| 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 | 42.4 | Very low | 44.9 | Very low | 229 Ų | 229 | 120 Ų | 120 | 100% | 1.128 | 68% | 0.678 | S | S | * | * | 0 | 134.6 | 0 | -77.9 | 179.2 | 165.4 | 0 | 0 | 108.3 | I3 | M1-I3 PolarHBondContact O-N 2.76Š| |||
| 2 | P | 43.7 | Very low | 45 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | trans | -71.8 | 122.2 | -171.7 | 29.9 | -31 | 0 | 0 | 0 | 109.6 | K4 | P2-K4 PolarHBondContact O-N 3.45Š| ||
| 3 | I | 47 | Very low | 45.3 | Very low | 165 Ų | 165 | 114.8 Ų | 114.8 | 85% | 0.846 | 64% | 0.644 | S | S | * | * | trans | -72.9 | 107.7 | 179.1 | -62.5 | 161 | 0 | 0 | 0 | 106.9 | M1 | M1-I3 PolarHBondContact O-N 2.76Š| ||
| 4 | K | 47.5 | Very low | 45.2 | Very low | 145 Ų | 145 | 115.1 Ų | 115.1 | 63% | 0.63 | 64% | 0.642 | S | S | * | * | trans | -70 | 131.8 | 177 | -68.9 | -178.9 | 178.1 | -179.7 | 0 | 109.2 | P2 W8 | P2-K4 PolarHBondContact O-N 3.45Å; K4-W8 HydrophobicContact CD-CE3 4.42Å; K4-W8 HydrophobicContact CD-CZ3 4.41Å | ||
| 5 | P | 47.1 | Very low | 45.4 | Very low | 101 Ų | 101 | 119 Ų | 119 | 66% | 0.656 | 65% | 0.65 | S | S | * | * | trans | -68.7 | 141.1 | -175.2 | 25.2 | -31.8 | 0 | 0 | 0 | 111.8 | G7 W8 | P5-G7 PolarHBondContact O-N 2.77Å; P5-W8 PolarHBondContact O-N 2.98Å | ||
| 6 | V | 49.3 | Very low | 45.6 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -51.4 | -24.4 | -178.8 | 176.1 | 0 | 0 | 0 | 0 | 113.3 | W8 I9 C10 | V6-W8 VanDerWaalsContact C-N 3.28Å; V6-W8 PolarHBondContact O-N 3.41Å; V6-I9 PolarHBondContact O-N 3.19Å; V6-C10 PolarHBondContact O-N 3.01Å; V6-C10 VanDerWaalsContact O-N 3.14Å |
| 7 | G | 43.5 | Very low | 45.7 | Very low | 57 Ų | 57 | 119 Ų | 119 | 59% | 0.588 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.1 | -28.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P5 G11 | P5-G7 PolarHBondContact O-N 2.77Å; G7-G11 PolarHBondContact O-N 3.25Å |
| 8 | W | 42.4 | Very low | 45.7 | Very low | 153 Ų | 153 | 115.9 Ų | 115.9 | 58% | 0.58 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.1 | -36.4 | 178.6 | -169.8 | 65.2 | 0 | 0 | 0 | 112.2 | K4 P5 V6 G11 Q12 | K4-W8 HydrophobicContact CD-CE3 4.42Å; K4-W8 HydrophobicContact CD-CZ3 4.41Å; P5-W8 PolarHBondContact O-N 2.98Å; V6-W8 VanDerWaalsContact C-N 3.28Å; V6-W8 PolarHBondContact O-N 3.41Å; W8-G11 PolarHBondContact O-N 2.82Å; W8-Q12 PolarHBondContact O-N 3.26Å; W8-Q12 VanDerWaalsContact O-N 3.15Å |
| 9 | I | 50.3 | Low | 46 | Very low | 105 Ų | 105 | 112.6 Ų | 112.6 | 54% | 0.538 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.7 | -38.9 | 177.6 | -60.2 | 168.1 | 0 | 0 | 0 | 110.1 | V6 G11 Q12 V13 | V6-I9 PolarHBondContact O-N 3.19Å; I9-G11 VanDerWaalsContact C-N 3.35Å; I9-Q12 PolarHBondContact O-N 2.96Å; I9-V13 HydrophobicContact CG2-CG2 4.45Å; I9-V13 WeakPolarHBondContact O-CG2 3.32Å; I9-V13 PolarHBondContact O-N 2.85Å |
| 10 | C | 38.8 | Very low | 46.1 | Very low | 82 Ų | 82 | 116.6 Ų | 116.6 | 55% | 0.554 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.7 | -42.2 | 173.4 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | V6 Q12 L14 | V6-C10 PolarHBondContact O-N 3.01Å; V6-C10 VanDerWaalsContact O-N 3.14Å; C10-Q12 VanDerWaalsContact C-N 3.32Å; C10-Q12 PolarHBondContact O-N 2.73Å; C10-L14 WeakPolarHBondContact O-CB 3.32Å; C10-L14 PolarHBondContact O-N 3.04Å |
| 11 | G | 42.2 | Very low | 46.4 | Very low | 41 Ų | 41 | 115.2 Ų | 115.2 | 42% | 0.423 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.4 | -35.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G7 W8 I9 K15 | G7-G11 PolarHBondContact O-N 3.25Å; W8-G11 PolarHBondContact O-N 2.82Å; I9-G11 VanDerWaalsContact C-N 3.35Å; G11-K15 WeakPolarHBondContact O-CB 3.17Å; G11-K15 PolarHBondContact O-N 3.28Å |
| 12 | Q | 45.8 | Very low | 46.9 | Very low | 98 Ų | 98 | 110.6 Ų | 110.6 | 46% | 0.458 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -80 | -33.9 | -177 | -153.5 | 146.9 | -21.7 | 0 | 0 | 113 | W8 I9 C10 N16 | W8-Q12 PolarHBondContact O-N 3.26Å; W8-Q12 VanDerWaalsContact O-N 3.15Å; I9-Q12 PolarHBondContact O-N 2.96Å; C10-Q12 VanDerWaalsContact C-N 3.32Å; C10-Q12 PolarHBondContact O-N 2.73Å; Q12-N16 VanDerWaalsContact O-CG 3.31Å; Q12-N16 PolarHBondContact O-N 3.43Å; Q12-N16 PolarHBondContact O-ND2 3.19Å; Q12-N16 VanDerWaalsContact O-ND2 3.12Å |
| 13 | V | 48.5 | Very low | 47.1 | Very low | 75 Ų | 75 | 106.8 Ų | 106.8 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.6 | -42.9 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | I9 K15 N16 F17 | I9-V13 HydrophobicContact CG2-CG2 4.45Å; I9-V13 WeakPolarHBondContact O-CG2 3.32Å; I9-V13 PolarHBondContact O-N 2.85Å; V13-K15 VanDerWaalsContact C-N 3.3Å; V13-K15 PolarHBondContact O-N 3.07Å; V13-N16 PolarHBondContact O-N 3.13Å; V13-N16 VanDerWaalsContact O-N 3.16Å; V13-F17 HydrophobicContact CG1-CD2 3.77Å; V13-F17 HydrophobicContact CG1-CE2 3.98Å; V13-F17 WeakPolarHBondContact O-CD2 3.3Å; V13-F17 PolarHBondContact O-N 3.42Å |
| 14 | L | 44.8 | Very low | 47.3 | Very low | 118 Ų | 118 | 103.9 Ų | 103.9 | 62% | 0.618 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.9 | -39.5 | 175.8 | -162.1 | 73.1 | 0 | 0 | 0 | 111.2 | C10 N16 F17 S18 | C10-L14 WeakPolarHBondContact O-CB 3.32Å; C10-L14 PolarHBondContact O-N 3.04Å; L14-N16 VanDerWaalsContact C-N 3.29Å; L14-N16 PolarHBondContact O-N 3.06Å; L14-F17 PolarHBondContact O-N 2.98Å; L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.36Å; L14-S18 PolarHBondContact O-N 3.48Å |
| 15 | K | 47.8 | Very low | 47.3 | Very low | 174 Ų | 174 | 103 Ų | 103 | 76% | 0.757 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.2 | -30.5 | 176.3 | -162 | 172.2 | -174.3 | 178.5 | 0 | 113.4 | G11 V13 | G11-K15 WeakPolarHBondContact O-CB 3.17Å; G11-K15 PolarHBondContact O-N 3.28Å; V13-K15 VanDerWaalsContact C-N 3.3Å; V13-K15 PolarHBondContact O-N 3.07Å |
| 16 | N | 49.3 | Very low | 48 | Very low | 121 Ų | 121 | 103.9 Ų | 103.9 | 65% | 0.647 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -82.4 | -27.2 | 176.3 | -70.6 | -28.1 | 0 | 0 | 0 | 113.5 | Q12 V13 L14 | Q12-N16 VanDerWaalsContact O-CG 3.31Å; Q12-N16 PolarHBondContact O-N 3.43Å; Q12-N16 PolarHBondContact O-ND2 3.19Å; Q12-N16 VanDerWaalsContact O-ND2 3.12Å; V13-N16 PolarHBondContact O-N 3.13Å; V13-N16 VanDerWaalsContact O-N 3.16Å; L14-N16 VanDerWaalsContact C-N 3.29Å; L14-N16 PolarHBondContact O-N 3.06Å |
| 17 | F | 47.3 | Very low | 48 | Very low | 117 Ų | 117 | 101 Ų | 101 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -90.5 | -25.1 | 177.4 | -86.4 | -83.9 | 0 | 0 | 0 | 113.6 | V13 L14 G19 R20 I21 | V13-F17 HydrophobicContact CG1-CD2 3.77Å; V13-F17 HydrophobicContact CG1-CE2 3.98Å; V13-F17 WeakPolarHBondContact O-CD2 3.3Å; V13-F17 PolarHBondContact O-N 3.42Å; L14-F17 PolarHBondContact O-N 2.98Å; F17-G19 VanDerWaalsContact C-N 3.34Å; F17-G19 PolarHBondContact O-N 3.44Å; F17-R20 PolarHBondContact O-N 3.43Å; F17-R20 VanDerWaalsContact O-N 3.1Å; F17-I21 HydrophobicContact CB-CD1 4Å; F17-I21 WeakPolarHBondContact O-CB 2.98Å; F17-I21 WeakPolarHBondContact O-CG1 3.25Å; F17-I21 PolarHBondContact O-N 3.39Å |
| 18 | S | 45.4 | Very low | 48.3 | Very low | 64 Ų | 64 | 103 Ų | 103 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -53.6 | -48.4 | -178.6 | -166 | 0 | 0 | 0 | 0 | 111.7 | L14 R20 I21 E22 | L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.36Å; L14-S18 PolarHBondContact O-N 3.48Å; S18-R20 VanDerWaalsContact C-N 3.33Å; S18-R20 PolarHBondContact O-N 3.39Å; S18-I21 PolarHBondContact O-N 3.4Å; S18-E22 WeakPolarHBondContact O-CB 3.47Å; S18-E22 PolarHBondContact O-N 3.38Å |
| 19 | G | 51.7 | Low | 49.2 | Very low | 52 Ų | 52 | 100.5 Ų | 100.5 | 54% | 0.536 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.8 | -24 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | F17 G23 | F17-G19 VanDerWaalsContact C-N 3.34Å; F17-G19 PolarHBondContact O-N 3.44Å; G19-G23 PolarHBondContact O-N 2.88Å |
| 20 | R | 47.5 | Very low | 49.5 | Very low | 193 Ų | 193 | 99.4 Ų | 99.4 | 73% | 0.728 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -86.2 | -35.9 | 176.4 | -84.9 | -174.2 | 166 | -168.3 | -3.6 | 112.4 | F17 S18 E22 G23 I24 | F17-R20 PolarHBondContact O-N 3.43Å; F17-R20 VanDerWaalsContact O-N 3.1Å; S18-R20 VanDerWaalsContact C-N 3.33Å; S18-R20 PolarHBondContact O-N 3.39Å; R20-E22 VanDerWaalsContact C-N 3.32Å; R20-G23 PolarHBondContact O-N 2.81Å; R20-I24 VanDerWaalsContact O-CG1 3.31Å; R20-I24 WeakPolarHBondContact O-CG1 3.46Å; R20-I24 PolarHBondContact O-N 2.91Å |
| 21 | I | 51.7 | Low | 50.2 | Low | 88 Ų | 88 | 99.7 Ų | 99.7 | 45% | 0.451 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 172.9 | -69.6 | 166.4 | 0 | 0 | 0 | 109.5 | F17 S18 G23 I24 Q25 | F17-I21 HydrophobicContact CB-CD1 4Å; F17-I21 WeakPolarHBondContact O-CB 2.98Å; F17-I21 WeakPolarHBondContact O-CG1 3.25Å; F17-I21 PolarHBondContact O-N 3.39Å; S18-I21 PolarHBondContact O-N 3.4Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 3.33Å; I21-I24 PolarHBondContact O-N 2.79Å; I21-Q25 WeakPolarHBondContact O-CB 3.49Å; I21-Q25 PolarHBondContact O-N 3.17Å |
| 22 | E | 53.2 | Low | 51 | Low | 132 Ų | 132 | 101.5 Ų | 101.5 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.7 | -36.8 | 173.8 | -162.4 | 164.1 | -155 | 0 | 0 | 111.6 | S18 R20 K26 | S18-E22 WeakPolarHBondContact O-CB 3.47Å; S18-E22 PolarHBondContact O-N 3.38Å; R20-E22 VanDerWaalsContact C-N 3.32Å; E22-K26 WeakPolarHBondContact O-CB 3.27Å; E22-K26 PolarHBondContact O-N 3.37Å |
| 23 | G | 48.7 | Very low | 51.7 | Low | 41 Ų | 41 | 100 Ų | 100 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G19 R20 I21 A27 | G19-G23 PolarHBondContact O-N 2.88Å; R20-G23 PolarHBondContact O-N 2.81Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 3.33Å; G23-A27 WeakPolarHBondContact O-CB 3.22Å; G23-A27 PolarHBondContact O-N 2.67Å |
| 24 | I | 50.9 | Low | 52 | Low | 105 Ų | 105 | 101.8 Ų | 101.8 | 54% | 0.538 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.4 | -41.3 | 176.4 | -68.9 | 164.6 | 0 | 0 | 0 | 110.6 | R20 I21 K26 A27 I28 | R20-I24 VanDerWaalsContact O-CG1 3.31Å; R20-I24 WeakPolarHBondContact O-CG1 3.46Å; R20-I24 PolarHBondContact O-N 2.91Å; I21-I24 PolarHBondContact O-N 2.79Å; I24-K26 VanDerWaalsContact C-N 3.31Å; I24-A27 PolarHBondContact O-N 3.37Å; I24-I28 HydrophobicContact CG2-CD1 3.82Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 WeakPolarHBondContact O-CB 3.37Å; I24-I28 VanDerWaalsContact O-CG1 3.24Å; I24-I28 WeakPolarHBondContact O-CG1 3.41Å; I24-I28 PolarHBondContact O-N 3.37Å |
| 25 | Q | 47.4 | Very low | 52.3 | Low | 125 Ų | 125 | 100.8 Ų | 100.8 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.3 | -37 | 175.7 | -170.1 | 175.3 | -5.8 | 0 | 0 | 110.5 | I21 I28 M29 | I21-Q25 WeakPolarHBondContact O-CB 3.49Å; I21-Q25 PolarHBondContact O-N 3.17Å; Q25-I28 PolarHBondContact O-N 2.82Å; Q25-M29 WeakPolarHBondContact O-CB 3.44Å; Q25-M29 PolarHBondContact O-N 3.32Å |
| 26 | K | 60.6 | Low | 52.7 | Low | 121 Ų | 121 | 98.8 Ų | 98.8 | 53% | 0.526 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 169.5 | -177.3 | 170.9 | -178.8 | 176.4 | 0 | 112 | E22 I24 I28 M29 D30 | E22-K26 WeakPolarHBondContact O-CB 3.27Å; E22-K26 PolarHBondContact O-N 3.37Å; I24-K26 VanDerWaalsContact C-N 3.31Å; K26-I28 VanDerWaalsContact C-N 3.3Å; K26-I28 PolarHBondContact O-N 3.24Å; K26-M29 CarbonylContact O-C 3.6Å; K26-M29 PolarHBondContact O-N 2.83Å; K26-D30 VanDerWaalsContact O-CB 3.24Å; K26-D30 WeakPolarHBondContact O-CB 3.33Å; K26-D30 PolarHBondContact O-N 2.93Å |
| 27 | A | 49.5 | Very low | 52.9 | Low | 58 Ų | 58 | 98.4 Ų | 98.4 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G23 I24 L31 | G23-A27 WeakPolarHBondContact O-CB 3.22Å; G23-A27 PolarHBondContact O-N 2.67Å; I24-A27 PolarHBondContact O-N 3.37Å; A27-L31 WeakPolarHBondContact O-CB 3.37Å; A27-L31 PolarHBondContact O-N 2.88Å |
| 28 | I | 51.3 | Low | 53 | Low | 101 Ų | 101 | 97.4 Ų | 97.4 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.2 | -40.2 | 174.6 | -68.6 | 167 | 0 | 0 | 0 | 110.6 | I24 Q25 K26 L31 V32 | I24-I28 HydrophobicContact CG2-CD1 3.82Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 WeakPolarHBondContact O-CB 3.37Å; I24-I28 VanDerWaalsContact O-CG1 3.24Å; I24-I28 WeakPolarHBondContact O-CG1 3.41Å; I24-I28 PolarHBondContact O-N 3.37Å; Q25-I28 PolarHBondContact O-N 2.82Å; K26-I28 VanDerWaalsContact C-N 3.3Å; K26-I28 PolarHBondContact O-N 3.24Å; I28-L31 PolarHBondContact O-N 3.23Å; I28-V32 HydrophobicContact CG2-CG2 4.31Å; I28-V32 VanDerWaalsContact O-CB 3.25Å; I28-V32 WeakPolarHBondContact O-CB 3.43Å; I28-V32 WeakPolarHBondContact O-CG2 3.39Å; I28-V32 PolarHBondContact O-N 2.85Å |
| 29 | M | 59.9 | Low | 53.2 | Low | 99 Ų | 99 | 100 Ų | 100 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71 | -39.9 | 178.1 | -174.5 | 168.8 | 50.6 | 0 | 0 | 111.8 | Q25 K26 L31 V32 D33 | Q25-M29 WeakPolarHBondContact O-CB 3.44Å; Q25-M29 PolarHBondContact O-N 3.32Å; K26-M29 CarbonylContact O-C 3.6Å; K26-M29 PolarHBondContact O-N 2.83Å; M29-L31 VanDerWaalsContact C-N 3.34Å; M29-V32 CarbonylContact O-C 3.54Å; M29-V32 PolarHBondContact O-N 2.83Å; M29-D33 VanDerWaalsContact O-CB 3.29Å; M29-D33 WeakPolarHBondContact O-CB 3.43Å; M29-D33 PolarHBondContact O-N 2.96Å |
| 30 | D | 58.1 | Low | 53 | Low | 82 Ų | 82 | 100.2 Ų | 100.2 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 173.2 | -70.5 | -11.6 | 0 | 0 | 0 | 109.8 | K26 D33 E34 | K26-D30 VanDerWaalsContact O-CB 3.24Å; K26-D30 WeakPolarHBondContact O-CB 3.33Å; K26-D30 PolarHBondContact O-N 2.93Å; D30-D33 PolarHBondContact O-N 3.39Å; D30-E34 WeakPolarHBondContact O-CB 3.28Å; D30-E34 PolarHBondContact O-N 2.94Å |
| 31 | L | 53.4 | Low | 53.1 | Low | 88 Ų | 88 | 95 Ų | 95 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 174.8 | -171.7 | 70.2 | 0 | 0 | 0 | 111.8 | A27 I28 M29 F35 | A27-L31 WeakPolarHBondContact O-CB 3.37Å; A27-L31 PolarHBondContact O-N 2.88Å; I28-L31 PolarHBondContact O-N 3.23Å; M29-L31 VanDerWaalsContact C-N 3.34Å; L31-F35 HydrophobicContact CD1-CD2 4.13Å; L31-F35 HydrophobicContact CD1-CE2 3.64Å; L31-F35 HydrophobicContact CD1-CZ 4.46Å; L31-F35 HydrophobicContact CD2-CE2 4.12Å; L31-F35 HydrophobicContact CG-CD2 3.81Å; L31-F35 HydrophobicContact CG-CE2 3.61Å; L31-F35 WeakPolarHBondContact O-CB 3.29Å; L31-F35 WeakPolarHBondContact O-CD2 3.49Å; L31-F35 WeakPolarHBondContact O-CG 3.46Å; L31-F35 PolarHBondContact O-N 3.3Å |
| 32 | V | 58.2 | Low | 52.9 | Low | 79 Ų | 79 | 96.1 Ų | 96.1 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 175.8 | 165.6 | 0 | 0 | 0 | 0 | 111 | I28 M29 F35 K36 | I28-V32 HydrophobicContact CG2-CG2 4.31Å; I28-V32 VanDerWaalsContact O-CB 3.25Å; I28-V32 WeakPolarHBondContact O-CB 3.43Å; I28-V32 WeakPolarHBondContact O-CG2 3.39Å; I28-V32 PolarHBondContact O-N 2.85Å; M29-V32 CarbonylContact O-C 3.54Å; M29-V32 PolarHBondContact O-N 2.83Å; V32-F35 CarbonylContact O-C 3.59Å; V32-K36 WeakPolarHBondContact O-CA 3.33Å; V32-K36 WeakPolarHBondContact O-CB 3.46Å; V32-K36 PolarHBondContact O-N 2.77Å |
| 33 | D | 60.1 | Low | 52.4 | Low | 66 Ų | 66 | 94.2 Ų | 94.2 | 35% | 0.353 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.7 | -39.5 | 175.9 | -79.6 | -23.4 | 0 | 0 | 0 | 110.7 | M29 D30 F35 K36 D37 | M29-D33 VanDerWaalsContact O-CB 3.29Å; M29-D33 WeakPolarHBondContact O-CB 3.43Å; M29-D33 PolarHBondContact O-N 2.96Å; D30-D33 PolarHBondContact O-N 3.39Å; D33-F35 PolarHBondContact O-N 2.88Å; D33-K36 CarbonylContact O-C 3.55Å; D33-K36 PolarHBondContact O-N 3.21Å; D33-K36 VanDerWaalsContact O-N 3.14Å; D33-D37 WeakPolarHBondContact O-CB 3.37Å; D33-D37 PolarHBondContact O-N 3.18Å |
| 34 | E | 55.6 | Low | 51.9 | Low | 113 Ų | 113 | 101 Ų | 101 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 171.6 | -170.2 | 164.9 | -154.1 | 0 | 0 | 110.7 | D30 E38 | D30-E34 WeakPolarHBondContact O-CB 3.28Å; D30-E34 PolarHBondContact O-N 2.94Å; E34-E38 VanDerWaalsContact O-CB 3.22Å; E34-E38 WeakPolarHBondContact O-CB 3.19Å; E34-E38 VanDerWaalsContact O-CG 3.27Å; E34-E38 WeakPolarHBondContact O-CG 3.33Å; E34-E38 PolarHBondContact O-N 3.14Å |
| 35 | F | 51.5 | Low | 51.4 | Low | 97 Ų | 97 | 102.9 Ų | 102.9 | 43% | 0.425 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.3 | -37.3 | 171.2 | -79.3 | -56.6 | 0 | 0 | 0 | 112.7 | L31 V32 D33 D37 E38 F39 | L31-F35 HydrophobicContact CD1-CD2 4.13Å; L31-F35 HydrophobicContact CD1-CE2 3.64Å; L31-F35 HydrophobicContact CD1-CZ 4.46Å; L31-F35 HydrophobicContact CD2-CE2 4.12Å; L31-F35 HydrophobicContact CG-CD2 3.81Å; L31-F35 HydrophobicContact CG-CE2 3.61Å; L31-F35 WeakPolarHBondContact O-CB 3.29Å; L31-F35 WeakPolarHBondContact O-CD2 3.49Å; L31-F35 WeakPolarHBondContact O-CG 3.46Å; L31-F35 PolarHBondContact O-N 3.3Å; V32-F35 CarbonylContact O-C 3.59Å; D33-F35 PolarHBondContact O-N 2.88Å; F35-D37 VanDerWaalsContact C-N 3.29Å; F35-D37 PolarHBondContact O-N 2.85Å; F35-E38 PolarHBondContact O-N 3.1Å; F35-F39 HydrophobicContact CB-CD2 3.82Å; F35-F39 HydrophobicContact CB-CE2 4.05Å; F35-F39 AromaticContact CD1-CD2 3.8Å; F35-F39 HydrophobicContact CD1-CD2 3.8Å; F35-F39 AromaticContact CD1-CE2 3.45Å; F35-F39 HydrophobicContact CD1-CE2 3.45Å; F35-F39 VanDerWaalsContact CD1-CE2 3.45Å; F35-F39 HydrophobicContact CE1-CE2 4.19Å; F35-F39 HydrophobicContact CG-CD2 4.21Å; F35-F39 AromaticContact CG-CE2 3.99Å; F35-F39 HydrophobicContact CG-CE2 3.99Å; F35-F39 WeakPolarHBondContact O-CA 3.35Å; F35-F39 WeakPolarHBondContact O-CB 3.13Å; F35-F39 WeakPolarHBondContact O-CD2 3.28Å; F35-F39 PolarHBondContact O-N 3.49Å |
| 36 | K | 55.8 | Low | 51.1 | Low | 133 Ų | 133 | 101.7 Ų | 101.7 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -74.4 | -21.3 | -178.2 | -175.6 | -173.2 | 170 | -155.4 | 0 | 112.1 | V32 D33 P40 | V32-K36 WeakPolarHBondContact O-CA 3.33Å; V32-K36 WeakPolarHBondContact O-CB 3.46Å; V32-K36 PolarHBondContact O-N 2.77Å; D33-K36 CarbonylContact O-C 3.55Å; D33-K36 PolarHBondContact O-N 3.21Å; D33-K36 VanDerWaalsContact O-N 3.14Å; K36-P40 WeakPolarHBondContact O-CD 3.25Å; K36-P40 WeakPolarHBondContact O-CG 3.2Å |
| 37 | D | 53.3 | Low | 50.3 | Low | 112 Ų | 112 | 102.9 Ų | 102.9 | 60% | 0.599 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -89 | -35 | 171.7 | -71 | -25.5 | 0 | 0 | 0 | 111.2 | D33 F35 T41 | D33-D37 WeakPolarHBondContact O-CB 3.37Å; D33-D37 PolarHBondContact O-N 3.18Å; F35-D37 VanDerWaalsContact C-N 3.29Å; F35-D37 PolarHBondContact O-N 2.85Å; D37-T41 WeakPolarHBondContact O-CB 3.2Å; D37-T41 PolarHBondContact O-OG1 3.26Å |
| 38 | E | 50.2 | Low | 49.8 | Very low | 97 Ų | 97 | 104.5 Ų | 104.5 | 45% | 0.453 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -79.6 | -36.8 | 177.4 | -72.1 | -171.4 | 167.7 | 0 | 0 | 113.5 | E34 F35 T41 I42 | E34-E38 VanDerWaalsContact O-CB 3.22Å; E34-E38 WeakPolarHBondContact O-CB 3.19Å; E34-E38 VanDerWaalsContact O-CG 3.27Å; E34-E38 WeakPolarHBondContact O-CG 3.33Å; E34-E38 PolarHBondContact O-N 3.14Å; F35-E38 PolarHBondContact O-N 3.1Å; E38-T41 CarbonylContact O-C 3.3Å; E38-T41 PolarHBondContact O-N 3.48Å; E38-T41 VanDerWaalsContact O-N 3.14Å; E38-I42 HydrophobicContact CB-CD1 4.1Å; E38-I42 WeakPolarHBondContact O-CB 3.43Å; E38-I42 WeakPolarHBondContact O-CD1 3.32Å; E38-I42 WeakPolarHBondContact O-CG1 3.46Å; E38-I42 PolarHBondContact O-N 2.88Å |
| 39 | F | 49 | Very low | 49.4 | Very low | 118 Ų | 118 | 106.6 Ų | 106.6 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | -179 | -95.4 | -94.9 | 0 | 0 | 0 | 112.9 | F35 T41 I42 L43 | F35-F39 HydrophobicContact CB-CD2 3.82Å; F35-F39 HydrophobicContact CB-CE2 4.05Å; F35-F39 AromaticContact CD1-CD2 3.8Å; F35-F39 HydrophobicContact CD1-CD2 3.8Å; F35-F39 AromaticContact CD1-CE2 3.45Å; F35-F39 HydrophobicContact CD1-CE2 3.45Å; F35-F39 VanDerWaalsContact CD1-CE2 3.45Å; F35-F39 HydrophobicContact CE1-CE2 4.19Å; F35-F39 HydrophobicContact CG-CD2 4.21Å; F35-F39 AromaticContact CG-CE2 3.99Å; F35-F39 HydrophobicContact CG-CE2 3.99Å; F35-F39 WeakPolarHBondContact O-CA 3.35Å; F35-F39 WeakPolarHBondContact O-CB 3.13Å; F35-F39 WeakPolarHBondContact O-CD2 3.28Å; F35-F39 PolarHBondContact O-N 3.49Å; F39-T41 PolarHBondContact O-N 3.36Å; F39-I42 PolarHBondContact O-N 2.85Å; F39-L43 WeakPolarHBondContact O-CB 3.38Å; F39-L43 WeakPolarHBondContact O-CG 3.16Å; F39-L43 PolarHBondContact O-N 3.26Å |
| 40 | P | 48.1 | Very low | 48.5 | Very low | 57 Ų | 57 | 111.2 Ų | 111.2 | 37% | 0.37 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.3 | -23 | 174.1 | -16.4 | 30.9 | 0 | 0 | 0 | 112 | K36 R44 | K36-P40 WeakPolarHBondContact O-CD 3.25Å; K36-P40 WeakPolarHBondContact O-CG 3.2Å; P40-R44 WeakPolarHBondContact O-CA 3.43Å; P40-R44 WeakPolarHBondContact O-CB 3.45Å; P40-R44 WeakPolarHBondContact O-CG 3.27Å; P40-R44 PolarHBondContact O-N 3.25Å |
| 41 | T | 49.4 | Very low | 47.6 | Very low | 82 Ų | 82 | 115.7 Ų | 115.7 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -80.4 | -34.7 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | D37 E38 F39 R44 L45 | D37-T41 WeakPolarHBondContact O-CB 3.2Å; D37-T41 PolarHBondContact O-OG1 3.26Å; E38-T41 CarbonylContact O-C 3.3Å; E38-T41 PolarHBondContact O-N 3.48Å; E38-T41 VanDerWaalsContact O-N 3.14Å; F39-T41 PolarHBondContact O-N 3.36Å; T41-R44 CarbonylContact O-C 3.54Å; T41-L45 WeakPolarHBondContact O-CB 3.36Å; T41-L45 PolarHBondContact O-N 3.47Å |
| 42 | I | 47.5 | Very low | 47.1 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.5 | -41.2 | 172.4 | -63.9 | 161.8 | 0 | 0 | 0 | 110.1 | E38 F39 L45 S46 | E38-I42 HydrophobicContact CB-CD1 4.1Å; E38-I42 WeakPolarHBondContact O-CB 3.43Å; E38-I42 WeakPolarHBondContact O-CD1 3.32Å; E38-I42 WeakPolarHBondContact O-CG1 3.46Å; E38-I42 PolarHBondContact O-N 2.88Å; F39-I42 PolarHBondContact O-N 2.85Å; I42-L45 PolarHBondContact O-N 3.47Å; I42-S46 PolarHBondContact O-N 2.97Å |
| 43 | L | 41.9 | Very low | 46 | Very low | 93 Ų | 93 | 127 Ų | 127 | 49% | 0.487 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.6 | -34.5 | 170.5 | -83.4 | 159.3 | 0 | 0 | 0 | 112.2 | F39 S46 Q47 | F39-L43 WeakPolarHBondContact O-CB 3.38Å; F39-L43 WeakPolarHBondContact O-CG 3.16Å; F39-L43 PolarHBondContact O-N 3.26Å; L43-S46 CarbonylContact O-C 3.25Å; L43-S46 VanDerWaalsContact O-C 3.3Å; L43-S46 WeakPolarHBondContact O-CA 3.41Å; L43-S46 WeakPolarHBondContact O-CB 3.19Å; L43-S46 PolarHBondContact O-N 3.06Å; L43-Q47 WeakPolarHBondContact O-CA 3.35Å; L43-Q47 WeakPolarHBondContact O-CB 3.47Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 2.96Å |
| 44 | R | 39.2 | Very low | 44.9 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 69% | 0.694 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.2 | -24.2 | 170.4 | -85.4 | 179.6 | 157.5 | 151.4 | -3.9 | 113 | P40 T41 Q47 S48 | P40-R44 WeakPolarHBondContact O-CA 3.43Å; P40-R44 WeakPolarHBondContact O-CB 3.45Å; P40-R44 WeakPolarHBondContact O-CG 3.27Å; P40-R44 PolarHBondContact O-N 3.25Å; T41-R44 CarbonylContact O-C 3.54Å; R44-Q47 CarbonylContact O-C 3.57Å; R44-Q47 VanDerWaalsContact O-C 3.25Å; R44-Q47 PolarHBondContact O-N 3.4Å; R44-S48 WeakPolarHBondContact O-CA 3.15Å; R44-S48 WeakPolarHBondContact O-CB 3.33Å; R44-S48 PolarHBondContact O-N 2.82Å |
| 45 | L | 39.8 | Very low | 44.1 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 75% | 0.754 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.3 | -37.7 | 164.9 | -125.5 | 98.6 | 0 | 0 | 0 | 109.2 | T41 I42 | T41-L45 WeakPolarHBondContact O-CB 3.36Å; T41-L45 PolarHBondContact O-N 3.47Å; I42-L45 PolarHBondContact O-N 3.47Å |
| 46 | S | 41.2 | Very low | 43.7 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.3 | -18.3 | 172.5 | -166.8 | 0 | 0 | 0 | 0 | 114.3 | I42 L43 | I42-S46 PolarHBondContact O-N 2.97Å; L43-S46 CarbonylContact O-C 3.25Å; L43-S46 VanDerWaalsContact O-C 3.3Å; L43-S46 WeakPolarHBondContact O-CA 3.41Å; L43-S46 WeakPolarHBondContact O-CB 3.19Å; L43-S46 PolarHBondContact O-N 3.06Å |
| 47 | Q | 44 | Very low | 43.4 | Very low | 146 Ų | 146 | 135.5 Ų | 135.5 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 29.5 | -178.4 | -69.8 | -171.9 | -8.6 | 0 | 0 | 112.7 | L43 R44 N49 | L43-Q47 WeakPolarHBondContact O-CA 3.35Å; L43-Q47 WeakPolarHBondContact O-CB 3.47Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 2.96Å; R44-Q47 CarbonylContact O-C 3.57Å; R44-Q47 VanDerWaalsContact O-C 3.25Å; R44-Q47 PolarHBondContact O-N 3.4Å; Q47-N49 PolarHBondContact O-N 3.39Å |
| 48 | S | 38.1 | Very low | 43.3 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | trans | -69.8 | 98.4 | -175.4 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | R44 Q50 | R44-S48 WeakPolarHBondContact O-CA 3.15Å; R44-S48 WeakPolarHBondContact O-CB 3.33Å; R44-S48 PolarHBondContact O-N 2.82Å; S48-Q50 PolarHBondContact O-N 3.24Å | ||
| 49 | N | 42.5 | Very low | 43.6 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | trans | 36.8 | 66.9 | 162.9 | -64.5 | -47.9 | 0 | 0 | 0 | 117.3 | Q47 K51 | Q47-N49 PolarHBondContact O-N 3.39Å; N49-K51 PolarHBondContact O-N 2.81Å; N49-K51 VanDerWaalsContact O-N 3.12Å | ||
| 50 | Q | 41.1 | Very low | 44 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 92% | 0.916 | 69% | 0.689 | S | S | * | * | trans | -75.2 | 82.6 | 137.6 | -87.7 | -172 | -3.9 | 0 | 0 | 107.5 | S48 R52 | S48-Q50 PolarHBondContact O-N 3.24Å; Q50-R52 PolarHBondContact O-N 3.42Å | ||
| 51 | K | 40.3 | Very low | 44.5 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | trans | -55.2 | 125.8 | 157.9 | -122.8 | 180 | -179.2 | -177.7 | 0 | 105.9 | N49 E53 | N49-K51 PolarHBondContact O-N 2.81Å; N49-K51 VanDerWaalsContact O-N 3.12Å; K51-E53 PolarHBondContact O-N 2.81Å | ||
| 52 | R | 42.2 | Very low | 44.9 | Very low | 252 Ų | 252 | 142.3 Ų | 142.3 | 95% | 0.951 | 71% | 0.705 | S | S | * | * | trans | -69.4 | 66 | -179.4 | -155.4 | -177.8 | -160 | 172.9 | 4.1 | 109.5 | Q50 | Q50-R52 PolarHBondContact O-N 3.42Š| ||
| 53 | E | 35.3 | Very low | 45.5 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | trans | -82.7 | 145.8 | 158.9 | -79.2 | -176.8 | 179.4 | 0 | 0 | 107.8 | K51 A55 | K51-E53 PolarHBondContact O-N 2.81Å; E53-A55 PolarHBondContact O-N 3.42Å | ||
| 54 | P | 37.1 | Very low | 46.4 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | trans | -54.7 | 121.9 | 178.5 | 23.7 | -31.9 | 0 | 0 | 0 | 108.2 | Q56 | P54-Q56 PolarHBondContact O-N 2.86Š| ||
| 55 | A | 39.4 | Very low | 47.5 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -50.3 | 92.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E53 K57 | E53-A55 PolarHBondContact O-N 3.42Å; A55-K57 PolarHBondContact O-N 2.74Å | ||
| 56 | Q | 41.7 | Very low | 48.6 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | trans | -77.2 | 107.9 | 156.5 | -83.9 | -166.8 | 3.5 | 0 | 0 | 107.1 | P54 T58 | P54-Q56 PolarHBondContact O-N 2.86Å; Q56-T58 PolarHBondContact O-N 2.88Å | ||
| 57 | K | 50.8 | Low | 49.6 | Very low | 201 Ų | 201 | 133.6 Ų | 133.6 | 87% | 0.874 | 68% | 0.678 | S | S | * | * | trans | -55.9 | 73.3 | 174.6 | -62.2 | 172.1 | 178.6 | 175.8 | 0 | 111 | A55 S59 | A55-K57 PolarHBondContact O-N 2.74Å; K57-S59 PolarHBondContact O-N 3.47Å | ||
| 58 | T | 50.1 | Low | 50.3 | Low | 92 Ų | 92 | 130.8 Ų | 130.8 | 56% | 0.564 | 68% | 0.68 | S | S | * | * | trans | -82.6 | 70.6 | 169 | 49.1 | 0 | 0 | 0 | 0 | 108.9 | Q56 | Q56-T58 PolarHBondContact O-N 2.88Š| ||
| 59 | S | 57.8 | Low | 51.6 | Low | 42 Ų | 42 | 135.1 Ų | 135.1 | 29% | 0.294 | 69% | 0.687 | S | S | . | * | trans | 10.6 | 120.7 | 161 | 63.3 | 0 | 0 | 0 | 0 | 118.7 | K57 I61 R62 | K57-S59 PolarHBondContact O-N 3.47Å; S59-I61 PolarHBondContact O-N 3.47Å; S59-R62 PolarHBondContact O-N 3.48Å | ||
| 60 | K | 57 | Low | 52.7 | Low | 197 Ų | 197 | 132.2 Ų | 132.2 | 86% | 0.857 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -36.1 | -27.1 | 152.8 | -61.8 | 175.7 | 178.1 | -178.9 | 0 | 113.3 | R62 M63 A64 | K60-R62 PolarHBondContact O-N 3.49Å; K60-M63 PolarHBondContact O-N 3.1Å; K60-A64 WeakPolarHBondContact O-CB 3.22Å; K60-A64 PolarHBondContact O-N 3.02Å |
| 61 | I | 58.7 | Low | 54 | Low | 110 Ų | 110 | 128.2 Ų | 128.2 | 56% | 0.564 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -57.1 | -41.7 | 173.9 | -53.4 | 169.1 | 0 | 0 | 0 | 112.6 | S59 A64 I65 | S59-I61 PolarHBondContact O-N 3.47Å; I61-A64 PolarHBondContact O-N 3.09Å; I61-I65 HydrophobicContact CG2-CD1 3.78Å; I61-I65 HydrophobicContact CG2-CG1 4.39Å; I61-I65 WeakPolarHBondContact O-CB 3.16Å; I61-I65 WeakPolarHBondContact O-CD1 3.26Å; I61-I65 WeakPolarHBondContact O-CG1 3.04Å; I61-I65 PolarHBondContact O-N 2.97Å |
| 62 | R | 58.2 | Low | 55 | Low | 169 Ų | 169 | 125.8 Ų | 125.8 | 64% | 0.638 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.1 | -38.4 | 179.6 | -70.7 | -172.4 | -160.3 | -175.3 | 6 | 112.9 | S59 K60 I65 A66 | S59-R62 PolarHBondContact O-N 3.48Å; K60-R62 PolarHBondContact O-N 3.49Å; R62-I65 PolarHBondContact O-N 2.9Å; R62-A66 PolarHBondContact O-N 2.95Å |
| 63 | M | 60.4 | Low | 56.2 | Low | 139 Ų | 139 | 117.8 Ų | 117.8 | 69% | 0.685 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71 | -38.5 | 176.2 | -170 | 170.4 | 157.4 | 0 | 0 | 111.1 | K60 I65 A66 L67 | K60-M63 PolarHBondContact O-N 3.1Å; M63-I65 VanDerWaalsContact C-N 3.35Å; M63-A66 PolarHBondContact O-N 3.32Å; M63-L67 HydrophobicContact CG-CD1 4.29Å; M63-L67 WeakPolarHBondContact O-CB 3.46Å; M63-L67 PolarHBondContact O-N 2.97Å |
| 64 | A | 59.3 | Low | 57.8 | Low | 56 Ų | 56 | 114.7 Ų | 114.7 | 46% | 0.463 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.2 | -37.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K60 I61 L67 A68 | K60-A64 WeakPolarHBondContact O-CB 3.22Å; K60-A64 PolarHBondContact O-N 3.02Å; I61-A64 PolarHBondContact O-N 3.09Å; A64-L67 PolarHBondContact O-N 2.85Å; A64-A68 WeakPolarHBondContact O-CB 2.99Å; A64-A68 PolarHBondContact O-N 2.99Å |
| 65 | I | 63.1 | Low | 59.5 | Low | 101 Ų | 101 | 112.7 Ų | 112.7 | 52% | 0.518 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.7 | -42.5 | 173.8 | -71.8 | 162.5 | 0 | 0 | 0 | 110.8 | I61 R62 M63 A68 K69 | I61-I65 HydrophobicContact CG2-CD1 3.78Å; I61-I65 HydrophobicContact CG2-CG1 4.39Å; I61-I65 WeakPolarHBondContact O-CB 3.16Å; I61-I65 WeakPolarHBondContact O-CD1 3.26Å; I61-I65 WeakPolarHBondContact O-CG1 3.04Å; I61-I65 PolarHBondContact O-N 2.97Å; R62-I65 PolarHBondContact O-N 2.9Å; M63-I65 VanDerWaalsContact C-N 3.35Å; I65-A68 PolarHBondContact O-N 3.42Å; I65-K69 WeakPolarHBondContact O-CB 3.48Å; I65-K69 PolarHBondContact O-N 3.41Å |
| 66 | A | 62.6 | Low | 61 | Low | 58 Ų | 58 | 112.1 Ų | 112.1 | 48% | 0.479 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R62 M63 K69 I70 | R62-A66 PolarHBondContact O-N 2.95Å; M63-A66 PolarHBondContact O-N 3.32Å; A66-K69 PolarHBondContact O-N 3.47Å; A66-I70 WeakPolarHBondContact O-CG1 3.4Å; A66-I70 PolarHBondContact O-N 2.87Å |
| 67 | L | 61.2 | Low | 62.4 | Low | 95 Ų | 95 | 112.9 Ų | 112.9 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.9 | -40.2 | 175 | -87.3 | 156 | 0 | 0 | 0 | 112.8 | M63 A64 K69 I70 | M63-L67 HydrophobicContact CG-CD1 4.29Å; M63-L67 WeakPolarHBondContact O-CB 3.46Å; M63-L67 PolarHBondContact O-N 2.97Å; A64-L67 PolarHBondContact O-N 2.85Å; L67-K69 PolarHBondContact O-N 3.41Å; L67-I70 HydrophobicContact CD2-CD1 4.43Å; L67-I70 WeakPolarHBondContact O-CB 3.38Å; L67-I70 PolarHBondContact O-N 3.43Å; L67-I70 VanDerWaalsContact O-N 3.17Å |
| 68 | A | 60 | Low | 63.5 | Low | 88 Ų | 88 | 104.5 Ų | 104.5 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.1 | -25.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A64 I65 I70 | A64-A68 WeakPolarHBondContact O-CB 2.99Å; A64-A68 PolarHBondContact O-N 2.99Å; I65-A68 PolarHBondContact O-N 3.42Å; A68-I70 VanDerWaalsContact C-N 3.33Å |
| 69 | K | 65 | Low | 64.5 | Low | 182 Ų | 182 | 105.3 Ų | 105.3 | 79% | 0.791 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -78.8 | -16.4 | 175.3 | -151.9 | 174.5 | -174 | -179.1 | 0 | 112.7 | I65 A66 L67 | I65-K69 WeakPolarHBondContact O-CB 3.48Å; I65-K69 PolarHBondContact O-N 3.41Å; A66-K69 PolarHBondContact O-N 3.47Å; L67-K69 PolarHBondContact O-N 3.41Å |
| 70 | I | 65.9 | Low | 65 | Low | 84 Ų | 84 | 107.9 Ų | 107.9 | 43% | 0.431 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -77 | 124.3 | 172.5 | -63.9 | 167.1 | 0 | 0 | 0 | 108.1 | A66 L67 A68 R72 L75 | A66-I70 WeakPolarHBondContact O-CG1 3.4Å; A66-I70 PolarHBondContact O-N 2.87Å; L67-I70 HydrophobicContact CD2-CD1 4.43Å; L67-I70 WeakPolarHBondContact O-CB 3.38Å; L67-I70 PolarHBondContact O-N 3.43Å; L67-I70 VanDerWaalsContact O-N 3.17Å; A68-I70 VanDerWaalsContact C-N 3.33Å; I70-R72 PolarHBondContact O-N 3.03Å; I70-L75 HydrophobicContact CG2-CB 4.16Å; I70-L75 HydrophobicContact CG2-CD1 3.98Å |
| 71 | N | 68.6 | Low | 65.6 | Low | 112 Ų | 112 | 101.9 Ų | 101.9 | 60% | 0.599 | 54% | 0.538 | S | S | * | . | trans | -62.9 | 111.6 | -178.7 | -133.4 | -24.7 | 0 | 0 | 0 | 109.5 | T73 T74 L75 | N71-T73 PolarHBondContact O-N 3.27Å; N71-T73 VanDerWaalsContact O-N 3.1Å; N71-T74 WeakPolarHBondContact O-CB 3.48Å; N71-T74 PolarHBondContact O-N 3.24Å; N71-L75 PolarHBondContact O-N 3.36Å; N71-L75 VanDerWaalsContact O-N 3.09Å | ||
| 72 | R | 60.5 | Low | 66.1 | Low | 124 Ų | 124 | 101.6 Ų | 101.6 | 47% | 0.468 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -52.6 | -36.3 | -174.8 | -170.6 | 178.5 | -175.2 | 140.1 | 15 | 112.1 | I70 L75 I76 E176 R180 | I70-R72 PolarHBondContact O-N 3.03Å; R72-L75 PolarHBondContact O-N 3.25Å; R72-I76 HydrophobicContact CG-CD1 3.87Å; R72-I76 WeakPolarHBondContact O-CB 3.37Å; R72-I76 WeakPolarHBondContact O-CD1 3.43Å; R72-I76 WeakPolarHBondContact O-CG1 3.35Å; R72-I76 PolarHBondContact O-N 3.43Å; R72-E176 IonicContact CZ-OE1 3.71Å; R72-E176 IonicContact NH1-OE1 3.96Å; R72-E176 IonicContact NH2-OE1 2.74Å; R72-E176 PolarHBondContact NH2-OE1 2.61Å; R72-R180 VanDerWaalsContact CZ-CZ 3.48Å; R72-R180 VanDerWaalsContact NH1-NH2 3.18Å; R72-R180 VanDerWaalsContact NH2-NH2 3.17Å |
| 73 | T | 66.8 | Low | 66.6 | Low | 85 Ų | 85 | 97 Ų | 97 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 176.9 | 47.1 | 0 | 0 | 0 | 0 | 113 | N71 R77 | N71-T73 PolarHBondContact O-N 3.27Å; N71-T73 VanDerWaalsContact O-N 3.1Å; T73-R77 WeakPolarHBondContact O-CB 3.34Å; T73-R77 PolarHBondContact O-N 3.39Å |
| 74 | T | 70.7 | Confident | 66.9 | Low | 89 Ų | 89 | 100.1 Ų | 100.1 | 55% | 0.546 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.1 | -38.7 | 176.8 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | N71 R77 G78 | N71-T74 WeakPolarHBondContact O-CB 3.48Å; N71-T74 PolarHBondContact O-N 3.24Å; T74-R77 PolarHBondContact O-N 2.84Å; T74-G78 PolarHBondContact O-N 2.86Å |
| 75 | L | 71.7 | Confident | 67.1 | Low | 77 Ų | 77 | 100.4 Ų | 100.4 | 40% | 0.403 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.8 | -45 | 176.9 | -169.5 | 147.3 | 0 | 0 | 0 | 111.5 | I70 N71 R72 R77 G78 L79 | I70-L75 HydrophobicContact CG2-CB 4.16Å; I70-L75 HydrophobicContact CG2-CD1 3.98Å; N71-L75 PolarHBondContact O-N 3.36Å; N71-L75 VanDerWaalsContact O-N 3.09Å; R72-L75 PolarHBondContact O-N 3.25Å; L75-R77 VanDerWaalsContact C-N 3.32Å; L75-R77 PolarHBondContact O-N 3.43Å; L75-G78 PolarHBondContact O-N 2.87Å; L75-L79 HydrophobicContact CD2-CD1 4.26Å; L75-L79 WeakPolarHBondContact O-CB 3.23Å; L75-L79 PolarHBondContact O-N 2.93Å |
| 76 | I | 70.5 | Confident | 67 | Low | 83 Ų | 83 | 99.2 Ų | 99.2 | 43% | 0.426 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 175.1 | -68.3 | 167.3 | 0 | 0 | 0 | 110.8 | R72 L79 N80 | R72-I76 HydrophobicContact CG-CD1 3.87Å; R72-I76 WeakPolarHBondContact O-CB 3.37Å; R72-I76 WeakPolarHBondContact O-CD1 3.43Å; R72-I76 WeakPolarHBondContact O-CG1 3.35Å; R72-I76 PolarHBondContact O-N 3.43Å; I76-L79 PolarHBondContact O-N 2.83Å; I76-N80 VanDerWaalsContact O-CB 3.25Å; I76-N80 WeakPolarHBondContact O-CB 3.39Å; I76-N80 VanDerWaalsContact O-CG 3.3Å; I76-N80 PolarHBondContact O-N 3.39Å; I76-N80 PolarHBondContact O-ND2 3.47Å |
| 77 | R | 72.5 | Confident | 67.1 | Low | 186 Ų | 186 | 103.2 Ų | 103.2 | 70% | 0.702 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.1 | -39.9 | 176.9 | -171.5 | 176.4 | -64.2 | 170.8 | 0.5 | 112 | T73 T74 L75 N80 S81 | T73-R77 WeakPolarHBondContact O-CB 3.34Å; T73-R77 PolarHBondContact O-N 3.39Å; T74-R77 PolarHBondContact O-N 2.84Å; L75-R77 VanDerWaalsContact C-N 3.32Å; L75-R77 PolarHBondContact O-N 3.43Å; R77-N80 PolarHBondContact O-N 3.47Å; R77-S81 PolarHBondContact O-N 2.91Å; R77-S81 PolarHBondContact O-OG 3.19Å |
| 78 | G | 73.1 | Confident | 67.2 | Low | 26 Ų | 26 | 102.3 Ų | 102.3 | 27% | 0.268 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T74 L75 N80 S81 I82 | T74-G78 PolarHBondContact O-N 2.86Å; L75-G78 PolarHBondContact O-N 2.87Å; G78-N80 VanDerWaalsContact C-N 3.34Å; G78-N80 PolarHBondContact O-N 2.8Å; G78-S81 PolarHBondContact O-N 3.02Å; G78-S81 PolarHBondContact O-OG 3.38Å; G78-I82 WeakPolarHBondContact O-CB 3.49Å; G78-I82 WeakPolarHBondContact O-CD1 3.46Å; G78-I82 VanDerWaalsContact O-CG1 3.23Å; G78-I82 WeakPolarHBondContact O-CG1 3.43Å; G78-I82 PolarHBondContact O-N 2.9Å |
| 79 | L | 71.3 | Confident | 67.1 | Low | 109 Ų | 109 | 101.8 Ų | 101.8 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.9 | -39.1 | 174.8 | -114.3 | 72.2 | 0 | 0 | 0 | 111.8 | L75 I76 I82 S83 | L75-L79 HydrophobicContact CD2-CD1 4.26Å; L75-L79 WeakPolarHBondContact O-CB 3.23Å; L75-L79 PolarHBondContact O-N 2.93Å; I76-L79 PolarHBondContact O-N 2.83Å; L79-I82 PolarHBondContact O-N 3.17Å; L79-S83 WeakPolarHBondContact O-CB 3.43Å; L79-S83 PolarHBondContact O-N 2.83Å |
| 80 | N | 68.6 | Low | 66.8 | Low | 96 Ų | 96 | 95.7 Ų | 95.7 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.3 | -33.7 | 176.5 | -81 | -30.7 | 0 | 0 | 0 | 112.7 | I76 R77 G78 R84 | I76-N80 VanDerWaalsContact O-CB 3.25Å; I76-N80 WeakPolarHBondContact O-CB 3.39Å; I76-N80 VanDerWaalsContact O-CG 3.3Å; I76-N80 PolarHBondContact O-N 3.39Å; I76-N80 PolarHBondContact O-ND2 3.47Å; R77-N80 PolarHBondContact O-N 3.47Å; G78-N80 VanDerWaalsContact C-N 3.34Å; G78-N80 PolarHBondContact O-N 2.8Å; N80-R84 WeakPolarHBondContact O-CB 3.32Å; N80-R84 PolarHBondContact O-N 3.42Å |
| 81 | S | 68.8 | Low | 66.7 | Low | 70 Ų | 70 | 99 Ų | 99 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.4 | -39.3 | 174 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | R77 G78 R84 S85 | R77-S81 PolarHBondContact O-N 2.91Å; R77-S81 PolarHBondContact O-OG 3.19Å; G78-S81 PolarHBondContact O-N 3.02Å; G78-S81 PolarHBondContact O-OG 3.38Å; S81-R84 PolarHBondContact O-N 3.34Å; S81-S85 WeakPolarHBondContact O-CB 3.45Å; S81-S85 PolarHBondContact O-N 2.8Å; S81-S85 PolarHBondContact O-OG 3.39Å |
| 82 | I | 69.2 | Low | 66.4 | Low | 105 Ų | 105 | 99.5 Ų | 99.5 | 54% | 0.538 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 173.7 | -65.7 | 163.7 | 0 | 0 | 0 | 111.2 | G78 L79 S85 S86 | G78-I82 WeakPolarHBondContact O-CB 3.49Å; G78-I82 WeakPolarHBondContact O-CD1 3.46Å; G78-I82 VanDerWaalsContact O-CG1 3.23Å; G78-I82 WeakPolarHBondContact O-CG1 3.43Å; G78-I82 PolarHBondContact O-N 2.9Å; L79-I82 PolarHBondContact O-N 3.17Å; I82-S85 WeakPolarHBondContact CA-OG 3.29Å; I82-S85 PolarHBondContact O-N 3.35Å; I82-S85 PolarHBondContact O-OG 2.91Å; I82-S86 VanDerWaalsContact O-CB 3.22Å; I82-S86 WeakPolarHBondContact O-CB 3.24Å; I82-S86 PolarHBondContact O-N 3.49Å |
| 83 | S | 68.6 | Low | 66.4 | Low | 72 Ų | 72 | 97.4 Ų | 97.4 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.1 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | L79 K87 | L79-S83 WeakPolarHBondContact O-CB 3.43Å; L79-S83 PolarHBondContact O-N 2.83Å; S83-K87 VanDerWaalsContact O-CB 3.28Å; S83-K87 WeakPolarHBondContact O-CB 3.38Å; S83-K87 PolarHBondContact O-N 2.82Å |
| 84 | R | 66.8 | Low | 66.5 | Low | 204 Ų | 204 | 100.1 Ų | 100.1 | 77% | 0.77 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 173.4 | -86.2 | -175.9 | 175.4 | 177.2 | -1.1 | 112.6 | N80 S81 K87 S88 | N80-R84 WeakPolarHBondContact O-CB 3.32Å; N80-R84 PolarHBondContact O-N 3.42Å; S81-R84 PolarHBondContact O-N 3.34Å; R84-K87 PolarHBondContact O-N 3.29Å; R84-S88 WeakPolarHBondContact O-CB 3.4Å; R84-S88 PolarHBondContact O-N 3.33Å |
| 85 | S | 64.3 | Low | 66.5 | Low | 62 Ų | 62 | 99.2 Ų | 99.2 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 178.2 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | S81 I82 K87 S88 V89 | S81-S85 WeakPolarHBondContact O-CB 3.45Å; S81-S85 PolarHBondContact O-N 2.8Å; S81-S85 PolarHBondContact O-OG 3.39Å; I82-S85 WeakPolarHBondContact CA-OG 3.29Å; I82-S85 PolarHBondContact O-N 3.35Å; I82-S85 PolarHBondContact O-OG 2.91Å; S85-K87 PolarHBondContact O-N 3.45Å; S85-S88 WeakPolarHBondContact O-CB 3.12Å; S85-S88 PolarHBondContact O-N 3.33Å; S85-S88 VanDerWaalsContact O-N 3.16Å; S85-V89 WeakPolarHBondContact O-CG2 3.31Å; S85-V89 PolarHBondContact O-N 3.18Å |
| 86 | S | 61.3 | Low | 66.4 | Low | 76 Ų | 76 | 101.2 Ų | 101.2 | 53% | 0.531 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 173 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | I82 S88 V89 A90 | I82-S86 VanDerWaalsContact O-CB 3.22Å; I82-S86 WeakPolarHBondContact O-CB 3.24Å; I82-S86 PolarHBondContact O-N 3.49Å; S86-S88 VanDerWaalsContact C-N 3.29Å; S86-S88 PolarHBondContact O-N 3.43Å; S86-V89 PolarHBondContact O-N 2.78Å; S86-A90 VanDerWaalsContact O-CB 3.26Å; S86-A90 WeakPolarHBondContact O-CB 3.46Å; S86-A90 PolarHBondContact O-N 3.41Å |
| 87 | K | 64.7 | Low | 66.3 | Low | 142 Ų | 142 | 102.1 Ų | 102.1 | 62% | 0.617 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.9 | -30.9 | 175.5 | -165.6 | 169.8 | -174.4 | 171.1 | 0 | 112.6 | S83 R84 S85 K91 | S83-K87 VanDerWaalsContact O-CB 3.28Å; S83-K87 WeakPolarHBondContact O-CB 3.38Å; S83-K87 PolarHBondContact O-N 2.82Å; R84-K87 PolarHBondContact O-N 3.29Å; S85-K87 PolarHBondContact O-N 3.45Å; K87-K91 WeakPolarHBondContact O-CB 3.3Å; K87-K91 VanDerWaalsContact O-CG 3.32Å; K87-K91 WeakPolarHBondContact O-CG 3.33Å; K87-K91 PolarHBondContact O-N 2.95Å |
| 88 | S | 61.7 | Low | 66.2 | Low | 76 Ų | 76 | 95.4 Ų | 95.4 | 53% | 0.531 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.9 | -45.1 | 174.9 | -165.8 | 0 | 0 | 0 | 0 | 111.7 | R84 S85 S86 K91 L92 | R84-S88 WeakPolarHBondContact O-CB 3.4Å; R84-S88 PolarHBondContact O-N 3.33Å; S85-S88 WeakPolarHBondContact O-CB 3.12Å; S85-S88 PolarHBondContact O-N 3.33Å; S85-S88 VanDerWaalsContact O-N 3.16Å; S86-S88 VanDerWaalsContact C-N 3.29Å; S86-S88 PolarHBondContact O-N 3.43Å; S88-K91 WeakPolarHBondContact O-CB 3.28Å; S88-K91 PolarHBondContact O-N 2.85Å; S88-L92 PolarHBondContact O-N 3.16Å |
| 89 | V | 58.8 | Low | 66.1 | Low | 78 Ų | 78 | 97.7 Ų | 97.7 | 47% | 0.473 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | S85 S86 L92 L93 | S85-V89 WeakPolarHBondContact O-CG2 3.31Å; S85-V89 PolarHBondContact O-N 3.18Å; S86-V89 PolarHBondContact O-N 2.78Å; V89-L92 PolarHBondContact O-N 2.91Å; V89-L93 HydrophobicContact CG1-CD1 3.53Å; V89-L93 HydrophobicContact CG1-CG 4.16Å; V89-L93 WeakPolarHBondContact O-CB 3.45Å; V89-L93 WeakPolarHBondContact O-CG 3.39Å; V89-L93 PolarHBondContact O-N 2.83Å |
| 90 | A | 59.7 | Low | 66.1 | Low | 54 Ų | 54 | 99.8 Ų | 99.8 | 45% | 0.446 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | S86 L92 L93 H94 | S86-A90 VanDerWaalsContact O-CB 3.26Å; S86-A90 WeakPolarHBondContact O-CB 3.46Å; S86-A90 PolarHBondContact O-N 3.41Å; A90-L92 VanDerWaalsContact C-N 3.27Å; A90-L92 PolarHBondContact O-N 2.92Å; A90-L93 PolarHBondContact O-N 3.21Å; A90-H94 WeakPolarHBondContact O-CB 3.42Å; A90-H94 PolarHBondContact O-N 3.4Å |
| 91 | K | 62.6 | Low | 66.3 | Low | 153 Ų | 153 | 100.5 Ų | 100.5 | 67% | 0.665 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -31 | 174.4 | -84 | -177.7 | 176 | -170.6 | 0 | 113.6 | K87 S88 P95 | K87-K91 WeakPolarHBondContact O-CB 3.3Å; K87-K91 VanDerWaalsContact O-CG 3.32Å; K87-K91 WeakPolarHBondContact O-CG 3.33Å; K87-K91 PolarHBondContact O-N 2.95Å; S88-K91 WeakPolarHBondContact O-CB 3.28Å; S88-K91 PolarHBondContact O-N 2.85Å; K91-P95 WeakPolarHBondContact O-CD 3.4Å |
| 92 | L | 63.3 | Low | 66.7 | Low | 123 Ų | 123 | 102.3 Ų | 102.3 | 64% | 0.644 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -79 | -42.1 | 178 | -173.7 | 67 | 0 | 0 | 0 | 112 | S88 V89 A90 P95 | S88-L92 PolarHBondContact O-N 3.16Å; V89-L92 PolarHBondContact O-N 2.91Å; A90-L92 VanDerWaalsContact C-N 3.27Å; A90-L92 PolarHBondContact O-N 2.92Å; L92-P95 WeakPolarHBondContact O-CD 3.24Å; L92-P95 WeakPolarHBondContact O-CG 3.35Å |
| 93 | L | 59.9 | Low | 67.1 | Low | 80 Ų | 80 | 101.8 Ų | 101.8 | 42% | 0.419 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -78.2 | -31.7 | -178.8 | -70.9 | 172.3 | 0 | 0 | 0 | 112.7 | V89 A90 Q96 L97 | V89-L93 HydrophobicContact CG1-CD1 3.53Å; V89-L93 HydrophobicContact CG1-CG 4.16Å; V89-L93 WeakPolarHBondContact O-CB 3.45Å; V89-L93 WeakPolarHBondContact O-CG 3.39Å; V89-L93 PolarHBondContact O-N 2.83Å; A90-L93 PolarHBondContact O-N 3.21Å; L93-Q96 PolarHBondContact O-N 2.95Å; L93-L97 HydrophobicContact CB-CD1 4.15Å; L93-L97 WeakPolarHBondContact O-CB 3.35Å; L93-L97 PolarHBondContact O-N 2.86Å |
| 94 | H | 69.1 | Low | 67.4 | Low | 141 Ų | 141 | 103.8 Ų | 103.8 | 65% | 0.653 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56.3 | -48.3 | -178.2 | -166.4 | -80.8 | 0 | 0 | 0 | 113.9 | A90 A98 | A90-H94 WeakPolarHBondContact O-CB 3.42Å; A90-H94 PolarHBondContact O-N 3.4Å; H94-A98 WeakPolarHBondContact O-CB 3.37Å; H94-A98 PolarHBondContact O-N 3.36Å |
| 95 | P | 69.8 | Low | 67.9 | Low | 70 Ų | 70 | 102.8 Ų | 102.8 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 176.1 | 25.6 | -33.6 | 0 | 0 | 0 | 112.1 | K91 L92 A98 C99 | K91-P95 WeakPolarHBondContact O-CD 3.4Å; L92-P95 WeakPolarHBondContact O-CD 3.24Å; L92-P95 WeakPolarHBondContact O-CG 3.35Å; P95-A98 PolarHBondContact O-N 2.97Å; P95-C99 WeakPolarHBondContact O-CB 3.41Å; P95-C99 PolarHBondContact O-N 2.84Å; P95-C99 PolarHBondContact O-SG 2.98Å |
| 96 | Q | 69.6 | Low | 68.4 | Low | 119 Ų | 119 | 103.5 Ų | 103.5 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.3 | -42.2 | -179.4 | -165.9 | 172.7 | -9 | 0 | 0 | 111.8 | L93 R100 | L93-Q96 PolarHBondContact O-N 2.95Å; Q96-R100 WeakPolarHBondContact O-CB 3.24Å; Q96-R100 VanDerWaalsContact O-CG 3.24Å; Q96-R100 WeakPolarHBondContact O-CG 3.36Å; Q96-R100 PolarHBondContact O-N 3.25Å |
| 97 | L | 68.8 | Low | 69.4 | Low | 102 Ų | 102 | 104.3 Ų | 104.3 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 173.4 | -81.7 | 160.1 | 0 | 0 | 0 | 111.7 | L93 R100 L101 | L93-L97 HydrophobicContact CB-CD1 4.15Å; L93-L97 WeakPolarHBondContact O-CB 3.35Å; L93-L97 PolarHBondContact O-N 2.86Å; L97-R100 PolarHBondContact O-N 3.32Å; L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 VanDerWaalsContact O-CG 3.28Å; L97-L101 WeakPolarHBondContact O-CG 3.37Å; L97-L101 PolarHBondContact O-N 3.5Å |
| 98 | A | 70.5 | Confident | 69.7 | Low | 45 Ų | 45 | 99.9 Ų | 99.9 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H94 P95 L101 L102 | H94-A98 WeakPolarHBondContact O-CB 3.37Å; H94-A98 PolarHBondContact O-N 3.36Å; P95-A98 PolarHBondContact O-N 2.97Å; A98-L101 PolarHBondContact O-N 2.97Å; A98-L102 WeakPolarHBondContact O-CB 3.49Å; A98-L102 PolarHBondContact O-N 3.47Å |
| 99 | C | 71.5 | Confident | 70.2 | Confident | 75 Ų | 75 | 97.9 Ų | 97.9 | 51% | 0.507 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 175.6 | -70.9 | 0 | 0 | 0 | 0 | 111.8 | P95 L101 L102 E103 | P95-C99 WeakPolarHBondContact O-CB 3.41Å; P95-C99 PolarHBondContact O-N 2.84Å; P95-C99 PolarHBondContact O-SG 2.98Å; C99-L101 PolarHBondContact O-N 3.44Å; C99-L102 PolarHBondContact O-N 3.42Å; C99-E103 WeakPolarHBondContact O-CG 3.33Å; C99-E103 PolarHBondContact O-N 2.83Å |
| 100 | R | 70.3 | Confident | 71 | Confident | 152 Ų | 152 | 101.4 Ų | 101.4 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -37.9 | 178.6 | -70.3 | -59.6 | -173 | -163.2 | 0.7 | 113 | Q96 L97 L102 E103 L104 | Q96-R100 WeakPolarHBondContact O-CB 3.24Å; Q96-R100 VanDerWaalsContact O-CG 3.24Å; Q96-R100 WeakPolarHBondContact O-CG 3.36Å; Q96-R100 PolarHBondContact O-N 3.25Å; L97-R100 PolarHBondContact O-N 3.32Å; R100-L102 VanDerWaalsContact C-N 3.35Å; R100-E103 WeakPolarHBondContact CD-OE2 3.23Å; R100-E103 IonicContact CZ-OE2 3.72Å; R100-E103 IonicContact NE-OE2 3.97Å; R100-E103 IonicContact NH1-OE1 3.7Å; R100-E103 IonicContact NH1-OE2 2.74Å; R100-E103 PolarHBondContact NH1-OE2 2.96Å; R100-L104 WeakPolarHBondContact O-CB 3.46Å; R100-L104 PolarHBondContact O-N 2.93Å |
| 101 | L | 73.8 | Confident | 71.4 | Confident | 112 Ų | 112 | 103.4 Ų | 103.4 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68 | -35.6 | 174.4 | -74.9 | 170.9 | 0 | 0 | 0 | 111.8 | L97 A98 C99 L104 R105 | L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 VanDerWaalsContact O-CG 3.28Å; L97-L101 WeakPolarHBondContact O-CG 3.37Å; L97-L101 PolarHBondContact O-N 3.5Å; A98-L101 PolarHBondContact O-N 2.97Å; C99-L101 PolarHBondContact O-N 3.44Å; L101-L104 PolarHBondContact O-N 3.35Å; L101-R105 VanDerWaalsContact O-CB 3.3Å; L101-R105 WeakPolarHBondContact O-CB 3.24Å; L101-R105 PolarHBondContact O-N 2.96Å |
| 102 | L | 75.7 | Confident | 71.6 | Confident | 107 Ų | 107 | 101.1 Ų | 101.1 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.5 | -43.1 | 175.7 | -131.7 | 161.5 | 0 | 0 | 0 | 111.3 | A98 C99 R100 L104 R105 D106 | A98-L102 WeakPolarHBondContact O-CB 3.49Å; A98-L102 PolarHBondContact O-N 3.47Å; C99-L102 PolarHBondContact O-N 3.42Å; R100-L102 VanDerWaalsContact C-N 3.35Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.44Å; L102-R105 WeakPolarHBondContact O-CB 3.26Å; L102-R105 PolarHBondContact O-N 3.44Å; L102-D106 WeakPolarHBondContact O-CB 3.48Å; L102-D106 PolarHBondContact O-N 3.5Å |
| 103 | E | 78.8 | Confident | 71.7 | Confident | 94 Ų | 94 | 105 Ų | 105 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 171.9 | -74.7 | 175 | 179.6 | 0 | 0 | 111.2 | C99 R100 R105 D106 I107 | C99-E103 WeakPolarHBondContact O-CG 3.33Å; C99-E103 PolarHBondContact O-N 2.83Å; R100-E103 WeakPolarHBondContact CD-OE2 3.23Å; R100-E103 IonicContact CZ-OE2 3.72Å; R100-E103 IonicContact NE-OE2 3.97Å; R100-E103 IonicContact NH1-OE1 3.7Å; R100-E103 IonicContact NH1-OE2 2.74Å; R100-E103 PolarHBondContact NH1-OE2 2.96Å; E103-R105 VanDerWaalsContact C-N 3.31Å; E103-R105 PolarHBondContact O-N 3.42Å; E103-D106 PolarHBondContact O-N 2.85Å; E103-I107 WeakPolarHBondContact O-CB 3.44Å; E103-I107 WeakPolarHBondContact O-CD1 3.12Å; E103-I107 VanDerWaalsContact O-CG1 3.22Å; E103-I107 WeakPolarHBondContact O-CG1 3.3Å; E103-I107 PolarHBondContact O-N 3.45Å |
| 104 | L | 75.4 | Confident | 72 | Confident | 115 Ų | 115 | 108.1 Ų | 108.1 | 60% | 0.602 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.2 | -37.6 | 176.9 | -149.2 | 85.9 | 0 | 0 | 0 | 111.7 | R100 L101 L102 S108 | R100-L104 WeakPolarHBondContact O-CB 3.46Å; R100-L104 PolarHBondContact O-N 2.93Å; L101-L104 PolarHBondContact O-N 3.35Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.44Å; L104-S108 VanDerWaalsContact O-CB 3.26Å; L104-S108 WeakPolarHBondContact O-CB 3.38Å; L104-S108 PolarHBondContact O-N 3.31Å; L104-S108 PolarHBondContact O-OG 3.41Å |
| 105 | R | 75.5 | Confident | 71.5 | Confident | 183 Ų | 183 | 106.6 Ų | 106.6 | 69% | 0.691 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -39.1 | 175.2 | -163.4 | -174.2 | 98.3 | 174.7 | 6.9 | 111.7 | L101 L102 E103 S108 G109 | L101-R105 VanDerWaalsContact O-CB 3.3Å; L101-R105 WeakPolarHBondContact O-CB 3.24Å; L101-R105 PolarHBondContact O-N 2.96Å; L102-R105 WeakPolarHBondContact O-CB 3.26Å; L102-R105 PolarHBondContact O-N 3.44Å; E103-R105 VanDerWaalsContact C-N 3.31Å; E103-R105 PolarHBondContact O-N 3.42Å; R105-S108 VanDerWaalsContact CA-OG 3.3Å; R105-S108 WeakPolarHBondContact CA-OG 3.22Å; R105-S108 PolarHBondContact O-OG 2.82Å; R105-G109 PolarHBondContact O-N 2.9Å |
| 106 | D | 76.3 | Confident | 70.9 | Confident | 76 Ų | 76 | 109 Ų | 109 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.7 | -39.9 | 179.1 | -163.6 | 31.9 | 0 | 0 | 0 | 111.3 | L102 E103 G109 R110 | L102-D106 WeakPolarHBondContact O-CB 3.48Å; L102-D106 PolarHBondContact O-N 3.5Å; E103-D106 PolarHBondContact O-N 2.85Å; D106-G109 PolarHBondContact O-N 3.49Å; D106-R110 WeakPolarHBondContact O-CB 3.47Å; D106-R110 WeakPolarHBondContact O-CG 3.48Å; D106-R110 PolarHBondContact O-N 2.94Å; D106-R110 IonicContact OD1-CZ 3.97Å; D106-R110 IonicContact OD2-CZ 3.19Å; D106-R110 IonicContact OD2-NH1 3.41Å; D106-R110 PolarHBondContact OD2-NH1 2.84Å; D106-R110 IonicContact OD2-NH2 2.62Å; D106-R110 PolarHBondContact OD2-NH2 2.84Å |
| 107 | I | 81.3 | Confident | 70.4 | Confident | 93 Ų | 93 | 107.6 Ų | 107.6 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.7 | -48.1 | 173.4 | -66.3 | 164.1 | 0 | 0 | 0 | 110.7 | E103 G109 R110 L111 | E103-I107 WeakPolarHBondContact O-CB 3.44Å; E103-I107 WeakPolarHBondContact O-CD1 3.12Å; E103-I107 VanDerWaalsContact O-CG1 3.22Å; E103-I107 WeakPolarHBondContact O-CG1 3.3Å; E103-I107 PolarHBondContact O-N 3.45Å; I107-G109 VanDerWaalsContact C-N 3.34Å; I107-G109 PolarHBondContact O-N 3.22Å; I107-R110 PolarHBondContact O-N 3.47Å; I107-L111 HydrophobicContact CG2-CD1 3.87Å; I107-L111 WeakPolarHBondContact O-CB 3.46Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.37Å; I107-L111 PolarHBondContact O-N 3.4Å |
| 108 | S | 71.4 | Confident | 69.5 | Low | 50 Ų | 50 | 108.2 Ų | 108.2 | 35% | 0.35 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.1 | -37.4 | 177.3 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | L104 R105 L111 L112 | L104-S108 VanDerWaalsContact O-CB 3.26Å; L104-S108 WeakPolarHBondContact O-CB 3.38Å; L104-S108 PolarHBondContact O-N 3.31Å; L104-S108 PolarHBondContact O-OG 3.41Å; R105-S108 VanDerWaalsContact CA-OG 3.3Å; R105-S108 WeakPolarHBondContact CA-OG 3.22Å; R105-S108 PolarHBondContact O-OG 2.82Å; S108-L111 PolarHBondContact O-N 2.98Å; S108-L112 VanDerWaalsContact O-CB 3.24Å; S108-L112 WeakPolarHBondContact O-CB 3.22Å; S108-L112 WeakPolarHBondContact O-CG 3.48Å; S108-L112 PolarHBondContact O-N 2.62Å |
| 109 | G | 73.2 | Confident | 68.7 | Low | 33 Ų | 33 | 116.2 Ų | 116.2 | 34% | 0.34 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.7 | -41.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R105 D106 I107 R113 | R105-G109 PolarHBondContact O-N 2.9Å; D106-G109 PolarHBondContact O-N 3.49Å; I107-G109 VanDerWaalsContact C-N 3.34Å; I107-G109 PolarHBondContact O-N 3.22Å; G109-R113 VanDerWaalsContact O-CB 3.23Å; G109-R113 WeakPolarHBondContact O-CB 3.43Å; G109-R113 PolarHBondContact O-N 3.02Å |
| 110 | R | 75.1 | Confident | 67.6 | Low | 152 Ų | 152 | 120.3 Ų | 120.3 | 57% | 0.574 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.5 | -46.7 | 172.4 | -81.4 | -167.9 | -92.9 | -106.2 | 0.4 | 111.8 | D106 I107 R113 E114 | D106-R110 WeakPolarHBondContact O-CB 3.47Å; D106-R110 WeakPolarHBondContact O-CG 3.48Å; D106-R110 PolarHBondContact O-N 2.94Å; D106-R110 IonicContact OD1-CZ 3.97Å; D106-R110 IonicContact OD2-CZ 3.19Å; D106-R110 IonicContact OD2-NH1 3.41Å; D106-R110 PolarHBondContact OD2-NH1 2.84Å; D106-R110 IonicContact OD2-NH2 2.62Å; D106-R110 PolarHBondContact OD2-NH2 2.84Å; I107-R110 PolarHBondContact O-N 3.47Å; R110-R113 PolarHBondContact O-N 3.34Å; R110-E114 VanDerWaalsContact O-CB 3.31Å; R110-E114 WeakPolarHBondContact O-CB 3.48Å; R110-E114 PolarHBondContact O-N 2.93Å |
| 111 | L | 68.4 | Low | 66.7 | Low | 97 Ų | 97 | 119.1 Ų | 119.1 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.1 | -42.5 | 177.1 | -73.4 | 167.5 | 0 | 0 | 0 | 112.1 | I107 S108 E114 V115 | I107-L111 HydrophobicContact CG2-CD1 3.87Å; I107-L111 WeakPolarHBondContact O-CB 3.46Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.37Å; I107-L111 PolarHBondContact O-N 3.4Å; S108-L111 PolarHBondContact O-N 2.98Å; L111-E114 PolarHBondContact O-N 3.45Å; L111-V115 WeakPolarHBondContact O-CB 3.21Å; L111-V115 WeakPolarHBondContact O-CG2 3.46Å; L111-V115 PolarHBondContact O-N 2.81Å |
| 112 | L | 65.8 | Low | 65.3 | Low | 104 Ų | 104 | 121.3 Ų | 121.3 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.8 | -40.8 | 175.6 | -89.2 | 157.9 | 0 | 0 | 0 | 111.6 | S108 V115 N116 | S108-L112 VanDerWaalsContact O-CB 3.24Å; S108-L112 WeakPolarHBondContact O-CB 3.22Å; S108-L112 WeakPolarHBondContact O-CG 3.48Å; S108-L112 PolarHBondContact O-N 2.62Å; L112-V115 PolarHBondContact O-N 2.84Å; L112-N116 VanDerWaalsContact O-CB 3.24Å; L112-N116 WeakPolarHBondContact O-CB 3.26Å; L112-N116 PolarHBondContact O-N 3.18Å |
| 113 | R | 66.2 | Low | 63.6 | Low | 204 Ų | 204 | 126.3 Ų | 126.3 | 77% | 0.77 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.7 | -38.6 | 177.2 | -171 | -179.5 | -90.6 | -161.3 | -4.9 | 111.2 | G109 R110 N116 V117 | G109-R113 VanDerWaalsContact O-CB 3.23Å; G109-R113 WeakPolarHBondContact O-CB 3.43Å; G109-R113 PolarHBondContact O-N 3.02Å; R110-R113 PolarHBondContact O-N 3.34Å; R113-N116 PolarHBondContact O-N 3.23Å; R113-V117 WeakPolarHBondContact O-CG2 3.48Å; R113-V117 PolarHBondContact O-N 2.82Å; R113-V117 VanDerWaalsContact O-N 3.09Å |
| 114 | E | 64.9 | Low | 62.1 | Low | 146 Ų | 146 | 128.1 Ų | 128.1 | 68% | 0.682 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.5 | -37.8 | 175.3 | -169.3 | 170.3 | -172.5 | 0 | 0 | 112.1 | R110 L111 | R110-E114 VanDerWaalsContact O-CB 3.31Å; R110-E114 WeakPolarHBondContact O-CB 3.48Å; R110-E114 PolarHBondContact O-N 2.93Å; L111-E114 PolarHBondContact O-N 3.45Å |
| 115 | V | 60 | Low | 60.8 | Low | 110 Ų | 110 | 128.9 Ų | 128.9 | 67% | 0.667 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.9 | -31.4 | 175 | 172.1 | 0 | 0 | 0 | 0 | 112.4 | L111 L112 | L111-V115 WeakPolarHBondContact O-CB 3.21Å; L111-V115 WeakPolarHBondContact O-CG2 3.46Å; L111-V115 PolarHBondContact O-N 2.81Å; L112-V115 PolarHBondContact O-N 2.84Å |
| 116 | N | 56.9 | Low | 59.1 | Low | 119 Ų | 119 | 129.5 Ų | 129.5 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 7.6 | -178.7 | -82.4 | -17.6 | 0 | 0 | 0 | 114.8 | L112 R113 P118 | L112-N116 VanDerWaalsContact O-CB 3.24Å; L112-N116 WeakPolarHBondContact O-CB 3.26Å; L112-N116 PolarHBondContact O-N 3.18Å; R113-N116 PolarHBondContact O-N 3.23Å; N116-P118 WeakPolarHBondContact O-CD 3.35Å |
| 117 | V | 59.3 | Low | 57.9 | Low | 91 Ų | 91 | 132.8 Ų | 132.8 | 55% | 0.552 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -60.9 | 123.5 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | R113 R119 | R113-V117 WeakPolarHBondContact O-CG2 3.48Å; R113-V117 PolarHBondContact O-N 2.82Å; R113-V117 VanDerWaalsContact O-N 3.09Å; V117-R119 PolarHBondContact O-N 2.94Å |
| 118 | P | 49.8 | Very low | 56.3 | Low | 115 Ų | 115 | 139.6 Ų | 139.6 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | trans | -62.6 | 107.6 | 173.2 | -15.4 | 28.4 | 0 | 0 | 0 | 108.3 | N116 Q120 | N116-P118 WeakPolarHBondContact O-CD 3.35Å; P118-Q120 VanDerWaalsContact C-N 3.35Å; P118-Q120 PolarHBondContact O-N 3.36Å | ||
| 119 | R | 54.4 | Low | 55.1 | Low | 213 Ų | 213 | 147.4 Ų | 147.4 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -63.9 | 97.3 | 171.8 | -81.4 | -176.2 | 174.2 | 154.3 | 0.5 | 107.9 | V117 | V117-R119 PolarHBondContact O-N 2.94Š| ||
| 120 | Q | 47.4 | Very low | 53.8 | Low | 161 Ų | 161 | 148.1 Ų | 148.1 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | -58.9 | 141.4 | 162.4 | -83.6 | -176.7 | -16.6 | 0 | 0 | 108.9 | P118 L122 | P118-Q120 VanDerWaalsContact C-N 3.35Å; P118-Q120 PolarHBondContact O-N 3.36Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.19Å | ||
| 121 | P | 51 | Low | 52.6 | Low | 127 Ų | 127 | 144.4 Ų | 144.4 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -78.7 | 84.9 | -174.7 | 32.8 | -32.1 | 0 | 0 | 0 | 108.8 | Y123 | P121-Y123 PolarHBondContact O-N 3.35Å; P121-Y123 VanDerWaalsContact O-N 3.16Å | ||
| 122 | L | 44 | Very low | 51.7 | Low | 157 Ų | 157 | 146 Ų | 146 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -80.8 | 95.1 | 167.5 | -69.4 | 178.4 | 0 | 0 | 0 | 108.5 | Q120 N124 | Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.19Å; L122-N124 PolarHBondContact O-N 3.43Å | ||
| 123 | Y | 39.9 | Very low | 50.8 | Low | 213 Ų | 213 | 149.5 Ų | 149.5 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -56.5 | 130.5 | 164.6 | -142.6 | -100.4 | 0 | 0 | 0 | 109 | P121 | P121-Y123 PolarHBondContact O-N 3.35Å; P121-Y123 VanDerWaalsContact O-N 3.16Å | ||
| 124 | N | 47.6 | Very low | 50 | Low | 131 Ų | 131 | 145.8 Ų | 145.8 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 75.4 | 129.5 | 170.3 | -80.9 | -29.8 | 0 | 0 | 0 | 119.6 | L122 | L122-N124 PolarHBondContact O-N 3.43Š|
| 125 | T | 47.9 | Very low | 49.3 | Very low | 132 Ų | 132 | 144 Ų | 144 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 78.7 | 68.2 | 166.5 | 75.3 | 0 | 0 | 0 | 0 | 119.4 | ||
| 126 | Q | 40.7 | Very low | 48.9 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | -167.9 | 95.3 | 121.4 | -112.2 | 172.6 | 4.9 | 0 | 0 | 111 | |||||
| 127 | V | 50.1 | Low | 48.7 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 89% | 0.885 | 71% | 0.713 | S | S | * | * | trans | -64.5 | 137.6 | 166.6 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 128 | R | 48.7 | Very low | 48.3 | Very low | 235 Ų | 235 | 144 Ų | 144 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 101.6 | 33.9 | 157.3 | -145.7 | -178.5 | -162.4 | 160.1 | 6.2 | 120.6 | ||
| 129 | K | 45.2 | Very low | 48.5 | Very low | 214 Ų | 214 | 142.6 Ų | 142.6 | 93% | 0.93 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -139.6 | 13.6 | 162.5 | -72.9 | -169.7 | 179.9 | 175.2 | 0 | 116.1 | ||
| 130 | G | 46.5 | Very low | 48.6 | Very low | 49 Ų | 49 | 134.7 Ų | 134.7 | 51% | 0.505 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -95 | -24.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 131 | S | 50.8 | Low | 49 | Very low | 73 Ų | 73 | 134 Ų | 134 | 51% | 0.51 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -107.8 | -24.3 | -156.6 | 158.8 | 0 | 0 | 0 | 0 | 116.5 | I135 | S131-I135 VanDerWaalsContact O-CD1 3.32Å; S131-I135 WeakPolarHBondContact O-CD1 3.19Å; S131-I135 VanDerWaalsContact O-CG1 3.27Å; S131-I135 WeakPolarHBondContact O-CG1 3.45Å; S131-I135 PolarHBondContact O-N 2.91Å; S131-I135 WeakPolarHBondContact OG-CD1 3.39Å |
| 132 | L | 49 | Very low | 49.4 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 68% | 0.681 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80.3 | -27.9 | -173.6 | -65.5 | 174.9 | 0 | 0 | 0 | 113.6 | I136 | L132-I136 WeakPolarHBondContact O-CD1 3.39Å; L132-I136 VanDerWaalsContact O-CG1 3.23Å; L132-I136 WeakPolarHBondContact O-CG1 3.31Å; L132-I136 PolarHBondContact O-N 2.97Å |
| 133 | F | 47.6 | Very low | 50.1 | Low | 179 Ų | 179 | 126.5 Ų | 126.5 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.1 | -34.1 | 178.4 | -148.4 | -96 | 0 | 0 | 0 | 111.3 | S137 | F133-S137 WeakPolarHBondContact O-CA 2.96Å; F133-S137 WeakPolarHBondContact O-CB 3.44Å; F133-S137 PolarHBondContact O-N 3.27Å; F133-S137 PolarHBondContact O-OG 2.93Å |
| 134 | E | 48.1 | Very low | 50.9 | Low | 125 Ų | 125 | 121.5 Ų | 121.5 | 58% | 0.584 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.3 | -39.8 | 173.1 | -96.9 | 172.3 | 170.5 | 0 | 0 | 112.7 | S137 F138 | E134-S137 WeakPolarHBondContact CA-OG 3.44Å; E134-S137 PolarHBondContact O-OG 3.43Å; E134-F138 PolarHBondContact O-N 3.42Å |
| 135 | I | 50.4 | Low | 51.5 | Low | 108 Ų | 108 | 118.3 Ų | 118.3 | 55% | 0.554 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.8 | -35.4 | -178.1 | -63.2 | 165.9 | 0 | 0 | 0 | 111.8 | S131 P139 | S131-I135 VanDerWaalsContact O-CD1 3.32Å; S131-I135 WeakPolarHBondContact O-CD1 3.19Å; S131-I135 VanDerWaalsContact O-CG1 3.27Å; S131-I135 WeakPolarHBondContact O-CG1 3.45Å; S131-I135 PolarHBondContact O-N 2.91Å; S131-I135 WeakPolarHBondContact OG-CD1 3.39Å; I135-P139 WeakPolarHBondContact O-CD 3.31Å |
| 136 | I | 51.8 | Low | 52.4 | Low | 121 Ų | 121 | 115.2 Ų | 115.2 | 62% | 0.621 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -87.9 | -26.1 | 178.8 | -53 | 163.7 | 0 | 0 | 0 | 111.8 | L132 P139 A140 | L132-I136 WeakPolarHBondContact O-CD1 3.39Å; L132-I136 VanDerWaalsContact O-CG1 3.23Å; L132-I136 WeakPolarHBondContact O-CG1 3.31Å; L132-I136 PolarHBondContact O-N 2.97Å; I136-P139 WeakPolarHBondContact O-CD 3.35Å; I136-A140 WeakPolarHBondContact O-CB 3.3Å |
| 137 | S | 52.7 | Low | 53.6 | Low | 38 Ų | 38 | 110.6 Ų | 110.6 | 27% | 0.266 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -76.8 | -21 | 177.6 | 61 | 0 | 0 | 0 | 0 | 113 | F133 E134 A140 K141 | F133-S137 WeakPolarHBondContact O-CA 2.96Å; F133-S137 WeakPolarHBondContact O-CB 3.44Å; F133-S137 PolarHBondContact O-N 3.27Å; F133-S137 PolarHBondContact O-OG 2.93Å; E134-S137 WeakPolarHBondContact CA-OG 3.44Å; E134-S137 PolarHBondContact O-OG 3.43Å; S137-A140 PolarHBondContact O-N 2.94Å; S137-K141 WeakPolarHBondContact O-CA 3.5Å; S137-K141 WeakPolarHBondContact O-CB 3.23Å; S137-K141 PolarHBondContact O-N 3.47Å |
| 138 | F | 51.1 | Low | 54.5 | Low | 162 Ų | 162 | 108.9 Ų | 108.9 | 71% | 0.711 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.5 | -47.6 | 179.5 | -148.3 | -89.8 | 0 | 0 | 0 | 112.9 | E134 T142 | E134-F138 PolarHBondContact O-N 3.42Å; F138-T142 PolarHBondContact O-N 2.88Å; F138-T142 PolarHBondContact O-OG1 2.9Å |
| 139 | P | 54.4 | Low | 55.4 | Low | 85 Ų | 85 | 105.8 Ų | 105.8 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.4 | -38.6 | 173.4 | -16.4 | 31.6 | 0 | 0 | 0 | 112.4 | I135 I136 T142 A143 | I135-P139 WeakPolarHBondContact O-CD 3.31Å; I136-P139 WeakPolarHBondContact O-CD 3.35Å; P139-T142 PolarHBondContact O-N 3.28Å; P139-A143 WeakPolarHBondContact O-CB 3.34Å; P139-A143 PolarHBondContact O-N 2.86Å |
| 140 | A | 55.1 | Low | 56.6 | Low | 47 Ų | 47 | 98.5 Ų | 98.5 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.6 | -37.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I136 S137 A143 L144 | I136-A140 WeakPolarHBondContact O-CB 3.3Å; S137-A140 PolarHBondContact O-N 2.94Å; A140-A143 PolarHBondContact O-N 3.32Å; A140-L144 WeakPolarHBondContact O-CB 3.19Å; A140-L144 VanDerWaalsContact O-CG 3.29Å; A140-L144 WeakPolarHBondContact O-CG 3.22Å; A140-L144 PolarHBondContact O-N 3.46Å |
| 141 | K | 56.5 | Low | 57.4 | Low | 147 Ų | 147 | 99.2 Ų | 99.2 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 175.3 | -168.3 | 174.5 | -174.7 | 179.5 | 0 | 110 | S137 L144 T145 | S137-K141 WeakPolarHBondContact O-CA 3.5Å; S137-K141 WeakPolarHBondContact O-CB 3.23Å; S137-K141 PolarHBondContact O-N 3.47Å; K141-L144 PolarHBondContact O-N 2.9Å; K141-T145 PolarHBondContact O-N 2.71Å; K141-T145 PolarHBondContact O-OG1 3.03Å |
| 142 | T | 59.5 | Low | 58.3 | Low | 82 Ų | 82 | 102.7 Ų | 102.7 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 175.2 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | F138 P139 T145 S146 | F138-T142 PolarHBondContact O-N 2.88Å; F138-T142 PolarHBondContact O-OG1 2.9Å; P139-T142 PolarHBondContact O-N 3.28Å; T142-T145 VanDerWaalsContact CA-OG1 3.3Å; T142-T145 WeakPolarHBondContact CA-OG1 3.5Å; T142-T145 PolarHBondContact O-N 3.42Å; T142-T145 PolarHBondContact O-OG1 2.77Å; T142-S146 PolarHBondContact O-N 2.78Å; T142-S146 PolarHBondContact O-OG 3.41Å |
| 143 | A | 59.2 | Low | 59.6 | Low | 45 Ų | 45 | 99.3 Ų | 99.3 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P139 A140 S146 I147 | P139-A143 WeakPolarHBondContact O-CB 3.34Å; P139-A143 PolarHBondContact O-N 2.86Å; A140-A143 PolarHBondContact O-N 3.32Å; A143-S146 WeakPolarHBondContact CA-OG 3.47Å; A143-S146 PolarHBondContact O-N 3.25Å; A143-S146 PolarHBondContact O-OG 3.34Å; A143-I147 WeakPolarHBondContact O-CB 3.13Å; A143-I147 WeakPolarHBondContact O-CD1 3.38Å; A143-I147 VanDerWaalsContact O-CG1 3.22Å; A143-I147 WeakPolarHBondContact O-CG1 3.14Å; A143-I147 PolarHBondContact O-N 3.44Å |
| 144 | L | 55.1 | Low | 61.1 | Low | 107 Ų | 107 | 93.6 Ų | 93.6 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.9 | -41.7 | 174.5 | -77 | 167.7 | 0 | 0 | 0 | 111.3 | A140 K141 S146 I147 I148 | A140-L144 WeakPolarHBondContact O-CB 3.19Å; A140-L144 VanDerWaalsContact O-CG 3.29Å; A140-L144 WeakPolarHBondContact O-CG 3.22Å; A140-L144 PolarHBondContact O-N 3.46Å; K141-L144 PolarHBondContact O-N 2.9Å; L144-S146 PolarHBondContact O-N 2.86Å; L144-I147 PolarHBondContact O-N 2.83Å; L144-I148 WeakPolarHBondContact O-CB 3.32Å; L144-I148 WeakPolarHBondContact O-CD1 2.94Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.48Å |
| 145 | T | 60.9 | Low | 61.9 | Low | 64 Ų | 64 | 93.1 Ų | 93.1 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 171.3 | 24.3 | 0 | 0 | 0 | 0 | 112.1 | K141 T142 I147 I148 Y149 | K141-T145 PolarHBondContact O-N 2.71Å; K141-T145 PolarHBondContact O-OG1 3.03Å; T142-T145 VanDerWaalsContact CA-OG1 3.3Å; T142-T145 WeakPolarHBondContact CA-OG1 3.5Å; T142-T145 PolarHBondContact O-N 3.42Å; T142-T145 PolarHBondContact O-OG1 2.77Å; T145-I147 VanDerWaalsContact C-N 3.33Å; T145-I147 PolarHBondContact O-N 2.85Å; T145-I148 PolarHBondContact O-N 2.9Å; T145-Y149 WeakPolarHBondContact O-CB 3.33Å; T145-Y149 VanDerWaalsContact O-CD2 3.22Å; T145-Y149 WeakPolarHBondContact O-CD2 3.1Å; T145-Y149 PolarHBondContact O-N 3.34Å |
| 146 | S | 67.3 | Low | 63.3 | Low | 68 Ų | 68 | 92 Ų | 92 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 178.2 | 62.8 | 0 | 0 | 0 | 0 | 112 | T142 A143 L144 A150 | T142-S146 PolarHBondContact O-N 2.78Å; T142-S146 PolarHBondContact O-OG 3.41Å; A143-S146 WeakPolarHBondContact CA-OG 3.47Å; A143-S146 PolarHBondContact O-N 3.25Å; A143-S146 PolarHBondContact O-OG 3.34Å; L144-S146 PolarHBondContact O-N 2.86Å; S146-A150 VanDerWaalsContact O-CB 3.23Å; S146-A150 WeakPolarHBondContact O-CB 3.18Å; S146-A150 PolarHBondContact O-N 3.28Å |
| 147 | I | 66.6 | Low | 64.5 | Low | 98 Ų | 98 | 94.3 Ų | 94.3 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 173.2 | -68.9 | 164.5 | 0 | 0 | 0 | 110 | A143 L144 T145 Y149 A150 S151 | A143-I147 WeakPolarHBondContact O-CB 3.13Å; A143-I147 WeakPolarHBondContact O-CD1 3.38Å; A143-I147 VanDerWaalsContact O-CG1 3.22Å; A143-I147 WeakPolarHBondContact O-CG1 3.14Å; A143-I147 PolarHBondContact O-N 3.44Å; L144-I147 PolarHBondContact O-N 2.83Å; T145-I147 VanDerWaalsContact C-N 3.33Å; T145-I147 PolarHBondContact O-N 2.85Å; I147-Y149 VanDerWaalsContact C-N 3.34Å; I147-Y149 PolarHBondContact O-N 2.93Å; I147-A150 PolarHBondContact O-N 2.88Å; I147-S151 WeakPolarHBondContact O-CB 3.05Å; I147-S151 PolarHBondContact O-N 2.95Å; I147-S151 PolarHBondContact O-OG 3.22Å |
| 148 | I | 68.7 | Low | 65.4 | Low | 110 Ų | 110 | 99.4 Ų | 99.4 | 56% | 0.564 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60 | -44.6 | 177.8 | -69.4 | 164.7 | 0 | 0 | 0 | 111 | L144 T145 S151 Y152 | L144-I148 WeakPolarHBondContact O-CB 3.32Å; L144-I148 WeakPolarHBondContact O-CD1 2.94Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.48Å; T145-I148 PolarHBondContact O-N 2.9Å; I148-S151 PolarHBondContact O-N 2.94Å; I148-Y152 VanDerWaalsContact O-CB 3.26Å; I148-Y152 WeakPolarHBondContact O-CB 3.49Å; I148-Y152 PolarHBondContact O-N 2.74Å |
| 149 | Y | 67.9 | Low | 66.2 | Low | 170 Ų | 170 | 93.9 Ų | 93.9 | 67% | 0.667 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.3 | -40.7 | 177.6 | -88.1 | -70.8 | 0 | 0 | 0 | 112.4 | T145 I147 Y152 A153 | T145-Y149 WeakPolarHBondContact O-CB 3.33Å; T145-Y149 VanDerWaalsContact O-CD2 3.22Å; T145-Y149 WeakPolarHBondContact O-CD2 3.1Å; T145-Y149 PolarHBondContact O-N 3.34Å; I147-Y149 VanDerWaalsContact C-N 3.34Å; I147-Y149 PolarHBondContact O-N 2.93Å; Y149-Y152 PolarHBondContact O-N 3.36Å; Y149-A153 WeakPolarHBondContact O-CB 3.19Å; Y149-A153 PolarHBondContact O-N 3.37Å |
| 150 | A | 70.6 | Confident | 67.4 | Low | 61 Ų | 61 | 94.1 Ų | 94.1 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S146 I147 Y152 A153 A154 | S146-A150 VanDerWaalsContact O-CB 3.23Å; S146-A150 WeakPolarHBondContact O-CB 3.18Å; S146-A150 PolarHBondContact O-N 3.28Å; I147-A150 PolarHBondContact O-N 2.88Å; A150-Y152 VanDerWaalsContact C-N 3.33Å; A150-Y152 PolarHBondContact O-N 3.09Å; A150-A153 PolarHBondContact O-N 2.88Å; A150-A154 PolarHBondContact O-N 2.84Å |
| 151 | S | 61.9 | Low | 67.8 | Low | 63 Ų | 63 | 94.1 Ų | 94.1 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 173.9 | -61 | 0 | 0 | 0 | 0 | 111.7 | I147 I148 A154 L155 | I147-S151 WeakPolarHBondContact O-CB 3.05Å; I147-S151 PolarHBondContact O-N 2.95Å; I147-S151 PolarHBondContact O-OG 3.22Å; I148-S151 PolarHBondContact O-N 2.94Å; S151-A154 PolarHBondContact O-N 2.84Å; S151-L155 WeakPolarHBondContact O-CG 3.27Å; S151-L155 PolarHBondContact O-N 3.45Å |
| 152 | Y | 70.3 | Confident | 68.4 | Low | 147 Ų | 147 | 89.3 Ų | 89.3 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.7 | -42.6 | 176.8 | -168.9 | -106.9 | 0 | 0 | 0 | 111.9 | I148 Y149 A150 A154 L155 I156 | I148-Y152 VanDerWaalsContact O-CB 3.26Å; I148-Y152 WeakPolarHBondContact O-CB 3.49Å; I148-Y152 PolarHBondContact O-N 2.74Å; Y149-Y152 PolarHBondContact O-N 3.36Å; A150-Y152 VanDerWaalsContact C-N 3.33Å; A150-Y152 PolarHBondContact O-N 3.09Å; Y152-A154 VanDerWaalsContact C-N 3.34Å; Y152-A154 PolarHBondContact O-N 3.39Å; Y152-L155 PolarHBondContact O-N 3.33Å; Y152-I156 HydrophobicContact CD1-CD1 3.62Å; Y152-I156 HydrophobicContact CD1-CG1 4.47Å; Y152-I156 HydrophobicContact CE1-CD1 3.4Å; Y152-I156 HydrophobicContact CE1-CG1 4.28Å; Y152-I156 HydrophobicContact CG-CD1 4.48Å; Y152-I156 WeakPolarHBondContact O-CG1 3.22Å; Y152-I156 PolarHBondContact O-N 2.96Å |
| 153 | A | 76.9 | Confident | 69 | Low | 58 Ų | 58 | 90.5 Ų | 90.5 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y149 A150 I156 Y157 | Y149-A153 WeakPolarHBondContact O-CB 3.19Å; Y149-A153 PolarHBondContact O-N 3.37Å; A150-A153 PolarHBondContact O-N 2.88Å; A153-I156 PolarHBondContact O-N 3.42Å; A153-Y157 WeakPolarHBondContact O-CB 3.38Å; A153-Y157 PolarHBondContact O-N 2.92Å |
| 154 | A | 77.6 | Confident | 69.5 | Low | 60 Ų | 60 | 90.6 Ų | 90.6 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A150 S151 Y152 Y157 F158 | A150-A154 PolarHBondContact O-N 2.84Å; S151-A154 PolarHBondContact O-N 2.84Å; Y152-A154 VanDerWaalsContact C-N 3.34Å; Y152-A154 PolarHBondContact O-N 3.39Å; A154-Y157 PolarHBondContact O-N 3.39Å; A154-F158 WeakPolarHBondContact O-CB 3.12Å; A154-F158 PolarHBondContact O-N 2.85Å |
| 155 | L | 66.1 | Low | 70.2 | Confident | 115 Ų | 115 | 89.6 Ų | 89.6 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -39.6 | 175.5 | -73.2 | 171.2 | 0 | 0 | 0 | 112.2 | S151 Y152 F158 A159 | S151-L155 WeakPolarHBondContact O-CG 3.27Å; S151-L155 PolarHBondContact O-N 3.45Å; Y152-L155 PolarHBondContact O-N 3.33Å; L155-F158 PolarHBondContact O-N 2.99Å; L155-A159 WeakPolarHBondContact O-CB 3.34Å; L155-A159 PolarHBondContact O-N 3.26Å |
| 156 | I | 79 | Confident | 70.6 | Confident | 85 Ų | 85 | 91.1 Ų | 91.1 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 173.6 | -69.3 | 166.7 | 0 | 0 | 0 | 110.1 | Y152 A153 F158 A159 V160 | Y152-I156 HydrophobicContact CD1-CD1 3.62Å; Y152-I156 HydrophobicContact CD1-CG1 4.47Å; Y152-I156 HydrophobicContact CE1-CD1 3.4Å; Y152-I156 HydrophobicContact CE1-CG1 4.28Å; Y152-I156 HydrophobicContact CG-CD1 4.48Å; Y152-I156 WeakPolarHBondContact O-CG1 3.22Å; Y152-I156 PolarHBondContact O-N 2.96Å; A153-I156 PolarHBondContact O-N 3.42Å; I156-F158 VanDerWaalsContact C-N 3.32Å; I156-F158 PolarHBondContact O-N 3.48Å; I156-A159 PolarHBondContact O-N 2.81Å; I156-V160 WeakPolarHBondContact O-CG2 3.37Å; I156-V160 PolarHBondContact O-N 2.93Å |
| 157 | Y | 77.1 | Confident | 70.6 | Confident | 169 Ų | 169 | 93.8 Ų | 93.8 | 66% | 0.663 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -43.9 | 177.6 | -175.3 | -100.1 | 0 | 0 | 0 | 111.4 | A153 A154 A159 V160 C161 | A153-Y157 WeakPolarHBondContact O-CB 3.38Å; A153-Y157 PolarHBondContact O-N 2.92Å; A154-Y157 PolarHBondContact O-N 3.39Å; Y157-A159 VanDerWaalsContact C-N 3.35Å; Y157-A159 PolarHBondContact O-N 3.35Å; Y157-V160 PolarHBondContact O-N 2.86Å; Y157-C161 WeakPolarHBondContact CE1-SG 2.98Å; Y157-C161 PolarHBondContact O-N 3.16Å; Y157-C161 PolarHBondContact O-SG 2.89Å |
| 158 | F | 72.5 | Confident | 70.8 | Confident | 145 Ų | 145 | 95.9 Ų | 95.9 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -41.7 | 175.4 | -173.9 | -97.8 | 0 | 0 | 0 | 112.4 | A154 L155 I156 C161 A162 | A154-F158 WeakPolarHBondContact O-CB 3.12Å; A154-F158 PolarHBondContact O-N 2.85Å; L155-F158 PolarHBondContact O-N 2.99Å; I156-F158 VanDerWaalsContact C-N 3.32Å; I156-F158 PolarHBondContact O-N 3.48Å; F158-C161 PolarHBondContact O-N 3.48Å; F158-A162 VanDerWaalsContact O-CB 3.31Å; F158-A162 WeakPolarHBondContact O-CB 3.47Å; F158-A162 PolarHBondContact O-N 2.89Å |
| 159 | A | 68.1 | Low | 70.7 | Confident | 46 Ų | 46 | 94.2 Ų | 94.2 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L155 I156 Y157 A162 N163 | L155-A159 WeakPolarHBondContact O-CB 3.34Å; L155-A159 PolarHBondContact O-N 3.26Å; I156-A159 PolarHBondContact O-N 2.81Å; Y157-A159 VanDerWaalsContact C-N 3.35Å; Y157-A159 PolarHBondContact O-N 3.35Å; A159-A162 PolarHBondContact O-N 3.37Å; A159-N163 WeakPolarHBondContact O-CB 3.29Å; A159-N163 VanDerWaalsContact O-CG 3.29Å; A159-N163 PolarHBondContact O-N 3.32Å; A159-N163 PolarHBondContact O-ND2 2.87Å |
| 160 | V | 78.2 | Confident | 70.9 | Confident | 90 Ų | 90 | 92.9 Ų | 92.9 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | I156 Y157 A162 N163 A164 | I156-V160 WeakPolarHBondContact O-CG2 3.37Å; I156-V160 PolarHBondContact O-N 2.93Å; Y157-V160 PolarHBondContact O-N 2.86Å; V160-A162 PolarHBondContact O-N 2.74Å; V160-N163 PolarHBondContact O-N 3.04Å; V160-A164 PolarHBondContact O-N 2.76Å |
| 161 | C | 63.8 | Low | 70.9 | Confident | 47 Ų | 47 | 93.3 Ų | 93.3 | 32% | 0.318 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.4 | -69.3 | 0 | 0 | 0 | 0 | 112 | Y157 F158 N163 A164 V165 | Y157-C161 WeakPolarHBondContact CE1-SG 2.98Å; Y157-C161 PolarHBondContact O-N 3.16Å; Y157-C161 PolarHBondContact O-SG 2.89Å; F158-C161 PolarHBondContact O-N 3.48Å; C161-N163 VanDerWaalsContact C-N 3.34Å; C161-N163 PolarHBondContact O-N 3.28Å; C161-A164 PolarHBondContact O-N 3.28Å; C161-V165 VanDerWaalsContact O-CG2 3.29Å; C161-V165 WeakPolarHBondContact O-CG2 3.34Å; C161-V165 PolarHBondContact O-N 2.96Å |
| 162 | A | 69.4 | Low | 71.2 | Confident | 45 Ų | 45 | 95.2 Ų | 95.2 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F158 A159 V160 V165 L166 | F158-A162 VanDerWaalsContact O-CB 3.31Å; F158-A162 WeakPolarHBondContact O-CB 3.47Å; F158-A162 PolarHBondContact O-N 2.89Å; A159-A162 PolarHBondContact O-N 3.37Å; V160-A162 PolarHBondContact O-N 2.74Å; A162-V165 PolarHBondContact O-N 3.5Å; A162-L166 VanDerWaalsContact O-CB 3.27Å; A162-L166 WeakPolarHBondContact O-CB 3.14Å; A162-L166 PolarHBondContact O-N 2.92Å |
| 163 | N | 71.7 | Confident | 70.8 | Confident | 107 Ų | 107 | 94.1 Ų | 94.1 | 57% | 0.572 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.8 | -42.8 | 176.2 | -76.1 | -18.8 | 0 | 0 | 0 | 112.3 | A159 V160 C161 V165 L166 E167 | A159-N163 WeakPolarHBondContact O-CB 3.29Å; A159-N163 VanDerWaalsContact O-CG 3.29Å; A159-N163 PolarHBondContact O-N 3.32Å; A159-N163 PolarHBondContact O-ND2 2.87Å; V160-N163 PolarHBondContact O-N 3.04Å; C161-N163 VanDerWaalsContact C-N 3.34Å; C161-N163 PolarHBondContact O-N 3.28Å; N163-V165 VanDerWaalsContact C-N 3.34Å; N163-V165 PolarHBondContact O-N 3.46Å; N163-L166 PolarHBondContact O-N 2.89Å; N163-E167 WeakPolarHBondContact O-CB 2.8Å; N163-E167 PolarHBondContact O-N 3.36Å |
| 164 | A | 71 | Confident | 70.3 | Confident | 48 Ų | 48 | 98.1 Ų | 98.1 | 40% | 0.397 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | V160 C161 E167 K168 | V160-A164 PolarHBondContact O-N 2.76Å; C161-A164 PolarHBondContact O-N 3.28Å; A164-E167 PolarHBondContact O-N 2.88Å; A164-K168 WeakPolarHBondContact O-CG 3.36Å; A164-K168 PolarHBondContact O-N 3.44Å |
| 165 | V | 68.7 | Low | 69.5 | Low | 86 Ų | 86 | 101 Ų | 101 | 52% | 0.521 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | C161 A162 N163 E167 K168 I169 | C161-V165 VanDerWaalsContact O-CG2 3.29Å; C161-V165 WeakPolarHBondContact O-CG2 3.34Å; C161-V165 PolarHBondContact O-N 2.96Å; A162-V165 PolarHBondContact O-N 3.5Å; N163-V165 VanDerWaalsContact C-N 3.34Å; N163-V165 PolarHBondContact O-N 3.46Å; V165-E167 VanDerWaalsContact C-N 3.31Å; V165-E167 PolarHBondContact O-N 3.32Å; V165-K168 PolarHBondContact O-N 2.74Å; V165-I169 HydrophobicContact CG1-CD1 3.73Å; V165-I169 HydrophobicContact CG1-CG1 4.37Å; V165-I169 VanDerWaalsContact O-CG1 3.24Å; V165-I169 WeakPolarHBondContact O-CG1 3.48Å; V165-I169 PolarHBondContact O-N 2.72Å |
| 166 | L | 69.7 | Low | 69.3 | Low | 95 Ų | 95 | 98.7 Ų | 98.7 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 178 | -168.9 | 70.8 | 0 | 0 | 0 | 112.1 | A162 N163 I169 K170 | A162-L166 VanDerWaalsContact O-CB 3.27Å; A162-L166 WeakPolarHBondContact O-CB 3.14Å; A162-L166 PolarHBondContact O-N 2.92Å; N163-L166 PolarHBondContact O-N 2.89Å; L166-I169 PolarHBondContact O-N 3.12Å; L166-K170 WeakPolarHBondContact O-CB 3.18Å; L166-K170 PolarHBondContact O-N 3.23Å |
| 167 | E | 67.8 | Low | 68.6 | Low | 125 Ų | 125 | 99.8 Ų | 99.8 | 58% | 0.584 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 174.7 | -170.6 | 179.9 | -176.9 | 0 | 0 | 111.3 | N163 A164 V165 I169 K170 N171 | N163-E167 WeakPolarHBondContact O-CB 2.8Å; N163-E167 PolarHBondContact O-N 3.36Å; A164-E167 PolarHBondContact O-N 2.88Å; V165-E167 VanDerWaalsContact C-N 3.31Å; V165-E167 PolarHBondContact O-N 3.32Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 2.75Å; E167-K170 PolarHBondContact O-N 2.77Å; E167-N171 WeakPolarHBondContact O-CB 3.36Å; E167-N171 PolarHBondContact O-N 3.48Å; E167-N171 PolarHBondContact O-ND2 2.72Å; E167-N171 PolarHBondContact O-OD1 2.78Å |
| 168 | K | 70.4 | Confident | 67.7 | Low | 142 Ų | 142 | 94.2 Ų | 94.2 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 173.4 | -67 | -64.4 | -179.9 | -172.1 | 0 | 111.8 | A164 V165 N171 I172 | A164-K168 WeakPolarHBondContact O-CG 3.36Å; A164-K168 PolarHBondContact O-N 3.44Å; V165-K168 PolarHBondContact O-N 2.74Å; K168-N171 PolarHBondContact O-N 2.74Å; K168-I172 WeakPolarHBondContact O-CD1 3.17Å; K168-I172 WeakPolarHBondContact O-CG1 2.97Å; K168-I172 PolarHBondContact O-N 2.71Å |
| 169 | I | 66.9 | Low | 67.2 | Low | 75 Ų | 75 | 92 Ų | 92 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 175.4 | -68.7 | 166.9 | 0 | 0 | 0 | 110.4 | V165 L166 E167 N171 I172 F173 | V165-I169 HydrophobicContact CG1-CD1 3.73Å; V165-I169 HydrophobicContact CG1-CG1 4.37Å; V165-I169 VanDerWaalsContact O-CG1 3.24Å; V165-I169 WeakPolarHBondContact O-CG1 3.48Å; V165-I169 PolarHBondContact O-N 2.72Å; L166-I169 PolarHBondContact O-N 3.12Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 2.75Å; I169-N171 VanDerWaalsContact C-N 3.31Å; I169-N171 PolarHBondContact O-N 3.14Å; I169-I172 PolarHBondContact O-N 2.75Å; I169-F173 HydrophobicContact CG2-CD2 3.67Å; I169-F173 HydrophobicContact CG2-CE2 3.8Å; I169-F173 WeakPolarHBondContact O-CD2 3.24Å; I169-F173 PolarHBondContact O-N 2.84Å |
| 170 | K | 72.1 | Confident | 66.8 | Low | 141 Ų | 141 | 94.4 Ų | 94.4 | 61% | 0.613 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.9 | -43.6 | 175.1 | -88.8 | -174.7 | 173.2 | -177.1 | 0 | 112.1 | L166 E167 I172 F173 Q174 | L166-K170 WeakPolarHBondContact O-CB 3.18Å; L166-K170 PolarHBondContact O-N 3.23Å; E167-K170 PolarHBondContact O-N 2.77Å; K170-I172 VanDerWaalsContact C-N 3.34Å; K170-F173 PolarHBondContact O-N 2.89Å; K170-Q174 WeakPolarHBondContact O-CB 3.35Å; K170-Q174 PolarHBondContact O-N 3.29Å |
| 171 | N | 70.4 | Confident | 66 | Low | 70 Ų | 70 | 95.9 Ų | 95.9 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 177.9 | -66.6 | -15.4 | 0 | 0 | 0 | 111.2 | E167 K168 I169 Q174 E175 | E167-N171 WeakPolarHBondContact O-CB 3.36Å; E167-N171 PolarHBondContact O-N 3.48Å; E167-N171 PolarHBondContact O-ND2 2.72Å; E167-N171 PolarHBondContact O-OD1 2.78Å; K168-N171 PolarHBondContact O-N 2.74Å; I169-N171 VanDerWaalsContact C-N 3.31Å; I169-N171 PolarHBondContact O-N 3.14Å; N171-Q174 PolarHBondContact O-N 3.29Å; N171-E175 WeakPolarHBondContact O-CB 3.4Å; N171-E175 PolarHBondContact O-N 3.46Å |
| 172 | I | 67.8 | Low | 65.8 | Low | 104 Ų | 104 | 98.5 Ų | 98.5 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 174.1 | -68.9 | 162.6 | 0 | 0 | 0 | 111.1 | K168 I169 K170 E176 | K168-I172 WeakPolarHBondContact O-CD1 3.17Å; K168-I172 WeakPolarHBondContact O-CG1 2.97Å; K168-I172 PolarHBondContact O-N 2.71Å; I169-I172 PolarHBondContact O-N 2.75Å; K170-I172 VanDerWaalsContact C-N 3.34Å; I172-E176 WeakPolarHBondContact O-CB 3.41Å; I172-E176 PolarHBondContact O-N 3.29Å |
| 173 | F | 62.3 | Low | 65.4 | Low | 124 Ų | 124 | 104.2 Ų | 104.2 | 54% | 0.544 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -39.7 | 176 | -93.2 | -83.4 | 0 | 0 | 0 | 112.5 | I169 K170 E176 E177 | I169-F173 HydrophobicContact CG2-CD2 3.67Å; I169-F173 HydrophobicContact CG2-CE2 3.8Å; I169-F173 WeakPolarHBondContact O-CD2 3.24Å; I169-F173 PolarHBondContact O-N 2.84Å; K170-F173 PolarHBondContact O-N 2.89Å; F173-E176 PolarHBondContact O-N 3.24Å; F173-E177 WeakPolarHBondContact O-CB 3.48Å; F173-E177 PolarHBondContact O-N 2.75Å |
| 174 | Q | 66.2 | Low | 64.9 | Low | 141 Ų | 141 | 104.9 Ų | 104.9 | 66% | 0.659 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.5 | -41.1 | 173.6 | -104 | -175.7 | -17.2 | 0 | 0 | 112 | K170 N171 E177 S178 | K170-Q174 WeakPolarHBondContact O-CB 3.35Å; K170-Q174 PolarHBondContact O-N 3.29Å; N171-Q174 PolarHBondContact O-N 3.29Å; Q174-E177 PolarHBondContact O-N 3.48Å; Q174-S178 WeakPolarHBondContact O-CB 3.27Å; Q174-S178 PolarHBondContact O-N 3.38Å; Q174-S178 PolarHBondContact O-OG 3.45Å; Q174-S178 VanDerWaalsContact O-OG 3.1Å |
| 175 | E | 61.2 | Low | 64.2 | Low | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.7 | -43 | 173.6 | -169 | 176.3 | 176.7 | 0 | 0 | 110.4 | N171 E177 S178 I179 | N171-E175 WeakPolarHBondContact O-CB 3.4Å; N171-E175 PolarHBondContact O-N 3.46Å; E175-E177 PolarHBondContact O-N 2.87Å; E175-S178 WeakPolarHBondContact CA-OG 3.44Å; E175-S178 PolarHBondContact O-N 3.29Å; E175-S178 PolarHBondContact O-OG 2.88Å; E175-I179 HydrophobicContact CG-CD1 3.99Å; E175-I179 WeakPolarHBondContact O-CB 3.41Å; E175-I179 WeakPolarHBondContact O-CD1 3.23Å; E175-I179 WeakPolarHBondContact O-CG1 3.36Å; E175-I179 PolarHBondContact O-N 2.81Å |
| 176 | E | 61.7 | Low | 63.7 | Low | 66 Ų | 66 | 106.5 Ų | 106.5 | 31% | 0.308 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 173.2 | -166.8 | -163 | 159.7 | 0 | 0 | 111.4 | R72 I172 F173 I179 R180 | R72-E176 IonicContact CZ-OE1 3.71Å; R72-E176 IonicContact NH1-OE1 3.96Å; R72-E176 IonicContact NH2-OE1 2.74Å; R72-E176 PolarHBondContact NH2-OE1 2.61Å; I172-E176 WeakPolarHBondContact O-CB 3.41Å; I172-E176 PolarHBondContact O-N 3.29Å; F173-E176 PolarHBondContact O-N 3.24Å; E176-I179 PolarHBondContact O-N 2.68Å; E176-R180 VanDerWaalsContact O-CG 3.28Å; E176-R180 WeakPolarHBondContact O-CG 3.22Å; E176-R180 PolarHBondContact O-N 2.79Å; E176-R180 IonicContact OE1-NE 2.94Å |
| 177 | E | 63.3 | Low | 63.2 | Low | 108 Ų | 108 | 106.2 Ų | 106.2 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -39.9 | -177.5 | -157.2 | 67.7 | -172.7 | 0 | 0 | 111.5 | F173 Q174 E175 I179 R180 Q181 | F173-E177 WeakPolarHBondContact O-CB 3.48Å; F173-E177 PolarHBondContact O-N 2.75Å; Q174-E177 PolarHBondContact O-N 3.48Å; E175-E177 PolarHBondContact O-N 2.87Å; E177-I179 VanDerWaalsContact C-N 3.34Å; E177-I179 PolarHBondContact O-N 3.27Å; E177-R180 PolarHBondContact O-N 2.88Å; E177-R180 IonicContact OE2-NH1 3.78Å; E177-Q181 WeakPolarHBondContact O-CB 3.13Å; E177-Q181 PolarHBondContact O-N 3.43Å |
| 178 | S | 57.8 | Low | 62.6 | Low | 51 Ų | 51 | 105.2 Ų | 105.2 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -33.3 | 172.8 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | Q174 E175 N182 | Q174-S178 WeakPolarHBondContact O-CB 3.27Å; Q174-S178 PolarHBondContact O-N 3.38Å; Q174-S178 PolarHBondContact O-OG 3.45Å; Q174-S178 VanDerWaalsContact O-OG 3.1Å; E175-S178 WeakPolarHBondContact CA-OG 3.44Å; E175-S178 PolarHBondContact O-N 3.29Å; E175-S178 PolarHBondContact O-OG 2.88Å; S178-N182 WeakPolarHBondContact O-CB 3.32Å; S178-N182 PolarHBondContact O-N 3.47Å; S178-N182 PolarHBondContact O-ND2 2.83Å; S178-N182 VanDerWaalsContact O-ND2 3.14Å |
| 179 | I | 62.3 | Low | 61.9 | Low | 100 Ų | 100 | 101.6 Ų | 101.6 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.6 | -38.7 | 173.5 | -70 | 164.8 | 0 | 0 | 0 | 110.6 | E175 E176 E177 R183 | E175-I179 HydrophobicContact CG-CD1 3.99Å; E175-I179 WeakPolarHBondContact O-CB 3.41Å; E175-I179 WeakPolarHBondContact O-CD1 3.23Å; E175-I179 WeakPolarHBondContact O-CG1 3.36Å; E175-I179 PolarHBondContact O-N 2.81Å; E176-I179 PolarHBondContact O-N 2.68Å; E177-I179 VanDerWaalsContact C-N 3.34Å; E177-I179 PolarHBondContact O-N 3.27Å; I179-R183 VanDerWaalsContact O-CB 3.29Å; I179-R183 WeakPolarHBondContact O-CB 3.4Å; I179-R183 PolarHBondContact O-N 2.66Å |
| 180 | R | 61.2 | Low | 61.3 | Low | 96 Ų | 96 | 107.1 Ų | 107.1 | 36% | 0.362 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.1 | -72.2 | 175.1 | 109 | -165.1 | -1.8 | 111.3 | R72 E176 E177 R183 E184 | R72-R180 VanDerWaalsContact CZ-CZ 3.48Å; R72-R180 VanDerWaalsContact NH1-NH2 3.18Å; R72-R180 VanDerWaalsContact NH2-NH2 3.17Å; E176-R180 VanDerWaalsContact O-CG 3.28Å; E176-R180 WeakPolarHBondContact O-CG 3.22Å; E176-R180 PolarHBondContact O-N 2.79Å; E176-R180 IonicContact OE1-NE 2.94Å; E177-R180 PolarHBondContact O-N 2.88Å; E177-R180 IonicContact OE2-NH1 3.78Å; R180-R183 WeakPolarHBondContact O-CB 2.97Å; R180-R183 PolarHBondContact O-N 3.49Å; R180-E184 WeakPolarHBondContact O-CG 3.45Å; R180-E184 PolarHBondContact O-N 3.02Å |
| 181 | Q | 59.9 | Low | 60.3 | Low | 121 Ų | 121 | 107.9 Ų | 107.9 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.8 | -46.7 | 175.7 | -170.8 | 176.4 | -6.3 | 0 | 0 | 111.7 | E177 R183 E184 E185 | E177-Q181 WeakPolarHBondContact O-CB 3.13Å; E177-Q181 PolarHBondContact O-N 3.43Å; Q181-R183 VanDerWaalsContact C-N 3.25Å; Q181-R183 PolarHBondContact O-N 2.79Å; Q181-E184 PolarHBondContact O-N 3.14Å; Q181-E185 VanDerWaalsContact O-CB 3.25Å; Q181-E185 WeakPolarHBondContact O-CB 3.25Å; Q181-E185 PolarHBondContact O-N 3.42Å |
| 182 | N | 59.6 | Low | 59.4 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 173.9 | -95.1 | -67.7 | 0 | 0 | 0 | 112.5 | S178 S186 | S178-N182 WeakPolarHBondContact O-CB 3.32Å; S178-N182 PolarHBondContact O-N 3.47Å; S178-N182 PolarHBondContact O-ND2 2.83Å; S178-N182 VanDerWaalsContact O-ND2 3.14Å; N182-S186 WeakPolarHBondContact O-CB 3.29Å; N182-S186 PolarHBondContact O-N 3.22Å; N182-S186 PolarHBondContact O-OG 2.92Å |
| 183 | R | 61.8 | Low | 58.7 | Low | 164 Ų | 164 | 111.9 Ų | 111.9 | 62% | 0.619 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.3 | -45.9 | 176.3 | -177.1 | 175.1 | 175.9 | 165.4 | 0.9 | 111.3 | I179 R180 Q181 E185 S186 E187 | I179-R183 VanDerWaalsContact O-CB 3.29Å; I179-R183 WeakPolarHBondContact O-CB 3.4Å; I179-R183 PolarHBondContact O-N 2.66Å; R180-R183 WeakPolarHBondContact O-CB 2.97Å; R180-R183 PolarHBondContact O-N 3.49Å; Q181-R183 VanDerWaalsContact C-N 3.25Å; Q181-R183 PolarHBondContact O-N 2.79Å; R183-E185 VanDerWaalsContact C-N 3.34Å; R183-S186 PolarHBondContact O-N 3.46Å; R183-S186 PolarHBondContact O-OG 3.44Å; R183-E187 HydrophobicContact CG-CG 4.44Å; R183-E187 WeakPolarHBondContact CG-OE1 3.49Å; R183-E187 IonicContact CZ-OE1 3.7Å; R183-E187 IonicContact NE-OE1 3.94Å; R183-E187 PolarHBondContact NE-OE1 3.39Å; R183-E187 IonicContact NH2-OE1 3.99Å; R183-E187 WeakPolarHBondContact O-CB 3.31Å; R183-E187 VanDerWaalsContact O-CG 3.27Å; R183-E187 WeakPolarHBondContact O-CG 3.24Å; R183-E187 PolarHBondContact O-N 3.23Å |
| 184 | E | 60.1 | Low | 58.3 | Low | 122 Ų | 122 | 110.2 Ų | 110.2 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.7 | -38.8 | 175.8 | -74.9 | 174.4 | -175.9 | 0 | 0 | 111.9 | R180 Q181 E187 N188 | R180-E184 WeakPolarHBondContact O-CG 3.45Å; R180-E184 PolarHBondContact O-N 3.02Å; Q181-E184 PolarHBondContact O-N 3.14Å; E184-E187 PolarHBondContact O-N 2.73Å; E184-N188 VanDerWaalsContact O-CB 3.3Å; E184-N188 WeakPolarHBondContact O-CB 3.09Å; E184-N188 VanDerWaalsContact O-CG 3.32Å; E184-N188 PolarHBondContact O-N 3.25Å; E184-N188 PolarHBondContact O-ND2 3.45Å |
| 185 | E | 57 | Low | 57.3 | Low | 112 Ų | 112 | 110.7 Ų | 110.7 | 52% | 0.523 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.5 | -38.4 | 175.2 | -157.1 | 166.8 | -149.2 | 0 | 0 | 111.5 | Q181 R183 N188 C189 | Q181-E185 VanDerWaalsContact O-CB 3.25Å; Q181-E185 WeakPolarHBondContact O-CB 3.25Å; Q181-E185 PolarHBondContact O-N 3.42Å; R183-E185 VanDerWaalsContact C-N 3.34Å; E185-N188 PolarHBondContact O-N 2.84Å; E185-C189 WeakPolarHBondContact O-CB 3.07Å; E185-C189 PolarHBondContact O-N 2.8Å; E185-C189 PolarHBondContact O-SG 2.94Å; E185-C189 VanDerWaalsContact O-SG 3.38Å |
| 186 | S | 57.3 | Low | 56.5 | Low | 55 Ų | 55 | 110.3 Ų | 110.3 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.9 | -34.8 | 172.6 | 81.1 | 0 | 0 | 0 | 0 | 113.3 | N182 R183 R190 | N182-S186 WeakPolarHBondContact O-CB 3.29Å; N182-S186 PolarHBondContact O-N 3.22Å; N182-S186 PolarHBondContact O-OG 2.92Å; R183-S186 PolarHBondContact O-N 3.46Å; R183-S186 PolarHBondContact O-OG 3.44Å; S186-R190 WeakPolarHBondContact O-CB 3.4Å; S186-R190 WeakPolarHBondContact O-CG 3.4Å; S186-R190 PolarHBondContact O-N 2.89Å |
| 187 | E | 59.5 | Low | 55.8 | Low | 89 Ų | 89 | 113 Ų | 113 | 42% | 0.416 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74 | -35.1 | 176.2 | -75.2 | 176.5 | -170.4 | 0 | 0 | 110.3 | R183 E184 R190 K191 | R183-E187 HydrophobicContact CG-CG 4.44Å; R183-E187 WeakPolarHBondContact CG-OE1 3.49Å; R183-E187 IonicContact CZ-OE1 3.7Å; R183-E187 IonicContact NE-OE1 3.94Å; R183-E187 PolarHBondContact NE-OE1 3.39Å; R183-E187 IonicContact NH2-OE1 3.99Å; R183-E187 WeakPolarHBondContact O-CB 3.31Å; R183-E187 VanDerWaalsContact O-CG 3.27Å; R183-E187 WeakPolarHBondContact O-CG 3.24Å; R183-E187 PolarHBondContact O-N 3.23Å; E184-E187 PolarHBondContact O-N 2.73Å; E187-R190 PolarHBondContact O-N 2.72Å; E187-K191 WeakPolarHBondContact O-CB 3.38Å; E187-K191 PolarHBondContact O-N 2.83Å |
| 188 | N | 57 | Low | 54.9 | Low | 105 Ų | 105 | 114.7 Ų | 114.7 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.9 | -41.1 | 170.9 | -81.1 | -22.5 | 0 | 0 | 0 | 112.2 | E184 E185 K191 A192 | E184-N188 VanDerWaalsContact O-CB 3.3Å; E184-N188 WeakPolarHBondContact O-CB 3.09Å; E184-N188 VanDerWaalsContact O-CG 3.32Å; E184-N188 PolarHBondContact O-N 3.25Å; E184-N188 PolarHBondContact O-ND2 3.45Å; E185-N188 PolarHBondContact O-N 2.84Å; N188-K191 PolarHBondContact O-N 2.71Å; N188-A192 WeakPolarHBondContact O-CB 3.21Å; N188-A192 PolarHBondContact O-N 3.45Å |
| 189 | C | 53.7 | Low | 54.5 | Low | 66 Ų | 66 | 116.7 Ų | 116.7 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.8 | -46.7 | 170.2 | -76.3 | 0 | 0 | 0 | 0 | 110.6 | E185 K191 A192 F193 | E185-C189 WeakPolarHBondContact O-CB 3.07Å; E185-C189 PolarHBondContact O-N 2.8Å; E185-C189 PolarHBondContact O-SG 2.94Å; E185-C189 VanDerWaalsContact O-SG 3.38Å; C189-K191 VanDerWaalsContact C-N 3.34Å; C189-K191 PolarHBondContact O-N 3.33Å; C189-A192 PolarHBondContact O-N 3.27Å; C189-F193 WeakPolarHBondContact O-CD2 3.19Å; C189-F193 PolarHBondContact O-N 3.26Å |
| 190 | R | 55 | Low | 53.6 | Low | 190 Ų | 190 | 120.6 Ų | 120.6 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.8 | -35 | 176.2 | -79.2 | -178.3 | 177.1 | 179.4 | 0.2 | 113.2 | S186 E187 F193 S194 | S186-R190 WeakPolarHBondContact O-CB 3.4Å; S186-R190 WeakPolarHBondContact O-CG 3.4Å; S186-R190 PolarHBondContact O-N 2.89Å; E187-R190 PolarHBondContact O-N 2.72Å; R190-F193 PolarHBondContact O-N 3.02Å; R190-S194 WeakPolarHBondContact O-CB 3.2Å; R190-S194 PolarHBondContact O-N 2.88Å; R190-S194 PolarHBondContact O-OG 3.1Å |
| 191 | K | 51.6 | Low | 52.7 | Low | 158 Ų | 158 | 119.3 Ų | 119.3 | 69% | 0.687 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.4 | -39.7 | 172.7 | -88.4 | -175.5 | 173 | -178.1 | 0 | 112.5 | E187 N188 C189 F193 S194 | E187-K191 WeakPolarHBondContact O-CB 3.38Å; E187-K191 PolarHBondContact O-N 2.83Å; N188-K191 PolarHBondContact O-N 2.71Å; C189-K191 VanDerWaalsContact C-N 3.34Å; C189-K191 PolarHBondContact O-N 3.33Å; K191-F193 PolarHBondContact O-N 3.45Å; K191-S194 PolarHBondContact O-N 3.34Å; K191-S194 VanDerWaalsContact O-N 3.13Å |
| 192 | A | 52.2 | Low | 52 | Low | 80 Ų | 80 | 122.8 Ų | 122.8 | 66% | 0.661 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.4 | -22 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N188 C189 | N188-A192 WeakPolarHBondContact O-CB 3.21Å; N188-A192 PolarHBondContact O-N 3.45Å; C189-A192 PolarHBondContact O-N 3.27Å |
| 193 | F | 52.1 | Low | 51.4 | Low | 177 Ų | 177 | 126.5 Ų | 126.5 | 78% | 0.776 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -1.4 | 173.8 | -69.2 | -64.8 | 0 | 0 | 0 | 114.3 | C189 R190 K191 | C189-F193 WeakPolarHBondContact O-CD2 3.19Å; C189-F193 PolarHBondContact O-N 3.26Å; R190-F193 PolarHBondContact O-N 3.02Å; K191-F193 PolarHBondContact O-N 3.45Å |
| 194 | S | 53.8 | Low | 51 | Low | 90 Ų | 90 | 123.2 Ų | 123.2 | 63% | 0.629 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -122.6 | 48.6 | -176.8 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | R190 K191 | R190-S194 WeakPolarHBondContact O-CB 3.2Å; R190-S194 PolarHBondContact O-N 2.88Å; R190-S194 PolarHBondContact O-OG 3.1Å; K191-S194 PolarHBondContact O-N 3.34Å; K191-S194 VanDerWaalsContact O-N 3.13Å |
| 195 | E | 44.9 | Very low | 50.4 | Low | 150 Ų | 150 | 127.5 Ų | 127.5 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | trans | -157.9 | 99.8 | 155.8 | -152.5 | 162.4 | -152.8 | 0 | 0 | 107.9 | V197 | E195-V197 VanDerWaalsContact C-N 3.29Å; E195-V197 PolarHBondContact O-N 3.31Å | ||
| 196 | P | 45.8 | Very low | 50.1 | Low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 68% | 0.679 | S | S | * | * | trans | -64.8 | 107.2 | 152 | 27 | -24.8 | 0 | 0 | 0 | 104.4 | L198 | P196-L198 PolarHBondContact O-N 3.33Š| ||
| 197 | V | 46.3 | Very low | 49.7 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 74% | 0.739 | 71% | 0.705 | S | S | * | * | trans | -58.1 | 92.4 | 161.4 | 175.4 | 0 | 0 | 0 | 0 | 104.9 | E195 S199 | E195-V197 VanDerWaalsContact C-N 3.29Å; E195-V197 PolarHBondContact O-N 3.31Å; V197-S199 PolarHBondContact O-N 2.92Å | ||
| 198 | L | 44.4 | Very low | 49.3 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | trans | -72 | 83.9 | 171.7 | -140.9 | 169.7 | 0 | 0 | 0 | 103.7 | P196 E200 | P196-L198 PolarHBondContact O-N 3.33Å; L198-E200 PolarHBondContact O-N 2.82Å | ||
| 199 | S | 49.2 | Very low | 49.1 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | trans | -51 | 111.8 | 163.4 | 46.7 | 0 | 0 | 0 | 0 | 105.9 | V197 P201 | V197-S199 PolarHBondContact O-N 2.92Å; S199-P201 VanDerWaalsContact O-N 3.07Å | ||
| 200 | E | 43.9 | Very low | 49.2 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -41.5 | 115.5 | 176.1 | -156.9 | 168.2 | -150.3 | 0 | 0 | 107.8 | L198 M202 | L198-E200 PolarHBondContact O-N 2.82Å; E200-M202 PolarHBondContact O-N 3.43Å | ||
| 201 | P | 42.3 | Very low | 48.9 | Very low | 70 Ų | 70 | 141.2 Ų | 141.2 | 46% | 0.455 | 76% | 0.761 | S | S | . | * | trans | -68.7 | 113.4 | 179.6 | -3.4 | 17.4 | 0 | 0 | 0 | 105.7 | S199 F203 | S199-P201 VanDerWaalsContact O-N 3.07Å; P201-F203 HydrophobicContact CB-CD2 3.87Å; P201-F203 HydrophobicContact CB-CE2 3.47Å; P201-F203 VanDerWaalsContact CB-CE2 3.47Å; P201-F203 HydrophobicContact CB-CZ 3.86Å; P201-F203 HydrophobicContact CG-CD2 4.35Å; P201-F203 HydrophobicContact CG-CE2 3.68Å; P201-F203 HydrophobicContact CG-CZ 4.24Å; P201-F203 WeakPolarHBondContact O-CD2 3.29Å; P201-F203 PolarHBondContact O-N 2.98Å | ||
| 202 | M | 45.2 | Very low | 48.5 | Very low | 193 Ų | 193 | 139.6 Ų | 139.6 | 95% | 0.951 | 77% | 0.767 | S | S | * | * | trans | -67 | 80.9 | 173 | -163.2 | 175.1 | -177.8 | 0 | 0 | 107.5 | E200 A204 | E200-M202 PolarHBondContact O-N 3.43Å; M202-A204 PolarHBondContact O-N 3.26Å | ||
| 203 | F | 47.2 | Very low | 48 | Very low | 180 Ų | 180 | 147 Ų | 147 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | trans | -73.5 | 119.4 | 171.7 | -71.8 | -71.7 | 0 | 0 | 0 | 107.7 | P201 E205 | P201-F203 HydrophobicContact CB-CD2 3.87Å; P201-F203 HydrophobicContact CB-CE2 3.47Å; P201-F203 VanDerWaalsContact CB-CE2 3.47Å; P201-F203 HydrophobicContact CB-CZ 3.86Å; P201-F203 HydrophobicContact CG-CD2 4.35Å; P201-F203 HydrophobicContact CG-CE2 3.68Å; P201-F203 HydrophobicContact CG-CZ 4.24Å; P201-F203 WeakPolarHBondContact O-CD2 3.29Å; P201-F203 PolarHBondContact O-N 2.98Å; F203-E205 PolarHBondContact O-N 3.12Å | ||
| 204 | A | 53.3 | Low | 47.5 | Very low | 95 Ų | 95 | 150.2 Ų | 150.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -59.1 | 135.4 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | M202 G206 | M202-A204 PolarHBondContact O-N 3.26Å; A204-G206 VanDerWaalsContact C-N 3.27Å; A204-G206 PolarHBondContact O-N 3.01Å | ||
| 205 | E | 46.6 | Very low | 47.2 | Very low | 212 Ų | 212 | 151.3 Ų | 151.3 | 99% | 0.991 | 79% | 0.794 | S | S | * | * | trans | -56.3 | 83.3 | 176.7 | -135.1 | 116.2 | -162.6 | 0 | 0 | 110.9 | F203 | F203-E205 PolarHBondContact O-N 3.12Š| ||
| 206 | G | 50.4 | Low | 47.7 | Very low | 55 Ų | 55 | 152.1 Ų | 152.1 | 57% | 0.567 | 80% | 0.803 | S | S | * | * | trans | -128.5 | 105.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | A204 I208 | A204-G206 VanDerWaalsContact C-N 3.27Å; A204-G206 PolarHBondContact O-N 3.01Å; G206-I208 PolarHBondContact O-N 3.29Å | ||
| 207 | E | 48.4 | Very low | 47.6 | Very low | 199 Ų | 199 | 152.7 Ų | 152.7 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -31.3 | 102.6 | 174.7 | -101.1 | -178 | 151.2 | 0 | 0 | 113.8 | K209 | E207-K209 PolarHBondContact O-N 3.36Š| ||
| 208 | I | 51.3 | Low | 47 | Very low | 166 Ų | 166 | 154.7 Ų | 154.7 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -83.1 | 96.2 | 170.3 | -56.9 | 179.1 | 0 | 0 | 0 | 108 | G206 A210 | G206-I208 PolarHBondContact O-N 3.29Å; I208-A210 PolarHBondContact O-N 3.16Å | ||
| 209 | K | 52.8 | Low | 46.9 | Very low | 204 Ų | 204 | 155.6 Ų | 155.6 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -78.1 | 101.1 | 174.9 | -152.4 | 179 | -170 | 174.9 | 0 | 110.1 | E207 | E207-K209 PolarHBondContact O-N 3.36Š| ||
| 210 | A | 56 | Low | 46.8 | Very low | 93 Ų | 93 | 157 Ų | 157 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 128.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I208 | I208-A210 PolarHBondContact O-N 3.16Š|
| 211 | K | 48.4 | Very low | 46.5 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 140.9 | 169.8 | -73.3 | -173.5 | 178.2 | 179.6 | 0 | 110.1 | ||
| 212 | P | 43.3 | Very low | 46.1 | Very low | 125 Ų | 125 | 159.2 Ų | 159.2 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 138.3 | 176.9 | -6.5 | 22.7 | 0 | 0 | 0 | 110.6 | ||
| 213 | Y | 42.6 | Very low | 45.9 | Very low | 236 Ų | 236 | 154 Ų | 154 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 132.7 | 173.4 | -89.9 | -95 | 0 | 0 | 0 | 111 | ||
| 214 | R | 41.8 | Very low | 45.4 | Very low | 243 Ų | 243 | 152.5 Ų | 152.5 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 123 | 178.9 | -165.7 | -178.5 | -162.7 | -179.2 | 4.3 | 109.5 | ||
| 215 | S | 48 | Very low | 44.6 | Very low | 113 Ų | 113 | 158.9 Ų | 158.9 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 138 | 172.2 | -2.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 216 | L | 54.2 | Low | 44.2 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 145.4 | 172.1 | -91.6 | 147.5 | 0 | 0 | 0 | 111.1 | ||
| 217 | P | 44.4 | Very low | 43.6 | Very low | 126 Ų | 126 | 161.3 Ų | 161.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 151.2 | -174.8 | 32.4 | -31.6 | 0 | 0 | 0 | 112.8 | ||
| 218 | E | 34.2 | Very low | 42.9 | Very low | 165 Ų | 165 | 158.8 Ų | 158.8 | 77% | 0.771 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 125 | -175.2 | -177.6 | 167.4 | -170.1 | 0 | 0 | 112.1 | ||
| 219 | K | 42.3 | Very low | 42 | Very low | 162 Ų | 162 | 159.1 Ų | 159.1 | 70% | 0.704 | 81% | 0.812 | S | S | * | * | trans | 67.8 | 157.7 | 148.4 | -81.6 | 179.5 | -176.2 | 171.9 | 0 | 120.1 | ||||
| 220 | P | 46.6 | Very low | 41.4 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | cis | -144 | 173.1 | 44 | 38.7 | -15.9 | 0 | 0 | 0 | 120.1 | ||||
| 221 | D | 37.3 | Very low | 40.3 | Very low | 131 Ų | 131 | 155.5 Ų | 155.5 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -53.7 | 150.1 | 173 | -67.2 | -54.2 | 0 | 0 | 0 | 114.4 | ||||
| 222 | I | 33.2 | Very low | 40 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | 176.8 | 148.5 | 122.3 | -82.8 | 151.4 | 0 | 0 | 0 | 110 | |||||
| 223 | S | 42.7 | Very low | 40.2 | Very low | 85 Ų | 85 | 157.2 Ų | 157.2 | 59% | 0.594 | 80% | 0.797 | S | S | * | * | trans | -51.7 | 153 | -176 | 58.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 224 | D | 35.1 | Very low | 40.2 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | 168.6 | 121.9 | 112.1 | -83.2 | -16.2 | 0 | 0 | 0 | 110.5 | |||||
| 225 | Y | 37.1 | Very low | 40.4 | Very low | 229 Ų | 229 | 145.9 Ų | 145.9 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -74.9 | 149.3 | 163.9 | -89.9 | -87.3 | 0 | 0 | 0 | 109.8 | ||||
| 226 | P | 39.3 | Very low | 40.2 | Very low | 126 Ų | 126 | 149 Ų | 149 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -135.8 | 168.4 | 114.8 | 20.5 | 0.1 | 0 | 0 | 0 | 114.8 | |||||
| 227 | K | 36 | Very low | 40.4 | Very low | 192 Ų | 192 | 147.9 Ų | 147.9 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -76.6 | 154 | -158.9 | -76.4 | 165.3 | 169 | 169.9 | 0 | 117 | ||||
| 228 | L | 33.9 | Very low | 40.8 | Very low | 146 Ų | 146 | 150 Ų | 150 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | 59.9 | 117.3 | 141.7 | -97.3 | 144.8 | 0 | 0 | 0 | 120.9 | A230 | L228-A230 HydrophobicContact CD2-CB 4.43Š| ||
| 229 | L | 32.8 | Very low | 41.9 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | -148.4 | 113.4 | 125.1 | -129.2 | 151 | 0 | 0 | 0 | 110.3 | |||||
| 230 | A | 39.7 | Very low | 42.5 | Very low | 74 Ų | 74 | 147.3 Ų | 147.3 | 61% | 0.612 | 77% | 0.771 | S | S | * | * | trans | -79.3 | 118.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L228 | L228-A230 HydrophobicContact CD2-CB 4.43Š| ||
| 231 | N | 34 | Very low | 42.7 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -172.9 | 146.2 | 139 | -133.5 | -34.9 | 0 | 0 | 0 | 113.3 | ||||
| 232 | K | 42.7 | Very low | 43.5 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 77.3 | 77.7 | 164.8 | -60.9 | -175 | 179.4 | -178.7 | 0 | 117.7 | S234 | K232-S234 PolarHBondContact O-N 3.4Š| ||
| 233 | Q | 45.8 | Very low | 44.7 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -52.1 | 102.4 | 142.8 | -173.1 | 176.1 | 8.6 | 0 | 0 | 109.3 | ||||
| 234 | S | 43.9 | Very low | 44.9 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -122.9 | 100.8 | 165.7 | 59.2 | 0 | 0 | 0 | 0 | 108 | K232 K236 | K232-S234 PolarHBondContact O-N 3.4Å; S234-K236 VanDerWaalsContact C-N 3.32Å; S234-K236 PolarHBondContact O-N 3.02Å | ||
| 235 | N | 44.7 | Very low | 45.6 | Very low | 143 Ų | 143 | 151.5 Ų | 151.5 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -72.1 | 87.2 | 175.7 | -66.5 | -24.6 | 0 | 0 | 0 | 108.4 | ||||
| 236 | K | 45.2 | Very low | 46.1 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | -101.2 | 90.6 | 171.9 | -159.5 | 173.6 | -174.2 | -179.9 | 0 | 108.5 | S234 Q238 | S234-K236 VanDerWaalsContact C-N 3.32Å; S234-K236 PolarHBondContact O-N 3.02Å; K236-Q238 PolarHBondContact O-N 2.98Å | ||
| 237 | I | 57.4 | Low | 46.4 | Very low | 145 Ų | 145 | 148 Ų | 148 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | -67 | 110.3 | 167.1 | -59.4 | 172.9 | 0 | 0 | 0 | 106.2 | V239 | I237-V239 HydrophobicContact CG2-CG2 3.87Å; I237-V239 PolarHBondContact O-N 3.29Å | ||
| 238 | Q | 54.4 | Low | 46.8 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -79.1 | 96.6 | 168.2 | -75.2 | 179.5 | -1.5 | 0 | 0 | 107.6 | K236 L240 | K236-Q238 PolarHBondContact O-N 2.98Å; Q238-L240 PolarHBondContact O-N 3.31Å | ||
| 239 | V | 55.3 | Low | 47.6 | Very low | 99 Ų | 99 | 145.1 Ų | 145.1 | 60% | 0.6 | 78% | 0.775 | S | S | * | * | trans | -75.4 | 112.5 | 169.7 | -179.4 | 0 | 0 | 0 | 0 | 107.1 | I237 H241 | I237-V239 HydrophobicContact CG2-CG2 3.87Å; I237-V239 PolarHBondContact O-N 3.29Å; V239-H241 PolarHBondContact O-N 3.14Å; V239-H241 VanDerWaalsContact O-N 3.17Å | ||
| 240 | L | 54.8 | Low | 48 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | trans | -66.7 | 108.1 | 168.2 | -77.4 | 160.3 | 0 | 0 | 0 | 107.7 | Q238 S242 | Q238-L240 PolarHBondContact O-N 3.31Å; L240-S242 PolarHBondContact O-N 3.02Å | ||
| 241 | H | 51.6 | Low | 48.2 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -69.4 | 121.3 | 169.2 | -74.6 | -85.9 | 0 | 0 | 0 | 108.8 | V239 V243 | V239-H241 PolarHBondContact O-N 3.14Å; V239-H241 VanDerWaalsContact O-N 3.17Å; H241-V243 PolarHBondContact O-N 3.49Å | ||
| 242 | S | 55.2 | Low | 48.8 | Very low | 94 Ų | 94 | 149.6 Ų | 149.6 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | -63.1 | 127 | 173.6 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | L240 F244 | L240-S242 PolarHBondContact O-N 3.02Å; S242-F244 PolarHBondContact O-N 3.01Å | ||
| 243 | V | 56.7 | Low | 48.5 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -81.6 | 49.2 | -176.3 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | H241 | H241-V243 PolarHBondContact O-N 3.49Š|
| 244 | F | 48.8 | Very low | 48.1 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -135.7 | 27.4 | -179.5 | -74.4 | -71.7 | 0 | 0 | 0 | 114.4 | S242 Q246 | S242-F244 PolarHBondContact O-N 3.01Å; F244-Q246 PolarHBondContact O-N 3.15Å | ||
| 245 | D | 48.7 | Very low | 48.3 | Very low | 168 Ų | 168 | 156.7 Ų | 156.7 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | trans | -92.6 | 83.7 | 161.2 | -73.1 | -25.6 | 0 | 0 | 0 | 108.7 | ||||
| 246 | Q | 46.9 | Very low | 48.5 | Very low | 189 Ų | 189 | 157.4 Ų | 157.4 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -85.6 | 115.7 | 170 | -153 | 168 | 16.2 | 0 | 0 | 108.4 | F244 A248 | F244-Q246 PolarHBondContact O-N 3.15Å; Q246-A248 PolarHBondContact O-N 3.22Å | ||
| 247 | S | 47 | Very low | 48.7 | Very low | 92 Ų | 92 | 156.2 Ų | 156.2 | 64% | 0.643 | 82% | 0.82 | S | S | * | * | trans | -51.6 | 117.6 | 176.3 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | E249 | S247-E249 VanDerWaalsContact C-N 3.33Å; S247-E249 PolarHBondContact O-N 3.28Å | ||
| 248 | A | 43.1 | Very low | 48.2 | Very low | 108 Ų | 108 | 156.9 Ų | 156.9 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -80.8 | 83.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q246 | Q246-A248 PolarHBondContact O-N 3.22Š| ||
| 249 | E | 50.5 | Low | 47.8 | Very low | 171 Ų | 171 | 155.9 Ų | 155.9 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | trans | -73.3 | 123.1 | 168 | -90.4 | 177.4 | 161.3 | 0 | 0 | 110.2 | S247 | S247-E249 VanDerWaalsContact C-N 3.33Å; S247-E249 PolarHBondContact O-N 3.28Å | ||
| 250 | M | 42.9 | Very low | 47.3 | Very low | 155 Ų | 155 | 159.7 Ų | 159.7 | 76% | 0.764 | 84% | 0.841 | S | S | * | * | trans | -62.6 | 124.8 | 171.2 | 177.3 | -179.4 | 165 | 0 | 0 | 110.5 | ||||
| 251 | N | 43.5 | Very low | 46.8 | Very low | 164 Ų | 164 | 159 Ų | 159 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | trans | -127.8 | 90.2 | 161.4 | -85.1 | -29.9 | 0 | 0 | 0 | 108.4 | ||||
| 252 | E | 45.2 | Very low | 46.4 | Very low | 168 Ų | 168 | 158.5 Ų | 158.5 | 79% | 0.785 | 84% | 0.843 | S | S | * | * | trans | -102.6 | 109.7 | 158 | -74.1 | -172.7 | 169.1 | 0 | 0 | 107.9 | ||||
| 253 | Q | 37.8 | Very low | 45.7 | Very low | 192 Ų | 192 | 163.9 Ų | 163.9 | 90% | 0.897 | 86% | 0.858 | S | S | * | * | trans | -161.4 | 98.6 | 159.6 | -117.8 | 176.9 | 22.3 | 0 | 0 | 109.5 | ||||
| 254 | I | 37.3 | Very low | 44.7 | Very low | 247 Ų | 247 | 166.8 Ų | 166.8 | 100% | 1.267 | 86% | 0.864 | S | S | * | * | trans | -143.5 | 0 | 134.8 | -58.6 | -172.4 | 0 | 0 | 0 | 106.8 |
Retrieved 254 of 254 residues in 1224 ms
(Link to these results)