | P139-I142 PolarHBondContact O-N 3.4Å; P139-E143 VanDerWaalsContact O-CB 3.32Å; P139-E143 WeakPolarHBondContact O-CB 3.43Å; P139-E143 PolarHBondContact O-N 2.96Å |
| 140 | L | 76.9 | Confident | 66.5 | Low | 113 Ų | 113 | 115.6 Ų | 115.6 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60.5 | -40.3 | 172 | -65.3 | 169.4 | 0 | 0 | 0 | 114.7 | S138 E143 I144 | S138-L140 CarbonylContact O-C 3.59Å; S138-L140 PolarHBondContact O-N 3.5Å; L140-E143 PolarHBondContact O-N 3.43Å; L140-I144 WeakPolarHBondContact O-CB 3.41Å; L140-I144 WeakPolarHBondContact O-CD1 3.44Å; L140-I144 WeakPolarHBondContact O-CG1 3.37Å; L140-I144 PolarHBondContact O-N 2.99Å |
| 141 | K | 80.5 | Confident | 69.4 | Low | 118 Ų | 118 | 111.8 Ų | 111.8 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.6 | -39.5 | 177.4 | -177.5 | 161 | -178.6 | 169.1 | 0 | 112.1 | S138 E143 I144 D145 | S138-K141 PolarHBondContact O-N 3.17Å; S138-K141 PolarHBondContact OG-N 2.94Å; S138-K141 VanDerWaalsContact OG-N 3.13Å; K141-E143 VanDerWaalsContact C-N 3.29Å; K141-I144 PolarHBondContact O-N 3.21Å; K141-D145 WeakPolarHBondContact O-CB 3.33Å; K141-D145 VanDerWaalsContact O-CG 3.29Å; K141-D145 PolarHBondContact O-N 3.42Å |
| 142 | I | 82.2 | Confident | 72.3 | Confident | 108 Ų | 108 | 110.1 Ų | 110.1 | 55% | 0.554 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.8 | -40.8 | 174.2 | -62.5 | 173.5 | 0 | 0 | 0 | 109.9 | S138 P139 D145 T146 | S138-I142 PolarHBondContact O-N 3.04Å; P139-I142 PolarHBondContact O-N 3.4Å; I142-D145 PolarHBondContact O-N 2.74Å; I142-T146 WeakPolarHBondContact O-CB 3.44Å; I142-T146 PolarHBondContact O-N 2.91Å; I142-T146 PolarHBondContact O-OG1 3.25Å |
| 143 | E | 86.7 | Confident | 75.2 | Confident | 108 Ų | 108 | 113.6 Ų | 113.6 | 51% | 0.505 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.3 | -45.3 | 174.7 | -171.7 | 171.2 | -163.4 | 0 | 0 | 111.6 | P139 L140 K141 D145 T146 L147 | P139-E143 VanDerWaalsContact O-CB 3.32Å; P139-E143 WeakPolarHBondContact O-CB 3.43Å; P139-E143 PolarHBondContact O-N 2.96Å; L140-E143 PolarHBondContact O-N 3.43Å; K141-E143 VanDerWaalsContact C-N 3.29Å; E143-D145 PolarHBondContact O-N 2.96Å; E143-T146 CarbonylContact O-C 3.59Å; E143-T146 WeakPolarHBondContact O-CB 3.37Å; E143-T146 PolarHBondContact O-N 3.45Å; E143-L147 HydrophobicContact CG-CD1 4.17Å; E143-L147 HydrophobicContact CG-CG 4.5Å; E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 VanDerWaalsContact O-CG 3.32Å; E143-L147 WeakPolarHBondContact O-CG 3.45Å; E143-L147 PolarHBondContact O-N 3.48Å |
| 144 | I | 85.8 | Confident | 77.9 | Confident | 83 Ų | 83 | 115 Ų | 115 | 43% | 0.426 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.5 | -45.8 | 173.8 | -73.3 | 164 | 0 | 0 | 0 | 111.1 | L140 K141 T146 L147 K148 | L140-I144 WeakPolarHBondContact O-CB 3.41Å; L140-I144 WeakPolarHBondContact O-CD1 3.44Å; L140-I144 WeakPolarHBondContact O-CG1 3.37Å; L140-I144 PolarHBondContact O-N 2.99Å; K141-I144 PolarHBondContact O-N 3.21Å; I144-T146 VanDerWaalsContact C-N 3.28Å; I144-T146 PolarHBondContact O-N 3.45Å; I144-L147 PolarHBondContact O-N 3.44Å; I144-K148 HydrophobicContact CG2-CD 4.07Å; I144-K148 HydrophobicContact CG2-CG 4.4Å; I144-K148 WeakPolarHBondContact O-CB 3.34Å; I144-K148 VanDerWaalsContact O-CG 3.27Å; I144-K148 WeakPolarHBondContact O-CG 3.49Å; I144-K148 PolarHBondContact O-N 3.48Å |
| 145 | D | 87.6 | Confident | 80.7 | Confident | 69 Ų | 69 | 110.7 Ų | 110.7 | 37% | 0.369 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.6 | -31.7 | 179.1 | -70.7 | -23.2 | 0 | 0 | 0 | 111.3 | K141 I142 E143 K149 | K141-D145 WeakPolarHBondContact O-CB 3.33Å; K141-D145 VanDerWaalsContact O-CG 3.29Å; K141-D145 PolarHBondContact O-N 3.42Å; I142-D145 PolarHBondContact O-N 2.74Å; E143-D145 PolarHBondContact O-N 2.96Å; D145-K149 VanDerWaalsContact O-CG 3.32Å; D145-K149 WeakPolarHBondContact O-CG 3.39Å; D145-K149 PolarHBondContact O-N 3.02Å; D145-K149 VanDerWaalsContact O-N 3.12Å |
| 146 | T | 91.8 | Very high | 83.4 | Confident | 79 Ų | 79 | 107.1 Ų | 107.1 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -49.2 | 172.4 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | I142 E143 I144 K148 K149 E150 | I142-T146 WeakPolarHBondContact O-CB 3.44Å; I142-T146 PolarHBondContact O-N 2.91Å; I142-T146 PolarHBondContact O-OG1 3.25Å; E143-T146 CarbonylContact O-C 3.59Å; E143-T146 WeakPolarHBondContact O-CB 3.37Å; E143-T146 PolarHBondContact O-N 3.45Å; I144-T146 VanDerWaalsContact C-N 3.28Å; I144-T146 PolarHBondContact O-N 3.45Å; T146-K148 VanDerWaalsContact C-N 3.34Å; T146-K148 PolarHBondContact O-N 2.93Å; T146-K149 WeakPolarHBondContact O-CB 3.31Å; T146-K149 PolarHBondContact O-N 3.24Å; T146-E150 PolarHBondContact O-N 2.95Å |
| 147 | L | 93.3 | Very high | 86.1 | Confident | 85 Ų | 85 | 98.3 Ų | 98.3 | 45% | 0.445 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.6 | -73.1 | 172.7 | 0 | 0 | 0 | 111.3 | E143 I144 E150 I151 | E143-L147 HydrophobicContact CG-CD1 4.17Å; E143-L147 HydrophobicContact CG-CG 4.5Å; E143-L147 WeakPolarHBondContact O-CB 3.47Å; E143-L147 VanDerWaalsContact O-CG 3.32Å; E143-L147 WeakPolarHBondContact O-CG 3.45Å; E143-L147 PolarHBondContact O-N 3.48Å; I144-L147 PolarHBondContact O-N 3.44Å; L147-E150 CarbonylContact O-C 3.59Å; L147-E150 PolarHBondContact O-N 2.99Å; L147-I151 WeakPolarHBondContact O-CB 3.46Å; L147-I151 VanDerWaalsContact O-CG1 3.25Å; L147-I151 WeakPolarHBondContact O-CG1 3.27Å; L147-I151 PolarHBondContact O-N 3.37Å |
| 148 | K | 94.1 | Very high | 88.4 | Confident | 117 Ų | 117 | 101.4 Ų | 101.4 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 173.2 | -79.1 | 176.9 | 178.2 | -179.4 | 0 | 112.1 | I144 T146 E150 I151 N152 | I144-K148 HydrophobicContact CG2-CD 4.07Å; I144-K148 HydrophobicContact CG2-CG 4.4Å; I144-K148 WeakPolarHBondContact O-CB 3.34Å; I144-K148 VanDerWaalsContact O-CG 3.27Å; I144-K148 WeakPolarHBondContact O-CG 3.49Å; I144-K148 PolarHBondContact O-N 3.48Å; T146-K148 VanDerWaalsContact C-N 3.34Å; T146-K148 PolarHBondContact O-N 2.93Å; K148-E150 VanDerWaalsContact C-N 3.28Å; K148-E150 PolarHBondContact O-N 3.47Å; K148-I151 PolarHBondContact O-N 3.22Å; K148-N152 WeakPolarHBondContact O-CB 3.48Å; K148-N152 VanDerWaalsContact O-CG 3.24Å; K148-N152 PolarHBondContact O-N 3.27Å; K148-N152 PolarHBondContact O-OD1 2.83Å |
| 149 | K | 94 | Very high | 90.4 | Very high | 144 Ų | 144 | 102.1 Ų | 102.1 | 63% | 0.626 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -37.6 | 174.5 | -75.3 | 174.6 | -176.2 | 177.7 | 0 | 111.6 | D145 T146 K153 | D145-K149 VanDerWaalsContact O-CG 3.32Å; D145-K149 WeakPolarHBondContact O-CG 3.39Å; D145-K149 PolarHBondContact O-N 3.02Å; D145-K149 VanDerWaalsContact O-N 3.12Å; T146-K149 WeakPolarHBondContact O-CB 3.31Å; T146-K149 PolarHBondContact O-N 3.24Å; K149-K153 WeakPolarHBondContact O-CB 3.43Å; K149-K153 VanDerWaalsContact O-CG 3.28Å; K149-K153 WeakPolarHBondContact O-CG 3.29Å; K149-K153 PolarHBondContact O-N 2.91Å |
| 150 | E | 94.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 104.5 Ų | 104.5 | 38% | 0.379 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.2 | -42.6 | 176.8 | -166.1 | 179.4 | 166.4 | 0 | 0 | 112.2 | T146 L147 K148 K153 R154 | T146-E150 PolarHBondContact O-N 2.95Å; L147-E150 CarbonylContact O-C 3.59Å; L147-E150 PolarHBondContact O-N 2.99Å; K148-E150 VanDerWaalsContact C-N 3.28Å; K148-E150 PolarHBondContact O-N 3.47Å; E150-K153 PolarHBondContact O-N 3.01Å; E150-R154 WeakPolarHBondContact O-CB 3.38Å; E150-R154 WeakPolarHBondContact O-CG 3.46Å; E150-R154 PolarHBondContact O-N 3.31Å; E150-R154 IonicContact OE1-CZ 2.68Å; E150-R154 IonicContact OE1-NE 3.76Å; E150-R154 PolarHBondContact OE1-NE 3.5Å; E150-R154 IonicContact OE1-NH2 2.7Å; E150-R154 PolarHBondContact OE1-NH2 3.05Å |
| 151 | I | 95.3 | Very high | 92.5 | Very high | 101 Ų | 101 | 104.3 Ų | 104.3 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.5 | -51.3 | 173.3 | -72.9 | 166.3 | 0 | 0 | 0 | 109.7 | L147 K148 K153 R154 E155 | L147-I151 WeakPolarHBondContact O-CB 3.46Å; L147-I151 VanDerWaalsContact O-CG1 3.25Å; L147-I151 WeakPolarHBondContact O-CG1 3.27Å; L147-I151 PolarHBondContact O-N 3.37Å; K148-I151 PolarHBondContact O-N 3.22Å; I151-K153 VanDerWaalsContact C-N 3.3Å; I151-K153 PolarHBondContact O-N 3Å; I151-R154 CarbonylContact O-C 3.58Å; I151-R154 PolarHBondContact O-N 3.03Å; I151-R154 VanDerWaalsContact O-N 3.08Å; I151-E155 WeakPolarHBondContact O-CB 3.48Å; I151-E155 PolarHBondContact O-N 3.44Å |
| 152 | N | 95.5 | Very high | 93.2 | Very high | 91 Ų | 91 | 103.8 Ų | 103.8 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -41.1 | 178.1 | -69.5 | -1.2 | 0 | 0 | 0 | 111.7 | K148 E155 D156 | K148-N152 WeakPolarHBondContact O-CB 3.48Å; K148-N152 VanDerWaalsContact O-CG 3.24Å; K148-N152 PolarHBondContact O-N 3.27Å; K148-N152 PolarHBondContact O-OD1 2.83Å; N152-E155 PolarHBondContact O-N 3.03Å; N152-D156 WeakPolarHBondContact O-CB 3.46Å; N152-D156 VanDerWaalsContact O-CG 3.29Å; N152-D156 PolarHBondContact O-N 3.38Å |
| 153 | K | 95.7 | Very high | 93.8 | Very high | 153 Ų | 153 | 105.4 Ų | 105.4 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 175.1 | -77.2 | 176.6 | -179 | -175.6 | 0 | 112.6 | K149 E150 I151 A157 | K149-K153 WeakPolarHBondContact O-CB 3.43Å; K149-K153 VanDerWaalsContact O-CG 3.28Å; K149-K153 WeakPolarHBondContact O-CG 3.29Å; K149-K153 PolarHBondContact O-N 2.91Å; E150-K153 PolarHBondContact O-N 3.01Å; I151-K153 VanDerWaalsContact C-N 3.3Å; I151-K153 PolarHBondContact O-N 3Å; K153-A157 WeakPolarHBondContact O-CB 3.46Å; K153-A157 PolarHBondContact O-N 3.5Å |
| 154 | R | 95.7 | Very high | 94.1 | Very high | 157 Ų | 157 | 104.9 Ų | 104.9 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.6 | -36.9 | 177.4 | -72.2 | -177.2 | -174.9 | -151.8 | 5.3 | 111.2 | E150 I151 A157 L158 | E150-R154 WeakPolarHBondContact O-CB 3.38Å; E150-R154 WeakPolarHBondContact O-CG 3.46Å; E150-R154 PolarHBondContact O-N 3.31Å; E150-R154 IonicContact OE1-CZ 2.68Å; E150-R154 IonicContact OE1-NE 3.76Å; E150-R154 PolarHBondContact OE1-NE 3.5Å; E150-R154 IonicContact OE1-NH2 2.7Å; E150-R154 PolarHBondContact OE1-NH2 3.05Å; I151-R154 CarbonylContact O-C 3.58Å; I151-R154 PolarHBondContact O-N 3.03Å; I151-R154 VanDerWaalsContact O-N 3.08Å; R154-A157 PolarHBondContact O-N 3.48Å; R154-L158 WeakPolarHBondContact O-CB 3.32Å; R154-L158 WeakPolarHBondContact O-CG 3.3Å; R154-L158 PolarHBondContact O-N 2.89Å |
| 155 | E | 96 | Very high | 94.5 | Very high | 104 Ų | 104 | 103.9 Ų | 103.9 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 174.3 | -168.6 | 168.8 | -168 | 0 | 0 | 111.1 | I151 N152 A157 L158 N159 | I151-E155 WeakPolarHBondContact O-CB 3.48Å; I151-E155 PolarHBondContact O-N 3.44Å; N152-E155 PolarHBondContact O-N 3.03Å; E155-A157 VanDerWaalsContact C-N 3.29Å; E155-A157 PolarHBondContact O-N 2.93Å; E155-L158 PolarHBondContact O-N 3.29Å; E155-N159 WeakPolarHBondContact O-CB 3.23Å; E155-N159 PolarHBondContact O-N 3.49Å; E155-N159 PolarHBondContact O-ND2 3.13Å |
| 156 | D | 95.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 105.1 Ų | 105.1 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 171.2 | -76 | -25.9 | 0 | 0 | 0 | 112.2 | N152 R160 | N152-D156 WeakPolarHBondContact O-CB 3.46Å; N152-D156 VanDerWaalsContact O-CG 3.29Å; N152-D156 PolarHBondContact O-N 3.38Å; D156-R160 VanDerWaalsContact O-CG 3.27Å; D156-R160 WeakPolarHBondContact O-CG 3.38Å; D156-R160 PolarHBondContact O-N 3.12Å; D156-R160 VanDerWaalsContact O-N 3.1Å |
| 157 | A | 96.3 | Very high | 94.9 | Very high | 46 Ų | 46 | 107.5 Ų | 107.5 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.2 | -42.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K153 R154 E155 R160 L161 | K153-A157 WeakPolarHBondContact O-CB 3.46Å; K153-A157 PolarHBondContact O-N 3.5Å; R154-A157 PolarHBondContact O-N 3.48Å; E155-A157 VanDerWaalsContact C-N 3.29Å; E155-A157 PolarHBondContact O-N 2.93Å; A157-R160 PolarHBondContact O-N 2.93Å; A157-L161 WeakPolarHBondContact O-CG 3.3Å; A157-L161 PolarHBondContact O-N 3.04Å |
| 158 | L | 95.5 | Very high | 95 | Very high | 115 Ų | 115 | 110.4 Ų | 110.4 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 174 | -79 | 168.5 | 0 | 0 | 0 | 111.1 | R154 E155 R160 L161 E162 | R154-L158 WeakPolarHBondContact O-CB 3.32Å; R154-L158 WeakPolarHBondContact O-CG 3.3Å; R154-L158 PolarHBondContact O-N 2.89Å; E155-L158 PolarHBondContact O-N 3.29Å; L158-R160 PolarHBondContact O-N 3.44Å; L158-L161 PolarHBondContact O-N 2.95Å; L158-E162 WeakPolarHBondContact O-CB 3.44Å; L158-E162 PolarHBondContact O-N 2.9Å |
| 159 | N | 96.3 | Very high | 95 | Very high | 68 Ų | 68 | 109.8 Ų | 109.8 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -27.8 | 177.6 | -71.8 | -28.8 | 0 | 0 | 0 | 113.2 | E155 R163 | E155-N159 WeakPolarHBondContact O-CB 3.23Å; E155-N159 PolarHBondContact O-N 3.49Å; E155-N159 PolarHBondContact O-ND2 3.13Å; N159-R163 WeakPolarHBondContact O-CG 3.5Å; N159-R163 PolarHBondContact O-N 3.26Å; N159-R163 PolarHBondContact O-NE 2.97Å |
| 160 | R | 96 | Very high | 95.1 | Very high | 160 Ų | 160 | 107.3 Ų | 107.3 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -75.3 | -48.5 | 172.1 | -75.5 | 172.7 | -172.4 | -123.3 | 3.4 | 111.1 | D156 A157 L158 E162 R163 E164 | D156-R160 VanDerWaalsContact O-CG 3.27Å; D156-R160 WeakPolarHBondContact O-CG 3.38Å; D156-R160 PolarHBondContact O-N 3.12Å; D156-R160 VanDerWaalsContact O-N 3.1Å; A157-R160 PolarHBondContact O-N 2.93Å; L158-R160 PolarHBondContact O-N 3.44Å; R160-E162 VanDerWaalsContact C-N 3.31Å; R160-E162 PolarHBondContact O-N 2.88Å; R160-R163 PolarHBondContact O-N 3.04Å; R160-E164 WeakPolarHBondContact O-CG 3.49Å; R160-E164 PolarHBondContact O-N 3.12Å |
| 161 | L | 95 | Very high | 95 | Very high | 108 Ų | 108 | 109.4 Ų | 109.4 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -39.5 | 178.2 | -73.5 | 171.4 | 0 | 0 | 0 | 112 | A157 L158 E164 C165 | A157-L161 WeakPolarHBondContact O-CG 3.3Å; A157-L161 PolarHBondContact O-N 3.04Å; L158-L161 PolarHBondContact O-N 2.95Å; L161-E164 PolarHBondContact O-N 2.86Å; L161-C165 WeakPolarHBondContact O-CB 3.41Å; L161-C165 PolarHBondContact O-N 3.38Å |
| 162 | E | 94.3 | Very high | 95.1 | Very high | 108 Ų | 108 | 112.7 Ų | 112.7 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 176.3 | -174.9 | 175.9 | -172.6 | 0 | 0 | 111.2 | L158 R160 C165 Q166 | L158-E162 WeakPolarHBondContact O-CB 3.44Å; L158-E162 PolarHBondContact O-N 2.9Å; R160-E162 VanDerWaalsContact C-N 3.31Å; R160-E162 PolarHBondContact O-N 2.88Å; E162-C165 PolarHBondContact O-N 2.98Å; E162-Q166 HydrophobicContact CG-CG 4.48Å; E162-Q166 WeakPolarHBondContact O-CB 3.25Å; E162-Q166 VanDerWaalsContact O-CG 3.24Å; E162-Q166 WeakPolarHBondContact O-CG 3.38Å; E162-Q166 PolarHBondContact O-N 3Å; E162-Q166 PolarHBondContact OE1-NE2 2.68Å |
| 163 | R | 94.4 | Very high | 95.1 | Very high | 141 Ų | 141 | 112.6 Ų | 112.6 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 175 | -81.9 | -177.1 | -75.8 | 156.6 | -10.5 | 112.5 | N159 R160 C165 Q166 E167 | N159-R163 WeakPolarHBondContact O-CG 3.5Å; N159-R163 PolarHBondContact O-N 3.26Å; N159-R163 PolarHBondContact O-NE 2.97Å; R160-R163 PolarHBondContact O-N 3.04Å; R163-C165 VanDerWaalsContact C-N 3.27Å; R163-C165 PolarHBondContact O-N 3.4Å; R163-Q166 PolarHBondContact O-N 3.41Å; R163-E167 WeakPolarHBondContact O-CB 3.49Å; R163-E167 VanDerWaalsContact O-CG 3.31Å; R163-E167 WeakPolarHBondContact O-CG 3.19Å; R163-E167 PolarHBondContact O-N 3.15Å |
| 164 | E | 94.2 | Very high | 95.1 | Very high | 98 Ų | 98 | 110.1 Ų | 110.1 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 177.6 | -73.8 | 179.3 | -160 | 0 | 0 | 112.1 | R160 L161 K168 | R160-E164 WeakPolarHBondContact O-CG 3.49Å; R160-E164 PolarHBondContact O-N 3.12Å; L161-E164 PolarHBondContact O-N 2.86Å; E164-K168 WeakPolarHBondContact O-CB 3.37Å; E164-K168 VanDerWaalsContact O-CG 3.25Å; E164-K168 WeakPolarHBondContact O-CG 3.33Å; E164-K168 PolarHBondContact O-N 3.32Å; E164-K168 VanDerWaalsContact O-N 3.09Å |
| 165 | C | 93.6 | Very high | 95.1 | Very high | 62 Ų | 62 | 105.6 Ų | 105.6 | 42% | 0.419 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -50.4 | 176.1 | -170.2 | 0 | 0 | 0 | 0 | 110.8 | L161 E162 R163 E167 K168 H169 | L161-C165 WeakPolarHBondContact O-CB 3.41Å; L161-C165 PolarHBondContact O-N 3.38Å; E162-C165 PolarHBondContact O-N 2.98Å; R163-C165 VanDerWaalsContact C-N 3.27Å; R163-C165 PolarHBondContact O-N 3.4Å; C165-E167 PolarHBondContact O-N 3.08Å; C165-K168 PolarHBondContact O-N 3.39Å; C165-H169 WeakPolarHBondContact O-CB 3.28Å; C165-H169 PolarHBondContact O-CD2 3Å; C165-H169 PolarHBondContact O-N 3.43Å; C165-H169 PolarHBondContact SG-CD2 3.42Å |
| 166 | Q | 94.3 | Very high | 95.1 | Very high | 95 Ų | 95 | 105.1 Ų | 105.1 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 177.1 | -74.1 | 173.9 | 4.2 | 0 | 0 | 111.5 | E162 R163 K168 H169 I170 | E162-Q166 HydrophobicContact CG-CG 4.48Å; E162-Q166 WeakPolarHBondContact O-CB 3.25Å; E162-Q166 VanDerWaalsContact O-CG 3.24Å; E162-Q166 WeakPolarHBondContact O-CG 3.38Å; E162-Q166 PolarHBondContact O-N 3Å; E162-Q166 PolarHBondContact OE1-NE2 2.68Å; R163-Q166 PolarHBondContact O-N 3.41Å; Q166-K168 PolarHBondContact O-N 2.84Å; Q166-H169 PolarHBondContact O-N 3.12Å; Q166-I170 WeakPolarHBondContact O-CB 3.4Å; Q166-I170 WeakPolarHBondContact O-CG1 3.49Å; Q166-I170 PolarHBondContact O-N 3.44Å |
| 167 | E | 94.3 | Very high | 95.1 | Very high | 128 Ų | 128 | 105.3 Ų | 105.3 | 60% | 0.598 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -45.4 | 178.6 | -74.7 | 172.5 | -169 | 0 | 0 | 112 | R163 C165 H169 I170 H171 | R163-E167 WeakPolarHBondContact O-CB 3.49Å; R163-E167 VanDerWaalsContact O-CG 3.31Å; R163-E167 WeakPolarHBondContact O-CG 3.19Å; R163-E167 PolarHBondContact O-N 3.15Å; C165-E167 PolarHBondContact O-N 3.08Å; E167-H169 PolarHBondContact O-N 3.46Å; E167-I170 PolarHBondContact O-N 3.19Å; E167-H171 WeakPolarHBondContact O-CB 3.47Å; E167-H171 PolarHBondContact O-N 2.89Å |
| 168 | K | 94.5 | Very high | 95.2 | Very high | 146 Ų | 146 | 106 Ų | 106 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -41.4 | 177 | -76.5 | 173.5 | -176.4 | 168.8 | 0 | 112.2 | E164 C165 Q166 R172 | E164-K168 WeakPolarHBondContact O-CB 3.37Å; E164-K168 VanDerWaalsContact O-CG 3.25Å; E164-K168 WeakPolarHBondContact O-CG 3.33Å; E164-K168 PolarHBondContact O-N 3.32Å; E164-K168 VanDerWaalsContact O-N 3.09Å; C165-K168 PolarHBondContact O-N 3.39Å; Q166-K168 PolarHBondContact O-N 2.84Å; K168-R172 WeakPolarHBondContact O-CB 3.25Å; K168-R172 PolarHBondContact O-N 2.9Å |
| 169 | H | 94.3 | Very high | 95.2 | Very high | 105 Ų | 105 | 105.5 Ų | 105.5 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -44 | 178.5 | -76.9 | -61.3 | 0 | 0 | 0 | 112.1 | C165 Q166 E167 R172 I173 | C165-H169 WeakPolarHBondContact O-CB 3.28Å; C165-H169 PolarHBondContact O-CD2 3Å; C165-H169 PolarHBondContact O-N 3.43Å; C165-H169 PolarHBondContact SG-CD2 3.42Å; Q166-H169 PolarHBondContact O-N 3.12Å; E167-H169 PolarHBondContact O-N 3.46Å; H169-R172 PolarHBondContact O-N 3.48Å; H169-I173 WeakPolarHBondContact O-CB 3.47Å; H169-I173 VanDerWaalsContact O-CG1 3.24Å; H169-I173 WeakPolarHBondContact O-CG1 3.28Å; H169-I173 PolarHBondContact O-N 2.91Å |
| 170 | I | 95.1 | Very high | 95.2 | Very high | 92 Ų | 92 | 106.9 Ų | 106.9 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -50 | 175.6 | -70.9 | 166.4 | 0 | 0 | 0 | 109.8 | Q166 E167 R172 I173 E174 | Q166-I170 WeakPolarHBondContact O-CB 3.4Å; Q166-I170 WeakPolarHBondContact O-CG1 3.49Å; Q166-I170 PolarHBondContact O-N 3.44Å; E167-I170 PolarHBondContact O-N 3.19Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.4Å; I170-I173 PolarHBondContact O-N 3Å; I170-I173 VanDerWaalsContact O-N 3.11Å; I170-E174 HydrophobicContact CG2-CG 4.31Å; I170-E174 WeakPolarHBondContact O-CG 3.49Å; I170-E174 PolarHBondContact O-N 3.4Å |
| 171 | H | 93.7 | Very high | 95.3 | Very high | 125 Ų | 125 | 106 Ų | 106 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -37.6 | -178.9 | -165.2 | 56.7 | 0 | 0 | 0 | 112.8 | E167 E174 T175 | E167-H171 WeakPolarHBondContact O-CB 3.47Å; E167-H171 PolarHBondContact O-N 2.89Å; H171-E174 IonicContact ND1-OE2 3.34Å; H171-T175 WeakPolarHBondContact O-CB 3.34Å; H171-T175 PolarHBondContact O-N 3.43Å; H171-T175 PolarHBondContact O-OG1 3.41Å |
| 172 | R | 96.2 | Very high | 95.3 | Very high | 169 Ų | 169 | 109.1 Ų | 109.1 | 64% | 0.638 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 173.8 | -176.2 | 175.2 | 179.2 | 175.1 | 0 | 111.8 | K168 H169 I170 T175 M176 | K168-R172 WeakPolarHBondContact O-CB 3.25Å; K168-R172 PolarHBondContact O-N 2.9Å; H169-R172 PolarHBondContact O-N 3.48Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.4Å; R172-T175 PolarHBondContact O-N 2.83Å; R172-M176 HydrophobicContact CG-SD 4.27Å; R172-M176 WeakPolarHBondContact O-CG 3.39Å; R172-M176 PolarHBondContact O-N 3Å |
| 173 | I | 95.1 | Very high | 95.4 | Very high | 90 Ų | 90 | 109.7 Ų | 109.7 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 177 | -71 | 165.2 | 0 | 0 | 0 | 110.2 | H169 I170 T175 M176 Q177 | H169-I173 WeakPolarHBondContact O-CB 3.47Å; H169-I173 VanDerWaalsContact O-CG1 3.24Å; H169-I173 WeakPolarHBondContact O-CG1 3.28Å; H169-I173 PolarHBondContact O-N 2.91Å; I170-I173 PolarHBondContact O-N 3Å; I170-I173 VanDerWaalsContact O-N 3.11Å; I173-T175 VanDerWaalsContact C-N 3.31Å; I173-T175 PolarHBondContact O-N 3.08Å; I173-M176 PolarHBondContact O-N 3.03Å; I173-Q177 HydrophobicContact CG2-CG 4.21Å; I173-Q177 WeakPolarHBondContact O-CB 3.43Å; I173-Q177 VanDerWaalsContact O-CG 3.29Å; I173-Q177 WeakPolarHBondContact O-CG 3.25Å; I173-Q177 PolarHBondContact O-N 2.7Å |
| 174 | E | 96 | Very high | 95.5 | Very high | 100 Ų | 100 | 109.1 Ų | 109.1 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 177.8 | -72 | 175.6 | 162.8 | 0 | 0 | 112.2 | I170 H171 S178 | I170-E174 HydrophobicContact CG2-CG 4.31Å; I170-E174 WeakPolarHBondContact O-CG 3.49Å; I170-E174 PolarHBondContact O-N 3.4Å; H171-E174 IonicContact ND1-OE2 3.34Å; E174-S178 WeakPolarHBondContact O-CB 3.38Å; E174-S178 PolarHBondContact O-N 3.04Å; E174-S178 PolarHBondContact O-OG 2.96Å |
| 175 | T | 95.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 110.3 Ų | 110.3 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 176 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | H171 R172 I173 S178 Q179 | H171-T175 WeakPolarHBondContact O-CB 3.34Å; H171-T175 PolarHBondContact O-N 3.43Å; H171-T175 PolarHBondContact O-OG1 3.41Å; R172-T175 PolarHBondContact O-N 2.83Å; I173-T175 VanDerWaalsContact C-N 3.31Å; I173-T175 PolarHBondContact O-N 3.08Å; T175-S178 PolarHBondContact O-N 3.34Å; T175-Q179 WeakPolarHBondContact O-CG 3.38Å; T175-Q179 PolarHBondContact O-N 3.47Å |
| 176 | M | 96.5 | Very high | 95.6 | Very high | 95 Ų | 95 | 112.2 Ų | 112.2 | 47% | 0.468 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 177.9 | -75.9 | 178 | 49.9 | 0 | 0 | 112.3 | R172 I173 S178 Q179 L180 | R172-M176 HydrophobicContact CG-SD 4.27Å; R172-M176 WeakPolarHBondContact O-CG 3.39Å; R172-M176 PolarHBondContact O-N 3Å; I173-M176 PolarHBondContact O-N 3.03Å; M176-S178 VanDerWaalsContact C-N 3.29Å; M176-S178 PolarHBondContact O-N 3.2Å; M176-Q179 PolarHBondContact O-N 2.86Å; M176-L180 WeakPolarHBondContact O-CG 3.38Å; M176-L180 PolarHBondContact O-N 3.02Å |
| 177 | Q | 96.6 | Very high | 95.7 | Very high | 99 Ų | 99 | 111.4 Ų | 111.4 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -34.3 | 175.7 | -75.5 | 176.8 | -16.8 | 0 | 0 | 112.4 | I173 R181 | I173-Q177 HydrophobicContact CG2-CG 4.21Å; I173-Q177 WeakPolarHBondContact O-CB 3.43Å; I173-Q177 VanDerWaalsContact O-CG 3.29Å; I173-Q177 WeakPolarHBondContact O-CG 3.25Å; I173-Q177 PolarHBondContact O-N 2.7Å; Q177-R181 PolarHBondContact O-N 3.42Å; Q177-R181 VanDerWaalsContact O-N 3.13Å |
| 178 | S | 96.9 | Very high | 95.7 | Very high | 60 Ų | 60 | 108 Ų | 108 | 42% | 0.42 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.7 | -37.7 | 174.8 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | E174 T175 M176 R182 | E174-S178 WeakPolarHBondContact O-CB 3.38Å; E174-S178 PolarHBondContact O-N 3.04Å; E174-S178 PolarHBondContact O-OG 2.96Å; T175-S178 PolarHBondContact O-N 3.34Å; M176-S178 VanDerWaalsContact C-N 3.29Å; M176-S178 PolarHBondContact O-N 3.2Å; S178-R182 PolarHBondContact O-N 3.4Å |
| 179 | Q | 97.3 | Very high | 95.8 | Very high | 104 Ų | 104 | 105.7 Ų | 105.7 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 173.7 | -72.6 | 177 | -17.7 | 0 | 0 | 112.1 | T175 M176 R181 R182 F183 | T175-Q179 WeakPolarHBondContact O-CG 3.38Å; T175-Q179 PolarHBondContact O-N 3.47Å; M176-Q179 PolarHBondContact O-N 2.86Å; Q179-R181 PolarHBondContact O-N 2.96Å; Q179-R182 WeakPolarHBondContact O-CB 3.31Å; Q179-R182 PolarHBondContact O-N 3.29Å; Q179-F183 HydrophobicContact CB-CE2 4.38Å; Q179-F183 VanDerWaalsContact O-CD2 3.25Å; Q179-F183 WeakPolarHBondContact O-CD2 3.43Å; Q179-F183 PolarHBondContact O-N 2.94Å |
| 180 | L | 96.1 | Very high | 95.9 | Very high | 98 Ų | 98 | 106.1 Ų | 106.1 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 176.1 | -77.4 | 170.7 | 0 | 0 | 0 | 111.7 | M176 R182 F183 E184 | M176-L180 WeakPolarHBondContact O-CG 3.38Å; M176-L180 PolarHBondContact O-N 3.02Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 3.38Å; L180-F183 PolarHBondContact O-N 3.13Å; L180-F183 VanDerWaalsContact O-N 3.13Å; L180-E184 WeakPolarHBondContact O-CG 3.27Å; L180-E184 PolarHBondContact O-N 3.44Å |
| 181 | R | 96.8 | Very high | 96 | Very high | 141 Ų | 141 | 105.7 Ų | 105.7 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58 | -41.7 | 175.6 | -81.9 | -173.7 | -84.2 | -166 | -4.7 | 112.9 | Q177 Q179 E184 E185 | Q177-R181 PolarHBondContact O-N 3.42Å; Q177-R181 VanDerWaalsContact O-N 3.13Å; Q179-R181 PolarHBondContact O-N 2.96Å; R181-E184 PolarHBondContact O-N 3.32Å; R181-E185 WeakPolarHBondContact O-CG 3.41Å; R181-E185 PolarHBondContact O-N 3.39Å |
| 182 | R | 95.9 | Very high | 96.1 | Very high | 173 Ų | 173 | 105 Ų | 105 | 65% | 0.653 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -44.6 | 174.7 | -77.7 | -179 | 153.9 | -161.9 | -7.3 | 112.4 | S178 Q179 L180 E184 E185 E186 | S178-R182 PolarHBondContact O-N 3.4Å; Q179-R182 WeakPolarHBondContact O-CB 3.31Å; Q179-R182 PolarHBondContact O-N 3.29Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 3.38Å; R182-E184 VanDerWaalsContact C-N 3.34Å; R182-E185 PolarHBondContact O-N 2.89Å; R182-E186 WeakPolarHBondContact O-CB 3.33Å; R182-E186 WeakPolarHBondContact O-CG 3.43Å; R182-E186 PolarHBondContact O-N 3.45Å |
| 183 | F | 96.2 | Very high | 96.1 | Very high | 120 Ų | 120 | 100.2 Ų | 100.2 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -35.1 | 177.6 | -68.4 | -45.9 | 0 | 0 | 0 | 112.8 | Q179 L180 E186 T187 | Q179-F183 HydrophobicContact CB-CE2 4.38Å; Q179-F183 VanDerWaalsContact O-CD2 3.25Å; Q179-F183 WeakPolarHBondContact O-CD2 3.43Å; Q179-F183 PolarHBondContact O-N 2.94Å; L180-F183 PolarHBondContact O-N 3.13Å; L180-F183 VanDerWaalsContact O-N 3.13Å; F183-E186 PolarHBondContact O-N 2.93Å; F183-T187 VanDerWaalsContact O-CB 3.31Å; F183-T187 WeakPolarHBondContact O-CB 3.32Å; F183-T187 PolarHBondContact O-N 3.31Å; F183-T187 PolarHBondContact O-OG1 2.94Å |
| 184 | E | 95.1 | Very high | 96.1 | Very high | 129 Ų | 129 | 100 Ų | 100 | 60% | 0.603 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 173 | -72.6 | 170.3 | 171.2 | 0 | 0 | 111.3 | L180 R181 R182 T187 A188 | L180-E184 WeakPolarHBondContact O-CG 3.27Å; L180-E184 PolarHBondContact O-N 3.44Å; R181-E184 PolarHBondContact O-N 3.32Å; R182-E184 VanDerWaalsContact C-N 3.34Å; E184-T187 PolarHBondContact O-N 3.03Å; E184-A188 WeakPolarHBondContact O-CB 3.46Å; E184-A188 PolarHBondContact O-N 3.29Å |
| 185 | E | 96.1 | Very high | 96.1 | Very high | 123 Ų | 123 | 99.8 Ų | 99.8 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 174.9 | -72.8 | 170.5 | -168.4 | 0 | 0 | 112 | R181 R182 T187 A188 N189 | R181-E185 WeakPolarHBondContact O-CG 3.41Å; R181-E185 PolarHBondContact O-N 3.39Å; R182-E185 PolarHBondContact O-N 2.89Å; E185-T187 PolarHBondContact O-N 3.24Å; E185-A188 PolarHBondContact O-N 3Å; E185-N189 VanDerWaalsContact O-CG 3.25Å; E185-N189 PolarHBondContact O-N 2.78Å; E185-N189 PolarHBondContact O-ND2 2.95Å |
| 186 | E | 95 | Very high | 96.1 | Very high | 103 Ų | 103 | 101.5 Ų | 101.5 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175.9 | -75.5 | 172.9 | -168.4 | 0 | 0 | 111.7 | R182 F183 N189 L190 | R182-E186 WeakPolarHBondContact O-CB 3.33Å; R182-E186 WeakPolarHBondContact O-CG 3.43Å; R182-E186 PolarHBondContact O-N 3.45Å; F183-E186 PolarHBondContact O-N 2.93Å; E186-N189 PolarHBondContact O-N 3.43Å; E186-L190 WeakPolarHBondContact O-CB 3.46Å; E186-L190 WeakPolarHBondContact O-CG 3.5Å; E186-L190 PolarHBondContact O-N 3.33Å |
| 187 | T | 95.2 | Very high | 96 | Very high | 78 Ų | 78 | 101.8 Ų | 101.8 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 176.8 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | F183 E184 E185 L190 N191 | F183-T187 VanDerWaalsContact O-CB 3.31Å; F183-T187 WeakPolarHBondContact O-CB 3.32Å; F183-T187 PolarHBondContact O-N 3.31Å; F183-T187 PolarHBondContact O-OG1 2.94Å; E184-T187 PolarHBondContact O-N 3.03Å; E185-T187 PolarHBondContact O-N 3.24Å; T187-L190 PolarHBondContact O-N 3.38Å; T187-N191 WeakPolarHBondContact O-CB 3.28Å; T187-N191 VanDerWaalsContact O-CG 3.31Å; T187-N191 PolarHBondContact O-N 3.44Å; T187-N191 PolarHBondContact O-ND2 3.5Å; T187-N191 VanDerWaalsContact O-ND2 3.15Å |
| 188 | A | 95.6 | Very high | 95.9 | Very high | 57 Ų | 57 | 104.9 Ų | 104.9 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E184 E185 N191 Q192 | E184-A188 WeakPolarHBondContact O-CB 3.46Å; E184-A188 PolarHBondContact O-N 3.29Å; E185-A188 PolarHBondContact O-N 3Å; A188-N191 PolarHBondContact O-N 3.43Å; A188-Q192 PolarHBondContact O-N 2.89Å |
| 189 | N | 96.6 | Very high | 95.8 | Very high | 97 Ų | 97 | 106.6 Ų | 106.6 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 177.1 | -69.8 | -28 | 0 | 0 | 0 | 112.1 | E185 E186 Q192 V193 | E185-N189 VanDerWaalsContact O-CG 3.25Å; E185-N189 PolarHBondContact O-N 2.78Å; E185-N189 PolarHBondContact O-ND2 2.95Å; E186-N189 PolarHBondContact O-N 3.43Å; N189-Q192 WeakPolarHBondContact O-CB 3.47Å; N189-Q192 PolarHBondContact O-N 3.24Å; N189-V193 WeakPolarHBondContact O-CG2 3.47Å; N189-V193 PolarHBondContact O-N 2.92Å |
| 190 | L | 96.6 | Very high | 95.6 | Very high | 114 Ų | 114 | 106.2 Ų | 106.2 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 177.2 | -74.5 | 171.9 | 0 | 0 | 0 | 111.9 | E186 T187 Q192 V193 L194 | E186-L190 WeakPolarHBondContact O-CB 3.46Å; E186-L190 WeakPolarHBondContact O-CG 3.5Å; E186-L190 PolarHBondContact O-N 3.33Å; T187-L190 PolarHBondContact O-N 3.38Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-Q192 PolarHBondContact O-N 2.98Å; L190-V193 PolarHBondContact O-N 3.01Å; L190-L194 WeakPolarHBondContact O-CG 3.47Å; L190-L194 PolarHBondContact O-N 2.99Å |
| 191 | N | 96 | Very high | 95.5 | Very high | 83 Ų | 83 | 106.3 Ų | 106.3 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.5 | -75 | -33.4 | 0 | 0 | 0 | 111.9 | T187 A188 V193 L194 D195 | T187-N191 WeakPolarHBondContact O-CB 3.28Å; T187-N191 VanDerWaalsContact O-CG 3.31Å; T187-N191 PolarHBondContact O-N 3.44Å; T187-N191 PolarHBondContact O-ND2 3.5Å; T187-N191 VanDerWaalsContact O-ND2 3.15Å; A188-N191 PolarHBondContact O-N 3.43Å; N191-V193 PolarHBondContact O-N 2.93Å; N191-L194 PolarHBondContact O-N 3.32Å; N191-D195 PolarHBondContact O-N 3.32Å |
| 192 | Q | 97 | Very high | 95.3 | Very high | 109 Ų | 109 | 106.2 Ų | 106.2 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 174.5 | -177 | -175.8 | -12.7 | 0 | 0 | 111.7 | A188 N189 L190 L194 D195 E196 | A188-Q192 PolarHBondContact O-N 2.89Å; N189-Q192 WeakPolarHBondContact O-CB 3.47Å; N189-Q192 PolarHBondContact O-N 3.24Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-Q192 PolarHBondContact O-N 2.98Å; Q192-L194 VanDerWaalsContact C-N 3.32Å; Q192-L194 PolarHBondContact O-N 2.93Å; Q192-D195 PolarHBondContact O-N 2.89Å; Q192-E196 PolarHBondContact NE2-OE1 2.96Å; Q192-E196 WeakPolarHBondContact O-CG 3.44Å; Q192-E196 PolarHBondContact O-N 3.14Å |
| 193 | V | 96.2 | Very high | 95.2 | Very high | 69 Ų | 69 | 102.5 Ų | 102.5 | 42% | 0.418 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 178.1 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | N189 L190 N191 E196 Q197 | N189-V193 WeakPolarHBondContact O-CG2 3.47Å; N189-V193 PolarHBondContact O-N 2.92Å; L190-V193 PolarHBondContact O-N 3.01Å; N191-V193 PolarHBondContact O-N 2.93Å; V193-E196 PolarHBondContact O-N 3.41Å; V193-Q197 WeakPolarHBondContact O-CB 3.49Å; V193-Q197 WeakPolarHBondContact O-CG 3.49Å; V193-Q197 PolarHBondContact O-N 3Å |
| 194 | L | 94.7 | Very high | 95.1 | Very high | 86 Ų | 86 | 103 Ų | 103 | 45% | 0.45 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 176.1 | -74.6 | 172.4 | 0 | 0 | 0 | 112 | L190 N191 Q192 Q197 R198 | L190-L194 WeakPolarHBondContact O-CG 3.47Å; L190-L194 PolarHBondContact O-N 2.99Å; N191-L194 PolarHBondContact O-N 3.32Å; Q192-L194 VanDerWaalsContact C-N 3.32Å; Q192-L194 PolarHBondContact O-N 2.93Å; L194-Q197 PolarHBondContact O-N 3.34Å; L194-R198 VanDerWaalsContact O-CG 3.26Å; L194-R198 WeakPolarHBondContact O-CG 3.38Å; L194-R198 PolarHBondContact O-N 3.43Å |
| 195 | D | 96.2 | Very high | 95.1 | Very high | 96 Ų | 96 | 100.8 Ų | 100.8 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 176.6 | -75.3 | -20.9 | 0 | 0 | 0 | 111.5 | N191 Q192 Q197 R198 V199 | N191-D195 PolarHBondContact O-N 3.32Å; Q192-D195 PolarHBondContact O-N 2.89Å; D195-Q197 PolarHBondContact O-N 3.29Å; D195-R198 WeakPolarHBondContact O-CB 3.48Å; D195-R198 PolarHBondContact O-N 3.25Å; D195-V199 WeakPolarHBondContact O-CG2 3.47Å; D195-V199 PolarHBondContact O-N 3.46Å; D195-V199 VanDerWaalsContact O-N 3.07Å |
| 196 | E | 95.3 | Very high | 95.1 | Very high | 98 Ų | 98 | 102.9 Ų | 102.9 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -46.8 | 174 | -72.5 | 171.6 | -169.5 | 0 | 0 | 111.4 | Q192 V193 R198 V199 E200 | Q192-E196 PolarHBondContact NE2-OE1 2.96Å; Q192-E196 WeakPolarHBondContact O-CG 3.44Å; Q192-E196 PolarHBondContact O-N 3.14Å; V193-E196 PolarHBondContact O-N 3.41Å; E196-R198 VanDerWaalsContact C-N 3.33Å; E196-R198 PolarHBondContact O-N 3.2Å; E196-V199 PolarHBondContact O-N 2.8Å; E196-E200 WeakPolarHBondContact O-CG 3.3Å; E196-E200 PolarHBondContact O-N 3.4Å |
| 197 | Q | 94.1 | Very high | 95.1 | Very high | 101 Ų | 101 | 101.2 Ų | 101.2 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 177.4 | -75.2 | -174.9 | -12.5 | 0 | 0 | 113 | V193 L194 D195 E200 L201 | V193-Q197 WeakPolarHBondContact O-CB 3.49Å; V193-Q197 WeakPolarHBondContact O-CG 3.49Å; V193-Q197 PolarHBondContact O-N 3Å; L194-Q197 PolarHBondContact O-N 3.34Å; D195-Q197 PolarHBondContact O-N 3.29Å; Q197-E200 PolarHBondContact O-N 2.91Å; Q197-L201 WeakPolarHBondContact O-CB 3.49Å; Q197-L201 WeakPolarHBondContact O-CG 3.26Å; Q197-L201 PolarHBondContact O-N 2.79Å |
| 198 | R | 94.7 | Very high | 95 | Very high | 163 Ų | 163 | 101 Ų | 101 | 62% | 0.615 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.1 | -46.5 | 174.7 | -76.5 | 170.9 | 176.6 | -148.3 | 0.6 | 111.2 | L194 D195 E196 E200 L201 E202 | L194-R198 VanDerWaalsContact O-CG 3.26Å; L194-R198 WeakPolarHBondContact O-CG 3.38Å; L194-R198 PolarHBondContact O-N 3.43Å; D195-R198 WeakPolarHBondContact O-CB 3.48Å; D195-R198 PolarHBondContact O-N 3.25Å; E196-R198 VanDerWaalsContact C-N 3.33Å; E196-R198 PolarHBondContact O-N 3.2Å; R198-E200 PolarHBondContact O-N 2.68Å; R198-L201 PolarHBondContact O-N 3.15Å; R198-E202 WeakPolarHBondContact O-CG 3.34Å; R198-E202 PolarHBondContact O-N 3.39Å |
| 199 | V | 95.5 | Very high | 94.8 | Very high | 96 Ų | 96 | 106.9 Ų | 106.9 | 58% | 0.582 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | D195 E196 L201 E202 E203 | D195-V199 WeakPolarHBondContact O-CG2 3.47Å; D195-V199 PolarHBondContact O-N 3.46Å; D195-V199 VanDerWaalsContact O-N 3.07Å; E196-V199 PolarHBondContact O-N 2.8Å; V199-L201 VanDerWaalsContact C-N 3.35Å; V199-L201 PolarHBondContact O-N 3.02Å; V199-E202 PolarHBondContact O-N 3.05Å; V199-E203 PolarHBondContact O-N 3.43Å |
| 200 | E | 93 | Very high | 94.6 | Very high | 96 Ų | 96 | 107.2 Ų | 107.2 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 176.6 | -71.4 | -171.9 | 177.4 | 0 | 0 | 113.2 | E196 Q197 R198 E203 R204 | E196-E200 WeakPolarHBondContact O-CG 3.3Å; E196-E200 PolarHBondContact O-N 3.4Å; Q197-E200 PolarHBondContact O-N 2.91Å; R198-E200 PolarHBondContact O-N 2.68Å; E200-E203 PolarHBondContact O-N 2.96Å; E200-R204 WeakPolarHBondContact O-CB 3.48Å; E200-R204 VanDerWaalsContact O-CG 3.27Å; E200-R204 WeakPolarHBondContact O-CG 3.32Å; E200-R204 PolarHBondContact O-N 3.13Å; E200-R204 IonicContact OE2-CZ 3.9Å; E200-R204 IonicContact OE2-NH1 2.96Å; E200-R204 PolarHBondContact OE2-NH1 3.01Å; E200-R204 VanDerWaalsContact OE2-NH1 3.15Å; E200-R204 IonicContact OE2-NH2 3.48Å; E200-R204 PolarHBondContact OE2-NH2 3.5Å |
| 201 | L | 92.9 | Very high | 94.3 | Very high | 101 Ų | 101 | 107 Ų | 107 | 53% | 0.529 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 176.5 | -77.4 | 171.3 | 0 | 0 | 0 | 111.5 | Q197 R198 V199 E203 R204 D205 | Q197-L201 WeakPolarHBondContact O-CB 3.49Å; Q197-L201 WeakPolarHBondContact O-CG 3.26Å; Q197-L201 PolarHBondContact O-N 2.79Å; R198-L201 PolarHBondContact O-N 3.15Å; V199-L201 VanDerWaalsContact C-N 3.35Å; V199-L201 PolarHBondContact O-N 3.02Å; L201-E203 VanDerWaalsContact C-N 3.34Å; L201-E203 PolarHBondContact O-N 2.7Å; L201-R204 PolarHBondContact O-N 3.06Å; L201-D205 WeakPolarHBondContact O-CB 3.37Å; L201-D205 PolarHBondContact O-N 3.29Å |
| 202 | E | 93.7 | Very high | 93.9 | Very high | 138 Ų | 138 | 111.6 Ų | 111.6 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.8 | -42.1 | 175.8 | -73.7 | 178.1 | -176.8 | 0 | 0 | 112.2 | R198 V199 D205 R206 | R198-E202 WeakPolarHBondContact O-CG 3.34Å; R198-E202 PolarHBondContact O-N 3.39Å; V199-E202 PolarHBondContact O-N 3.05Å; E202-D205 PolarHBondContact O-N 3.38Å; E202-R206 WeakPolarHBondContact O-CB 3.24Å; E202-R206 PolarHBondContact O-N 2.94Å |
| 203 | E | 94.5 | Very high | 93.5 | Very high | 95 Ų | 95 | 108.8 Ų | 108.8 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | 176.9 | -174.1 | 58.5 | -155.5 | 0 | 0 | 111.8 | V199 E200 L201 D205 R206 V207 | V199-E203 PolarHBondContact O-N 3.43Å; E200-E203 PolarHBondContact O-N 2.96Å; L201-E203 VanDerWaalsContact C-N 3.34Å; L201-E203 PolarHBondContact O-N 2.7Å; E203-D205 VanDerWaalsContact C-N 3.34Å; E203-D205 PolarHBondContact O-N 3.41Å; E203-R206 WeakPolarHBondContact O-CB 3.42Å; E203-R206 PolarHBondContact O-N 3.46Å; E203-R206 IonicContact OE2-NH1 3.49Å; E203-V207 WeakPolarHBondContact O-CG2 3.47Å; E203-V207 PolarHBondContact O-N 3.49Å |
| 204 | R | 94.3 | Very high | 93 | Very high | 131 Ų | 131 | 109 Ų | 109 | 49% | 0.494 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 173.6 | -74.3 | 175.3 | -171.5 | 119.1 | 6.8 | 111.4 | E200 L201 R206 V207 I208 | E200-R204 WeakPolarHBondContact O-CB 3.48Å; E200-R204 VanDerWaalsContact O-CG 3.27Å; E200-R204 WeakPolarHBondContact O-CG 3.32Å; E200-R204 PolarHBondContact O-N 3.13Å; E200-R204 IonicContact OE2-CZ 3.9Å; E200-R204 IonicContact OE2-NH1 2.96Å; E200-R204 PolarHBondContact OE2-NH1 3.01Å; E200-R204 VanDerWaalsContact OE2-NH1 3.15Å; E200-R204 IonicContact OE2-NH2 3.48Å; E200-R204 PolarHBondContact OE2-NH2 3.5Å; L201-R204 PolarHBondContact O-N 3.06Å; R204-R206 VanDerWaalsContact C-N 3.31Å; R204-R206 PolarHBondContact O-N 3.48Å; R204-V207 PolarHBondContact O-N 2.88Å; R204-I208 VanDerWaalsContact O-CG1 3.31Å; R204-I208 WeakPolarHBondContact O-CG1 3.44Å; R204-I208 PolarHBondContact O-N 3.39Å |
| 205 | D | 94.5 | Very high | 92.5 | Very high | 82 Ų | 82 | 111.8 Ų | 111.8 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 176.3 | -90.6 | -7.4 | 0 | 0 | 0 | 112.1 | L201 E202 E203 I208 R209 | L201-D205 WeakPolarHBondContact O-CB 3.37Å; L201-D205 PolarHBondContact O-N 3.29Å; E202-D205 PolarHBondContact O-N 3.38Å; E203-D205 VanDerWaalsContact C-N 3.34Å; E203-D205 PolarHBondContact O-N 3.41Å; D205-I208 PolarHBondContact O-N 2.89Å; D205-R209 WeakPolarHBondContact O-CG 3.41Å; D205-R209 PolarHBondContact O-N 3.3Å |
| 206 | R | 95.8 | Very high | 91.8 | Very high | 167 Ų | 167 | 110 Ų | 110 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.5 | -47.4 | 174.3 | -175.5 | -172.3 | 178.5 | -172.5 | 0.2 | 111.5 | E202 E203 R204 I208 R209 Q210 | E202-R206 WeakPolarHBondContact O-CB 3.24Å; E202-R206 PolarHBondContact O-N 2.94Å; E203-R206 WeakPolarHBondContact O-CB 3.42Å; E203-R206 PolarHBondContact O-N 3.46Å; E203-R206 IonicContact OE2-NH1 3.49Å; R204-R206 VanDerWaalsContact C-N 3.31Å; R204-R206 PolarHBondContact O-N 3.48Å; R206-I208 VanDerWaalsContact C-N 3.35Å; R206-I208 PolarHBondContact O-N 2.88Å; R206-R209 PolarHBondContact O-N 3Å; R206-Q210 PolarHBondContact O-N 3.29Å |
| 207 | V | 95.3 | Very high | 91.2 | Very high | 68 Ų | 68 | 111 Ų | 111 | 41% | 0.412 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.2 | 172 | 0 | 0 | 0 | 0 | 111.1 | E203 R204 R209 Q210 L211 | E203-V207 WeakPolarHBondContact O-CG2 3.47Å; E203-V207 PolarHBondContact O-N 3.49Å; R204-V207 PolarHBondContact O-N 2.88Å; V207-R209 PolarHBondContact O-N 3.22Å; V207-Q210 PolarHBondContact O-N 2.95Å; V207-L211 HydrophobicContact CG1-CD1 3.94Å; V207-L211 HydrophobicContact CG1-CG 4.31Å; V207-L211 WeakPolarHBondContact O-CG 3.45Å; V207-L211 PolarHBondContact O-N 3.41Å |
| 208 | I | 93 | Very high | 90.6 | Very high | 75 Ų | 75 | 107.6 Ų | 107.6 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 177.1 | -70.6 | 166.8 | 0 | 0 | 0 | 111.2 | R204 D205 R206 Q210 L211 R212 | R204-I208 VanDerWaalsContact O-CG1 3.31Å; R204-I208 WeakPolarHBondContact O-CG1 3.44Å; R204-I208 PolarHBondContact O-N 3.39Å; D205-I208 PolarHBondContact O-N 2.89Å; R206-I208 VanDerWaalsContact C-N 3.35Å; R206-I208 PolarHBondContact O-N 2.88Å; I208-Q210 VanDerWaalsContact C-N 3.33Å; I208-Q210 PolarHBondContact O-N 3.39Å; I208-L211 PolarHBondContact O-N 3.41Å; I208-R212 WeakPolarHBondContact O-CB 3.46Å; I208-R212 VanDerWaalsContact O-CG 3.3Å; I208-R212 WeakPolarHBondContact O-CG 3.42Å; I208-R212 PolarHBondContact O-N 3.44Å |
| 209 | R | 91 | Very high | 90.1 | Very high | 179 Ų | 179 | 102.4 Ų | 102.4 | 68% | 0.675 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 176.5 | -70.8 | 177.2 | -156.6 | 173.2 | 8.7 | 111.5 | D205 R206 V207 R212 S213 | D205-R209 WeakPolarHBondContact O-CG 3.41Å; D205-R209 PolarHBondContact O-N 3.3Å; R206-R209 PolarHBondContact O-N 3Å; V207-R209 PolarHBondContact O-N 3.22Å; R209-R212 PolarHBondContact O-N 3.49Å; R209-S213 PolarHBondContact O-N 2.87Å |
| 210 | Q | 92.3 | Very high | 89.6 | Confident | 105 Ų | 105 | 102.5 Ų | 102.5 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -50.7 | 177.7 | -173.8 | 59.2 | 40.6 | 0 | 0 | 111.3 | R206 V207 I208 R212 S213 D214 | R206-Q210 PolarHBondContact O-N 3.29Å; V207-Q210 PolarHBondContact O-N 2.95Å; I208-Q210 VanDerWaalsContact C-N 3.33Å; I208-Q210 PolarHBondContact O-N 3.39Å; Q210-R212 VanDerWaalsContact C-N 3.29Å; Q210-R212 PolarHBondContact O-N 3.33Å; Q210-S213 WeakPolarHBondContact O-CA 3.32Å; Q210-S213 WeakPolarHBondContact O-CB 3.46Å; Q210-S213 PolarHBondContact O-N 3.32Å; Q210-D214 VanDerWaalsContact NE2-CG 3.32Å; Q210-D214 PolarHBondContact NE2-OD1 3.01Å; Q210-D214 PolarHBondContact NE2-OD2 3.08Å; Q210-D214 VanDerWaalsContact NE2-OD2 3.12Å; Q210-D214 PolarHBondContact O-N 3.41Å |
| 211 | L | 90.5 | Very high | 89.3 | Confident | 109 Ų | 109 | 102.1 Ų | 102.1 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.1 | -41 | 178.1 | -73.6 | 172.7 | 0 | 0 | 0 | 112.3 | V207 I208 D214 Q215 | V207-L211 HydrophobicContact CG1-CD1 3.94Å; V207-L211 HydrophobicContact CG1-CG 4.31Å; V207-L211 WeakPolarHBondContact O-CG 3.45Å; V207-L211 PolarHBondContact O-N 3.41Å; I208-L211 PolarHBondContact O-N 3.41Å; L211-D214 PolarHBondContact O-N 3.25Å; L211-Q215 VanDerWaalsContact O-CB 3.25Å; L211-Q215 WeakPolarHBondContact O-CB 3.29Å; L211-Q215 PolarHBondContact O-N 3.4Å |
| 212 | R | 87.4 | Confident | 89 | Confident | 180 Ų | 180 | 103.8 Ų | 103.8 | 68% | 0.679 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 175.4 | -74.4 | 178.6 | 179.7 | -163.7 | 2.9 | 112.3 | I208 R209 Q210 A216 | I208-R212 WeakPolarHBondContact O-CB 3.46Å; I208-R212 VanDerWaalsContact O-CG 3.3Å; I208-R212 WeakPolarHBondContact O-CG 3.42Å; I208-R212 PolarHBondContact O-N 3.44Å; R209-R212 PolarHBondContact O-N 3.49Å; Q210-R212 VanDerWaalsContact C-N 3.29Å; Q210-R212 PolarHBondContact O-N 3.33Å; R212-A216 VanDerWaalsContact O-CB 3.3Å; R212-A216 WeakPolarHBondContact O-CB 3.48Å; R212-A216 PolarHBondContact O-N 3.08Å |
| 213 | S | 87.7 | Confident | 88.7 | Confident | 50 Ų | 50 | 102 Ų | 102 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | R209 Q210 Q215 A216 Q217 | R209-S213 PolarHBondContact O-N 2.87Å; Q210-S213 WeakPolarHBondContact O-CA 3.32Å; Q210-S213 WeakPolarHBondContact O-CB 3.46Å; Q210-S213 PolarHBondContact O-N 3.32Å; S213-Q215 PolarHBondContact O-N 3.28Å; S213-A216 PolarHBondContact O-N 3.09Å; S213-Q217 WeakPolarHBondContact O-CB 3.44Å; S213-Q217 WeakPolarHBondContact O-CG 3.45Å; S213-Q217 PolarHBondContact O-N 2.99Å |
| 214 | D | 86.4 | Confident | 88.5 | Confident | 74 Ų | 74 | 103.1 Ų | 103.1 | 40% | 0.396 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | -178.8 | -65.7 | -21.1 | 0 | 0 | 0 | 111.3 | Q210 L211 Q217 G218 | Q210-D214 VanDerWaalsContact NE2-CG 3.32Å; Q210-D214 PolarHBondContact NE2-OD1 3.01Å; Q210-D214 PolarHBondContact NE2-OD2 3.08Å; Q210-D214 VanDerWaalsContact NE2-OD2 3.12Å; Q210-D214 PolarHBondContact O-N 3.41Å; L211-D214 PolarHBondContact O-N 3.25Å; D214-Q217 PolarHBondContact O-N 3.15Å; D214-G218 PolarHBondContact O-N 3.27Å |
| 215 | Q | 85 | Confident | 88.4 | Confident | 143 Ų | 143 | 103.1 Ų | 103.1 | 67% | 0.668 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -43.8 | 175.3 | -172.6 | 179.9 | 18.4 | 0 | 0 | 111.9 | L211 S213 S219 | L211-Q215 VanDerWaalsContact O-CB 3.25Å; L211-Q215 WeakPolarHBondContact O-CB 3.29Å; L211-Q215 PolarHBondContact O-N 3.4Å; S213-Q215 PolarHBondContact O-N 3.28Å; Q215-S219 WeakPolarHBondContact O-CB 3.4Å; Q215-S219 PolarHBondContact O-N 3.26Å; Q215-S219 VanDerWaalsContact O-N 3.15Å; Q215-S219 PolarHBondContact O-OG 2.84Å |
| 216 | A | 80.7 | Confident | 88.3 | Confident | 58 Ų | 58 | 104.5 Ų | 104.5 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | R212 S213 S219 L220 | R212-A216 VanDerWaalsContact O-CB 3.3Å; R212-A216 WeakPolarHBondContact O-CB 3.48Å; R212-A216 PolarHBondContact O-N 3.08Å; S213-A216 PolarHBondContact O-N 3.09Å; A216-S219 PolarHBondContact O-OG 2.9Å; A216-L220 VanDerWaalsContact O-CB 3.28Å; A216-L220 WeakPolarHBondContact O-CB 3.45Å; A216-L220 PolarHBondContact O-N 3.36Å |
| 217 | Q | 83.4 | Confident | 88.2 | Confident | 119 Ų | 119 | 103 Ų | 103 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.8 | -46.1 | 179.1 | -71.8 | -177 | -12.1 | 0 | 0 | 112.5 | S213 D214 L220 I221 | S213-Q217 WeakPolarHBondContact O-CB 3.44Å; S213-Q217 WeakPolarHBondContact O-CG 3.45Å; S213-Q217 PolarHBondContact O-N 2.99Å; D214-Q217 PolarHBondContact O-N 3.15Å; Q217-L220 PolarHBondContact O-N 2.98Å; Q217-I221 WeakPolarHBondContact O-CD1 3.33Å; Q217-I221 VanDerWaalsContact O-CG1 3.28Å; Q217-I221 WeakPolarHBondContact O-CG1 3.35Å; Q217-I221 PolarHBondContact O-N 2.96Å; Q217-I221 VanDerWaalsContact O-N 3.12Å |
| 218 | G | 81.3 | Confident | 88.2 | Confident | 31 Ų | 31 | 102.8 Ų | 102.8 | 32% | 0.32 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -49.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | D214 L220 I221 E222 | D214-G218 PolarHBondContact O-N 3.27Å; G218-L220 VanDerWaalsContact C-N 3.33Å; G218-L220 PolarHBondContact O-N 3.17Å; G218-I221 PolarHBondContact O-N 2.85Å; G218-E222 PolarHBondContact O-N 2.96Å; G218-E222 VanDerWaalsContact O-N 3.08Å |
| 219 | S | 83.9 | Confident | 88.3 | Confident | 54 Ų | 54 | 105.6 Ų | 105.6 | 38% | 0.378 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 179.9 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | Q215 A216 L223 | Q215-S219 WeakPolarHBondContact O-CB 3.4Å; Q215-S219 PolarHBondContact O-N 3.26Å; Q215-S219 VanDerWaalsContact O-N 3.15Å; Q215-S219 PolarHBondContact O-OG 2.84Å; A216-S219 PolarHBondContact O-OG 2.9Å; S219-L223 WeakPolarHBondContact O-CB 3.47Å; S219-L223 VanDerWaalsContact O-CG 3.27Å; S219-L223 WeakPolarHBondContact O-CG 3.47Å; S219-L223 PolarHBondContact O-N 3.44Å |
| 220 | L | 84.2 | Confident | 88.6 | Confident | 98 Ų | 98 | 102.9 Ų | 102.9 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 178.5 | -168.4 | 125.5 | 0 | 0 | 0 | 111.6 | A216 Q217 G218 L223 E224 | A216-L220 VanDerWaalsContact O-CB 3.28Å; A216-L220 WeakPolarHBondContact O-CB 3.45Å; A216-L220 PolarHBondContact O-N 3.36Å; Q217-L220 PolarHBondContact O-N 2.98Å; G218-L220 VanDerWaalsContact C-N 3.33Å; G218-L220 PolarHBondContact O-N 3.17Å; L220-L223 PolarHBondContact O-N 2.82Å; L220-E224 WeakPolarHBondContact O-CG 3.2Å; L220-E224 PolarHBondContact O-N 2.95Å |
| 221 | I | 86.9 | Confident | 88.7 | Confident | 87 Ų | 87 | 102 Ų | 102 | 45% | 0.446 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 178.1 | -67.2 | 166 | 0 | 0 | 0 | 111.2 | Q217 G218 E224 K225 | Q217-I221 WeakPolarHBondContact O-CD1 3.33Å; Q217-I221 VanDerWaalsContact O-CG1 3.28Å; Q217-I221 WeakPolarHBondContact O-CG1 3.35Å; Q217-I221 PolarHBondContact O-N 2.96Å; Q217-I221 VanDerWaalsContact O-N 3.12Å; G218-I221 PolarHBondContact O-N 2.85Å; I221-E224 PolarHBondContact O-N 3.33Å; I221-K225 HydrophobicContact CG2-CD 4.43Å; I221-K225 WeakPolarHBondContact O-CG 3.48Å; I221-K225 PolarHBondContact O-N 2.91Å |
| 222 | E | 86.8 | Confident | 88.9 | Confident | 137 Ų | 137 | 98.7 Ų | 98.7 | 64% | 0.64 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66 | -42.1 | 178.3 | -73.5 | 179.9 | 177.2 | 0 | 0 | 112.2 | G218 E224 K225 L226 | G218-E222 PolarHBondContact O-N 2.96Å; G218-E222 VanDerWaalsContact O-N 3.08Å; E222-E224 VanDerWaalsContact C-N 3.33Å; E222-E224 PolarHBondContact O-N 3.44Å; E222-K225 PolarHBondContact O-N 3.37Å; E222-L226 WeakPolarHBondContact O-CB 3.27Å; E222-L226 PolarHBondContact O-N 2.89Å |
| 223 | L | 87.8 | Confident | 89.4 | Confident | 100 Ų | 100 | 93.6 Ų | 93.6 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 175.4 | -77.2 | 171.5 | 0 | 0 | 0 | 112.3 | S219 L220 K227 | S219-L223 WeakPolarHBondContact O-CB 3.47Å; S219-L223 VanDerWaalsContact O-CG 3.27Å; S219-L223 WeakPolarHBondContact O-CG 3.47Å; S219-L223 PolarHBondContact O-N 3.44Å; L220-L223 PolarHBondContact O-N 2.82Å; L223-K227 WeakPolarHBondContact O-CB 3.49Å; L223-K227 VanDerWaalsContact O-CG 3.25Å; L223-K227 WeakPolarHBondContact O-CG 3.35Å; L223-K227 PolarHBondContact O-N 3.35Å |
| 224 | E | 89.7 | Confident | 89.8 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.2 | -43 | 175.6 | -76.5 | -179.9 | 174.9 | 0 | 0 | 112.2 | L220 I221 E222 K227 A228 | L220-E224 WeakPolarHBondContact O-CG 3.2Å; L220-E224 PolarHBondContact O-N 2.95Å; I221-E224 PolarHBondContact O-N 3.33Å; E222-E224 VanDerWaalsContact C-N 3.33Å; E222-E224 PolarHBondContact O-N 3.44Å; E224-K227 PolarHBondContact O-N 3.4Å; E224-A228 PolarHBondContact O-N 2.88Å |
| 225 | K | 92.4 | Very high | 90.3 | Very high | 132 Ų | 132 | 98 Ų | 98 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.1 | -48.6 | 174.3 | -74.4 | 176.9 | -178.2 | 176.9 | 0 | 111.7 | I221 E222 K227 A228 E229 | I221-K225 HydrophobicContact CG2-CD 4.43Å; I221-K225 WeakPolarHBondContact O-CG 3.48Å; I221-K225 PolarHBondContact O-N 2.91Å; E222-K225 PolarHBondContact O-N 3.37Å; K225-K227 VanDerWaalsContact C-N 3.32Å; K225-K227 PolarHBondContact O-N 2.89Å; K225-A228 WeakPolarHBondContact O-CB 3.48Å; K225-A228 PolarHBondContact O-N 2.92Å; K225-A228 VanDerWaalsContact O-N 3.13Å; K225-E229 WeakPolarHBondContact O-CG 3.41Å; K225-E229 PolarHBondContact O-N 3.46Å |
| 226 | L | 93.5 | Very high | 90.9 | Very high | 111 Ų | 111 | 97.7 Ų | 97.7 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -37.8 | -179.1 | -168.2 | 66.7 | 0 | 0 | 0 | 111.8 | E222 E229 H230 | E222-L226 WeakPolarHBondContact O-CB 3.27Å; E222-L226 PolarHBondContact O-N 2.89Å; L226-E229 PolarHBondContact O-N 2.65Å; L226-H230 VanDerWaalsContact O-CB 3.28Å; L226-H230 WeakPolarHBondContact O-CB 3.41Å; L226-H230 PolarHBondContact O-N 2.85Å |
| 227 | K | 93.9 | Very high | 91.7 | Very high | 135 Ų | 135 | 99.2 Ų | 99.2 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -41.9 | 172.9 | -78.5 | 175.3 | -178 | 176.6 | 0 | 112.2 | L223 E224 K225 H230 N231 | L223-K227 WeakPolarHBondContact O-CB 3.49Å; L223-K227 VanDerWaalsContact O-CG 3.25Å; L223-K227 WeakPolarHBondContact O-CG 3.35Å; L223-K227 PolarHBondContact O-N 3.35Å; E224-K227 PolarHBondContact O-N 3.4Å; K225-K227 VanDerWaalsContact C-N 3.32Å; K225-K227 PolarHBondContact O-N 2.89Å; K227-H230 PolarHBondContact O-N 3.2Å; K227-N231 WeakPolarHBondContact O-CB 3.26Å; K227-N231 VanDerWaalsContact O-CG 3.24Å; K227-N231 PolarHBondContact O-N 2.93Å; K227-N231 PolarHBondContact O-ND2 3.19Å |
| 228 | A | 95.1 | Very high | 92.3 | Very high | 64 Ų | 64 | 98.1 Ų | 98.1 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E224 K225 N231 G232 | E224-A228 PolarHBondContact O-N 2.88Å; K225-A228 WeakPolarHBondContact O-CB 3.48Å; K225-A228 PolarHBondContact O-N 2.92Å; K225-A228 VanDerWaalsContact O-N 3.13Å; A228-N231 PolarHBondContact O-N 3.31Å; A228-G232 PolarHBondContact O-N 3.39Å |
| 229 | E | 95.1 | Very high | 93.1 | Very high | 134 Ų | 134 | 103 Ų | 103 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -44.8 | 176 | -72.1 | 179.7 | -173.6 | 0 | 0 | 112.3 | K225 L226 N231 G232 C233 | K225-E229 WeakPolarHBondContact O-CG 3.41Å; K225-E229 PolarHBondContact O-N 3.46Å; L226-E229 PolarHBondContact O-N 2.65Å; E229-N231 VanDerWaalsContact C-N 3.33Å; E229-N231 PolarHBondContact O-N 2.88Å; E229-G232 PolarHBondContact O-N 3.48Å; E229-C233 WeakPolarHBondContact O-CB 3.39Å; E229-C233 PolarHBondContact O-N 2.99Å |
| 230 | H | 95.9 | Very high | 93.7 | Very high | 122 Ų | 122 | 104.4 Ų | 104.4 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.3 | -45.4 | 176 | 175.1 | -85.5 | 0 | 0 | 0 | 111.6 | L226 K227 C233 K234 | L226-H230 VanDerWaalsContact O-CB 3.28Å; L226-H230 WeakPolarHBondContact O-CB 3.41Å; L226-H230 PolarHBondContact O-N 2.85Å; K227-H230 PolarHBondContact O-N 3.2Å; H230-C233 PolarHBondContact O-N 3.36Å; H230-K234 WeakPolarHBondContact O-CB 3.36Å; H230-K234 PolarHBondContact O-N 3.44Å |
| 231 | N | 95.1 | Very high | 94.3 | Very high | 86 Ų | 86 | 104 Ų | 104 | 46% | 0.46 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.3 | -70.8 | -19.7 | 0 | 0 | 0 | 111.7 | K227 A228 E229 C233 K234 D235 | K227-N231 WeakPolarHBondContact O-CB 3.26Å; K227-N231 VanDerWaalsContact O-CG 3.24Å; K227-N231 PolarHBondContact O-N 2.93Å; K227-N231 PolarHBondContact O-ND2 3.19Å; A228-N231 PolarHBondContact O-N 3.31Å; E229-N231 VanDerWaalsContact C-N 3.33Å; E229-N231 PolarHBondContact O-N 2.88Å; N231-C233 VanDerWaalsContact C-N 3.32Å; N231-C233 PolarHBondContact O-N 3.3Å; N231-K234 WeakPolarHBondContact O-CB 3.49Å; N231-K234 PolarHBondContact O-N 3Å; N231-D235 PolarHBondContact O-N 2.92Å |
| 232 | G | 95.7 | Very high | 94.8 | Very high | 40 Ų | 40 | 105.6 Ų | 105.6 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A228 E229 K236 | A228-G232 PolarHBondContact O-N 3.39Å; E229-G232 PolarHBondContact O-N 3.48Å; G232-K236 WeakPolarHBondContact O-CB 3.36Å; G232-K236 PolarHBondContact O-N 2.93Å; G232-K236 VanDerWaalsContact O-N 3.13Å |
| 233 | C | 96.5 | Very high | 95.3 | Very high | 72 Ų | 72 | 107.1 Ų | 107.1 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 175 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | E229 H230 N231 D235 K236 I237 | E229-C233 WeakPolarHBondContact O-CB 3.39Å; E229-C233 PolarHBondContact O-N 2.99Å; H230-C233 PolarHBondContact O-N 3.36Å; N231-C233 VanDerWaalsContact C-N 3.32Å; N231-C233 PolarHBondContact O-N 3.3Å; C233-D235 PolarHBondContact O-N 3Å; C233-K236 PolarHBondContact O-N 3.36Å; C233-I237 WeakPolarHBondContact O-CG1 3.3Å; C233-I237 PolarHBondContact O-N 2.9Å |
| 234 | K | 97 | Very high | 95.7 | Very high | 126 Ų | 126 | 106.5 Ų | 106.5 | 55% | 0.548 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.7 | -47.7 | 176.7 | -175.4 | -177.4 | 176.9 | -174.7 | 0 | 111.7 | H230 N231 K236 I237 E238 | H230-K234 WeakPolarHBondContact O-CB 3.36Å; H230-K234 PolarHBondContact O-N 3.44Å; N231-K234 WeakPolarHBondContact O-CB 3.49Å; N231-K234 PolarHBondContact O-N 3Å; K234-K236 VanDerWaalsContact C-N 3.32Å; K234-K236 PolarHBondContact O-N 3.32Å; K234-I237 PolarHBondContact O-N 3.44Å; K234-E238 PolarHBondContact O-N 3.22Å |
| 235 | D | 96.9 | Very high | 95.9 | Very high | 90 Ų | 90 | 105.5 Ų | 105.5 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 178.7 | -68.8 | -13.5 | 0 | 0 | 0 | 111.5 | N231 C233 E238 Q239 | N231-D235 PolarHBondContact O-N 2.92Å; C233-D235 PolarHBondContact O-N 3Å; D235-E238 PolarHBondContact O-N 3Å; D235-Q239 WeakPolarHBondContact O-CG 3.48Å; D235-Q239 PolarHBondContact O-N 3.02Å |
| 236 | K | 97.4 | Very high | 96 | Very high | 138 Ų | 138 | 103 Ų | 103 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 177.5 | -170.2 | 173.5 | -177.2 | 178.3 | 0 | 112.3 | G232 C233 K234 E238 Q239 L240 | G232-K236 WeakPolarHBondContact O-CB 3.36Å; G232-K236 PolarHBondContact O-N 2.93Å; G232-K236 VanDerWaalsContact O-N 3.13Å; C233-K236 PolarHBondContact O-N 3.36Å; K234-K236 VanDerWaalsContact C-N 3.32Å; K234-K236 PolarHBondContact O-N 3.32Å; K236-E238 VanDerWaalsContact C-N 3.35Å; K236-Q239 PolarHBondContact O-N 3.38Å; K236-L240 HydrophobicContact CG-CD1 4.34Å; K236-L240 WeakPolarHBondContact O-CB 3.35Å; K236-L240 VanDerWaalsContact O-CG 3.32Å; K236-L240 WeakPolarHBondContact O-CG 3.46Å; K236-L240 PolarHBondContact O-N 2.7Å |
| 237 | I | 97.1 | Very high | 96.1 | Very high | 90 Ų | 90 | 101.3 Ų | 101.3 | 46% | 0.462 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 174.7 | -71.4 | 168.6 | 0 | 0 | 0 | 110.1 | C233 K234 Q239 L240 N241 | C233-I237 WeakPolarHBondContact O-CG1 3.3Å; C233-I237 PolarHBondContact O-N 2.9Å; K234-I237 PolarHBondContact O-N 3.44Å; I237-Q239 PolarHBondContact O-N 2.92Å; I237-L240 PolarHBondContact O-N 2.93Å; I237-N241 WeakPolarHBondContact O-CB 3.24Å; I237-N241 VanDerWaalsContact O-CG 3.32Å; I237-N241 PolarHBondContact O-N 3.38Å; I237-N241 PolarHBondContact O-ND2 3.4Å |
| 238 | E | 97 | Very high | 96.1 | Very high | 95 Ų | 95 | 98.9 Ų | 98.9 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 178.4 | -166.3 | -175.9 | 150.6 | 0 | 0 | 112 | K234 D235 K236 N241 K242 | K234-E238 PolarHBondContact O-N 3.22Å; D235-E238 PolarHBondContact O-N 3Å; K236-E238 VanDerWaalsContact C-N 3.35Å; E238-N241 PolarHBondContact O-N 2.76Å; E238-K242 WeakPolarHBondContact O-CG 3.41Å; E238-K242 PolarHBondContact O-N 2.91Å; E238-K242 VanDerWaalsContact OE1-CE 3.26Å; E238-K242 WeakPolarHBondContact OE1-CE 3.25Å; E238-K242 IonicContact OE1-NZ 2.68Å; E238-K242 PolarHBondContact OE1-NZ 3.48Å |
| 239 | Q | 96.7 | Very high | 95.9 | Very high | 134 Ų | 134 | 102.1 Ų | 102.1 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 175.1 | -73.1 | 177.7 | 15 | 0 | 0 | 112.3 | D235 K236 I237 K242 R243 | D235-Q239 WeakPolarHBondContact O-CG 3.48Å; D235-Q239 PolarHBondContact O-N 3.02Å; K236-Q239 PolarHBondContact O-N 3.38Å; I237-Q239 PolarHBondContact O-N 2.92Å; Q239-K242 PolarHBondContact O-N 3.27Å; Q239-R243 PolarHBondContact O-N 2.89Å |
| 240 | L | 97.1 | Very high | 95.9 | Very high | 84 Ų | 84 | 100.5 Ų | 100.5 | 44% | 0.44 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 177.8 | -73.9 | 173.9 | 0 | 0 | 0 | 111.5 | K236 I237 K242 R243 I244 | K236-L240 HydrophobicContact CG-CD1 4.34Å; K236-L240 WeakPolarHBondContact O-CB 3.35Å; K236-L240 VanDerWaalsContact O-CG 3.32Å; K236-L240 WeakPolarHBondContact O-CG 3.46Å; K236-L240 PolarHBondContact O-N 2.7Å; I237-L240 PolarHBondContact O-N 2.93Å; L240-K242 PolarHBondContact O-N 3.3Å; L240-R243 WeakPolarHBondContact O-CB 3.31Å; L240-R243 PolarHBondContact O-N 2.99Å; L240-R243 VanDerWaalsContact O-N 3.17Å; L240-I244 WeakPolarHBondContact O-CG1 3.42Å; L240-I244 PolarHBondContact O-N 3.46Å |
| 241 | N | 97.1 | Very high | 95.8 | Very high | 89 Ų | 89 | 98.7 Ų | 98.7 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 175.2 | -74.7 | -23.1 | 0 | 0 | 0 | 111.6 | I237 E238 R243 I244 T245 | I237-N241 WeakPolarHBondContact O-CB 3.24Å; I237-N241 VanDerWaalsContact O-CG 3.32Å; I237-N241 PolarHBondContact O-N 3.38Å; I237-N241 PolarHBondContact O-ND2 3.4Å; E238-N241 PolarHBondContact O-N 2.76Å; N241-R243 VanDerWaalsContact C-N 3.28Å; N241-R243 PolarHBondContact O-N 3.25Å; N241-I244 PolarHBondContact O-N 3.38Å; N241-T245 PolarHBondContact O-N 2.93Å; N241-T245 PolarHBondContact O-OG1 2.87Å; N241-T245 VanDerWaalsContact O-OG1 3.08Å |
| 242 | K | 96.8 | Very high | 95.6 | Very high | 121 Ų | 121 | 97.1 Ų | 97.1 | 53% | 0.526 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 173.9 | -73.1 | 173.4 | -175.3 | 166.2 | 0 | 112.3 | E238 Q239 L240 T246 | E238-K242 WeakPolarHBondContact O-CG 3.41Å; E238-K242 PolarHBondContact O-N 2.91Å; E238-K242 VanDerWaalsContact OE1-CE 3.26Å; E238-K242 WeakPolarHBondContact OE1-CE 3.25Å; E238-K242 IonicContact OE1-NZ 2.68Å; E238-K242 PolarHBondContact OE1-NZ 3.48Å; Q239-K242 PolarHBondContact O-N 3.27Å; L240-K242 PolarHBondContact O-N 3.3Å; K242-T246 PolarHBondContact O-N 3.48Å; K242-T246 VanDerWaalsContact O-N 3.08Å; K242-T246 PolarHBondContact O-OG1 3.07Å |
| 243 | R | 96.9 | Very high | 95.3 | Very high | 168 Ų | 168 | 98.6 Ų | 98.6 | 63% | 0.634 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.5 | -44.1 | 176.5 | -174.5 | 175.6 | -179.6 | 177.4 | -0.4 | 111.9 | Q239 L240 N241 T246 L247 | Q239-R243 PolarHBondContact O-N 2.89Å; L240-R243 WeakPolarHBondContact O-CB 3.31Å; L240-R243 PolarHBondContact O-N 2.99Å; L240-R243 VanDerWaalsContact O-N 3.17Å; N241-R243 VanDerWaalsContact C-N 3.28Å; N241-R243 PolarHBondContact O-N 3.25Å; R243-T246 PolarHBondContact O-N 3.5Å; R243-L247 HydrophobicContact CG-CD1 3.99Å; R243-L247 HydrophobicContact CG-CG 4.41Å; R243-L247 WeakPolarHBondContact O-CB 3.45Å; R243-L247 WeakPolarHBondContact O-CG 3.38Å; R243-L247 PolarHBondContact O-N 3.43Å |
| 244 | I | 96.3 | Very high | 95.2 | Very high | 88 Ų | 88 | 100.6 Ų | 100.6 | 45% | 0.451 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 176.7 | -71.6 | 167 | 0 | 0 | 0 | 110.1 | L240 N241 T246 L247 N248 | L240-I244 WeakPolarHBondContact O-CG1 3.42Å; L240-I244 PolarHBondContact O-N 3.46Å; N241-I244 PolarHBondContact O-N 3.38Å; I244-T246 VanDerWaalsContact C-N 3.33Å; I244-T246 PolarHBondContact O-N 3.05Å; I244-L247 PolarHBondContact O-N 3.03Å; I244-N248 WeakPolarHBondContact O-CB 3.35Å; I244-N248 VanDerWaalsContact O-CG 3.29Å; I244-N248 PolarHBondContact O-N 3.36Å |
| 245 | T | 94.1 | Very high | 95.1 | Very high | 97 Ų | 97 | 96.9 Ų | 96.9 | 60% | 0.595 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.4 | -44 | 177.1 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | N241 K249 | N241-T245 PolarHBondContact O-N 2.93Å; N241-T245 PolarHBondContact O-OG1 2.87Å; N241-T245 VanDerWaalsContact O-OG1 3.08Å; T245-K249 PolarHBondContact O-N 3.29Å; T245-K249 VanDerWaalsContact O-N 3.09Å |
| 246 | T | 94.8 | Very high | 94.8 | Very high | 78 Ų | 78 | 95.2 Ų | 95.2 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 176.8 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | K242 R243 I244 K249 Q250 | K242-T246 PolarHBondContact O-N 3.48Å; K242-T246 VanDerWaalsContact O-N 3.08Å; K242-T246 PolarHBondContact O-OG1 3.07Å; R243-T246 PolarHBondContact O-N 3.5Å; I244-T246 VanDerWaalsContact C-N 3.33Å; I244-T246 PolarHBondContact O-N 3.05Å; T246-K249 PolarHBondContact O-N 3.39Å; T246-Q250 WeakPolarHBondContact O-CG 3.5Å; T246-Q250 PolarHBondContact O-N 2.84Å |
| 247 | L | 96.3 | Very high | 94.7 | Very high | 77 Ų | 77 | 94.2 Ų | 94.2 | 40% | 0.403 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 179.9 | -74.3 | 171.5 | 0 | 0 | 0 | 111.9 | R243 I244 K249 Q250 V251 | R243-L247 HydrophobicContact CG-CD1 3.99Å; R243-L247 HydrophobicContact CG-CG 4.41Å; R243-L247 WeakPolarHBondContact O-CB 3.45Å; R243-L247 WeakPolarHBondContact O-CG 3.38Å; R243-L247 PolarHBondContact O-N 3.43Å; I244-L247 PolarHBondContact O-N 3.03Å; L247-K249 VanDerWaalsContact C-N 3.31Å; L247-K249 PolarHBondContact O-N 2.91Å; L247-Q250 PolarHBondContact O-N 3.25Å; L247-V251 WeakPolarHBondContact O-CG2 3.31Å; L247-V251 PolarHBondContact O-N 3.38Å |
| 248 | N | 92.8 | Very high | 94.6 | Very high | 84 Ų | 84 | 94.3 Ų | 94.3 | 45% | 0.449 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 175.6 | -75.7 | -16.5 | 0 | 0 | 0 | 111 | I244 Q250 V251 E252 | I244-N248 WeakPolarHBondContact O-CB 3.35Å; I244-N248 VanDerWaalsContact O-CG 3.29Å; I244-N248 PolarHBondContact O-N 3.36Å; N248-Q250 PolarHBondContact O-N 3.39Å; N248-V251 PolarHBondContact O-N 3.06Å; N248-E252 WeakPolarHBondContact O-CG 3.45Å; N248-E252 PolarHBondContact O-N 3.32Å |
| 249 | K | 91.8 | Very high | 94.5 | Very high | 131 Ų | 131 | 90.6 Ų | 90.6 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.6 | -44.7 | 174.8 | -176.8 | 176.1 | 178.9 | 179.9 | 0 | 112.1 | T245 T246 L247 V251 E252 D253 | T245-K249 PolarHBondContact O-N 3.29Å; T245-K249 VanDerWaalsContact O-N 3.09Å; T246-K249 PolarHBondContact O-N 3.39Å; L247-K249 VanDerWaalsContact C-N 3.31Å; L247-K249 PolarHBondContact O-N 2.91Å; K249-V251 PolarHBondContact O-N 3.1Å; K249-E252 PolarHBondContact O-N 3.31Å; K249-D253 WeakPolarHBondContact O-CB 3.24Å; K249-D253 VanDerWaalsContact O-CG 3.24Å; K249-D253 PolarHBondContact O-N 3.44Å |
| 250 | Q | 94.8 | Very high | 94.4 | Very high | 101 Ų | 101 | 85.8 Ų | 85.8 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 176.9 | -74.4 | 176.7 | -17 | 0 | 0 | 112.1 | T246 L247 N248 E252 D253 Q254 | T246-Q250 WeakPolarHBondContact O-CG 3.5Å; T246-Q250 PolarHBondContact O-N 2.84Å; L247-Q250 PolarHBondContact O-N 3.25Å; N248-Q250 PolarHBondContact O-N 3.39Å; Q250-E252 VanDerWaalsContact C-N 3.34Å; Q250-D253 PolarHBondContact O-N 2.8Å; Q250-Q254 VanDerWaalsContact O-CB 3.31Å; Q250-Q254 WeakPolarHBondContact O-CB 3.39Å; Q250-Q254 VanDerWaalsContact O-CG 3.24Å; Q250-Q254 WeakPolarHBondContact O-CG 3.33Å; Q250-Q254 PolarHBondContact O-N 3.05Å |
| 251 | V | 93.3 | Very high | 94.3 | Very high | 83 Ų | 83 | 86.3 Ų | 86.3 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 177.5 | 170 | 0 | 0 | 0 | 0 | 111.1 | L247 N248 K249 S255 | L247-V251 WeakPolarHBondContact O-CG2 3.31Å; L247-V251 PolarHBondContact O-N 3.38Å; N248-V251 PolarHBondContact O-N 3.06Å; K249-V251 PolarHBondContact O-N 3.1Å; V251-S255 VanDerWaalsContact O-CB 3.25Å; V251-S255 WeakPolarHBondContact O-CB 3.48Å; V251-S255 PolarHBondContact O-N 2.97Å; V251-S255 PolarHBondContact O-OG 3.46Å |
| 252 | E | 90.5 | Very high | 94.2 | Very high | 53 Ų | 53 | 86.8 Ų | 86.8 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 175 | -75.5 | 174.3 | -167.9 | 0 | 0 | 111.8 | N248 K249 Q250 S255 D256 K322 R325 | N248-E252 WeakPolarHBondContact O-CG 3.45Å; N248-E252 PolarHBondContact O-N 3.32Å; K249-E252 PolarHBondContact O-N 3.31Å; Q250-E252 VanDerWaalsContact C-N 3.34Å; E252-S255 PolarHBondContact O-N 2.97Å; E252-D256 PolarHBondContact O-N 3.47Å; E252-K322 VanDerWaalsContact OE2-CE 3.26Å; E252-K322 WeakPolarHBondContact OE2-CE 3.35Å; E252-K322 IonicContact OE2-NZ 2.67Å; E252-R325 IonicContact OE1-NH1 3.66Å |
| 253 | D | 91.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 82.1 Ų | 82.1 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | -178.4 | -66.5 | -17.2 | 0 | 0 | 0 | 110.9 | K249 Q250 S255 D256 E257 K322 | K249-D253 WeakPolarHBondContact O-CB 3.24Å; K249-D253 VanDerWaalsContact O-CG 3.24Å; K249-D253 PolarHBondContact O-N 3.44Å; Q250-D253 PolarHBondContact O-N 2.8Å; D253-S255 PolarHBondContact O-N 3.48Å; D253-D256 PolarHBondContact O-N 3.34Å; D253-E257 WeakPolarHBondContact O-CB 3.3Å; D253-E257 PolarHBondContact O-N 2.89Å; D253-K322 IonicContact OD1-NZ 3.57Å; D253-K322 PolarHBondContact OD1-NZ 3.4Å |
| 254 | Q | 94.5 | Very high | 94.1 | Very high | 114 Ų | 114 | 80 Ų | 80 | 53% | 0.533 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 174.6 | -74.4 | 179.8 | -33.7 | 0 | 0 | 112.7 | Q250 E257 I258 | Q250-Q254 VanDerWaalsContact O-CB 3.31Å; Q250-Q254 WeakPolarHBondContact O-CB 3.39Å; Q250-Q254 VanDerWaalsContact O-CG 3.24Å; Q250-Q254 WeakPolarHBondContact O-CG 3.33Å; Q250-Q254 PolarHBondContact O-N 3.05Å; Q254-E257 PolarHBondContact O-N 3.37Å; Q254-I258 WeakPolarHBondContact O-CB 3.4Å; Q254-I258 VanDerWaalsContact O-CG1 3.24Å; Q254-I258 WeakPolarHBondContact O-CG1 3.31Å; Q254-I258 PolarHBondContact O-N 2.94Å |
| 255 | S | 93.3 | Very high | 94.1 | Very high | 48 Ų | 48 | 79.2 Ų | 79.2 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 178 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | V251 E252 D253 L259 | V251-S255 VanDerWaalsContact O-CB 3.25Å; V251-S255 WeakPolarHBondContact O-CB 3.48Å; V251-S255 PolarHBondContact O-N 2.97Å; V251-S255 PolarHBondContact O-OG 3.46Å; E252-S255 PolarHBondContact O-N 2.97Å; D253-S255 PolarHBondContact O-N 3.48Å; S255-L259 WeakPolarHBondContact O-CB 3.37Å; S255-L259 WeakPolarHBondContact O-CG 3.46Å; S255-L259 PolarHBondContact O-N 3.04Å; S255-L259 VanDerWaalsContact O-N 3.1Å |
| 256 | D | 91.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 75.5 Ų | 75.5 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 175.4 | -170.4 | 53.5 | 0 | 0 | 0 | 112 | E252 D253 L259 T260 R315 | E252-D256 PolarHBondContact O-N 3.47Å; D253-D256 PolarHBondContact O-N 3.34Å; D256-L259 PolarHBondContact O-N 2.92Å; D256-T260 WeakPolarHBondContact O-CB 3.45Å; D256-T260 PolarHBondContact O-N 3.47Å; D256-T260 PolarHBondContact O-OG1 3Å; D256-R315 IonicContact OD1-CZ 2.88Å; D256-R315 IonicContact OD1-NE 3.64Å; D256-R315 PolarHBondContact OD1-NE 3.07Å; D256-R315 IonicContact OD1-NH2 3.68Å; D256-R315 PolarHBondContact OD1-NH2 3.11Å; D256-R315 IonicContact OD2-NH2 3.15Å; D256-R315 PolarHBondContact OD2-NH2 2.86Å |
| 257 | E | 94.1 | Very high | 94.2 | Very high | 117 Ų | 117 | 74.7 Ų | 74.7 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 175.2 | -174.6 | 177 | -166.6 | 0 | 0 | 111.5 | D253 Q254 L259 T260 I261 | D253-E257 WeakPolarHBondContact O-CB 3.3Å; D253-E257 PolarHBondContact O-N 2.89Å; Q254-E257 PolarHBondContact O-N 3.37Å; E257-L259 VanDerWaalsContact C-N 3.31Å; E257-L259 PolarHBondContact O-N 3.31Å; E257-T260 WeakPolarHBondContact O-CB 3.4Å; E257-T260 PolarHBondContact O-N 3.18Å; E257-I261 HydrophobicContact CG-CD1 3.94Å; E257-I261 WeakPolarHBondContact O-CG1 3.38Å; E257-I261 PolarHBondContact O-N 2.93Å |
| 258 | I | 95.5 | Very high | 94.2 | Very high | 92 Ų | 92 | 74 Ų | 74 | 47% | 0.472 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 177.5 | -70.7 | 166.6 | 0 | 0 | 0 | 111.1 | Q254 K262 | Q254-I258 WeakPolarHBondContact O-CB 3.4Å; Q254-I258 VanDerWaalsContact O-CG1 3.24Å; Q254-I258 WeakPolarHBondContact O-CG1 3.31Å; Q254-I258 PolarHBondContact O-N 2.94Å; I258-K262 HydrophobicContact CG2-CD 4.19Å; I258-K262 WeakPolarHBondContact O-CB 3.33Å; I258-K262 WeakPolarHBondContact O-CG 3.41Å; I258-K262 PolarHBondContact O-N 2.96Å |
| 259 | L | 94.2 | Very high | 94.5 | Very high | 17 Ų | 17 | 71.8 Ų | 71.8 | 9% | 0.089 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 177.8 | -76.6 | 171 | 0 | 0 | 0 | 112 | S255 D256 E257 K262 L263 L311 R315 L318 | S255-L259 WeakPolarHBondContact O-CB 3.37Å; S255-L259 WeakPolarHBondContact O-CG 3.46Å; S255-L259 PolarHBondContact O-N 3.04Å; S255-L259 VanDerWaalsContact O-N 3.1Å; D256-L259 PolarHBondContact O-N 2.92Å; E257-L259 VanDerWaalsContact C-N 3.31Å; E257-L259 PolarHBondContact O-N 3.31Å; L259-K262 PolarHBondContact O-N 3Å; L259-L263 WeakPolarHBondContact O-CB 3.45Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 3.17Å; L259-L311 HydrophobicContact CD2-CD2 3.86Å; L259-R315 HydrophobicContact CB-CG 4.45Å; L259-R315 HydrophobicContact CD1-CB 4.07Å; L259-R315 HydrophobicContact CD1-CG 4.3Å; L259-L318 HydrophobicContact CD1-CD1 3.54Å |
| 260 | T | 94.5 | Very high | 94.7 | Very high | 34 Ų | 34 | 66 Ų | 66 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.9 | -51.6 | 176.2 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | D256 E257 K262 L263 E264 R315 | D256-T260 WeakPolarHBondContact O-CB 3.45Å; D256-T260 PolarHBondContact O-N 3.47Å; D256-T260 PolarHBondContact O-OG1 3Å; E257-T260 WeakPolarHBondContact O-CB 3.4Å; E257-T260 PolarHBondContact O-N 3.18Å; T260-K262 VanDerWaalsContact C-N 3.32Å; T260-K262 PolarHBondContact O-N 3.44Å; T260-L263 PolarHBondContact O-N 3.37Å; T260-L263 VanDerWaalsContact O-N 3.15Å; T260-E264 WeakPolarHBondContact O-CG 3.5Å; T260-E264 PolarHBondContact O-N 2.87Å; T260-R315 PolarHBondContact OG1-NH2 3.45Å |
| 261 | I | 95.4 | Very high | 94.7 | Very high | 95 Ų | 95 | 64.6 Ų | 64.6 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 178 | -66.5 | 167.1 | 0 | 0 | 0 | 111.2 | E257 E264 S265 | E257-I261 HydrophobicContact CG-CD1 3.94Å; E257-I261 WeakPolarHBondContact O-CG1 3.38Å; E257-I261 PolarHBondContact O-N 2.93Å; I261-E264 PolarHBondContact O-N 2.93Å; I261-S265 VanDerWaalsContact O-CB 3.31Å; I261-S265 WeakPolarHBondContact O-CB 3.35Å; I261-S265 PolarHBondContact O-N 3.4Å |
| 262 | K | 96 | Very high | 94.9 | Very high | 98 Ų | 98 | 66.4 Ų | 66.4 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 178 | -77.3 | -177.7 | 177.1 | -178.7 | 0 | 112.6 | I258 L259 T260 L266 L311 | I258-K262 HydrophobicContact CG2-CD 4.19Å; I258-K262 WeakPolarHBondContact O-CB 3.33Å; I258-K262 WeakPolarHBondContact O-CG 3.41Å; I258-K262 PolarHBondContact O-N 2.96Å; L259-K262 PolarHBondContact O-N 3Å; T260-K262 VanDerWaalsContact C-N 3.32Å; T260-K262 PolarHBondContact O-N 3.44Å; K262-L266 WeakPolarHBondContact O-CB 3.45Å; K262-L266 WeakPolarHBondContact O-CG 3.28Å; K262-L266 PolarHBondContact O-N 3.37Å; K262-L311 HydrophobicContact CB-CD1 4.03Å |
| 263 | L | 95.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 66.1 Ų | 66.1 | 12% | 0.12 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 176.7 | -77.2 | 169.7 | 0 | 0 | 0 | 111.5 | L259 T260 L266 T267 Q308 L311 | L259-L263 WeakPolarHBondContact O-CB 3.45Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 3.17Å; T260-L263 PolarHBondContact O-N 3.37Å; T260-L263 VanDerWaalsContact O-N 3.15Å; L263-L266 PolarHBondContact O-N 3Å; L263-T267 WeakPolarHBondContact O-CB 3.36Å; L263-T267 PolarHBondContact O-N 2.74Å; L263-T267 PolarHBondContact O-OG1 2.89Å; L263-Q308 HydrophobicContact CD2-CG 4.02Å; L263-L311 HydrophobicContact CD2-CB 3.84Å; L263-L311 HydrophobicContact CG-CB 4.34Å |
| 264 | E | 95.3 | Very high | 95.3 | Very high | 124 Ų | 124 | 67.1 Ų | 67.1 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 175.2 | -72.4 | 175.5 | 176 | 0 | 0 | 111.5 | T260 I261 L266 T267 A268 | T260-E264 WeakPolarHBondContact O-CG 3.5Å; T260-E264 PolarHBondContact O-N 2.87Å; I261-E264 PolarHBondContact O-N 2.93Å; E264-L266 PolarHBondContact O-N 3.06Å; E264-T267 WeakPolarHBondContact O-CB 3.44Å; E264-T267 PolarHBondContact O-N 3.46Å; E264-A268 PolarHBondContact O-N 3.38Å |
| 265 | S | 96.7 | Very high | 95.4 | Very high | 71 Ų | 71 | 64.6 Ų | 64.6 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 176 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | I261 T267 A268 S269 | I261-S265 VanDerWaalsContact O-CB 3.31Å; I261-S265 WeakPolarHBondContact O-CB 3.35Å; I261-S265 PolarHBondContact O-N 3.4Å; S265-T267 VanDerWaalsContact C-N 3.33Å; S265-T267 PolarHBondContact O-N 3.26Å; S265-A268 PolarHBondContact O-N 2.89Å; S265-S269 PolarHBondContact O-N 2.91Å; S265-S269 PolarHBondContact O-OG 2.9Å |
| 266 | L | 95.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 65.1 Ų | 65.1 | 11% | 0.105 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 175.5 | -78.3 | 176.9 | 0 | 0 | 0 | 112.5 | K262 L263 E264 A268 S269 L270 L304 Q307 Q308 L311 | K262-L266 WeakPolarHBondContact O-CB 3.45Å; K262-L266 WeakPolarHBondContact O-CG 3.28Å; K262-L266 PolarHBondContact O-N 3.37Å; L263-L266 PolarHBondContact O-N 3Å; E264-L266 PolarHBondContact O-N 3.06Å; L266-A268 VanDerWaalsContact C-N 3.35Å; L266-S269 PolarHBondContact O-N 3.48Å; L266-L270 WeakPolarHBondContact O-CB 3.43Å; L266-L270 WeakPolarHBondContact O-CG 3.41Å; L266-L270 PolarHBondContact O-N 3.03Å; L266-L304 HydrophobicContact CD2-CD2 3.62Å; L266-Q307 HydrophobicContact CD1-CB 4.14Å; L266-Q308 HydrophobicContact CB-CB 4.41Å; L266-Q308 HydrophobicContact CB-CG 4.47Å; L266-Q308 HydrophobicContact CD1-CB 4.18Å; L266-L311 HydrophobicContact CD1-CD1 3.57Å |
| 267 | T | 95.5 | Very high | 95.6 | Very high | 61 Ų | 61 | 63.4 Ų | 63.4 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 110.4 | L263 E264 S265 L270 C271 Q308 | L263-T267 WeakPolarHBondContact O-CB 3.36Å; L263-T267 PolarHBondContact O-N 2.74Å; L263-T267 PolarHBondContact O-OG1 2.89Å; E264-T267 WeakPolarHBondContact O-CB 3.44Å; E264-T267 PolarHBondContact O-N 3.46Å; S265-T267 VanDerWaalsContact C-N 3.33Å; S265-T267 PolarHBondContact O-N 3.26Å; T267-L270 PolarHBondContact O-N 3.39Å; T267-C271 PolarHBondContact O-N 3.48Å; T267-C271 PolarHBondContact O-SG 3.34Å; T267-Q308 PolarHBondContact OG1-NE2 2.86Å |
| 268 | A | 96.9 | Very high | 95.6 | Very high | 61 Ų | 61 | 60 Ų | 60 | 50% | 0.504 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E264 S265 L266 L270 C271 E272 | E264-A268 PolarHBondContact O-N 3.38Å; S265-A268 PolarHBondContact O-N 2.89Å; L266-A268 VanDerWaalsContact C-N 3.35Å; A268-L270 VanDerWaalsContact C-N 3.33Å; A268-L270 PolarHBondContact O-N 2.89Å; A268-C271 PolarHBondContact O-N 2.9Å; A268-E272 PolarHBondContact O-N 2.86Å |
| 269 | S | 97.2 | Very high | 95.6 | Very high | 39 Ų | 39 | 60.4 Ų | 60.4 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.2 | -36.7 | 176.1 | -66.2 | 0 | 0 | 0 | 0 | 112.9 | S265 L266 E272 K273 | S265-S269 PolarHBondContact O-N 2.91Å; S265-S269 PolarHBondContact O-OG 2.9Å; L266-S269 PolarHBondContact O-N 3.48Å; S269-E272 PolarHBondContact O-N 3.33Å; S269-K273 WeakPolarHBondContact O-CB 3.49Å; S269-K273 VanDerWaalsContact O-CG 3.26Å; S269-K273 WeakPolarHBondContact O-CG 3.38Å; S269-K273 PolarHBondContact O-N 3.42Å |
| 270 | L | 96.2 | Very high | 95.4 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 173.7 | -82.1 | 167.8 | 0 | 0 | 0 | 111.3 | L266 T267 A268 E272 K273 E274 R301 L304 Q305 Q308 | L266-L270 WeakPolarHBondContact O-CB 3.43Å; L266-L270 WeakPolarHBondContact O-CG 3.41Å; L266-L270 PolarHBondContact O-N 3.03Å; T267-L270 PolarHBondContact O-N 3.39Å; A268-L270 VanDerWaalsContact C-N 3.33Å; A268-L270 PolarHBondContact O-N 2.89Å; L270-E272 VanDerWaalsContact C-N 3.29Å; L270-E272 PolarHBondContact O-N 3.47Å; L270-K273 PolarHBondContact O-N 2.65Å; L270-K273 VanDerWaalsContact O-N 3.14Å; L270-E274 WeakPolarHBondContact O-CB 3.43Å; L270-E274 WeakPolarHBondContact O-CG 3.44Å; L270-E274 PolarHBondContact O-N 3.48Å; L270-R301 HydrophobicContact CD2-CG 3.97Å; L270-R301 WeakPolarHBondContact CD2-O 3.31Å; L270-L304 HydrophobicContact CD2-CB 3.6Å; L270-L304 HydrophobicContact CG-CB 3.92Å; L270-Q305 HydrophobicContact CD2-CB 4.15Å; L270-Q308 HydrophobicContact CD1-CB 4.23Å; L270-Q308 HydrophobicContact CD1-CG 4.46Å |
| 271 | C | 96.4 | Very high | 95.2 | Very high | 70 Ų | 70 | 65 Ų | 65 | 47% | 0.473 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.8 | -41.6 | 176.2 | -69 | 0 | 0 | 0 | 0 | 111.9 | T267 A268 E274 A275 | T267-C271 PolarHBondContact O-N 3.48Å; T267-C271 PolarHBondContact O-SG 3.34Å; A268-C271 PolarHBondContact O-N 2.9Å; C271-E274 PolarHBondContact O-N 3.15Å; C271-A275 WeakPolarHBondContact O-CB 3.41Å; C271-A275 PolarHBondContact O-N 2.97Å |
| 272 | E | 96.2 | Very high | 95.1 | Very high | 121 Ų | 121 | 67.7 Ų | 67.7 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 176 | -170.9 | -170.7 | 167.5 | 0 | 0 | 111.6 | A268 S269 L270 A275 N276 | A268-E272 PolarHBondContact O-N 2.86Å; S269-E272 PolarHBondContact O-N 3.33Å; L270-E272 VanDerWaalsContact C-N 3.29Å; L270-E272 PolarHBondContact O-N 3.47Å; E272-A275 PolarHBondContact O-N 3.46Å; E272-N276 WeakPolarHBondContact O-CB 3.39Å; E272-N276 VanDerWaalsContact O-CG 3.26Å; E272-N276 PolarHBondContact O-N 2.89Å; E272-N276 PolarHBondContact O-ND2 2.87Å; E272-N276 VanDerWaalsContact O-ND2 3.08Å |
| 273 | K | 95.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 67.7 Ų | 67.7 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 176.7 | -71.2 | -69.5 | 174.9 | 178 | 0 | 112 | S269 L270 N276 I277 L297 E300 R301 L304 | S269-K273 WeakPolarHBondContact O-CB 3.49Å; S269-K273 VanDerWaalsContact O-CG 3.26Å; S269-K273 WeakPolarHBondContact O-CG 3.38Å; S269-K273 PolarHBondContact O-N 3.42Å; L270-K273 PolarHBondContact O-N 2.65Å; L270-K273 VanDerWaalsContact O-N 3.14Å; K273-N276 PolarHBondContact O-N 3.34Å; K273-I277 WeakPolarHBondContact O-CB 3.47Å; K273-I277 VanDerWaalsContact O-CG1 3.26Å; K273-I277 WeakPolarHBondContact O-CG1 3.36Å; K273-I277 PolarHBondContact O-N 3.43Å; K273-L297 HydrophobicContact CD-CD2 3.89Å; K273-E300 WeakPolarHBondContact CE-OE2 3.4Å; K273-E300 IonicContact NZ-OE2 3.69Å; K273-E300 PolarHBondContact NZ-OE2 3.44Å; K273-R301 HydrophobicContact CB-CB 4.41Å; K273-L304 HydrophobicContact CG-CD1 3.94Å |
| 274 | E | 95.5 | Very high | 94.2 | Very high | 94 Ų | 94 | 67.9 Ų | 67.9 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 175.5 | -72.9 | 178.4 | 166.8 | 0 | 0 | 111.6 | L270 C271 I277 A278 R301 | L270-E274 WeakPolarHBondContact O-CB 3.43Å; L270-E274 WeakPolarHBondContact O-CG 3.44Å; L270-E274 PolarHBondContact O-N 3.48Å; C271-E274 PolarHBondContact O-N 3.15Å; E274-I277 PolarHBondContact O-N 2.89Å; E274-A278 WeakPolarHBondContact O-CB 3.39Å; E274-A278 PolarHBondContact O-N 2.69Å; E274-R301 HydrophobicContact CG-CG 4.3Å |
| 275 | A | 95.8 | Very high | 93.7 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C271 E272 A278 L279 | C271-A275 WeakPolarHBondContact O-CB 3.41Å; C271-A275 PolarHBondContact O-N 2.97Å; E272-A275 PolarHBondContact O-N 3.46Å; A275-A278 PolarHBondContact O-N 3.35Å; A275-L279 VanDerWaalsContact O-CB 3.3Å; A275-L279 WeakPolarHBondContact O-CB 3.37Å; A275-L279 PolarHBondContact O-N 2.89Å |
| 276 | N | 95.1 | Very high | 93.1 | Very high | 60 Ų | 60 | 72.9 Ų | 72.9 | 32% | 0.321 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 176.3 | -76.3 | -37 | 0 | 0 | 0 | 112.4 | E272 K273 L279 M280 L297 | E272-N276 WeakPolarHBondContact O-CB 3.39Å; E272-N276 VanDerWaalsContact O-CG 3.26Å; E272-N276 PolarHBondContact O-N 2.89Å; E272-N276 PolarHBondContact O-ND2 2.87Å; E272-N276 VanDerWaalsContact O-ND2 3.08Å; K273-N276 PolarHBondContact O-N 3.34Å; N276-L279 PolarHBondContact O-N 3.31Å; N276-M280 WeakPolarHBondContact O-CB 3.29Å; N276-M280 PolarHBondContact O-N 3.38Å; N276-L297 HydrophobicContact CB-CD1 4.27Å |
| 277 | I | 94.9 | Very high | 92.8 | Very high | 18 Ų | 18 | 75.1 Ų | 75.1 | 9% | 0.092 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.8 | -51.8 | 173.9 | -72.7 | 167 | 0 | 0 | 0 | 109.6 | K273 E274 L279 M280 E281 L294 L297 R298 R301 | K273-I277 WeakPolarHBondContact O-CB 3.47Å; K273-I277 VanDerWaalsContact O-CG1 3.26Å; K273-I277 WeakPolarHBondContact O-CG1 3.36Å; K273-I277 PolarHBondContact O-N 3.43Å; E274-I277 PolarHBondContact O-N 2.89Å; I277-L279 VanDerWaalsContact C-N 3.33Å; I277-L279 PolarHBondContact O-N 3.41Å; I277-M280 PolarHBondContact O-N 2.94Å; I277-E281 HydrophobicContact CG2-CG 4.39Å; I277-E281 WeakPolarHBondContact O-CB 3.45Å; I277-E281 WeakPolarHBondContact O-CG 3.44Å; I277-E281 PolarHBondContact O-N 2.97Å; I277-L294 HydrophobicContact CG2-CD1 4.05Å; I277-L297 HydrophobicContact CD1-CB 4.26Å; I277-L297 HydrophobicContact CG1-CB 3.76Å; I277-L297 HydrophobicContact CG1-CD1 4.35Å; I277-R298 HydrophobicContact CD1-CG 4.14Å; I277-R301 HydrophobicContact CD1-CB 4.08Å; I277-R301 HydrophobicContact CD1-CG 4.36Å |
| 278 | A | 94.2 | Very high | 92.3 | Very high | 44 Ų | 44 | 77.4 Ų | 77.4 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | E274 A275 E281 L282 | E274-A278 WeakPolarHBondContact O-CB 3.39Å; E274-A278 PolarHBondContact O-N 2.69Å; A275-A278 PolarHBondContact O-N 3.35Å; A278-E281 PolarHBondContact O-N 3.2Å; A278-L282 WeakPolarHBondContact O-CB 3.43Å; A278-L282 VanDerWaalsContact O-CG 3.27Å; A278-L282 WeakPolarHBondContact O-CG 3.35Å; A278-L282 PolarHBondContact O-N 3.5Å; A278-L282 VanDerWaalsContact O-N 3.1Å |
| 279 | L | 94.1 | Very high | 92 | Very high | 101 Ų | 101 | 79.1 Ų | 79.1 | 53% | 0.529 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 176.7 | -177.2 | 65.1 | 0 | 0 | 0 | 111.4 | A275 N276 I277 L282 T283 | A275-L279 VanDerWaalsContact O-CB 3.3Å; A275-L279 WeakPolarHBondContact O-CB 3.37Å; A275-L279 PolarHBondContact O-N 2.89Å; N276-L279 PolarHBondContact O-N 3.31Å; I277-L279 VanDerWaalsContact C-N 3.33Å; I277-L279 PolarHBondContact O-N 3.41Å; L279-L282 PolarHBondContact O-N 3.45Å; L279-T283 HydrophobicContact CD1-CG2 3.83Å; L279-T283 HydrophobicContact CG-CG2 4.43Å; L279-T283 WeakPolarHBondContact O-CB 3.39Å; L279-T283 WeakPolarHBondContact O-CG2 3.37Å; L279-T283 PolarHBondContact O-N 2.87Å; L279-T283 PolarHBondContact O-OG1 3.3Å |
| 280 | M | 91.6 | Very high | 91.5 | Very high | 40 Ų | 40 | 78.1 Ų | 78.1 | 20% | 0.197 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.8 | -35.2 | -178.9 | -159.7 | 161.7 | 65 | 0 | 0 | 112 | N276 I277 L282 T283 A284 A293 L294 L297 | N276-M280 WeakPolarHBondContact O-CB 3.29Å; N276-M280 PolarHBondContact O-N 3.38Å; I277-M280 PolarHBondContact O-N 2.94Å; M280-L282 VanDerWaalsContact C-N 3.26Å; M280-L282 PolarHBondContact O-N 3Å; M280-T283 PolarHBondContact O-N 3.27Å; M280-A284 HydrophobicContact CG-CB 3.62Å; M280-A284 WeakPolarHBondContact O-CB 3.48Å; M280-A284 PolarHBondContact O-N 2.99Å; M280-A293 HydrophobicContact CE-CB 4.08Å; M280-A293 HydrophobicContact SD-CB 4.14Å; M280-L294 HydrophobicContact CB-CD1 4.38Å; M280-L294 HydrophobicContact CE-CB 3.57Å; M280-L294 HydrophobicContact CE-CD1 3.52Å; M280-L294 HydrophobicContact CE-CG 4.15Å; M280-L297 HydrophobicContact CE-CD1 3.55Å; M280-L297 HydrophobicContact CE-CG 4.41Å; M280-L297 HydrophobicContact SD-CD1 4.33Å |
| 281 | E | 90.1 | Very high | 91.2 | Very high | 107 Ų | 107 | 82.1 Ų | 82.1 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.6 | -31.9 | 172.3 | -73.9 | 176.4 | 167.1 | 0 | 0 | 112.5 | I277 A278 L294 R298 | I277-E281 HydrophobicContact CG2-CG 4.39Å; I277-E281 WeakPolarHBondContact O-CB 3.45Å; I277-E281 WeakPolarHBondContact O-CG 3.44Å; I277-E281 PolarHBondContact O-N 2.97Å; A278-E281 PolarHBondContact O-N 3.2Å; E281-L294 HydrophobicContact CG-CD1 3.88Å; E281-L294 HydrophobicContact CG-CD2 3.86Å; E281-R298 IonicContact OE1-CZ 2.74Å; E281-R298 IonicContact OE1-NE 3.36Å; E281-R298 IonicContact OE1-NH2 3.51Å; E281-R298 PolarHBondContact OE1-NH2 3.46Å |
| 282 | L | 91.6 | Very high | 91 | Very high | 153 Ų | 153 | 85.5 Ų | 85.5 | 80% | 0.801 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -83.6 | -33.7 | 177.9 | -71.2 | 171.1 | 0 | 0 | 0 | 113.8 | A278 L279 M280 | A278-L282 WeakPolarHBondContact O-CB 3.43Å; A278-L282 VanDerWaalsContact O-CG 3.27Å; A278-L282 WeakPolarHBondContact O-CG 3.35Å; A278-L282 PolarHBondContact O-N 3.5Å; A278-L282 VanDerWaalsContact O-N 3.1Å; L279-L282 PolarHBondContact O-N 3.45Å; M280-L282 VanDerWaalsContact C-N 3.26Å; M280-L282 PolarHBondContact O-N 3Å |
| 283 | T | 90.8 | Very high | 90.7 | Very high | 97 Ų | 97 | 81.9 Ų | 81.9 | 60% | 0.595 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -111 | -22.3 | -166.6 | 60.2 | 0 | 0 | 0 | 0 | 114.7 | L279 M280 | L279-T283 HydrophobicContact CD1-CG2 3.83Å; L279-T283 HydrophobicContact CG-CG2 4.43Å; L279-T283 WeakPolarHBondContact O-CB 3.39Å; L279-T283 WeakPolarHBondContact O-CG2 3.37Å; L279-T283 PolarHBondContact O-N 2.87Å; L279-T283 PolarHBondContact O-OG1 3.3Å; M280-T283 PolarHBondContact O-N 3.27Å |
| 284 | A | 83.9 | Confident | 90.6 | Very high | 28 Ų | 28 | 80.3 Ų | 80.3 | 23% | 0.231 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -82.7 | 142.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M280 S290 | M280-A284 HydrophobicContact CG-CB 3.62Å; M280-A284 WeakPolarHBondContact O-CB 3.48Å; M280-A284 PolarHBondContact O-N 2.99Å; A284-S290 WeakPolarHBondContact CB-OG 3.4Å |
| 285 | P | 83.5 | Confident | 90.5 | Very high | 87 Ų | 87 | 80.5 Ų | 80.5 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | trans | -63.6 | 138.1 | 175.9 | 24.6 | -32 | 0 | 0 | 0 | 110.6 | N287 S290 | P285-N287 PolarHBondContact O-N 3.33Å; P285-S290 WeakPolarHBondContact O-CB 3.34Å | ||
| 286 | K | 83.7 | Confident | 90.4 | Very high | 212 Ų | 212 | 83.6 Ų | 83.6 | 92% | 0.922 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -70.8 | 67.7 | 178.7 | -65.1 | -175.6 | 179.1 | -179 | 0 | 111.9 | ||
| 287 | N | 89.3 | Confident | 90.3 | Very high | 67 Ų | 67 | 82.1 Ų | 82.1 | 36% | 0.358 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -124.2 | 167.5 | 176.9 | 69.2 | 29.4 | 0 | 0 | 0 | 111.3 | P285 T289 S290 N291 | P285-N287 PolarHBondContact O-N 3.33Å; N287-T289 VanDerWaalsContact C-N 3.33Å; N287-T289 PolarHBondContact O-N 3.21Å; N287-T289 PolarHBondContact OD1-N 3.46Å; N287-S290 PolarHBondContact O-N 3.41Å; N287-S290 WeakPolarHBondContact OD1-CB 3.26Å; N287-S290 PolarHBondContact OD1-N 2.87Å; N287-N291 PolarHBondContact O-N 3.49Å |
| 288 | T | 86.5 | Confident | 90.3 | Very high | 109 Ų | 109 | 85.5 Ų | 85.5 | 67% | 0.669 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.8 | -39.8 | -177.2 | 38.3 | 0 | 0 | 0 | 0 | 112.9 | N291 Q292 | T288-N291 PolarHBondContact O-N 3.29Å; T288-Q292 WeakPolarHBondContact O-CG 3.4Å; T288-Q292 PolarHBondContact O-N 2.94Å |
| 289 | T | 89.3 | Confident | 90.3 | Very high | 98 Ų | 98 | 88.7 Ų | 88.7 | 60% | 0.601 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.6 | -44 | -179.1 | -47.4 | 0 | 0 | 0 | 0 | 112.4 | N287 Q292 A293 | N287-T289 VanDerWaalsContact C-N 3.33Å; N287-T289 PolarHBondContact O-N 3.21Å; N287-T289 PolarHBondContact OD1-N 3.46Å; T289-Q292 PolarHBondContact O-N 3.3Å; T289-A293 PolarHBondContact O-N 2.86Å |
| 290 | S | 87.5 | Confident | 90.4 | Very high | 17 Ų | 17 | 86.6 Ų | 86.6 | 12% | 0.119 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 177 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | A284 P285 N287 Q292 A293 L294 | A284-S290 WeakPolarHBondContact CB-OG 3.4Å; P285-S290 WeakPolarHBondContact O-CB 3.34Å; N287-S290 PolarHBondContact O-N 3.41Å; N287-S290 WeakPolarHBondContact OD1-CB 3.26Å; N287-S290 PolarHBondContact OD1-N 2.87Å; S290-Q292 VanDerWaalsContact C-N 3.33Å; S290-Q292 PolarHBondContact O-N 3.44Å; S290-A293 PolarHBondContact O-N 3.16Å; S290-L294 WeakPolarHBondContact O-CB 3.4Å; S290-L294 PolarHBondContact O-N 3.42Å |
| 291 | N | 89.6 | Confident | 90.7 | Very high | 94 Ų | 94 | 87.9 Ų | 87.9 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 177 | -73 | -18.1 | 0 | 0 | 0 | 112.1 | N287 T288 L294 E295 | N287-N291 PolarHBondContact O-N 3.49Å; T288-N291 PolarHBondContact O-N 3.29Å; N291-L294 PolarHBondContact O-N 2.97Å; N291-E295 WeakPolarHBondContact O-CB 3.38Å; N291-E295 PolarHBondContact O-N 2.88Å |
| 292 | Q | 92.1 | Very high | 90.9 | Very high | 141 Ų | 141 | 86.5 Ų | 86.5 | 66% | 0.659 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65 | -41 | 174.7 | -74.5 | 176.1 | -5.5 | 0 | 0 | 112.3 | T288 T289 S290 L294 E295 K296 | T288-Q292 WeakPolarHBondContact O-CG 3.4Å; T288-Q292 PolarHBondContact O-N 2.94Å; T289-Q292 PolarHBondContact O-N 3.3Å; S290-Q292 VanDerWaalsContact C-N 3.33Å; S290-Q292 PolarHBondContact O-N 3.44Å; Q292-L294 VanDerWaalsContact C-N 3.32Å; Q292-E295 PolarHBondContact O-N 2.97Å; Q292-K296 PolarHBondContact O-N 3.41Å |
| 293 | A | 90.9 | Very high | 91.2 | Very high | 45 Ų | 45 | 84.6 Ų | 84.6 | 37% | 0.372 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M280 T289 S290 K296 L297 | M280-A293 HydrophobicContact CE-CB 4.08Å; M280-A293 HydrophobicContact SD-CB 4.14Å; T289-A293 PolarHBondContact O-N 2.86Å; S290-A293 PolarHBondContact O-N 3.16Å; A293-K296 PolarHBondContact O-N 3.01Å; A293-L297 PolarHBondContact O-N 2.99Å |
| 294 | L | 92.4 | Very high | 91.4 | Very high | 15 Ų | 15 | 81.4 Ų | 81.4 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 177.7 | -168.6 | 63.1 | 0 | 0 | 0 | 111.7 | I277 M280 E281 S290 N291 Q292 K296 L297 R298 | I277-L294 HydrophobicContact CG2-CD1 4.05Å; M280-L294 HydrophobicContact CB-CD1 4.38Å; M280-L294 HydrophobicContact CE-CB 3.57Å; M280-L294 HydrophobicContact CE-CD1 3.52Å; M280-L294 HydrophobicContact CE-CG 4.15Å; E281-L294 HydrophobicContact CG-CD1 3.88Å; E281-L294 HydrophobicContact CG-CD2 3.86Å; S290-L294 WeakPolarHBondContact O-CB 3.4Å; S290-L294 PolarHBondContact O-N 3.42Å; N291-L294 PolarHBondContact O-N 2.97Å; Q292-L294 VanDerWaalsContact C-N 3.32Å; L294-K296 VanDerWaalsContact C-N 3.28Å; L294-K296 PolarHBondContact O-N 2.99Å; L294-L297 PolarHBondContact O-N 3.37Å; L294-R298 WeakPolarHBondContact O-CG 3.47Å; L294-R298 PolarHBondContact O-N 3.36Å |
| 295 | E | 92.9 | Very high | 92 | Very high | 97 Ų | 97 | 84.6 Ų | 84.6 | 45% | 0.453 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 177.9 | -162.9 | 60.7 | -163.2 | 0 | 0 | 111.4 | N291 Q292 L297 R298 M299 | N291-E295 WeakPolarHBondContact O-CB 3.38Å; N291-E295 PolarHBondContact O-N 2.88Å; Q292-E295 PolarHBondContact O-N 2.97Å; E295-L297 PolarHBondContact O-N 2.89Å; E295-R298 PolarHBondContact O-N 2.89Å; E295-R298 IonicContact OE2-NH1 2.73Å; E295-M299 WeakPolarHBondContact O-CG 3.5Å; E295-M299 PolarHBondContact O-N 2.91Å |
| 296 | K | 94.2 | Very high | 92.6 | Very high | 126 Ų | 126 | 86.2 Ų | 86.2 | 55% | 0.548 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 173.7 | -170.3 | -179.8 | 176.6 | -173.7 | 0 | 112.3 | Q292 A293 L294 R298 M299 E300 | Q292-K296 PolarHBondContact O-N 3.41Å; A293-K296 PolarHBondContact O-N 3.01Å; L294-K296 VanDerWaalsContact C-N 3.28Å; L294-K296 PolarHBondContact O-N 2.99Å; K296-R298 VanDerWaalsContact C-N 3.33Å; K296-R298 PolarHBondContact O-N 3.35Å; K296-M299 HydrophobicContact CB-CE 4.47Å; K296-M299 PolarHBondContact O-N 3.32Å; K296-E300 VanDerWaalsContact CE-OE1 3.29Å; K296-E300 WeakPolarHBondContact CE-OE1 3.26Å; K296-E300 WeakPolarHBondContact O-CG 3.49Å; K296-E300 PolarHBondContact O-N 2.83Å |
| 297 | L | 93.9 | Very high | 93.1 | Very high | 29 Ų | 29 | 80 Ų | 80 | 15% | 0.152 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 176 | -74.4 | 177.9 | 0 | 0 | 0 | 112.3 | K273 N276 I277 M280 A293 L294 E295 E300 R301 | K273-L297 HydrophobicContact CD-CD2 3.89Å; N276-L297 HydrophobicContact CB-CD1 4.27Å; I277-L297 HydrophobicContact CD1-CB 4.26Å; I277-L297 HydrophobicContact CG1-CB 3.76Å; I277-L297 HydrophobicContact CG1-CD1 4.35Å; M280-L297 HydrophobicContact CE-CD1 3.55Å; M280-L297 HydrophobicContact CE-CG 4.41Å; M280-L297 HydrophobicContact SD-CD1 4.33Å; A293-L297 PolarHBondContact O-N 2.99Å; L294-L297 PolarHBondContact O-N 3.37Å; E295-L297 PolarHBondContact O-N 2.89Å; L297-E300 PolarHBondContact O-N 3.14Å; L297-R301 WeakPolarHBondContact O-CB 3.3Å; L297-R301 PolarHBondContact O-N 2.94Å |
| 298 | R | 94.7 | Very high | 93.5 | Very high | 88 Ų | 88 | 79.3 Ų | 79.3 | 33% | 0.332 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.7 | -72.7 | 173.2 | 177.9 | 169.9 | -2.8 | 111.7 | I277 E281 L294 E295 K296 E300 R301 D302 | I277-R298 HydrophobicContact CD1-CG 4.14Å; E281-R298 IonicContact OE1-CZ 2.74Å; E281-R298 IonicContact OE1-NE 3.36Å; E281-R298 IonicContact OE1-NH2 3.51Å; E281-R298 PolarHBondContact OE1-NH2 3.46Å; L294-R298 WeakPolarHBondContact O-CG 3.47Å; L294-R298 PolarHBondContact O-N 3.36Å; E295-R298 PolarHBondContact O-N 2.89Å; E295-R298 IonicContact OE2-NH1 2.73Å; K296-R298 VanDerWaalsContact C-N 3.33Å; K296-R298 PolarHBondContact O-N 3.35Å; R298-E300 VanDerWaalsContact C-N 3.35Å; R298-E300 PolarHBondContact O-N 3.46Å; R298-R301 PolarHBondContact O-N 2.95Å; R298-D302 VanDerWaalsContact O-CG 3.23Å; R298-D302 PolarHBondContact O-N 3.13Å |
| 299 | M | 94.8 | Very high | 93.9 | Very high | 112 Ų | 112 | 81 Ų | 81 | 55% | 0.552 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 174.6 | -71.5 | -170.9 | -64.3 | 0 | 0 | 112.1 | E295 K296 D302 Q303 | E295-M299 WeakPolarHBondContact O-CG 3.5Å; E295-M299 PolarHBondContact O-N 2.91Å; K296-M299 HydrophobicContact CB-CE 4.47Å; K296-M299 PolarHBondContact O-N 3.32Å; M299-D302 PolarHBondContact O-N 3.27Å; M299-Q303 WeakPolarHBondContact O-CB 3.49Å; M299-Q303 PolarHBondContact O-N 3.08Å |
| 300 | E | 95.3 | Very high | 94.1 | Very high | 57 Ų | 57 | 81.5 Ų | 81.5 | 27% | 0.266 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 176.2 | -73.1 | 173.8 | -170.3 | 0 | 0 | 111.9 | K273 K296 L297 R298 Q303 L304 | K273-E300 WeakPolarHBondContact CE-OE2 3.4Å; K273-E300 IonicContact NZ-OE2 3.69Å; K273-E300 PolarHBondContact NZ-OE2 3.44Å; K296-E300 VanDerWaalsContact CE-OE1 3.29Å; K296-E300 WeakPolarHBondContact CE-OE1 3.26Å; K296-E300 WeakPolarHBondContact O-CG 3.49Å; K296-E300 PolarHBondContact O-N 2.83Å; L297-E300 PolarHBondContact O-N 3.14Å; R298-E300 VanDerWaalsContact C-N 3.35Å; R298-E300 PolarHBondContact O-N 3.46Å; E300-Q303 PolarHBondContact O-N 3.28Å; E300-L304 WeakPolarHBondContact O-CG 3.29Å; E300-L304 PolarHBondContact O-N 3.39Å |
| 301 | R | 96.8 | Very high | 94.5 | Very high | 67 Ų | 67 | 82.8 Ų | 82.8 | 25% | 0.253 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 174.8 | -174.6 | -74.6 | -54.4 | -112.3 | 2 | 110.9 | L270 K273 E274 I277 L297 R298 Q303 L304 Q305 | L270-R301 HydrophobicContact CD2-CG 3.97Å; L270-R301 WeakPolarHBondContact CD2-O 3.31Å; K273-R301 HydrophobicContact CB-CB 4.41Å; E274-R301 HydrophobicContact CG-CG 4.3Å; I277-R301 HydrophobicContact CD1-CB 4.08Å; I277-R301 HydrophobicContact CD1-CG 4.36Å; L297-R301 WeakPolarHBondContact O-CB 3.3Å; L297-R301 PolarHBondContact O-N 2.94Å; R298-R301 PolarHBondContact O-N 2.95Å; R301-Q303 VanDerWaalsContact C-N 3.27Å; R301-Q303 PolarHBondContact O-N 3.45Å; R301-L304 PolarHBondContact O-N 3.25Å; R301-Q305 WeakPolarHBondContact O-CB 3.46Å; R301-Q305 PolarHBondContact O-N 3.46Å |
| 302 | D | 96.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 81.2 Ų | 81.2 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 179.7 | -67.6 | -8.6 | 0 | 0 | 0 | 111.3 | R298 M299 Q305 Q306 | R298-D302 VanDerWaalsContact O-CG 3.23Å; R298-D302 PolarHBondContact O-N 3.13Å; M299-D302 PolarHBondContact O-N 3.27Å; D302-Q305 PolarHBondContact O-N 3.49Å; D302-Q306 WeakPolarHBondContact O-CB 3.41Å; D302-Q306 PolarHBondContact O-N 3.48Å |
| 303 | Q | 96 | Very high | 94.9 | Very high | 112 Ų | 112 | 78.8 Ų | 78.8 | 52% | 0.523 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 174.9 | -172.4 | 178.3 | 14.7 | 0 | 0 | 112.2 | M299 E300 R301 Q305 Q306 Q307 | M299-Q303 WeakPolarHBondContact O-CB 3.49Å; M299-Q303 PolarHBondContact O-N 3.08Å; E300-Q303 PolarHBondContact O-N 3.28Å; R301-Q303 VanDerWaalsContact C-N 3.27Å; R301-Q303 PolarHBondContact O-N 3.45Å; Q303-Q305 VanDerWaalsContact C-N 3.3Å; Q303-Q305 PolarHBondContact O-N 2.92Å; Q303-Q306 PolarHBondContact O-N 3.5Å; Q303-Q307 WeakPolarHBondContact O-CG 3.48Å; Q303-Q307 PolarHBondContact O-N 2.67Å |
| 304 | L | 96.5 | Very high | 95 | Very high | 31 Ų | 31 | 79.3 Ų | 79.3 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 175.6 | -71.5 | 172 | 0 | 0 | 0 | 111.4 | L266 L270 K273 E300 R301 Q306 Q307 Q308 | L266-L304 HydrophobicContact CD2-CD2 3.62Å; L270-L304 HydrophobicContact CD2-CB 3.6Å; L270-L304 HydrophobicContact CG-CB 3.92Å; K273-L304 HydrophobicContact CG-CD1 3.94Å; E300-L304 WeakPolarHBondContact O-CG 3.29Å; E300-L304 PolarHBondContact O-N 3.39Å; R301-L304 PolarHBondContact O-N 3.25Å; L304-Q306 VanDerWaalsContact C-N 3.35Å; L304-Q306 PolarHBondContact O-N 3Å; L304-Q307 PolarHBondContact O-N 3.37Å; L304-Q308 WeakPolarHBondContact O-CB 3.32Å; L304-Q308 PolarHBondContact O-N 2.87Å |
| 305 | Q | 95.7 | Very high | 95.1 | Very high | 94 Ų | 94 | 82.3 Ų | 82.3 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 178.2 | -168.1 | 174.3 | 5.1 | 0 | 0 | 111.4 | L270 R301 D302 Q303 Q308 K309 | L270-Q305 HydrophobicContact CD2-CB 4.15Å; R301-Q305 WeakPolarHBondContact O-CB 3.46Å; R301-Q305 PolarHBondContact O-N 3.46Å; D302-Q305 PolarHBondContact O-N 3.49Å; Q303-Q305 VanDerWaalsContact C-N 3.3Å; Q303-Q305 PolarHBondContact O-N 2.92Å; Q305-Q308 PolarHBondContact O-N 3.27Å; Q305-K309 PolarHBondContact O-N 2.95Å |
| 306 | Q | 96 | Very high | 95 | Very high | 122 Ų | 122 | 80.3 Ų | 80.3 | 57% | 0.57 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 173.3 | -171.1 | 179 | 11.5 | 0 | 0 | 111.8 | D302 Q303 L304 K309 Q310 | D302-Q306 WeakPolarHBondContact O-CB 3.41Å; D302-Q306 PolarHBondContact O-N 3.48Å; Q303-Q306 PolarHBondContact O-N 3.5Å; L304-Q306 VanDerWaalsContact C-N 3.35Å; L304-Q306 PolarHBondContact O-N 3Å; Q306-K309 PolarHBondContact O-N 3.4Å; Q306-Q310 WeakPolarHBondContact O-CG 3.32Å; Q306-Q310 PolarHBondContact O-N 3.08Å |
| 307 | Q | 95.1 | Very high | 94.9 | Very high | 80 Ų | 80 | 79.7 Ų | 79.7 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.6 | -73.2 | 179.6 | -10.9 | 0 | 0 | 112.2 | L266 Q303 L304 K309 Q310 L311 | L266-Q307 HydrophobicContact CD1-CB 4.14Å; Q303-Q307 WeakPolarHBondContact O-CG 3.48Å; Q303-Q307 PolarHBondContact O-N 2.67Å; L304-Q307 PolarHBondContact O-N 3.37Å; Q307-K309 PolarHBondContact O-N 3.42Å; Q307-Q310 PolarHBondContact O-N 3.29Å; Q307-L311 PolarHBondContact O-N 2.73Å |
| 308 | Q | 96.7 | Very high | 94.7 | Very high | 54 Ų | 54 | 81.8 Ų | 81.8 | 25% | 0.252 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 177.4 | -169.8 | -167.2 | 45.4 | 0 | 0 | 111 | L263 L266 T267 L270 L304 Q305 Q310 L311 S312 | L263-Q308 HydrophobicContact CD2-CG 4.02Å; L266-Q308 HydrophobicContact CB-CB 4.41Å; L266-Q308 HydrophobicContact CB-CG 4.47Å; L266-Q308 HydrophobicContact CD1-CB 4.18Å; T267-Q308 PolarHBondContact OG1-NE2 2.86Å; L270-Q308 HydrophobicContact CD1-CB 4.23Å; L270-Q308 HydrophobicContact CD1-CG 4.46Å; L304-Q308 WeakPolarHBondContact O-CB 3.32Å; L304-Q308 PolarHBondContact O-N 2.87Å; Q305-Q308 PolarHBondContact O-N 3.27Å; Q308-Q310 VanDerWaalsContact C-N 3.35Å; Q308-Q310 PolarHBondContact O-N 2.92Å; Q308-L311 PolarHBondContact O-N 3.21Å; Q308-S312 VanDerWaalsContact O-CB 3.31Å; Q308-S312 WeakPolarHBondContact O-CB 3.27Å; Q308-S312 PolarHBondContact O-N 3.06Å |
| 309 | K | 94.9 | Very high | 94.3 | Very high | 144 Ų | 144 | 81.4 Ų | 81.4 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.5 | -42 | 176 | -172.8 | 177.2 | -179.7 | 178.6 | 0 | 112.1 | Q305 Q306 Q307 S312 N313 | Q305-K309 PolarHBondContact O-N 2.95Å; Q306-K309 PolarHBondContact O-N 3.4Å; Q307-K309 PolarHBondContact O-N 3.42Å; K309-S312 PolarHBondContact O-N 3.43Å; K309-N313 VanDerWaalsContact O-CG 3.31Å; K309-N313 PolarHBondContact O-N 2.91Å |
| 310 | Q | 94.8 | Very high | 94 | Very high | 109 Ų | 109 | 82.6 Ų | 82.6 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 176.7 | -74.5 | 175.9 | -9 | 0 | 0 | 112 | Q306 Q307 Q308 N313 T314 | Q306-Q310 WeakPolarHBondContact O-CG 3.32Å; Q306-Q310 PolarHBondContact O-N 3.08Å; Q307-Q310 PolarHBondContact O-N 3.29Å; Q308-Q310 VanDerWaalsContact C-N 3.35Å; Q308-Q310 PolarHBondContact O-N 2.92Å; Q310-N313 PolarHBondContact O-N 3.21Å; Q310-T314 PolarHBondContact O-N 3.34Å; Q310-T314 PolarHBondContact O-OG1 3.15Å; Q310-T314 VanDerWaalsContact O-OG1 3.11Å |
| 311 | L | 94.7 | Very high | 93.6 | Very high | 43 Ų | 43 | 84.1 Ų | 84.1 | 23% | 0.225 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 178.4 | -74.5 | 175.1 | 0 | 0 | 0 | 112.6 | L259 K262 L263 L266 Q307 Q308 N313 T314 R315 | L259-L311 HydrophobicContact CD2-CD2 3.86Å; K262-L311 HydrophobicContact CB-CD1 4.03Å; L263-L311 HydrophobicContact CD2-CB 3.84Å; L263-L311 HydrophobicContact CG-CB 4.34Å; L266-L311 HydrophobicContact CD1-CD1 3.57Å; Q307-L311 PolarHBondContact O-N 2.73Å; Q308-L311 PolarHBondContact O-N 3.21Å; L311-N313 VanDerWaalsContact C-N 3.34Å; L311-T314 PolarHBondContact O-N 3.32Å; L311-R315 PolarHBondContact O-N 2.9Å |
| 312 | S | 94.8 | Very high | 93.1 | Very high | 61 Ų | 61 | 83.6 Ų | 83.6 | 43% | 0.427 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | Q308 K309 R315 A316 | Q308-S312 VanDerWaalsContact O-CB 3.31Å; Q308-S312 WeakPolarHBondContact O-CB 3.27Å; Q308-S312 PolarHBondContact O-N 3.06Å; K309-S312 PolarHBondContact O-N 3.43Å; S312-R315 PolarHBondContact O-N 3.36Å; S312-A316 PolarHBondContact O-N 3.18Å |
| 313 | N | 94.8 | Very high | 92.6 | Very high | 90 Ų | 90 | 86.2 Ų | 86.2 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 174.4 | -72.2 | -7.4 | 0 | 0 | 0 | 112.3 | K309 Q310 L311 R315 A316 M317 | K309-N313 VanDerWaalsContact O-CG 3.31Å; K309-N313 PolarHBondContact O-N 2.91Å; Q310-N313 PolarHBondContact O-N 3.21Å; L311-N313 VanDerWaalsContact C-N 3.34Å; N313-R315 VanDerWaalsContact C-N 3.31Å; N313-R315 PolarHBondContact O-N 2.96Å; N313-A316 PolarHBondContact O-N 3.49Å; N313-M317 WeakPolarHBondContact O-CG 3.03Å; N313-M317 PolarHBondContact O-N 3.41Å |
| 314 | T | 93.6 | Very high | 92 | Very high | 56 Ų | 56 | 85.4 Ų | 85.4 | 34% | 0.344 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | Q310 L311 M317 L318 | Q310-T314 PolarHBondContact O-N 3.34Å; Q310-T314 PolarHBondContact O-OG1 3.15Å; Q310-T314 VanDerWaalsContact O-OG1 3.11Å; L311-T314 PolarHBondContact O-N 3.32Å; T314-M317 PolarHBondContact O-N 3.39Å; T314-L318 HydrophobicContact CG2-CD1 4.34Å; T314-L318 WeakPolarHBondContact O-CG 3.5Å; T314-L318 PolarHBondContact O-N 2.94Å |
| 315 | R | 94.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 91.4 Ų | 91.4 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 175.7 | -171.4 | -178.5 | -178.4 | -157.3 | 2 | 111.8 | D256 L259 T260 L311 S312 N313 M317 L318 L319 | D256-R315 IonicContact OD1-CZ 2.88Å; D256-R315 IonicContact OD1-NE 3.64Å; D256-R315 PolarHBondContact OD1-NE 3.07Å; D256-R315 IonicContact OD1-NH2 3.68Å; D256-R315 PolarHBondContact OD1-NH2 3.11Å; D256-R315 IonicContact OD2-NH2 3.15Å; D256-R315 PolarHBondContact OD2-NH2 2.86Å; L259-R315 HydrophobicContact CB-CG 4.45Å; L259-R315 HydrophobicContact CD1-CB 4.07Å; L259-R315 HydrophobicContact CD1-CG 4.3Å; T260-R315 PolarHBondContact OG1-NH2 3.45Å; L311-R315 PolarHBondContact O-N 2.9Å; S312-R315 PolarHBondContact O-N 3.36Å; N313-R315 VanDerWaalsContact C-N 3.31Å; N313-R315 PolarHBondContact O-N 2.96Å; R315-M317 VanDerWaalsContact C-N 3.34Å; R315-M317 PolarHBondContact O-N 3.1Å; R315-L318 PolarHBondContact O-N 3.49Å; R315-L319 HydrophobicContact CG-CD1 4.25Å; R315-L319 WeakPolarHBondContact O-CG 3.38Å; R315-L319 PolarHBondContact O-N 3.24Å |
| 316 | A | 92 | Very high | 89.4 | Confident | 55 Ų | 55 | 96.2 Ų | 96.2 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S312 N313 L319 E320 | S312-A316 PolarHBondContact O-N 3.18Å; N313-A316 PolarHBondContact O-N 3.49Å; A316-L319 PolarHBondContact O-N 3.04Å; A316-E320 PolarHBondContact O-N 3.44Å |
| 317 | M | 91.3 | Very high | 89.1 | Confident | 114 Ų | 114 | 94.9 Ų | 94.9 | 56% | 0.562 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 176.5 | -69.9 | -172.3 | -61.2 | 0 | 0 | 112.8 | N313 T314 R315 L319 E320 E321 | N313-M317 WeakPolarHBondContact O-CG 3.03Å; N313-M317 PolarHBondContact O-N 3.41Å; T314-M317 PolarHBondContact O-N 3.39Å; R315-M317 VanDerWaalsContact C-N 3.34Å; R315-M317 PolarHBondContact O-N 3.1Å; M317-L319 VanDerWaalsContact C-N 3.35Å; M317-E320 PolarHBondContact O-N 3.33Å; M317-E321 WeakPolarHBondContact O-CB 3.36Å; M317-E321 PolarHBondContact O-N 3.05Å |
| 318 | L | 89.1 | Confident | 88.8 | Confident | 72 Ų | 72 | 95.7 Ų | 95.7 | 38% | 0.377 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.9 | -36.4 | 177.7 | -74.8 | 172.9 | 0 | 0 | 0 | 112.5 | L259 T314 R315 E321 K322 | L259-L318 HydrophobicContact CD1-CD1 3.54Å; T314-L318 HydrophobicContact CG2-CD1 4.34Å; T314-L318 WeakPolarHBondContact O-CG 3.5Å; T314-L318 PolarHBondContact O-N 2.94Å; R315-L318 PolarHBondContact O-N 3.49Å; L318-E321 PolarHBondContact O-N 3.43Å; L318-K322 WeakPolarHBondContact O-CB 3.04Å; L318-K322 PolarHBondContact O-N 2.94Å |
| 319 | L | 87.9 | Confident | 88.3 | Confident | 80 Ų | 80 | 98 Ų | 98 | 42% | 0.419 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 173.2 | -74.8 | 168.2 | 0 | 0 | 0 | 111.2 | R315 A316 M317 K322 M323 | R315-L319 HydrophobicContact CG-CD1 4.25Å; R315-L319 WeakPolarHBondContact O-CG 3.38Å; R315-L319 PolarHBondContact O-N 3.24Å; A316-L319 PolarHBondContact O-N 3.04Å; M317-L319 VanDerWaalsContact C-N 3.35Å; L319-K322 PolarHBondContact O-N 3.48Å; L319-M323 WeakPolarHBondContact O-CG 3.39Å; L319-M323 PolarHBondContact O-N 3.27Å |
| 320 | E | 88.4 | Confident | 87.9 | Confident | 138 Ų | 138 | 95.3 Ų | 95.3 | 65% | 0.645 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 176.3 | -169.9 | 171.1 | -163 | 0 | 0 | 112.1 | A316 M317 M323 S324 | A316-E320 PolarHBondContact O-N 3.44Å; M317-E320 PolarHBondContact O-N 3.33Å; E320-M323 PolarHBondContact O-N 2.66Å; E320-S324 WeakPolarHBondContact O-CB 3.38Å; E320-S324 PolarHBondContact O-N 2.91Å; E320-S324 PolarHBondContact O-OG 3.43Å |
| 321 | E | 86.5 | Confident | 87.5 | Confident | 89 Ų | 89 | 94.4 Ų | 94.4 | 42% | 0.416 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.3 | -169.6 | 177.6 | -178.2 | 0 | 0 | 111.7 | M317 L318 S324 R325 | M317-E321 WeakPolarHBondContact O-CB 3.36Å; M317-E321 PolarHBondContact O-N 3.05Å; L318-E321 PolarHBondContact O-N 3.43Å; E321-S324 PolarHBondContact O-N 2.73Å; E321-R325 WeakPolarHBondContact O-CG 3.2Å; E321-R325 PolarHBondContact O-N 3.33Å; E321-R325 IonicContact OE1-CZ 2.84Å; E321-R325 IonicContact OE1-NE 3.49Å; E321-R325 IonicContact OE1-NH2 3.25Å; E321-R325 PolarHBondContact OE1-NH2 3.22Å |
| 322 | K | 86.4 | Confident | 87 | Confident | 56 Ų | 56 | 97.9 Ų | 97.9 | 24% | 0.243 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 174.7 | -176.3 | 173.3 | -174.8 | 166.7 | 0 | 111.7 | E252 D253 L318 L319 S324 R325 | E252-K322 VanDerWaalsContact OE2-CE 3.26Å; E252-K322 WeakPolarHBondContact OE2-CE 3.35Å; E252-K322 IonicContact OE2-NZ 2.67Å; D253-K322 IonicContact OD1-NZ 3.57Å; D253-K322 PolarHBondContact OD1-NZ 3.4Å; L318-K322 WeakPolarHBondContact O-CB 3.04Å; L318-K322 PolarHBondContact O-N 2.94Å; L319-K322 PolarHBondContact O-N 3.48Å; K322-S324 VanDerWaalsContact C-N 3.27Å; K322-S324 PolarHBondContact O-N 2.88Å; K322-R325 PolarHBondContact O-N 3.39Å |
| 323 | M | 84.8 | Confident | 86.5 | Confident | 133 Ų | 133 | 100.5 Ų | 100.5 | 66% | 0.655 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.9 | -29.7 | 177.3 | -68.4 | -69.2 | -66.2 | 0 | 0 | 112.4 | L319 E320 R325 | L319-M323 WeakPolarHBondContact O-CG 3.39Å; L319-M323 PolarHBondContact O-N 3.27Å; E320-M323 PolarHBondContact O-N 2.66Å; M323-R325 VanDerWaalsContact C-N 3.34Å |
| 324 | S | 83.3 | Confident | 85.8 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -77.9 | -16 | 179.4 | -58.2 | 0 | 0 | 0 | 0 | 113.9 | E320 E321 K322 | E320-S324 WeakPolarHBondContact O-CB 3.38Å; E320-S324 PolarHBondContact O-N 2.91Å; E320-S324 PolarHBondContact O-OG 3.43Å; E321-S324 PolarHBondContact O-N 2.73Å; K322-S324 VanDerWaalsContact C-N 3.27Å; K322-S324 PolarHBondContact O-N 2.88Å |
| 325 | R | 77.3 | Confident | 85.2 | Confident | 157 Ų | 157 | 105.1 Ų | 105.1 | 59% | 0.592 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -94.3 | -13.7 | 179.3 | -69.4 | 175.9 | -175.3 | -178.7 | 1 | 113.8 | E252 E321 K322 M323 | E252-R325 IonicContact OE1-NH1 3.66Å; E321-R325 WeakPolarHBondContact O-CG 3.2Å; E321-R325 PolarHBondContact O-N 3.33Å; E321-R325 IonicContact OE1-CZ 2.84Å; E321-R325 IonicContact OE1-NE 3.49Å; E321-R325 IonicContact OE1-NH2 3.25Å; E321-R325 PolarHBondContact OE1-NH2 3.22Å; K322-R325 PolarHBondContact O-N 3.39Å; M323-R325 VanDerWaalsContact C-N 3.34Å |
| 326 | Q | 61 | Low | 84.4 | Confident | 195 Ų | 195 | 107.5 Ų | 107.5 | 91% | 0.911 | 54% | 0.539 | S | S | * | . | trans | -82.3 | 0 | 177.5 | -71.2 | -175.4 | -3.6 | 0 | 0 | 111.4 |
Retrieved 326 of 326 residues in 174 ms
(Link to these results)