| 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 | 42.2 | Very low | 49.1 | Very low | 248 Ų | 248 | 118.8 Ų | 118.8 | 100% | 1.222 | 67% | 0.665 | S | S | * | * | 0 | 92.5 | 0 | -147.3 | 114 | 141 | 0 | 0 | 107.1 | |||||
| 2 | A | 39.8 | Very low | 49.6 | Very low | 90 Ų | 90 | 119.5 Ų | 119.5 | 74% | 0.744 | 66% | 0.659 | S | S | * | * | trans | -77.7 | 141.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | K4 | A2-K4 PolarHBondContact O-N 2.99Š| ||
| 3 | P | 44 | Very low | 49.7 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 70% | 0.701 | 65% | 0.647 | S | S | * | * | trans | -73.1 | 120.3 | -173.1 | 29 | -31.1 | 0 | 0 | 0 | 110.2 | G5 | P3-G5 PolarHBondContact O-N 3.29Š| ||
| 4 | K | 48.3 | Very low | 50 | Low | 199 Ų | 199 | 116.5 Ų | 116.5 | 87% | 0.865 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 12.4 | 175.9 | -80.6 | 179.4 | 171 | 177.6 | 0 | 114.8 | A2 | A2-K4 PolarHBondContact O-N 2.99Š|
| 5 | G | 47.5 | Very low | 50.4 | Low | 40 Ų | 40 | 115.8 Ų | 115.8 | 41% | 0.412 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.7 | -28.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P3 Q9 | P3-G5 PolarHBondContact O-N 3.29Å; G5-Q9 PolarHBondContact O-N 3.2Å |
| 6 | S | 48.4 | Very low | 50.8 | Low | 75 Ų | 75 | 115.3 Ų | 115.3 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.5 | -39.7 | -173.3 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | K8 Q10 | S6-K8 VanDerWaalsContact C-N 3.31Å; S6-K8 PolarHBondContact O-N 3.31Å; S6-Q10 WeakPolarHBondContact O-CB 3.3Å; S6-Q10 PolarHBondContact O-N 2.95Å |
| 7 | S | 53.4 | Low | 50.9 | Low | 83 Ų | 83 | 114.9 Ų | 114.9 | 58% | 0.58 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.8 | -28.1 | -176.9 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | S11 | S7-S11 WeakPolarHBondContact O-CB 3.27Å; S7-S11 PolarHBondContact O-N 2.85Å; S7-S11 VanDerWaalsContact O-N 3.12Å |
| 8 | K | 52.8 | Low | 50.7 | Low | 165 Ų | 165 | 116.2 Ų | 116.2 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -80.8 | -42 | -179.5 | -136.3 | -178.5 | -175.2 | -171.7 | 0 | 111.6 | S6 S11 E12 | S6-K8 VanDerWaalsContact C-N 3.31Å; S6-K8 PolarHBondContact O-N 3.31Å; K8-S11 PolarHBondContact O-N 2.77Å; K8-E12 PolarHBondContact O-N 2.66Å |
| 9 | Q | 55.3 | Low | 50.6 | Low | 119 Ų | 119 | 114.9 Ų | 114.9 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.4 | -42.6 | 172 | -110.9 | 171.8 | -57.3 | 0 | 0 | 111.6 | G5 S11 E12 E13 | G5-Q9 PolarHBondContact O-N 3.2Å; Q9-S11 VanDerWaalsContact C-N 3.28Å; Q9-S11 PolarHBondContact O-N 3.3Å; Q9-E12 PolarHBondContact O-N 2.94Å; Q9-E13 WeakPolarHBondContact O-CB 3.08Å; Q9-E13 WeakPolarHBondContact O-CG 3.35Å; Q9-E13 PolarHBondContact O-N 3.12Å |
| 10 | Q | 51.2 | Low | 50.4 | Low | 116 Ų | 116 | 116.9 Ų | 116.9 | 54% | 0.542 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.8 | -34.1 | 177.1 | -163.3 | 166.9 | -4.7 | 0 | 0 | 111.6 | S6 D14 | S6-Q10 WeakPolarHBondContact O-CB 3.3Å; S6-Q10 PolarHBondContact O-N 2.95Å; Q10-D14 WeakPolarHBondContact O-CB 3.49Å; Q10-D14 PolarHBondContact O-N 3.22Å |
| 11 | S | 57.3 | Low | 50.2 | Low | 64 Ų | 64 | 114.1 Ų | 114.1 | 45% | 0.448 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.1 | -33.5 | 174 | -164.4 | 0 | 0 | 0 | 0 | 113.5 | S7 K8 Q9 L15 | S7-S11 WeakPolarHBondContact O-CB 3.27Å; S7-S11 PolarHBondContact O-N 2.85Å; S7-S11 VanDerWaalsContact O-N 3.12Å; K8-S11 PolarHBondContact O-N 2.77Å; Q9-S11 VanDerWaalsContact C-N 3.28Å; Q9-S11 PolarHBondContact O-N 3.3Å; S11-L15 VanDerWaalsContact O-CB 3.29Å; S11-L15 WeakPolarHBondContact O-CB 3.35Å; S11-L15 WeakPolarHBondContact O-CD1 3.42Å; S11-L15 PolarHBondContact O-N 3.35Å |
| 12 | E | 55.3 | Low | 50.5 | Low | 127 Ų | 127 | 110 Ų | 110 | 59% | 0.593 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.3 | -41 | 173 | -80.8 | -178.1 | 140.2 | 0 | 0 | 111.5 | K8 Q9 L15 L16 | K8-E12 PolarHBondContact O-N 2.66Å; Q9-E12 PolarHBondContact O-N 2.94Å; E12-L15 PolarHBondContact O-N 2.99Å; E12-L16 WeakPolarHBondContact O-CB 3.06Å; E12-L16 WeakPolarHBondContact O-CG 3.43Å; E12-L16 PolarHBondContact O-N 2.66Å |
| 13 | E | 51.2 | Low | 51 | Low | 108 Ų | 108 | 112.6 Ų | 112.6 | 51% | 0.505 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.7 | -40 | 173.2 | -72.1 | 177.1 | -165.8 | 0 | 0 | 111 | Q9 L16 L17 | Q9-E13 WeakPolarHBondContact O-CB 3.08Å; Q9-E13 WeakPolarHBondContact O-CG 3.35Å; Q9-E13 PolarHBondContact O-N 3.12Å; E13-L16 PolarHBondContact O-N 3.35Å; E13-L17 WeakPolarHBondContact O-CA 3.46Å; E13-L17 WeakPolarHBondContact O-CB 3.2Å; E13-L17 WeakPolarHBondContact O-CD1 3.29Å; E13-L17 WeakPolarHBondContact O-CG 3.46Å; E13-L17 PolarHBondContact O-N 2.91Å |
| 14 | D | 54 | Low | 51.4 | Low | 89 Ų | 89 | 109.1 Ų | 109.1 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.3 | -34.9 | 173.4 | -75.9 | -27.2 | 0 | 0 | 0 | 111.9 | Q10 L17 Q18 | Q10-D14 WeakPolarHBondContact O-CB 3.49Å; Q10-D14 PolarHBondContact O-N 3.22Å; D14-L17 CarbonylContact O-C 3.45Å; D14-L17 PolarHBondContact O-N 3.4Å; D14-Q18 WeakPolarHBondContact O-CA 3.1Å; D14-Q18 WeakPolarHBondContact O-CB 3.32Å; D14-Q18 PolarHBondContact O-N 3.05Å |
| 15 | L | 55.8 | Low | 51.8 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.7 | -41.2 | 172.6 | -103.9 | 146.3 | 0 | 0 | 0 | 111.8 | S11 E12 Q18 D19 | S11-L15 VanDerWaalsContact O-CB 3.29Å; S11-L15 WeakPolarHBondContact O-CB 3.35Å; S11-L15 WeakPolarHBondContact O-CD1 3.42Å; S11-L15 PolarHBondContact O-N 3.35Å; E12-L15 PolarHBondContact O-N 2.99Å; L15-Q18 PolarHBondContact O-N 3.47Å; L15-D19 WeakPolarHBondContact O-CB 3.11Å; L15-D19 PolarHBondContact O-N 3.48Å |
| 16 | L | 55.9 | Low | 52.3 | Low | 108 Ų | 108 | 105.4 Ų | 105.4 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.2 | -41.5 | 174 | -70 | 169.6 | 0 | 0 | 0 | 110.6 | E12 E13 Q18 D19 F20 | E12-L16 WeakPolarHBondContact O-CB 3.06Å; E12-L16 WeakPolarHBondContact O-CG 3.43Å; E12-L16 PolarHBondContact O-N 2.66Å; E13-L16 PolarHBondContact O-N 3.35Å; L16-Q18 VanDerWaalsContact C-N 3.29Å; L16-Q18 PolarHBondContact O-N 3.26Å; L16-D19 CarbonylContact O-C 3.59Å; L16-D19 PolarHBondContact O-N 3.16Å; L16-F20 WeakPolarHBondContact O-CB 3.49Å; L16-F20 VanDerWaalsContact O-CD2 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.48Å; L16-F20 PolarHBondContact O-N 3.49Å |
| 17 | L | 52.6 | Low | 52.9 | Low | 109 Ų | 109 | 109.9 Ų | 109.9 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.7 | -26.7 | 174.3 | -73.6 | 167.3 | 0 | 0 | 0 | 112 | E13 D14 F20 S21 | E13-L17 WeakPolarHBondContact O-CA 3.46Å; E13-L17 WeakPolarHBondContact O-CB 3.2Å; E13-L17 WeakPolarHBondContact O-CD1 3.29Å; E13-L17 WeakPolarHBondContact O-CG 3.46Å; E13-L17 PolarHBondContact O-N 2.91Å; D14-L17 CarbonylContact O-C 3.45Å; D14-L17 PolarHBondContact O-N 3.4Å; L17-F20 CarbonylContact O-C 3.56Å; L17-S21 WeakPolarHBondContact O-CA 3.16Å; L17-S21 VanDerWaalsContact O-CB 3.22Å; L17-S21 WeakPolarHBondContact O-CB 3.04Å; L17-S21 PolarHBondContact O-N 3.01Å |
| 18 | Q | 48 | Very low | 53.4 | Low | 137 Ų | 137 | 106.4 Ų | 106.4 | 64% | 0.64 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -76.9 | -33.3 | 173.1 | -172.1 | 172.7 | 26.6 | 0 | 0 | 111.3 | D14 L15 L16 F20 S21 | D14-Q18 WeakPolarHBondContact O-CA 3.1Å; D14-Q18 WeakPolarHBondContact O-CB 3.32Å; D14-Q18 PolarHBondContact O-N 3.05Å; L15-Q18 PolarHBondContact O-N 3.47Å; L16-Q18 VanDerWaalsContact C-N 3.29Å; L16-Q18 PolarHBondContact O-N 3.26Å; Q18-F20 VanDerWaalsContact C-N 3.32Å; Q18-S21 WeakPolarHBondContact O-CB 3.46Å; Q18-S21 PolarHBondContact O-N 3.36Å |
| 19 | D | 49.4 | Very low | 54 | Low | 93 Ų | 93 | 100.1 Ų | 100.1 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.1 | -23.1 | 170.5 | -147.2 | 24.9 | 0 | 0 | 0 | 112.3 | L15 L16 K85 | L15-D19 WeakPolarHBondContact O-CB 3.11Å; L15-D19 PolarHBondContact O-N 3.48Å; L16-D19 CarbonylContact O-C 3.59Å; L16-D19 PolarHBondContact O-N 3.16Å; D19-K85 PolarHBondContact O-NZ 2.81Å |
| 20 | F | 46.5 | Very low | 54.9 | Low | 153 Ų | 153 | 97.5 Ų | 97.5 | 67% | 0.671 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -87.9 | -13.7 | 165.9 | -89.4 | -81.1 | 0 | 0 | 0 | 113.8 | L16 L17 Q18 R22 | L16-F20 WeakPolarHBondContact O-CB 3.49Å; L16-F20 VanDerWaalsContact O-CD2 3.29Å; L16-F20 WeakPolarHBondContact O-CD2 3.48Å; L16-F20 PolarHBondContact O-N 3.49Å; L17-F20 CarbonylContact O-C 3.56Å; Q18-F20 VanDerWaalsContact C-N 3.32Å; F20-R22 PolarHBondContact O-N 3.13Å |
| 21 | S | 44.9 | Very low | 56 | Low | 60 Ų | 60 | 96.6 Ų | 96.6 | 42% | 0.42 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -71.5 | 135.2 | 179.5 | -176 | 0 | 0 | 0 | 0 | 108.1 | L17 Q18 N23 | L17-S21 WeakPolarHBondContact O-CA 3.16Å; L17-S21 VanDerWaalsContact O-CB 3.22Å; L17-S21 WeakPolarHBondContact O-CB 3.04Å; L17-S21 PolarHBondContact O-N 3.01Å; Q18-S21 WeakPolarHBondContact O-CB 3.46Å; Q18-S21 PolarHBondContact O-N 3.36Å; S21-N23 PolarHBondContact O-N 3.07Å |
| 22 | R | 49.4 | Very low | 56.9 | Low | 162 Ų | 162 | 93.5 Ų | 93.5 | 61% | 0.611 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -59.9 | 6.9 | -169.9 | -163.1 | 166.6 | 162.2 | -167.8 | -3.2 | 114.9 | F20 L24 F82 | F20-R22 PolarHBondContact O-N 3.13Å; R22-L24 PolarHBondContact O-N 2.85Å; R22-F82 HydrophobicContact CB-CE2 4.48Å; R22-F82 HydrophobicContact CG-CD2 4.05Å; R22-F82 HydrophobicContact CG-CE2 4.25Å |
| 23 | N | 49.2 | Very low | 57.8 | Low | 143 Ų | 143 | 91.1 Ų | 91.1 | 77% | 0.765 | 48% | 0.478 | S | S | * | . | trans | -85.9 | 91.7 | 173.9 | -81.5 | -20.1 | 0 | 0 | 0 | 110.2 | S21 S25 | S21-N23 PolarHBondContact O-N 3.07Å; N23-S25 PolarHBondContact O-N 2.8Å | ||
| 24 | L | 52.2 | Low | 59.3 | Low | 35 Ų | 35 | 87.5 Ų | 87.5 | 18% | 0.183 | 47% | 0.47 | C | S | . | . | trans | -48.6 | 133.1 | 164.2 | -64.3 | 162.4 | 0 | 0 | 0 | 110.2 | R22 A26 F32 K78 K81 | R22-L24 PolarHBondContact O-N 2.85Å; L24-A26 PolarHBondContact O-N 3.28Å; L24-F32 HydrophobicContact CD1-CD2 3.74Å; L24-F32 HydrophobicContact CD1-CE2 3.51Å; L24-F32 HydrophobicContact CD2-CE2 4.02Å; L24-F32 HydrophobicContact CG-CE2 4.31Å; L24-K78 HydrophobicContact CD1-CB 4.01Å; L24-K78 HydrophobicContact CD1-CD 3.94Å; L24-K78 HydrophobicContact CD1-CG 3.48Å; L24-K78 VanDerWaalsContact CD1-CG 3.48Å; L24-K81 HydrophobicContact CD2-CD 3.37Å; L24-K81 HydrophobicContact CD2-CG 4.06Å | ||
| 25 | S | 56.6 | Low | 60.7 | Low | 79 Ų | 79 | 85.9 Ų | 85.9 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | trans | -42.3 | 134.6 | 169.3 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | N23 K27 S28 T29 | N23-S25 PolarHBondContact O-N 2.8Å; S25-K27 CarbonylContact O-C 3.38Å; S25-K27 PolarHBondContact O-N 2.73Å; S25-S28 WeakPolarHBondContact O-CA 3.33Å; S25-S28 WeakPolarHBondContact O-CB 3.38Å; S25-S28 PolarHBondContact O-N 3.5Å; S25-T29 PolarHBondContact O-N 2.96Å; S25-T29 VanDerWaalsContact O-N 3.07Å | ||
| 26 | A | 58.5 | Low | 61.9 | Low | 83 Ų | 83 | 80.9 Ų | 80.9 | 69% | 0.686 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -50.9 | -31.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L24 T29 A30 | L24-A26 PolarHBondContact O-N 3.28Å; A26-T29 PolarHBondContact O-N 2.81Å; A26-A30 WeakPolarHBondContact O-CB 3.35Å; A26-A30 PolarHBondContact O-N 3.21Å |
| 27 | K | 62.3 | Low | 63.3 | Low | 168 Ų | 168 | 79.6 Ų | 79.6 | 73% | 0.73 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.7 | -47.2 | 172.1 | -64.5 | -174.9 | 179.6 | -177.3 | 0 | 112.9 | S25 T29 A30 L31 | S25-K27 CarbonylContact O-C 3.38Å; S25-K27 PolarHBondContact O-N 2.73Å; K27-T29 VanDerWaalsContact C-N 3.35Å; K27-A30 PolarHBondContact O-N 3.39Å; K27-L31 WeakPolarHBondContact O-CB 3.48Å; K27-L31 VanDerWaalsContact O-CG 3.29Å; K27-L31 WeakPolarHBondContact O-CG 3.19Å; K27-L31 PolarHBondContact O-N 2.95Å |
| 28 | S | 62.4 | Low | 65 | Low | 11 Ų | 11 | 79.9 Ų | 79.9 | 8% | 0.077 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 177 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | S25 L31 F32 K81 | S25-S28 WeakPolarHBondContact O-CA 3.33Å; S25-S28 WeakPolarHBondContact O-CB 3.38Å; S25-S28 PolarHBondContact O-N 3.5Å; S28-L31 PolarHBondContact O-N 3.31Å; S28-F32 WeakPolarHBondContact O-CB 3.36Å; S28-F32 WeakPolarHBondContact O-CD2 3.41Å; S28-F32 WeakPolarHBondContact O-CG 3.47Å; S28-F32 PolarHBondContact O-N 2.82Å; S28-F32 WeakPolarHBondContact OG-CE2 3.34Å; S28-F32 WeakPolarHBondContact OG-CZ 3.33Å; S28-K81 PolarHBondContact OG-NZ 3.36Å; S28-K81 VanDerWaalsContact OG-NZ 3.12Å |
| 29 | T | 66.1 | Low | 66.8 | Low | 32 Ų | 32 | 73.5 Ų | 73.5 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 175.8 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | S25 A26 K27 L31 F32 Y33 | S25-T29 PolarHBondContact O-N 2.96Å; S25-T29 VanDerWaalsContact O-N 3.07Å; A26-T29 PolarHBondContact O-N 2.81Å; K27-T29 VanDerWaalsContact C-N 3.35Å; T29-L31 VanDerWaalsContact C-N 3.35Å; T29-L31 PolarHBondContact O-N 3.39Å; T29-F32 WeakPolarHBondContact O-CB 3.26Å; T29-F32 PolarHBondContact O-N 2.97Å; T29-Y33 HydrophobicContact CG2-CD2 3.76Å; T29-Y33 HydrophobicContact CG2-CE2 3.81Å; T29-Y33 WeakPolarHBondContact O-CD2 3.41Å; T29-Y33 PolarHBondContact O-N 2.81Å |
| 30 | A | 73.6 | Confident | 68.5 | Low | 65 Ų | 65 | 69.1 Ų | 69.1 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A26 K27 F32 Y33 G34 | A26-A30 WeakPolarHBondContact O-CB 3.35Å; A26-A30 PolarHBondContact O-N 3.21Å; K27-A30 PolarHBondContact O-N 3.39Å; A30-F32 VanDerWaalsContact C-N 3.29Å; A30-F32 PolarHBondContact O-N 2.98Å; A30-Y33 PolarHBondContact O-N 2.9Å; A30-G34 PolarHBondContact O-N 3.39Å |
| 31 | L | 75 | Confident | 70.4 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.6 | -38 | 174.2 | -74.5 | 171.8 | 0 | 0 | 0 | 112.2 | K27 S28 T29 N35 | K27-L31 WeakPolarHBondContact O-CB 3.48Å; K27-L31 VanDerWaalsContact O-CG 3.29Å; K27-L31 WeakPolarHBondContact O-CG 3.19Å; K27-L31 PolarHBondContact O-N 2.95Å; S28-L31 PolarHBondContact O-N 3.31Å; T29-L31 VanDerWaalsContact C-N 3.35Å; T29-L31 PolarHBondContact O-N 3.39Å; L31-N35 WeakPolarHBondContact O-CB 3.41Å; L31-N35 PolarHBondContact O-N 3.26Å; L31-N35 PolarHBondContact O-ND2 3.23Å |
| 32 | F | 75.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.6 | -49.2 | 176.6 | -71.1 | -27.3 | 0 | 0 | 0 | 113.2 | L24 S28 T29 A30 G34 N35 A36 Y77 K81 T134 I138 | L24-F32 HydrophobicContact CD1-CD2 3.74Å; L24-F32 HydrophobicContact CD1-CE2 3.51Å; L24-F32 HydrophobicContact CD2-CE2 4.02Å; L24-F32 HydrophobicContact CG-CE2 4.31Å; S28-F32 WeakPolarHBondContact O-CB 3.36Å; S28-F32 WeakPolarHBondContact O-CD2 3.41Å; S28-F32 WeakPolarHBondContact O-CG 3.47Å; S28-F32 PolarHBondContact O-N 2.82Å; S28-F32 WeakPolarHBondContact OG-CE2 3.34Å; S28-F32 WeakPolarHBondContact OG-CZ 3.33Å; T29-F32 WeakPolarHBondContact O-CB 3.26Å; T29-F32 PolarHBondContact O-N 2.97Å; A30-F32 VanDerWaalsContact C-N 3.29Å; A30-F32 PolarHBondContact O-N 2.98Å; F32-G34 VanDerWaalsContact C-N 3.34Å; F32-G34 PolarHBondContact O-N 2.85Å; F32-N35 PolarHBondContact O-N 3.5Å; F32-A36 WeakPolarHBondContact O-CB 3.12Å; F32-A36 PolarHBondContact O-N 3.23Å; F32-Y77 HydrophobicContact CB-CD2 3.83Å; F32-Y77 AromaticContact CD1-CD2 3.9Å; F32-Y77 HydrophobicContact CD1-CD2 3.9Å; F32-Y77 HydrophobicContact CD1-CG 4.38Å; F32-Y77 HydrophobicContact CG-CD2 4.07Å; F32-Y77 WeakPolarHBondContact O-CE2 3.15Å; F32-K81 HydrophobicContact CE2-CD 3.83Å; F32-K81 HydrophobicContact CZ-CD 3.54Å; F32-T134 HydrophobicContact CD1-CG2 4.42Å; F32-T134 HydrophobicContact CE1-CG2 3.47Å; F32-T134 VanDerWaalsContact CE1-CG2 3.47Å; F32-T134 HydrophobicContact CZ-CG2 3.78Å; F32-I138 HydrophobicContact CD1-CD1 3.92Å; F32-I138 HydrophobicContact CD1-CG1 3.77Å; F32-I138 HydrophobicContact CE1-CD1 3.93Å; F32-I138 HydrophobicContact CE1-CG1 3.77Å |
| 33 | Y | 75.9 | Confident | 74.1 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 30% | 0.302 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -38 | 177.7 | -83.4 | -84 | 0 | 0 | 0 | 112.1 | T29 A30 A36 L37 T70 A74 | T29-Y33 HydrophobicContact CG2-CD2 3.76Å; T29-Y33 HydrophobicContact CG2-CE2 3.81Å; T29-Y33 WeakPolarHBondContact O-CD2 3.41Å; T29-Y33 PolarHBondContact O-N 2.81Å; A30-Y33 PolarHBondContact O-N 2.9Å; Y33-A36 PolarHBondContact O-N 2.7Å; Y33-L37 WeakPolarHBondContact O-CB 3.22Å; Y33-L37 WeakPolarHBondContact O-CG 3.38Å; Y33-L37 PolarHBondContact O-N 2.71Å; Y33-T70 HydrophobicContact CD1-CG2 4.2Å; Y33-A74 HydrophobicContact CD1-CB 3.84Å; Y33-A74 HydrophobicContact CD2-CB 4.36Å; Y33-A74 HydrophobicContact CE1-CB 3.67Å; Y33-A74 HydrophobicContact CE2-CB 4.22Å; Y33-A74 HydrophobicContact CG-CB 4.18Å |
| 34 | G | 81.7 | Confident | 75.9 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A30 F32 L37 I38 | A30-G34 PolarHBondContact O-N 3.39Å; F32-G34 VanDerWaalsContact C-N 3.34Å; F32-G34 PolarHBondContact O-N 2.85Å; G34-L37 PolarHBondContact O-N 3.46Å; G34-I38 WeakPolarHBondContact O-CG1 3.06Å; G34-I38 PolarHBondContact O-N 3.07Å |
| 35 | N | 83.6 | Confident | 77.6 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 29% | 0.294 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 176.9 | -80.2 | -82.7 | 0 | 0 | 0 | 112.6 | L31 F32 L37 I38 V39 Y77 I138 | L31-N35 WeakPolarHBondContact O-CB 3.41Å; L31-N35 PolarHBondContact O-N 3.26Å; L31-N35 PolarHBondContact O-ND2 3.23Å; F32-N35 PolarHBondContact O-N 3.5Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.34Å; N35-I38 PolarHBondContact O-N 2.77Å; N35-V39 PolarHBondContact O-N 3.26Å; N35-Y77 HydrophobicContact CB-CE2 4.38Å; N35-I138 HydrophobicContact CB-CG2 4.05Å |
| 36 | A | 81.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | F32 Y33 V39 S40 T70 V73 A74 Y77 | F32-A36 WeakPolarHBondContact O-CB 3.12Å; F32-A36 PolarHBondContact O-N 3.23Å; Y33-A36 PolarHBondContact O-N 2.7Å; A36-V39 WeakPolarHBondContact O-CG1 3.49Å; A36-S40 VanDerWaalsContact O-CB 3.24Å; A36-S40 WeakPolarHBondContact O-CB 3.42Å; A36-S40 PolarHBondContact O-N 3.39Å; A36-S40 PolarHBondContact O-OG 3.42Å; A36-T70 HydrophobicContact CB-CG2 3.97Å; A36-V73 HydrophobicContact CB-CB 4.36Å; A36-V73 HydrophobicContact CB-CG1 4.06Å; A36-A74 HydrophobicContact CB-CB 4.02Å; A36-Y77 HydrophobicContact CB-CD2 4.41Å; A36-Y77 HydrophobicContact CB-CE2 3.7Å |
| 37 | L | 85.8 | Confident | 80.1 | Confident | 81 Ų | 81 | 50.8 Ų | 50.8 | 42% | 0.424 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 173.8 | -79.6 | 168.4 | 0 | 0 | 0 | 111.5 | Y33 G34 N35 S40 A41 T70 | Y33-L37 WeakPolarHBondContact O-CB 3.22Å; Y33-L37 WeakPolarHBondContact O-CG 3.38Å; Y33-L37 PolarHBondContact O-N 2.71Å; G34-L37 PolarHBondContact O-N 3.46Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.34Å; L37-S40 PolarHBondContact O-N 2.83Å; L37-S40 PolarHBondContact O-OG 2.98Å; L37-S40 VanDerWaalsContact O-OG 3.06Å; L37-A41 WeakPolarHBondContact O-CB 3.29Å; L37-A41 PolarHBondContact O-N 3.43Å; L37-A41 VanDerWaalsContact O-N 3.11Å; L37-T70 HydrophobicContact CB-CG2 4.49Å; L37-T70 HydrophobicContact CD2-CG2 3.66Å; L37-T70 WeakPolarHBondContact CD2-OG1 3.29Å; L37-T70 HydrophobicContact CG-CG2 3.62Å |
| 38 | I | 86.6 | Confident | 81.2 | Confident | 115 Ų | 115 | 47.8 Ų | 47.8 | 59% | 0.59 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.1 | -48.4 | -179.9 | -65.3 | 166.5 | 0 | 0 | 0 | 110.1 | G34 N35 S40 A41 I42 | G34-I38 WeakPolarHBondContact O-CG1 3.06Å; G34-I38 PolarHBondContact O-N 3.07Å; N35-I38 PolarHBondContact O-N 2.77Å; I38-S40 PolarHBondContact O-N 2.93Å; I38-A41 PolarHBondContact O-N 3.01Å; I38-I42 PolarHBondContact O-N 3.41Å |
| 39 | V | 86.1 | Confident | 82.3 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.1 | -35.4 | -177.5 | 77 | 0 | 0 | 0 | 0 | 112.5 | N35 A36 A41 I42 P43 V73 Y77 N142 F145 L146 | N35-V39 PolarHBondContact O-N 3.26Å; A36-V39 WeakPolarHBondContact O-CG1 3.49Å; V39-A41 VanDerWaalsContact C-N 3.28Å; V39-A41 PolarHBondContact O-N 2.89Å; V39-I42 HydrophobicContact CG2-CD1 4.24Å; V39-I42 WeakPolarHBondContact O-CB 3.45Å; V39-I42 PolarHBondContact O-N 2.96Å; V39-P43 VanDerWaalsContact O-CD 3.27Å; V39-P43 WeakPolarHBondContact O-CD 3.4Å; V39-V73 HydrophobicContact CG1-CG1 4.04Å; V39-Y77 WeakPolarHBondContact CG1-OH 3.43Å; V39-N142 WeakPolarHBondContact CG1-OD1 3.38Å; V39-N142 HydrophobicContact CG2-CB 4.03Å; V39-F145 HydrophobicContact CG2-CD1 4.05Å; V39-L146 HydrophobicContact CG2-CD1 4.22Å; V39-L146 HydrophobicContact CG2-CD2 4.18Å; V39-L146 HydrophobicContact CG2-CG 4.07Å |
| 40 | S | 85.3 | Confident | 83.2 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.5 | -14.5 | 178.9 | 61 | 0 | 0 | 0 | 0 | 113.5 | A36 L37 I38 P43 T66 T70 | A36-S40 VanDerWaalsContact O-CB 3.24Å; A36-S40 WeakPolarHBondContact O-CB 3.42Å; A36-S40 PolarHBondContact O-N 3.39Å; A36-S40 PolarHBondContact O-OG 3.42Å; L37-S40 PolarHBondContact O-N 2.83Å; L37-S40 PolarHBondContact O-OG 2.98Å; L37-S40 VanDerWaalsContact O-OG 3.06Å; I38-S40 PolarHBondContact O-N 2.93Å; S40-P43 WeakPolarHBondContact O-CD 3.43Å; S40-T66 WeakPolarHBondContact OG-CG2 3.37Å; S40-T70 PolarHBondContact OG-OG1 3.35Å |
| 41 | A | 86.3 | Confident | 83.6 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 35% | 0.347 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -81.6 | -25.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L37 I38 V39 I44 | L37-A41 WeakPolarHBondContact O-CB 3.29Å; L37-A41 PolarHBondContact O-N 3.43Å; L37-A41 VanDerWaalsContact O-N 3.11Å; I38-A41 PolarHBondContact O-N 3.01Å; V39-A41 VanDerWaalsContact C-N 3.28Å; V39-A41 PolarHBondContact O-N 2.89Å; A41-I44 HydrophobicContact CB-CD1 4.32Å; A41-I44 VanDerWaalsContact O-CB 3.27Å; A41-I44 WeakPolarHBondContact O-CB 3.37Å; A41-I44 WeakPolarHBondContact O-CG1 3.35Å; A41-I44 PolarHBondContact O-N 3.35Å |
| 42 | I | 87.8 | Confident | 83.9 | Confident | 72 Ų | 72 | 59 Ų | 59 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.7 | -44.3 | -179.7 | -63.2 | 170.5 | 0 | 0 | 0 | 112.4 | I38 V39 I44 W45 L46 L146 | I38-I42 PolarHBondContact O-N 3.41Å; V39-I42 HydrophobicContact CG2-CD1 4.24Å; V39-I42 WeakPolarHBondContact O-CB 3.45Å; V39-I42 PolarHBondContact O-N 2.96Å; I42-I44 VanDerWaalsContact C-N 3.26Å; I42-I44 PolarHBondContact O-N 2.92Å; I42-W45 WeakPolarHBondContact O-CB 3.24Å; I42-W45 PolarHBondContact O-N 3.45Å; I42-W45 VanDerWaalsContact O-N 3.15Å; I42-L46 PolarHBondContact O-N 2.91Å; I42-L146 HydrophobicContact CB-CD2 4.16Å; I42-L146 HydrophobicContact CD1-CD1 4.25Å; I42-L146 HydrophobicContact CD1-CD2 4.31Å; I42-L146 HydrophobicContact CG2-CD2 3.95Å |
| 43 | P | 85.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.2 | -28.5 | 177.5 | -25.4 | 35.5 | 0 | 0 | 0 | 114.5 | V39 S40 W45 L46 F47 F145 V149 Y166 I170 | V39-P43 VanDerWaalsContact O-CD 3.27Å; V39-P43 WeakPolarHBondContact O-CD 3.4Å; S40-P43 WeakPolarHBondContact O-CD 3.43Å; P43-W45 PolarHBondContact O-N 2.98Å; P43-L46 WeakPolarHBondContact O-CB 3.46Å; P43-L46 PolarHBondContact O-N 3.48Å; P43-L46 VanDerWaalsContact O-N 3.12Å; P43-F47 VanDerWaalsContact O-CD2 3.3Å; P43-F47 WeakPolarHBondContact O-CD2 3.24Å; P43-F47 PolarHBondContact O-N 2.84Å; P43-F145 HydrophobicContact CG-CE1 3.86Å; P43-F145 HydrophobicContact CG-CZ 4.18Å; P43-V149 HydrophobicContact CB-CG1 4.17Å; P43-V149 HydrophobicContact CG-CG1 4.15Å; P43-Y166 HydrophobicContact CB-CE2 4.45Å; P43-I170 HydrophobicContact CB-CD1 3.42Å; P43-I170 VanDerWaalsContact CB-CD1 3.42Å; P43-I170 HydrophobicContact CG-CD1 3.62Å |
| 44 | I | 87.3 | Confident | 84.6 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 19% | 0.185 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.5 | -44.2 | 175.9 | -54.9 | 172.7 | 0 | 0 | 0 | 109.4 | A41 I42 L46 F47 W48 L55 Y62 T66 | A41-I44 HydrophobicContact CB-CD1 4.32Å; A41-I44 VanDerWaalsContact O-CB 3.27Å; A41-I44 WeakPolarHBondContact O-CB 3.37Å; A41-I44 WeakPolarHBondContact O-CG1 3.35Å; A41-I44 PolarHBondContact O-N 3.35Å; I42-I44 VanDerWaalsContact C-N 3.26Å; I42-I44 PolarHBondContact O-N 2.92Å; I44-L46 PolarHBondContact O-N 2.71Å; I44-F47 PolarHBondContact O-N 3.39Å; I44-W48 WeakPolarHBondContact O-CB 3.25Å; I44-W48 PolarHBondContact O-N 2.89Å; I44-L55 HydrophobicContact CG2-CD2 4.2Å; I44-Y62 HydrophobicContact CG1-CD1 4.27Å; I44-Y62 HydrophobicContact CG2-CD1 4.03Å; I44-Y62 HydrophobicContact CG2-CD2 4.23Å; I44-Y62 HydrophobicContact CG2-CE1 4.26Å; I44-Y62 HydrophobicContact CG2-CE2 4.44Å; I44-Y62 HydrophobicContact CG2-CG 4.01Å; I44-T66 WeakPolarHBondContact CD1-OG1 3.12Å |
| 45 | W | 86.3 | Confident | 84.4 | Confident | 150 Ų | 150 | 61.1 Ų | 61.1 | 57% | 0.568 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.8 | -41.9 | 178.3 | -174.7 | 87.8 | 0 | 0 | 0 | 112.2 | I42 P43 F47 W48 R49 | I42-W45 WeakPolarHBondContact O-CB 3.24Å; I42-W45 PolarHBondContact O-N 3.45Å; I42-W45 VanDerWaalsContact O-N 3.15Å; P43-W45 PolarHBondContact O-N 2.98Å; W45-F47 PolarHBondContact O-N 2.73Å; W45-W48 PolarHBondContact O-N 3.29Å; W45-R49 HydrophobicContact CD2-CG 4.01Å; W45-R49 HydrophobicContact CG-CG 4.39Å; W45-R49 HydrophobicContact CH2-CG 4.46Å; W45-R49 HydrophobicContact CZ2-CG 3.91Å; W45-R49 WeakPolarHBondContact O-CB 3.41Å; W45-R49 WeakPolarHBondContact O-CG 3.19Å; W45-R49 PolarHBondContact O-N 3.48Å |
| 46 | L | 85 | Confident | 84.2 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 176.6 | -72.8 | 170.7 | 0 | 0 | 0 | 111.8 | I42 P43 I44 R49 I50 I150 | I42-L46 PolarHBondContact O-N 2.91Å; P43-L46 WeakPolarHBondContact O-CB 3.46Å; P43-L46 PolarHBondContact O-N 3.48Å; P43-L46 VanDerWaalsContact O-N 3.12Å; I44-L46 PolarHBondContact O-N 2.71Å; L46-R49 PolarHBondContact O-N 3.39Å; L46-I50 HydrophobicContact CD2-CD1 3.86Å; L46-I50 VanDerWaalsContact O-CB 3.27Å; L46-I50 WeakPolarHBondContact O-CB 2.89Å; L46-I50 PolarHBondContact O-N 3.18Å; L46-I150 HydrophobicContact CD1-CG1 4.49Å |
| 47 | F | 84.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.7 | -30.7 | -177.9 | -81.3 | -96.5 | 0 | 0 | 0 | 113.3 | P43 I44 W45 W51 H52 M53 S153 N165 Y166 | P43-F47 VanDerWaalsContact O-CD2 3.3Å; P43-F47 WeakPolarHBondContact O-CD2 3.24Å; P43-F47 PolarHBondContact O-N 2.84Å; I44-F47 PolarHBondContact O-N 3.39Å; W45-F47 PolarHBondContact O-N 2.73Å; F47-W51 HydrophobicContact CD1-CB 4.18Å; F47-W51 AromaticContact CD1-CD1 3.57Å; F47-W51 AromaticContact CD1-CG 3.94Å; F47-W51 HydrophobicContact CD1-CG 3.94Å; F47-W51 AromaticContact CE1-CD1 3.83Å; F47-W51 HydrophobicContact CE1-CG 4.33Å; F47-W51 CarbonylContact O-C 3.58Å; F47-W51 WeakPolarHBondContact O-CB 3.21Å; F47-W51 PolarHBondContact O-N 2.96Å; F47-H52 PolarHBondContact O-N 3.48Å; F47-M53 PolarHBondContact O-N 3.43Å; F47-S153 WeakPolarHBondContact CZ-OG 3.37Å; F47-N165 HydrophobicContact CE1-CB 4.15Å; F47-N165 WeakPolarHBondContact CE1-OD1 3.3Å; F47-N165 WeakPolarHBondContact CZ-OD1 3.35Å; F47-Y166 HydrophobicContact CB-CD2 4.11Å; F47-Y166 AromaticContact CD1-CD2 3.96Å; F47-Y166 HydrophobicContact CD1-CD2 3.96Å; F47-Y166 HydrophobicContact CD1-CG 4.29Å; F47-Y166 AromaticContact CD2-CD2 3.47Å; F47-Y166 HydrophobicContact CD2-CD2 3.47Å; F47-Y166 VanDerWaalsContact CD2-CD2 3.47Å; F47-Y166 HydrophobicContact CD2-CE2 4.12Å; F47-Y166 VanDerWaalsContact CE1-CA 3.42Å; F47-Y166 HydrophobicContact CE1-CD2 4.18Å; F47-Y166 HydrophobicContact CE1-CG 4.42Å; F47-Y166 AromaticContact CE2-CD2 3.71Å; F47-Y166 HydrophobicContact CE2-CD2 3.71Å; F47-Y166 HydrophobicContact CE2-CE2 4.49Å; F47-Y166 AromaticContact CG-CD2 3.56Å; F47-Y166 HydrophobicContact CG-CD2 3.56Å; F47-Y166 HydrophobicContact CG-CE2 4.42Å; F47-Y166 HydrophobicContact CG-CG 4.31Å; F47-Y166 HydrophobicContact CZ-CD2 4.04Å |
| 48 | W | 84.9 | Confident | 84.2 | Confident | 105 Ų | 105 | 69.5 Ų | 69.5 | 40% | 0.398 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67 | -46 | 170.9 | 177.1 | 44.8 | 0 | 0 | 0 | 112.1 | I44 W45 H52 L55 | I44-W48 WeakPolarHBondContact O-CB 3.25Å; I44-W48 PolarHBondContact O-N 2.89Å; W45-W48 PolarHBondContact O-N 3.29Å; W48-H52 WeakPolarHBondContact O-CA 3.44Å; W48-H52 PolarHBondContact O-N 3.48Å; W48-L55 HydrophobicContact CB-CG 4.35Å; W48-L55 HydrophobicContact CD2-CD1 3.41Å; W48-L55 VanDerWaalsContact CD2-CD1 3.41Å; W48-L55 HydrophobicContact CD2-CG 4.1Å; W48-L55 HydrophobicContact CE3-CD1 4.01Å; W48-L55 HydrophobicContact CG-CD1 3.67Å; W48-L55 HydrophobicContact CG-CD2 4.46Å; W48-L55 HydrophobicContact CG-CG 3.8Å; W48-L55 HydrophobicContact CH2-CD1 4.22Å; W48-L55 HydrophobicContact CZ2-CD1 3.69Å; W48-L55 HydrophobicContact CZ3-CD1 4.37Å |
| 49 | R | 85.8 | Confident | 84 | Confident | 141 Ų | 141 | 66.4 Ų | 66.4 | 53% | 0.532 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -80.7 | -33.8 | -173 | -68.2 | -59.8 | -61.5 | -155.8 | -3.5 | 114.5 | W45 L46 | W45-R49 HydrophobicContact CD2-CG 4.01Å; W45-R49 HydrophobicContact CG-CG 4.39Å; W45-R49 HydrophobicContact CH2-CG 4.46Å; W45-R49 HydrophobicContact CZ2-CG 3.91Å; W45-R49 WeakPolarHBondContact O-CB 3.41Å; W45-R49 WeakPolarHBondContact O-CG 3.19Å; W45-R49 PolarHBondContact O-N 3.48Å; L46-R49 PolarHBondContact O-N 3.39Å |
| 50 | I | 84.1 | Confident | 84.1 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -43.2 | -170.1 | -62.2 | 170.6 | 0 | 0 | 0 | 110.9 | L46 H52 F154 | L46-I50 HydrophobicContact CD2-CD1 3.86Å; L46-I50 VanDerWaalsContact O-CB 3.27Å; L46-I50 WeakPolarHBondContact O-CB 2.89Å; L46-I50 PolarHBondContact O-N 3.18Å; I50-H52 VanDerWaalsContact C-N 3.35Å; I50-F154 HydrophobicContact CB-CZ 4.46Å; I50-F154 HydrophobicContact CD1-CE1 3.98Å; I50-F154 HydrophobicContact CD1-CZ 3.49Å; I50-F154 VanDerWaalsContact CD1-CZ 3.49Å; I50-F154 HydrophobicContact CG2-CE1 3.73Å; I50-F154 HydrophobicContact CG2-CZ 4Å |
| 51 | W | 82.3 | Confident | 84.2 | Confident | 56 Ų | 56 | 73.9 Ų | 73.9 | 21% | 0.212 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -91.7 | 1 | 179.4 | -67.8 | 96.7 | 0 | 0 | 0 | 113.2 | F47 M53 S153 K158 P162 N165 | F47-W51 HydrophobicContact CD1-CB 4.18Å; F47-W51 AromaticContact CD1-CD1 3.57Å; F47-W51 AromaticContact CD1-CG 3.94Å; F47-W51 HydrophobicContact CD1-CG 3.94Å; F47-W51 AromaticContact CE1-CD1 3.83Å; F47-W51 HydrophobicContact CE1-CG 4.33Å; F47-W51 CarbonylContact O-C 3.58Å; F47-W51 WeakPolarHBondContact O-CB 3.21Å; F47-W51 PolarHBondContact O-N 2.96Å; W51-M53 PolarHBondContact O-N 2.97Å; W51-M53 VanDerWaalsContact O-N 3.08Å; W51-S153 WeakPolarHBondContact CZ2-O 3.22Å; W51-S153 PolarHBondContact NE1-OG 2.81Å; W51-K158 HydrophobicContact CH2-CB 4.41Å; W51-K158 WeakPolarHBondContact CH2-O 3.28Å; W51-P162 HydrophobicContact CB-CB 4.17Å; W51-P162 HydrophobicContact CE3-CB 4.43Å; W51-P162 HydrophobicContact CE3-CG 4.08Å; W51-N165 WeakPolarHBondContact CZ2-ND2 3.04Å |
| 52 | H | 81.8 | Confident | 84.2 | Confident | 164 Ų | 164 | 72.3 Ų | 72.3 | 76% | 0.759 | 36% | 0.355 | S | S | * | . | trans | 50.4 | 32.2 | 178.3 | -64.8 | -73.2 | 0 | 0 | 0 | 114.2 | F47 W48 I50 | F47-H52 PolarHBondContact O-N 3.48Å; W48-H52 WeakPolarHBondContact O-CA 3.44Å; W48-H52 PolarHBondContact O-N 3.48Å; I50-H52 VanDerWaalsContact C-N 3.35Å | ||
| 53 | M | 80.3 | Confident | 84.1 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 5% | 0.054 | 35% | 0.354 | C | S | . | . | trans | -70.9 | 135.6 | 176.2 | -81.1 | -127.6 | -56.8 | 0 | 0 | 111.4 | F47 W51 L55 Y62 P162 T163 Y166 | F47-M53 PolarHBondContact O-N 3.43Å; W51-M53 PolarHBondContact O-N 2.97Å; W51-M53 VanDerWaalsContact O-N 3.08Å; M53-L55 PolarHBondContact O-N 3.1Å; M53-Y62 WeakPolarHBondContact CB-OH 3.37Å; M53-Y62 HydrophobicContact CE-CE1 3.71Å; M53-Y62 WeakPolarHBondContact CE-OH 3.47Å; M53-P162 HydrophobicContact CG-CB 3.42Å; M53-P162 VanDerWaalsContact CG-CB 3.42Å; M53-P162 HydrophobicContact SD-CB 3.75Å; M53-T163 PolarHBondContact SD-OG1 3.47Å; M53-Y166 HydrophobicContact CE-CG 4.41Å | ||
| 54 | D | 84.7 | Confident | 84.3 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 40% | 0.401 | 38% | 0.377 | S | S | . | . | trans | -65.6 | 124.2 | 177.8 | -169.1 | -64.6 | 0 | 0 | 0 | 111.6 | V56 Q57 S58 | D54-V56 WeakPolarHBondContact OD1-CA 3.4Å; D54-V56 PolarHBondContact OD1-N 3.12Å; D54-Q57 HydrophobicContact CB-CB 4.15Å; D54-Q57 HydrophobicContact CB-CG 4.41Å; D54-Q57 PolarHBondContact OD1-N 2.61Å; D54-S58 WeakPolarHBondContact O-CB 3.49Å; D54-S58 PolarHBondContact O-N 2.84Å; D54-S58 PolarHBondContact O-OG 2.91Å; D54-S58 VanDerWaalsContact O-OG 3.11Å | ||
| 55 | L | 77.1 | Confident | 84.3 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -40.1 | -178.8 | -91.5 | 163.2 | 0 | 0 | 0 | 113.2 | I44 W48 M53 A59 Y62 | I44-L55 HydrophobicContact CG2-CD2 4.2Å; W48-L55 HydrophobicContact CB-CG 4.35Å; W48-L55 HydrophobicContact CD2-CD1 3.41Å; W48-L55 VanDerWaalsContact CD2-CD1 3.41Å; W48-L55 HydrophobicContact CD2-CG 4.1Å; W48-L55 HydrophobicContact CE3-CD1 4.01Å; W48-L55 HydrophobicContact CG-CD1 3.67Å; W48-L55 HydrophobicContact CG-CD2 4.46Å; W48-L55 HydrophobicContact CG-CG 3.8Å; W48-L55 HydrophobicContact CH2-CD1 4.22Å; W48-L55 HydrophobicContact CZ2-CD1 3.69Å; W48-L55 HydrophobicContact CZ3-CD1 4.37Å; M53-L55 PolarHBondContact O-N 3.1Å; L55-A59 VanDerWaalsContact O-CA 3.29Å; L55-A59 WeakPolarHBondContact O-CA 3.11Å; L55-A59 WeakPolarHBondContact O-CB 3.11Å; L55-A59 PolarHBondContact O-N 3.41Å; L55-Y62 HydrophobicContact CD2-CD2 4.49Å; L55-Y62 HydrophobicContact CD2-CE2 4.32Å |
| 56 | V | 80.9 | Confident | 84.4 | Confident | 128 Ų | 128 | 67 Ų | 67 | 78% | 0.776 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -44.1 | -170.7 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | D54 A59 | D54-V56 WeakPolarHBondContact OD1-CA 3.4Å; D54-V56 PolarHBondContact OD1-N 3.12Å; V56-A59 WeakPolarHBondContact O-CB 3.44Å; V56-A59 PolarHBondContact O-N 2.84Å |
| 57 | Q | 81.8 | Confident | 84.5 | Confident | 164 Ų | 164 | 71.1 Ų | 71.1 | 77% | 0.766 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -36 | 177.8 | -65.4 | -174.6 | -18.9 | 0 | 0 | 112 | D54 | D54-Q57 HydrophobicContact CB-CB 4.15Å; D54-Q57 HydrophobicContact CB-CG 4.41Å; D54-Q57 PolarHBondContact OD1-N 2.61Å |
| 58 | S | 84.4 | Confident | 84.7 | Confident | 20 Ų | 20 | 74.3 Ų | 74.3 | 14% | 0.14 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 9.3 | 179 | -49.8 | 0 | 0 | 0 | 0 | 113.5 | D54 V60 L61 Y62 | D54-S58 WeakPolarHBondContact O-CB 3.49Å; D54-S58 PolarHBondContact O-N 2.84Å; D54-S58 PolarHBondContact O-OG 2.91Å; D54-S58 VanDerWaalsContact O-OG 3.11Å; S58-V60 VanDerWaalsContact C-N 3.29Å; S58-V60 PolarHBondContact O-N 2.93Å; S58-L61 WeakPolarHBondContact O-CB 3.12Å; S58-L61 PolarHBondContact O-N 2.72Å; S58-Y62 VanDerWaalsContact O-CD2 3.28Å; S58-Y62 WeakPolarHBondContact O-CD2 3.32Å; S58-Y62 PolarHBondContact O-N 3.03Å |
| 59 | A | 83.4 | Confident | 84.7 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 41% | 0.413 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.3 | -42.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L55 V56 L61 Y62 G63 | L55-A59 VanDerWaalsContact O-CA 3.29Å; L55-A59 WeakPolarHBondContact O-CA 3.11Å; L55-A59 WeakPolarHBondContact O-CB 3.11Å; L55-A59 PolarHBondContact O-N 3.41Å; V56-A59 WeakPolarHBondContact O-CB 3.44Å; V56-A59 PolarHBondContact O-N 2.84Å; A59-L61 VanDerWaalsContact C-N 3.34Å; A59-L61 PolarHBondContact O-N 2.93Å; A59-Y62 PolarHBondContact O-N 2.9Å; A59-G63 PolarHBondContact O-N 3.32Å |
| 60 | V | 87 | Confident | 84.7 | Confident | 118 Ų | 118 | 63 Ų | 63 | 72% | 0.715 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 177.6 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | S58 G63 V64 | S58-V60 VanDerWaalsContact C-N 3.29Å; S58-V60 PolarHBondContact O-N 2.93Å; V60-G63 PolarHBondContact O-N 2.92Å; V60-V64 HydrophobicContact CG1-CG2 4.41Å; V60-V64 VanDerWaalsContact O-CG2 3.31Å; V60-V64 WeakPolarHBondContact O-CG2 3.18Å; V60-V64 PolarHBondContact O-N 2.7Å |
| 61 | L | 87.1 | Confident | 84.7 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -44.1 | -179.4 | -172.8 | 152.8 | 0 | 0 | 0 | 111.2 | S58 A59 V64 M65 T163 Y166 I167 | S58-L61 WeakPolarHBondContact O-CB 3.12Å; S58-L61 PolarHBondContact O-N 2.72Å; A59-L61 VanDerWaalsContact C-N 3.34Å; A59-L61 PolarHBondContact O-N 2.93Å; L61-V64 PolarHBondContact O-N 3.49Å; L61-M65 HydrophobicContact CD2-CG 4.21Å; L61-M65 VanDerWaalsContact O-CB 3.3Å; L61-M65 WeakPolarHBondContact O-CB 3.41Å; L61-M65 WeakPolarHBondContact O-CG 3.1Å; L61-M65 PolarHBondContact O-N 3.42Å; L61-T163 HydrophobicContact CD1-CG2 3.55Å; L61-Y166 HydrophobicContact CD2-CD1 3.39Å; L61-Y166 HydrophobicContact CD2-CE1 3.64Å; L61-I167 HydrophobicContact CD1-CD1 4.03Å; L61-I167 HydrophobicContact CD1-CG1 4.42Å; L61-I167 HydrophobicContact CD2-CG1 4.24Å |
| 62 | Y | 85.9 | Confident | 84.6 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 171.8 | -69.8 | -48.6 | 0 | 0 | 0 | 111.5 | I44 M53 L55 S58 A59 V64 M65 T66 Y166 | I44-Y62 HydrophobicContact CG1-CD1 4.27Å; I44-Y62 HydrophobicContact CG2-CD1 4.03Å; I44-Y62 HydrophobicContact CG2-CD2 4.23Å; I44-Y62 HydrophobicContact CG2-CE1 4.26Å; I44-Y62 HydrophobicContact CG2-CE2 4.44Å; I44-Y62 HydrophobicContact CG2-CG 4.01Å; M53-Y62 WeakPolarHBondContact CB-OH 3.37Å; M53-Y62 HydrophobicContact CE-CE1 3.71Å; M53-Y62 WeakPolarHBondContact CE-OH 3.47Å; L55-Y62 HydrophobicContact CD2-CD2 4.49Å; L55-Y62 HydrophobicContact CD2-CE2 4.32Å; S58-Y62 VanDerWaalsContact O-CD2 3.28Å; S58-Y62 WeakPolarHBondContact O-CD2 3.32Å; S58-Y62 PolarHBondContact O-N 3.03Å; A59-Y62 PolarHBondContact O-N 2.9Å; Y62-V64 PolarHBondContact O-N 2.89Å; Y62-M65 PolarHBondContact O-N 3.23Å; Y62-T66 VanDerWaalsContact O-CB 3.24Å; Y62-T66 WeakPolarHBondContact O-CB 2.99Å; Y62-T66 PolarHBondContact O-N 3.44Å; Y62-T66 PolarHBondContact O-OG1 3.48Å; Y62-Y166 HydrophobicContact CD1-CD1 4.25Å; Y62-Y166 AromaticContact CD1-CE1 3.59Å; Y62-Y166 HydrophobicContact CD1-CE1 3.59Å; Y62-Y166 AromaticContact CD1-CE2 4Å; Y62-Y166 HydrophobicContact CD1-CE2 4Å; Y62-Y166 AromaticContact CD1-CZ 3.46Å; Y62-Y166 VanDerWaalsContact CD1-CZ 3.46Å; Y62-Y166 HydrophobicContact CE1-CD1 4.24Å; Y62-Y166 HydrophobicContact CE1-CD2 4.18Å; Y62-Y166 AromaticContact CE1-CE1 3.99Å; Y62-Y166 HydrophobicContact CE1-CE1 3.99Å; Y62-Y166 AromaticContact CE1-CE2 3.96Å; Y62-Y166 HydrophobicContact CE1-CE2 3.96Å; Y62-Y166 HydrophobicContact CE1-CG 4.31Å; Y62-Y166 AromaticContact CE1-CZ 3.87Å |
| 63 | G | 86 | Confident | 84.5 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.9 | -51.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A59 V60 T66 L67 | A59-G63 PolarHBondContact O-N 3.32Å; V60-G63 PolarHBondContact O-N 2.92Å; G63-T66 PolarHBondContact O-N 2.77Å; G63-L67 VanDerWaalsContact O-CG 3.27Å; G63-L67 WeakPolarHBondContact O-CG 3.36Å; G63-L67 PolarHBondContact O-N 3.19Å |
| 64 | V | 89.1 | Confident | 84.3 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | -179.9 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | V60 L61 Y62 T66 L67 V68 | V60-V64 HydrophobicContact CG1-CG2 4.41Å; V60-V64 VanDerWaalsContact O-CG2 3.31Å; V60-V64 WeakPolarHBondContact O-CG2 3.18Å; V60-V64 PolarHBondContact O-N 2.7Å; L61-V64 PolarHBondContact O-N 3.49Å; Y62-V64 PolarHBondContact O-N 2.89Å; V64-T66 PolarHBondContact O-N 2.95Å; V64-L67 PolarHBondContact O-N 3.05Å; V64-V68 HydrophobicContact CG1-CG2 4.44Å; V64-V68 WeakPolarHBondContact O-CG2 3.45Å; V64-V68 PolarHBondContact O-N 3.02Å |
| 65 | M | 88.9 | Confident | 83.8 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.1 | -37.5 | -177.7 | -69.8 | -59 | -58 | 0 | 0 | 112.5 | L61 Y62 S69 Y166 I167 I170 S171 | L61-M65 HydrophobicContact CD2-CG 4.21Å; L61-M65 VanDerWaalsContact O-CB 3.3Å; L61-M65 WeakPolarHBondContact O-CB 3.41Å; L61-M65 WeakPolarHBondContact O-CG 3.1Å; L61-M65 PolarHBondContact O-N 3.42Å; Y62-M65 PolarHBondContact O-N 3.23Å; M65-S69 WeakPolarHBondContact O-CB 3.09Å; M65-S69 PolarHBondContact O-N 3.28Å; M65-Y166 HydrophobicContact CB-CD1 4.49Å; M65-Y166 HydrophobicContact CB-CE1 3.53Å; M65-Y166 HydrophobicContact CG-CD1 4.25Å; M65-Y166 HydrophobicContact CG-CE1 3.71Å; M65-I167 HydrophobicContact CE-CB 4.47Å; M65-I167 HydrophobicContact CE-CG2 4.24Å; M65-I167 WeakPolarHBondContact CE-O 3.38Å; M65-I167 HydrophobicContact SD-CG1 4.34Å; M65-I167 HydrophobicContact SD-CG2 4.25Å; M65-I170 HydrophobicContact CE-CB 3.78Å; M65-I170 HydrophobicContact CE-CG2 3.72Å; M65-S171 WeakPolarHBondContact CE-OG 3.44Å |
| 66 | T | 87.9 | Confident | 83.6 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 174.5 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | S40 I44 Y62 G63 V64 T70 | S40-T66 WeakPolarHBondContact OG-CG2 3.37Å; I44-T66 WeakPolarHBondContact CD1-OG1 3.12Å; Y62-T66 VanDerWaalsContact O-CB 3.24Å; Y62-T66 WeakPolarHBondContact O-CB 2.99Å; Y62-T66 PolarHBondContact O-N 3.44Å; Y62-T66 PolarHBondContact O-OG1 3.48Å; G63-T66 PolarHBondContact O-N 2.77Å; V64-T66 PolarHBondContact O-N 2.95Å; T66-T70 WeakPolarHBondContact O-CB 3.46Å; T66-T70 PolarHBondContact O-N 3.37Å; T66-T70 PolarHBondContact O-OG1 3.25Å |
| 67 | L | 87.4 | Confident | 83.1 | Confident | 116 Ų | 116 | 47.4 Ų | 47.4 | 61% | 0.607 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65 | -46.6 | 175.7 | -71.8 | 173.3 | 0 | 0 | 0 | 112.1 | G63 V64 T70 Y71 | G63-L67 VanDerWaalsContact O-CG 3.27Å; G63-L67 WeakPolarHBondContact O-CG 3.36Å; G63-L67 PolarHBondContact O-N 3.19Å; V64-L67 PolarHBondContact O-N 3.05Å; L67-T70 PolarHBondContact O-N 3.24Å; L67-Y71 PolarHBondContact O-N 3.48Å |
| 68 | V | 88 | Confident | 82.3 | Confident | 68 Ų | 68 | 42.7 Ų | 42.7 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62 | -47.3 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | V64 Y71 L72 | V64-V68 HydrophobicContact CG1-CG2 4.44Å; V64-V68 WeakPolarHBondContact O-CG2 3.45Å; V64-V68 PolarHBondContact O-N 3.02Å; V68-Y71 PolarHBondContact O-N 2.81Å; V68-L72 HydrophobicContact CG1-CD1 3.72Å; V68-L72 WeakPolarHBondContact O-CD1 3.47Å; V68-L72 PolarHBondContact O-N 3.17Å |
| 69 | S | 84.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -44.6 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | M65 Y71 L72 V73 F145 | M65-S69 WeakPolarHBondContact O-CB 3.09Å; M65-S69 PolarHBondContact O-N 3.28Å; S69-Y71 VanDerWaalsContact C-N 3.29Å; S69-Y71 PolarHBondContact O-N 3.16Å; S69-L72 PolarHBondContact O-N 3.3Å; S69-V73 VanDerWaalsContact O-CB 3.32Å; S69-V73 WeakPolarHBondContact O-CB 3.5Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.41Å; S69-V73 PolarHBondContact O-N 3Å; S69-F145 WeakPolarHBondContact OG-CZ 3.23Å |
| 70 | T | 86.3 | Confident | 80.5 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.7 | -46.6 | 175 | -65.4 | 0 | 0 | 0 | 0 | 111 | Y33 A36 L37 S40 T66 L67 A74 | Y33-T70 HydrophobicContact CD1-CG2 4.2Å; A36-T70 HydrophobicContact CB-CG2 3.97Å; L37-T70 HydrophobicContact CB-CG2 4.49Å; L37-T70 HydrophobicContact CD2-CG2 3.66Å; L37-T70 WeakPolarHBondContact CD2-OG1 3.29Å; L37-T70 HydrophobicContact CG-CG2 3.62Å; S40-T70 PolarHBondContact OG-OG1 3.35Å; T66-T70 WeakPolarHBondContact O-CB 3.46Å; T66-T70 PolarHBondContact O-N 3.37Å; T66-T70 PolarHBondContact O-OG1 3.25Å; L67-T70 PolarHBondContact O-N 3.24Å; T70-A74 WeakPolarHBondContact O-CB 3.5Å; T70-A74 PolarHBondContact O-N 3.39Å |
| 71 | Y | 83 | Confident | 78.9 | Confident | 138 Ų | 138 | 35.6 Ų | 35.6 | 54% | 0.541 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62 | -46.8 | 179.8 | 178.7 | -96.4 | 0 | 0 | 0 | 111.7 | L67 V68 S69 F75 | L67-Y71 PolarHBondContact O-N 3.48Å; V68-Y71 PolarHBondContact O-N 2.81Å; S69-Y71 VanDerWaalsContact C-N 3.29Å; S69-Y71 PolarHBondContact O-N 3.16Å; Y71-F75 VanDerWaalsContact O-CB 3.25Å; Y71-F75 WeakPolarHBondContact O-CB 3.17Å; Y71-F75 PolarHBondContact O-N 2.7Å |
| 72 | L | 79.9 | Confident | 77.4 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 179.1 | -78.7 | 152.1 | 0 | 0 | 0 | 112.8 | V68 S69 F75 A76 S174 A178 | V68-L72 HydrophobicContact CG1-CD1 3.72Å; V68-L72 WeakPolarHBondContact O-CD1 3.47Å; V68-L72 PolarHBondContact O-N 3.17Å; S69-L72 PolarHBondContact O-N 3.3Å; L72-F75 WeakPolarHBondContact O-CB 3.27Å; L72-F75 PolarHBondContact O-N 2.89Å; L72-A76 WeakPolarHBondContact O-CB 3.02Å; L72-A76 PolarHBondContact O-N 3.4Å; L72-S174 WeakPolarHBondContact CD1-OG 3.36Å; L72-A178 HydrophobicContact CD2-CB 3.81Å |
| 73 | V | 79.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.7 | -43 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | A36 V39 S69 F75 A76 Y77 F145 | A36-V73 HydrophobicContact CB-CB 4.36Å; A36-V73 HydrophobicContact CB-CG1 4.06Å; V39-V73 HydrophobicContact CG1-CG1 4.04Å; S69-V73 VanDerWaalsContact O-CB 3.32Å; S69-V73 WeakPolarHBondContact O-CB 3.5Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.41Å; S69-V73 PolarHBondContact O-N 3Å; V73-F75 VanDerWaalsContact C-N 3.31Å; V73-F75 PolarHBondContact O-N 3.34Å; V73-A76 CarbonylContact O-C 3.59Å; V73-A76 WeakPolarHBondContact O-CB 3.18Å; V73-A76 PolarHBondContact O-N 3.42Å; V73-Y77 HydrophobicContact CG1-CD1 4.13Å; V73-Y77 HydrophobicContact CG1-CE1 3.4Å; V73-Y77 VanDerWaalsContact CG1-CE1 3.4Å; V73-Y77 HydrophobicContact CG1-CE2 4.07Å; V73-Y77 WeakPolarHBondContact CG1-OH 3.37Å; V73-Y77 VanDerWaalsContact O-CD1 3.3Å; V73-Y77 WeakPolarHBondContact O-CD1 3.34Å; V73-Y77 PolarHBondContact O-N 2.95Å; V73-F145 HydrophobicContact CG2-CD2 3.97Å; V73-F145 HydrophobicContact CG2-CE2 4.2Å; V73-F145 HydrophobicContact CG2-CG 4.28Å |
| 74 | A | 76.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y33 A36 T70 A76 Y77 K78 | Y33-A74 HydrophobicContact CD1-CB 3.84Å; Y33-A74 HydrophobicContact CD2-CB 4.36Å; Y33-A74 HydrophobicContact CE1-CB 3.67Å; Y33-A74 HydrophobicContact CE2-CB 4.22Å; Y33-A74 HydrophobicContact CG-CB 4.18Å; A36-A74 HydrophobicContact CB-CB 4.02Å; T70-A74 WeakPolarHBondContact O-CB 3.5Å; T70-A74 PolarHBondContact O-N 3.39Å; A74-A76 VanDerWaalsContact C-N 3.33Å; A74-A76 PolarHBondContact O-N 2.86Å; A74-Y77 WeakPolarHBondContact O-CB 3.36Å; A74-Y77 PolarHBondContact O-N 3.44Å; A74-K78 WeakPolarHBondContact O-CG 3.04Å; A74-K78 PolarHBondContact O-N 3.28Å |
| 75 | F | 75.4 | Confident | 72.2 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 32% | 0.32 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 174 | -179.7 | -102.3 | 0 | 0 | 0 | 111.7 | Y71 L72 V73 K78 N79 A178 | Y71-F75 VanDerWaalsContact O-CB 3.25Å; Y71-F75 WeakPolarHBondContact O-CB 3.17Å; Y71-F75 PolarHBondContact O-N 2.7Å; L72-F75 WeakPolarHBondContact O-CB 3.27Å; L72-F75 PolarHBondContact O-N 2.89Å; V73-F75 VanDerWaalsContact C-N 3.31Å; V73-F75 PolarHBondContact O-N 3.34Å; F75-K78 PolarHBondContact O-N 3.42Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.26Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.4Å; F75-N79 PolarHBondContact O-N 2.76Å; F75-A178 HydrophobicContact CD1-CB 4.2Å |
| 76 | A | 72.8 | Confident | 70.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L72 V73 A74 K78 N79 V80 I177 S181 | L72-A76 WeakPolarHBondContact O-CB 3.02Å; L72-A76 PolarHBondContact O-N 3.4Å; V73-A76 CarbonylContact O-C 3.59Å; V73-A76 WeakPolarHBondContact O-CB 3.18Å; V73-A76 PolarHBondContact O-N 3.42Å; A74-A76 VanDerWaalsContact C-N 3.33Å; A74-A76 PolarHBondContact O-N 2.86Å; A76-K78 VanDerWaalsContact C-N 3.28Å; A76-K78 PolarHBondContact O-N 3.46Å; A76-N79 PolarHBondContact O-N 2.7Å; A76-V80 VanDerWaalsContact O-CB 3.28Å; A76-V80 WeakPolarHBondContact O-CB 3.16Å; A76-V80 VanDerWaalsContact O-CG2 3.31Å; A76-V80 WeakPolarHBondContact O-CG2 3.17Å; A76-V80 PolarHBondContact O-N 2.92Å; A76-I177 HydrophobicContact CB-CG2 3.45Å; A76-I177 VanDerWaalsContact CB-CG2 3.45Å; A76-S181 PolarHBondContact O-OG 3.23Å; A76-S181 VanDerWaalsContact O-OG 3.06Å |
| 77 | Y | 69.1 | Low | 68.2 | Low | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -42.5 | 172.5 | -63.6 | -14 | 0 | 0 | 0 | 111.5 | F32 N35 A36 V39 V73 A74 K81 N141 N142 | F32-Y77 HydrophobicContact CB-CD2 3.83Å; F32-Y77 AromaticContact CD1-CD2 3.9Å; F32-Y77 HydrophobicContact CD1-CD2 3.9Å; F32-Y77 HydrophobicContact CD1-CG 4.38Å; F32-Y77 HydrophobicContact CG-CD2 4.07Å; F32-Y77 WeakPolarHBondContact O-CE2 3.15Å; N35-Y77 HydrophobicContact CB-CE2 4.38Å; A36-Y77 HydrophobicContact CB-CD2 4.41Å; A36-Y77 HydrophobicContact CB-CE2 3.7Å; V39-Y77 WeakPolarHBondContact CG1-OH 3.43Å; V73-Y77 HydrophobicContact CG1-CD1 4.13Å; V73-Y77 HydrophobicContact CG1-CE1 3.4Å; V73-Y77 VanDerWaalsContact CG1-CE1 3.4Å; V73-Y77 HydrophobicContact CG1-CE2 4.07Å; V73-Y77 WeakPolarHBondContact CG1-OH 3.37Å; V73-Y77 VanDerWaalsContact O-CD1 3.3Å; V73-Y77 WeakPolarHBondContact O-CD1 3.34Å; V73-Y77 PolarHBondContact O-N 2.95Å; A74-Y77 WeakPolarHBondContact O-CB 3.36Å; A74-Y77 PolarHBondContact O-N 3.44Å; Y77-K81 WeakPolarHBondContact O-CB 3.29Å; Y77-K81 PolarHBondContact O-N 3.33Å; Y77-N141 HydrophobicContact CD1-CB 3.4Å; Y77-N141 VanDerWaalsContact CD1-CB 3.4Å; Y77-N141 HydrophobicContact CE1-CB 3.37Å; Y77-N142 VanDerWaalsContact CZ-OD1 3.32Å; Y77-N142 PolarHBondContact OH-OD1 2.95Å |
| 78 | K | 66.8 | Low | 66.3 | Low | 65 Ų | 65 | 45.8 Ų | 45.8 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 178.5 | -64.2 | -167.1 | 175.5 | 177 | 0 | 111.6 | L24 A74 F75 A76 F82 | L24-K78 HydrophobicContact CD1-CB 4.01Å; L24-K78 HydrophobicContact CD1-CD 3.94Å; L24-K78 HydrophobicContact CD1-CG 3.48Å; L24-K78 VanDerWaalsContact CD1-CG 3.48Å; A74-K78 WeakPolarHBondContact O-CG 3.04Å; A74-K78 PolarHBondContact O-N 3.28Å; F75-K78 PolarHBondContact O-N 3.42Å; A76-K78 VanDerWaalsContact C-N 3.28Å; A76-K78 PolarHBondContact O-N 3.46Å; K78-F82 WeakPolarHBondContact O-CB 3.49Å; K78-F82 PolarHBondContact O-N 3.44Å |
| 79 | N | 66.4 | Low | 64.3 | Low | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.5 | -39.9 | -177.8 | -77.6 | -12.7 | 0 | 0 | 0 | 112.2 | F75 A76 F82 V83 S181 | F75-N79 WeakPolarHBondContact CE1-ND2 3.26Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.4Å; F75-N79 PolarHBondContact O-N 2.76Å; A76-N79 PolarHBondContact O-N 2.7Å; N79-F82 WeakPolarHBondContact O-CB 3.37Å; N79-F82 PolarHBondContact O-N 3.47Å; N79-F82 VanDerWaalsContact O-N 3.17Å; N79-V83 WeakPolarHBondContact O-CG2 3.37Å; N79-V83 PolarHBondContact O-N 2.98Å; N79-S181 WeakPolarHBondContact CB-OG 3.49Å |
| 80 | V | 62.1 | Low | 62.3 | Low | 12 Ų | 12 | 51.1 Ų | 51.1 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 171.7 | 172.5 | 0 | 0 | 0 | 0 | 110 | A76 F82 V83 L84 N141 S181 | A76-V80 VanDerWaalsContact O-CB 3.28Å; A76-V80 WeakPolarHBondContact O-CB 3.16Å; A76-V80 VanDerWaalsContact O-CG2 3.31Å; A76-V80 WeakPolarHBondContact O-CG2 3.17Å; A76-V80 PolarHBondContact O-N 2.92Å; V80-F82 PolarHBondContact O-N 3.39Å; V80-V83 PolarHBondContact O-N 2.96Å; V80-L84 HydrophobicContact CG1-CD1 4.01Å; V80-L84 VanDerWaalsContact O-CB 3.26Å; V80-L84 WeakPolarHBondContact O-CB 3.46Å; V80-L84 PolarHBondContact O-N 3.47Å; V80-N141 VanDerWaalsContact CB-ND2 3.34Å; V80-N141 WeakPolarHBondContact CB-ND2 3.26Å; V80-N141 WeakPolarHBondContact CG2-ND2 3.37Å; V80-N141 WeakPolarHBondContact CG2-OD1 3.37Å; V80-S181 VanDerWaalsContact CG2-OG 3.25Å; V80-S181 WeakPolarHBondContact CG2-OG 3.46Å; V80-S181 PolarHBondContact N-OG 3.37Å |
| 81 | K | 54.3 | Low | 60.5 | Low | 14 Ų | 14 | 59.8 Ų | 59.8 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58 | -37.2 | 174.1 | 176.2 | 160.8 | 169.4 | 174.7 | 0 | 111.6 | L24 S28 F32 Y77 K85 D130 T134 | L24-K81 HydrophobicContact CD2-CD 3.37Å; L24-K81 HydrophobicContact CD2-CG 4.06Å; S28-K81 PolarHBondContact OG-NZ 3.36Å; S28-K81 VanDerWaalsContact OG-NZ 3.12Å; F32-K81 HydrophobicContact CE2-CD 3.83Å; F32-K81 HydrophobicContact CZ-CD 3.54Å; Y77-K81 WeakPolarHBondContact O-CB 3.29Å; Y77-K81 PolarHBondContact O-N 3.33Å; K81-K85 VanDerWaalsContact O-CB 3.23Å; K81-K85 WeakPolarHBondContact O-CB 3.29Å; K81-K85 PolarHBondContact O-N 3.06Å; K81-D130 IonicContact NZ-OD1 3.54Å; K81-T134 PolarHBondContact NZ-OG1 3Å; K81-T134 VanDerWaalsContact NZ-OG1 3.1Å |
| 82 | F | 54.5 | Low | 58.8 | Low | 109 Ų | 109 | 59.3 Ų | 59.3 | 48% | 0.478 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.5 | -47.4 | 176.4 | -172.6 | -97.7 | 0 | 0 | 0 | 112.7 | R22 K78 N79 V80 K85 H86 | R22-F82 HydrophobicContact CB-CE2 4.48Å; R22-F82 HydrophobicContact CG-CD2 4.05Å; R22-F82 HydrophobicContact CG-CE2 4.25Å; K78-F82 WeakPolarHBondContact O-CB 3.49Å; K78-F82 PolarHBondContact O-N 3.44Å; N79-F82 WeakPolarHBondContact O-CB 3.37Å; N79-F82 PolarHBondContact O-N 3.47Å; N79-F82 VanDerWaalsContact O-N 3.17Å; V80-F82 PolarHBondContact O-N 3.39Å; F82-K85 PolarHBondContact O-N 3.02Å; F82-H86 PolarHBondContact O-N 2.91Å |
| 83 | V | 51.8 | Low | 57.1 | Low | 27 Ų | 27 | 63.6 Ų | 63.6 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 175.4 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | N79 V80 H86 K87 | N79-V83 WeakPolarHBondContact O-CG2 3.37Å; N79-V83 PolarHBondContact O-N 2.98Å; V80-V83 PolarHBondContact O-N 2.96Å; V83-H86 PolarHBondContact O-N 2.97Å; V83-K87 HydrophobicContact CG1-CD 4.27Å; V83-K87 PolarHBondContact O-N 3.38Å; V83-K87 VanDerWaalsContact O-N 3.08Å |
| 84 | L | 52.5 | Low | 55.5 | Low | 29 Ų | 29 | 69.3 Ų | 69.3 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.7 | -32.5 | 177.4 | -111.7 | 71.9 | 0 | 0 | 0 | 111.6 | V80 H86 K87 V88 F136 | V80-L84 HydrophobicContact CG1-CD1 4.01Å; V80-L84 VanDerWaalsContact O-CB 3.26Å; V80-L84 WeakPolarHBondContact O-CB 3.46Å; V80-L84 PolarHBondContact O-N 3.47Å; L84-H86 PolarHBondContact O-N 3.47Å; L84-K87 PolarHBondContact O-N 3.25Å; L84-V88 HydrophobicContact CB-CG2 4.15Å; L84-V88 HydrophobicContact CD2-CG2 4.14Å; L84-V88 HydrophobicContact CG-CG2 3.88Å; L84-V88 WeakPolarHBondContact O-CA 2.98Å; L84-V88 WeakPolarHBondContact O-CB 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 3.28Å; L84-F136 HydrophobicContact CD2-CD1 3.23Å; L84-F136 HydrophobicContact CD2-CE1 3.57Å; L84-F136 HydrophobicContact CD2-CG 4.27Å |
| 85 | K | 49.2 | Very low | 54.2 | Low | 87 Ų | 87 | 71.4 Ų | 71.4 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 175.6 | -165.6 | 174.2 | -178.8 | -179.3 | 0 | 110.2 | D19 K81 F82 A89 | D19-K85 PolarHBondContact O-NZ 2.81Å; K81-K85 VanDerWaalsContact O-CB 3.23Å; K81-K85 WeakPolarHBondContact O-CB 3.29Å; K81-K85 PolarHBondContact O-N 3.06Å; F82-K85 PolarHBondContact O-N 3.02Å; K85-A89 WeakPolarHBondContact O-CB 3.45Å; K85-A89 PolarHBondContact O-N 3.35Å |
| 86 | H | 45.4 | Very low | 52.9 | Low | 124 Ų | 124 | 71 Ų | 71 | 57% | 0.574 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -74.1 | -43.8 | 175.7 | -164.9 | -52.4 | 0 | 0 | 0 | 113.4 | F82 V83 L84 Q90 | F82-H86 PolarHBondContact O-N 2.91Å; V83-H86 PolarHBondContact O-N 2.97Å; L84-H86 PolarHBondContact O-N 3.47Å; H86-Q90 PolarHBondContact O-N 3.27Å; H86-Q90 VanDerWaalsContact O-N 3.16Å |
| 87 | K | 46.4 | Very low | 51.7 | Low | 100 Ų | 100 | 74.3 Ų | 74.3 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -73.9 | -35.4 | -179.3 | -75.3 | -177.9 | 177.6 | 175.1 | 0 | 113.3 | V83 L84 K91 S184 | V83-K87 HydrophobicContact CG1-CD 4.27Å; V83-K87 PolarHBondContact O-N 3.38Å; V83-K87 VanDerWaalsContact O-N 3.08Å; L84-K87 PolarHBondContact O-N 3.25Å; K87-K91 WeakPolarHBondContact O-CB 3.09Å; K87-K91 PolarHBondContact O-N 3Å; K87-S184 PolarHBondContact NZ-OG 3.23Å |
| 88 | V | 48.3 | Very low | 51 | Low | 53 Ų | 53 | 82 Ų | 82 | 32% | 0.321 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -75.1 | -38.9 | 174.9 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | L84 Q90 K91 R92 | L84-V88 HydrophobicContact CB-CG2 4.15Å; L84-V88 HydrophobicContact CD2-CG2 4.14Å; L84-V88 HydrophobicContact CG-CG2 3.88Å; L84-V88 WeakPolarHBondContact O-CA 2.98Å; L84-V88 WeakPolarHBondContact O-CB 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 3.28Å; V88-Q90 VanDerWaalsContact C-N 3.33Å; V88-Q90 PolarHBondContact O-N 3.36Å; V88-K91 PolarHBondContact O-N 3.04Å; V88-R92 HydrophobicContact CG1-CB 4.23Å; V88-R92 HydrophobicContact CG1-CG 3.7Å; V88-R92 WeakPolarHBondContact O-CA 3.27Å; V88-R92 WeakPolarHBondContact O-CB 3.34Å; V88-R92 PolarHBondContact O-N 3.4Å |
| 89 | A | 45.2 | Very low | 50.3 | Low | 56 Ų | 56 | 82.6 Ų | 82.6 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.3 | -46.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K85 E93 | K85-A89 WeakPolarHBondContact O-CB 3.45Å; K85-A89 PolarHBondContact O-N 3.35Å; A89-E93 VanDerWaalsContact O-CB 3.26Å; A89-E93 WeakPolarHBondContact O-CB 3.25Å; A89-E93 PolarHBondContact O-N 3.45Å |
| 90 | Q | 41.8 | Very low | 49.6 | Very low | 126 Ų | 126 | 83.7 Ų | 83.7 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.2 | -37.3 | 177 | -83.6 | -177.1 | -35.4 | 0 | 0 | 114.6 | H86 V88 | H86-Q90 PolarHBondContact O-N 3.27Å; H86-Q90 VanDerWaalsContact O-N 3.16Å; V88-Q90 VanDerWaalsContact C-N 3.33Å; V88-Q90 PolarHBondContact O-N 3.36Å |
| 91 | K | 50.4 | Low | 49.1 | Very low | 187 Ų | 187 | 87.6 Ų | 87.6 | 81% | 0.813 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -83.7 | -24.2 | 179.9 | -102.5 | -175.4 | 173.1 | -175.2 | 0 | 114.3 | K87 V88 | K87-K91 WeakPolarHBondContact O-CB 3.09Å; K87-K91 PolarHBondContact O-N 3Å; V88-K91 PolarHBondContact O-N 3.04Å |
| 92 | R | 46.6 | Very low | 48.9 | Very low | 128 Ų | 128 | 94.1 Ų | 94.1 | 48% | 0.483 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -100 | -11.7 | 178.8 | -72.1 | -76 | -160.7 | 178.7 | 6.6 | 112.4 | V88 D94 A95 V96 E132 | V88-R92 HydrophobicContact CG1-CB 4.23Å; V88-R92 HydrophobicContact CG1-CG 3.7Å; V88-R92 WeakPolarHBondContact O-CA 3.27Å; V88-R92 WeakPolarHBondContact O-CB 3.34Å; V88-R92 PolarHBondContact O-N 3.4Å; R92-D94 VanDerWaalsContact C-N 3.29Å; R92-D94 PolarHBondContact O-N 3.37Å; R92-A95 PolarHBondContact O-N 2.85Å; R92-V96 HydrophobicContact CB-CG2 3.94Å; R92-V96 WeakPolarHBondContact O-CA 3.28Å; R92-V96 WeakPolarHBondContact O-CB 3.49Å; R92-V96 WeakPolarHBondContact O-CG2 2.96Å; R92-V96 PolarHBondContact O-N 2.89Å; R92-E132 IonicContact NH2-OE2 3.75Å |
| 93 | E | 44.7 | Very low | 48.7 | Very low | 133 Ų | 133 | 95 Ų | 95 | 62% | 0.621 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -53 | -48.1 | 173.4 | -119.6 | -175 | 150.1 | 0 | 0 | 111.4 | A89 A95 S97 | A89-E93 VanDerWaalsContact O-CB 3.26Å; A89-E93 WeakPolarHBondContact O-CB 3.25Å; A89-E93 PolarHBondContact O-N 3.45Å; E93-A95 PolarHBondContact O-N 2.81Å; E93-S97 WeakPolarHBondContact O-CA 3.25Å; E93-S97 WeakPolarHBondContact O-CB 3.41Å; E93-S97 PolarHBondContact O-N 2.77Å |
| 94 | D | 45.2 | Very low | 48.5 | Very low | 120 Ų | 120 | 98.5 Ų | 98.5 | 64% | 0.642 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70 | -35.9 | -178 | -73.4 | -30.1 | 0 | 0 | 0 | 113.4 | R92 K98 | R92-D94 VanDerWaalsContact C-N 3.29Å; R92-D94 PolarHBondContact O-N 3.37Å; D94-K98 WeakPolarHBondContact O-CB 3.48Å; D94-K98 VanDerWaalsContact O-CG 3.29Å; D94-K98 WeakPolarHBondContact O-CG 3.31Å; D94-K98 PolarHBondContact O-N 3.2Å |
| 95 | A | 49.8 | Very low | 48.2 | Very low | 43 Ų | 43 | 101.9 Ų | 101.9 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -78.9 | -40 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R92 E93 K98 E99 | R92-A95 PolarHBondContact O-N 2.85Å; E93-A95 PolarHBondContact O-N 2.81Å; A95-K98 PolarHBondContact O-N 2.98Å; A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 PolarHBondContact O-N 2.92Å |
| 96 | V | 46.9 | Very low | 48.2 | Very low | 66 Ų | 66 | 105.9 Ų | 105.9 | 40% | 0.4 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.2 | -40.3 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 109.5 | R92 K98 E99 V100 | R92-V96 HydrophobicContact CB-CG2 3.94Å; R92-V96 WeakPolarHBondContact O-CA 3.28Å; R92-V96 WeakPolarHBondContact O-CB 3.49Å; R92-V96 WeakPolarHBondContact O-CG2 2.96Å; R92-V96 PolarHBondContact O-N 2.89Å; V96-K98 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 2.99Å; V96-E99 CarbonylContact O-C 3.58Å; V96-E99 PolarHBondContact O-N 3.24Å; V96-V100 HydrophobicContact CG1-CG2 3.72Å; V96-V100 WeakPolarHBondContact O-CB 3.49Å; V96-V100 WeakPolarHBondContact O-CG2 3.21Å; V96-V100 PolarHBondContact O-N 3.06Å |
| 97 | S | 47.7 | Very low | 48.4 | Very low | 69 Ų | 69 | 103.6 Ų | 103.6 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 172.6 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | E93 T101 | E93-S97 WeakPolarHBondContact O-CA 3.25Å; E93-S97 WeakPolarHBondContact O-CB 3.41Å; E93-S97 PolarHBondContact O-N 2.77Å; S97-T101 VanDerWaalsContact O-CB 3.24Å; S97-T101 WeakPolarHBondContact O-CB 3.24Å; S97-T101 PolarHBondContact O-N 3.35Å; S97-T101 PolarHBondContact O-OG1 3.25Å |
| 98 | K | 55.8 | Low | 48.3 | Very low | 160 Ų | 160 | 103.2 Ų | 103.2 | 70% | 0.696 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 172.3 | -76.3 | 177.2 | -179.1 | 179.3 | 0 | 113.1 | D94 A95 V96 R102 | D94-K98 WeakPolarHBondContact O-CB 3.48Å; D94-K98 VanDerWaalsContact O-CG 3.29Å; D94-K98 WeakPolarHBondContact O-CG 3.31Å; D94-K98 PolarHBondContact O-N 3.2Å; A95-K98 PolarHBondContact O-N 2.98Å; V96-K98 VanDerWaalsContact C-N 3.33Å; V96-K98 PolarHBondContact O-N 2.99Å; K98-R102 VanDerWaalsContact O-CB 3.25Å; K98-R102 WeakPolarHBondContact O-CB 3.24Å; K98-R102 PolarHBondContact O-N 3.3Å |
| 99 | E | 51.9 | Low | 48.2 | Very low | 78 Ų | 78 | 108.3 Ų | 108.3 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.1 | -36.8 | 177.2 | -164.3 | 86.1 | -136.8 | 0 | 0 | 112.2 | A95 V96 R102 K103 | A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 PolarHBondContact O-N 2.92Å; V96-E99 CarbonylContact O-C 3.58Å; V96-E99 PolarHBondContact O-N 3.24Å; E99-R102 IonicContact OE1-CZ 3.93Å; E99-R102 IonicContact OE1-NH2 2.95Å; E99-R102 PolarHBondContact OE1-NH2 2.73Å; E99-K103 HydrophobicContact CG-CD 4.34Å; E99-K103 WeakPolarHBondContact O-CB 3.32Å; E99-K103 WeakPolarHBondContact O-CG 3.24Å; E99-K103 PolarHBondContact O-N 3.5Å; E99-K103 WeakPolarHBondContact OE1-CE 3.35Å; E99-K103 IonicContact OE1-NZ 3.94Å |
| 100 | V | 51.7 | Low | 48.4 | Very low | 37 Ų | 37 | 116.2 Ų | 116.2 | 22% | 0.224 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -65.1 | -49.4 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 109.7 | V96 R102 K103 L104 K125 | V96-V100 HydrophobicContact CG1-CG2 3.72Å; V96-V100 WeakPolarHBondContact O-CB 3.49Å; V96-V100 WeakPolarHBondContact O-CG2 3.21Å; V96-V100 PolarHBondContact O-N 3.06Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 3.08Å; V100-K103 PolarHBondContact O-N 3.48Å; V100-L104 HydrophobicContact CG1-CD1 3.77Å; V100-L104 WeakPolarHBondContact O-CB 3.3Å; V100-L104 PolarHBondContact O-N 2.89Å; V100-K125 VanDerWaalsContact CB-NZ 3.32Å; V100-K125 HydrophobicContact CG2-CD 3.68Å |
| 101 | T | 50.7 | Low | 48.7 | Very low | 94 Ų | 94 | 119.4 Ų | 119.4 | 58% | 0.577 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.1 | -37.8 | 178.3 | -57.6 | 0 | 0 | 0 | 0 | 111 | S97 S105 | S97-T101 VanDerWaalsContact O-CB 3.24Å; S97-T101 WeakPolarHBondContact O-CB 3.24Å; S97-T101 PolarHBondContact O-N 3.35Å; S97-T101 PolarHBondContact O-OG1 3.25Å; T101-S105 PolarHBondContact O-N 3.5Å |
| 102 | R | 51 | Low | 48.6 | Very low | 150 Ų | 150 | 114.8 Ų | 114.8 | 57% | 0.566 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.9 | -43.4 | 176.5 | -166 | 174.3 | 70.9 | 132 | -0.6 | 112.9 | K98 E99 V100 S105 | K98-R102 VanDerWaalsContact O-CB 3.25Å; K98-R102 WeakPolarHBondContact O-CB 3.24Å; K98-R102 PolarHBondContact O-N 3.3Å; E99-R102 IonicContact OE1-CZ 3.93Å; E99-R102 IonicContact OE1-NH2 2.95Å; E99-R102 PolarHBondContact OE1-NH2 2.73Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 3.08Å; R102-S105 PolarHBondContact O-N 3.49Å |
| 103 | K | 49.4 | Very low | 49.1 | Very low | 128 Ų | 128 | 112.4 Ų | 112.4 | 56% | 0.557 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -74.6 | -23.8 | 180 | -73 | -176.1 | 178.8 | 178.2 | 0 | 114.2 | E99 V100 S105 | E99-K103 HydrophobicContact CG-CD 4.34Å; E99-K103 WeakPolarHBondContact O-CB 3.32Å; E99-K103 WeakPolarHBondContact O-CG 3.24Å; E99-K103 PolarHBondContact O-N 3.5Å; E99-K103 WeakPolarHBondContact OE1-CE 3.35Å; E99-K103 IonicContact OE1-NZ 3.94Å; V100-K103 PolarHBondContact O-N 3.48Å; K103-S105 VanDerWaalsContact C-N 3.28Å |
| 104 | L | 47.1 | Very low | 49.7 | Very low | 100 Ų | 100 | 116 Ų | 116 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.8 | -19.4 | 170.1 | -94.5 | 148.7 | 0 | 0 | 0 | 112.9 | V100 | V100-L104 HydrophobicContact CG1-CD1 3.77Å; V100-L104 WeakPolarHBondContact O-CB 3.3Å; V100-L104 PolarHBondContact O-N 2.89Å |
| 105 | S | 47.9 | Very low | 50.3 | Low | 101 Ų | 101 | 118.6 Ų | 118.6 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -84.9 | -19.7 | -176.8 | -164.8 | 0 | 0 | 0 | 0 | 114.4 | T101 R102 K103 | T101-S105 PolarHBondContact O-N 3.5Å; R102-S105 PolarHBondContact O-N 3.49Å; K103-S105 VanDerWaalsContact C-N 3.28Å |
| 106 | E | 48.8 | Very low | 50.9 | Low | 170 Ų | 170 | 120.9 Ų | 120.9 | 79% | 0.794 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -115.9 | -21.9 | -167.1 | -76.4 | -175.9 | 159.2 | 0 | 0 | 116.6 | ||
| 107 | A | 48.1 | Very low | 51.5 | Low | 77 Ų | 77 | 118.5 Ų | 118.5 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -125.3 | 1.1 | -156.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 108 | D | 45.9 | Very low | 52.1 | Low | 91 Ų | 91 | 118.9 Ų | 118.9 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | trans | -150.6 | 38.5 | -174.6 | -122.3 | -13 | 0 | 0 | 0 | 118 | R110 K117 | D108-R110 PolarHBondContact O-N 2.9Å; D108-K117 HydrophobicContact CB-CD 3.78Å; D108-K117 PolarHBondContact O-NZ 2.81Å; D108-K117 WeakPolarHBondContact OD1-CE 3.37Å; D108-K117 IonicContact OD1-NZ 2.66Å; D108-K117 PolarHBondContact OD1-NZ 3.06Å; D108-K117 WeakPolarHBondContact OD2-CD 3.33Å; D108-K117 WeakPolarHBondContact OD2-CE 3.46Å; D108-K117 IonicContact OD2-NZ 3.22Å; D108-K117 PolarHBondContact OD2-NZ 2.74Å | ||
| 109 | N | 44.9 | Very low | 52.5 | Low | 160 Ų | 160 | 117.9 Ų | 117.9 | 86% | 0.856 | 57% | 0.574 | S | S | * | * | trans | -64.9 | 119.7 | 156.9 | -91 | -41.5 | 0 | 0 | 0 | 109.3 | ||||
| 110 | R | 50.4 | Low | 53.2 | Low | 223 Ų | 223 | 120.9 Ų | 120.9 | 84% | 0.842 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 86.9 | 92.8 | 160.2 | -155.3 | 177.1 | 168.5 | -169.2 | -3.8 | 115.6 | D108 | D108-R110 PolarHBondContact O-N 2.9Š|
| 111 | K | 47.8 | Very low | 53.8 | Low | 193 Ų | 193 | 121.7 Ų | 121.7 | 84% | 0.839 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 131.6 | 20.9 | 151.8 | -68.1 | -176.7 | -179 | -172.3 | 0 | 119 | ||
| 112 | M | 47.3 | Very low | 54.2 | Low | 90 Ų | 90 | 123.4 Ų | 123.4 | 44% | 0.443 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -142.7 | 142.3 | 160.9 | -139.8 | -169.1 | -66.8 | 0 | 0 | 106.1 | R114 K117 | M112-R114 PolarHBondContact O-N 3.47Å; M112-K117 HydrophobicContact CB-CD 3.93Å; M112-K117 HydrophobicContact CB-CG 3.62Å; M112-K117 HydrophobicContact CG-CG 4.37Å; M112-K117 VanDerWaalsContact N-CE 3.34Å; M112-K117 WeakPolarHBondContact O-CE 3.27Å; M112-K117 HydrophobicContact SD-CG 4.11Å |
| 113 | S | 57.3 | Low | 54.9 | Low | 77 Ų | 77 | 122.2 Ų | 122.2 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | trans | -54.8 | 129.8 | -177.2 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | K115 E116 K117 | S113-K115 PolarHBondContact O-N 3.02Å; S113-E116 WeakPolarHBondContact O-CB 3.36Å; S113-E116 PolarHBondContact O-N 3.01Å; S113-K117 PolarHBondContact O-N 2.8Å | ||
| 114 | R | 57.2 | Low | 55.7 | Low | 210 Ų | 210 | 121.9 Ų | 121.9 | 79% | 0.792 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -45.8 | -40 | -175 | -94.6 | -179.7 | 171.2 | 177.1 | -3.3 | 112.6 | M112 D118 | M112-R114 PolarHBondContact O-N 3.47Å; R114-D118 PolarHBondContact O-N 2.83Å; R114-D118 VanDerWaalsContact O-N 3.07Å |
| 115 | K | 57.8 | Low | 56.4 | Low | 173 Ų | 173 | 120 Ų | 120 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.4 | -40.9 | 178.4 | -68.2 | -171.5 | 173.5 | -171.1 | 0 | 113.7 | S113 D118 E119 | S113-K115 PolarHBondContact O-N 3.02Å; K115-D118 PolarHBondContact O-N 3.33Å; K115-E119 WeakPolarHBondContact O-CB 3.5Å; K115-E119 PolarHBondContact O-N 2.88Å |
| 116 | E | 62.3 | Low | 57.3 | Low | 92 Ų | 92 | 119 Ų | 119 | 43% | 0.43 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.7 | -32.7 | -177.6 | -134.8 | -178.9 | 146.4 | 0 | 0 | 111.8 | S113 R120 | S113-E116 WeakPolarHBondContact O-CB 3.36Å; S113-E116 PolarHBondContact O-N 3.01Å; E116-R120 VanDerWaalsContact O-CB 3.27Å; E116-R120 WeakPolarHBondContact O-CB 3.34Å; E116-R120 VanDerWaalsContact O-CG 3.3Å; E116-R120 WeakPolarHBondContact O-CG 3.43Å; E116-R120 PolarHBondContact O-N 2.69Å |
| 117 | K | 60.2 | Low | 58.3 | Low | 16 Ų | 16 | 116 Ų | 116 | 7% | 0.07 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -68.5 | -46.6 | 171.8 | -64.4 | -176.2 | 171.9 | -171.6 | 0 | 111.5 | D108 M112 S113 E119 R120 I121 | D108-K117 HydrophobicContact CB-CD 3.78Å; D108-K117 PolarHBondContact O-NZ 2.81Å; D108-K117 WeakPolarHBondContact OD1-CE 3.37Å; D108-K117 IonicContact OD1-NZ 2.66Å; D108-K117 PolarHBondContact OD1-NZ 3.06Å; D108-K117 WeakPolarHBondContact OD2-CD 3.33Å; D108-K117 WeakPolarHBondContact OD2-CE 3.46Å; D108-K117 IonicContact OD2-NZ 3.22Å; D108-K117 PolarHBondContact OD2-NZ 2.74Å; M112-K117 HydrophobicContact CB-CD 3.93Å; M112-K117 HydrophobicContact CB-CG 3.62Å; M112-K117 HydrophobicContact CG-CG 4.37Å; M112-K117 VanDerWaalsContact N-CE 3.34Å; M112-K117 WeakPolarHBondContact O-CE 3.27Å; M112-K117 HydrophobicContact SD-CG 4.11Å; S113-K117 PolarHBondContact O-N 2.8Å; K117-E119 VanDerWaalsContact C-N 3.32Å; K117-E119 PolarHBondContact O-N 2.96Å; K117-R120 CarbonylContact O-C 3.58Å; K117-R120 WeakPolarHBondContact O-CA 3.39Å; K117-R120 PolarHBondContact O-N 3.45Å; K117-R120 VanDerWaalsContact O-N 3.13Å; K117-I121 WeakPolarHBondContact O-CB 3.34Å; K117-I121 WeakPolarHBondContact O-CD1 3.4Å; K117-I121 WeakPolarHBondContact O-CG1 3.26Å; K117-I121 PolarHBondContact O-N 3.46Å |
| 118 | D | 60.5 | Low | 59.1 | Low | 76 Ų | 76 | 115.8 Ų | 115.8 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 179.6 | -75 | -24.3 | 0 | 0 | 0 | 110.9 | R114 K115 R120 I121 L122 | R114-D118 PolarHBondContact O-N 2.83Å; R114-D118 VanDerWaalsContact O-N 3.07Å; K115-D118 PolarHBondContact O-N 3.33Å; D118-R120 VanDerWaalsContact C-N 3.35Å; D118-R120 PolarHBondContact O-N 3.05Å; D118-I121 PolarHBondContact O-N 3.34Å; D118-I121 VanDerWaalsContact O-N 3.16Å; D118-L122 WeakPolarHBondContact O-CB 3.33Å; D118-L122 PolarHBondContact O-N 2.83Å |
| 119 | E | 65.4 | Low | 59.9 | Low | 140 Ų | 140 | 114 Ų | 114 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 173.2 | -164.8 | 171.8 | -166.8 | 0 | 0 | 111.3 | K115 K117 I121 L122 W123 | K115-E119 WeakPolarHBondContact O-CB 3.5Å; K115-E119 PolarHBondContact O-N 2.88Å; K117-E119 VanDerWaalsContact C-N 3.32Å; K117-E119 PolarHBondContact O-N 2.96Å; E119-I121 VanDerWaalsContact C-N 3.27Å; E119-I121 PolarHBondContact O-N 3.45Å; E119-L122 PolarHBondContact O-N 3.11Å; E119-W123 VanDerWaalsContact O-CD1 3.28Å; E119-W123 PolarHBondContact O-N 3.3Å |
| 120 | R | 64.9 | Low | 60.9 | Low | 140 Ų | 140 | 109.4 Ų | 109.4 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.8 | -20.1 | 174.4 | -79.2 | -170.4 | -167.6 | -105.1 | 3.4 | 114.5 | E116 K117 D118 W123 K124 | E116-R120 VanDerWaalsContact O-CB 3.27Å; E116-R120 WeakPolarHBondContact O-CB 3.34Å; E116-R120 VanDerWaalsContact O-CG 3.3Å; E116-R120 WeakPolarHBondContact O-CG 3.43Å; E116-R120 PolarHBondContact O-N 2.69Å; K117-R120 CarbonylContact O-C 3.58Å; K117-R120 WeakPolarHBondContact O-CA 3.39Å; K117-R120 PolarHBondContact O-N 3.45Å; K117-R120 VanDerWaalsContact O-N 3.13Å; D118-R120 VanDerWaalsContact C-N 3.35Å; D118-R120 PolarHBondContact O-N 3.05Å; R120-W123 VanDerWaalsContact C-NE1 3.26Å; R120-W123 PolarHBondContact O-NE1 3.36Å; R120-K124 WeakPolarHBondContact O-CB 3.46Å |
| 121 | I | 64.1 | Low | 61.8 | Low | 55 Ų | 55 | 106.9 Ų | 106.9 | 28% | 0.282 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -88 | -35.4 | 174.7 | -70.9 | 164.1 | 0 | 0 | 0 | 109.2 | K117 D118 E119 K125 | K117-I121 WeakPolarHBondContact O-CB 3.34Å; K117-I121 WeakPolarHBondContact O-CD1 3.4Å; K117-I121 WeakPolarHBondContact O-CG1 3.26Å; K117-I121 PolarHBondContact O-N 3.46Å; D118-I121 PolarHBondContact O-N 3.34Å; D118-I121 VanDerWaalsContact O-N 3.16Å; E119-I121 VanDerWaalsContact C-N 3.27Å; E119-I121 PolarHBondContact O-N 3.45Å; I121-K125 HydrophobicContact CG2-CD 3.96Å; I121-K125 VanDerWaalsContact CG2-CE 3.41Å; I121-K125 HydrophobicContact CG2-CG 4.5Å; I121-K125 WeakPolarHBondContact O-CB 3.48Å; I121-K125 VanDerWaalsContact O-CG 3.26Å; I121-K125 WeakPolarHBondContact O-CG 3.21Å; I121-K125 PolarHBondContact O-N 2.45Å |
| 122 | L | 60.9 | Low | 62.7 | Low | 129 Ų | 129 | 102.4 Ų | 102.4 | 68% | 0.675 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.3 | -49.3 | 178.4 | -139.6 | 99.6 | 0 | 0 | 0 | 111.8 | D118 E119 K124 K125 N126 | D118-L122 WeakPolarHBondContact O-CB 3.33Å; D118-L122 PolarHBondContact O-N 2.83Å; E119-L122 PolarHBondContact O-N 3.11Å; L122-K124 VanDerWaalsContact C-N 3.32Å; L122-K124 PolarHBondContact O-N 3.42Å; L122-K125 PolarHBondContact O-N 3.42Å; L122-N126 WeakPolarHBondContact O-CB 3.35Å; L122-N126 PolarHBondContact O-N 2.93Å |
| 123 | W | 64.4 | Low | 63.6 | Low | 125 Ų | 125 | 99 Ų | 99 | 47% | 0.473 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 178.4 | 80.5 | -64.3 | 0 | 0 | 0 | 111.6 | E119 R120 N126 E127 | E119-W123 VanDerWaalsContact O-CD1 3.28Å; E119-W123 PolarHBondContact O-N 3.3Å; R120-W123 VanDerWaalsContact C-NE1 3.26Å; R120-W123 PolarHBondContact O-NE1 3.36Å; W123-N126 PolarHBondContact O-N 3.48Å; W123-E127 WeakPolarHBondContact CZ3-OE2 3.46Å; W123-E127 WeakPolarHBondContact O-CB 3.5Å; W123-E127 PolarHBondContact O-N 3.42Å |
| 124 | K | 65.8 | Low | 64.1 | Low | 122 Ų | 122 | 96 Ų | 96 | 53% | 0.53 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.8 | -34.3 | -178.6 | -162.2 | 129.6 | -176.1 | 175.6 | 0 | 111.6 | R120 L122 V128 | R120-K124 WeakPolarHBondContact O-CB 3.46Å; L122-K124 VanDerWaalsContact C-N 3.32Å; L122-K124 PolarHBondContact O-N 3.42Å; K124-V128 WeakPolarHBondContact O-CB 3.48Å; K124-V128 WeakPolarHBondContact O-CG2 3.45Å; K124-V128 PolarHBondContact O-N 2.81Å |
| 125 | K | 63.6 | Low | 64.9 | Low | 60 Ų | 60 | 89 Ų | 89 | 26% | 0.261 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 170.7 | -78.4 | 174.3 | -174.2 | 160.1 | 0 | 111.6 | V100 I121 L122 A129 | V100-K125 VanDerWaalsContact CB-NZ 3.32Å; V100-K125 HydrophobicContact CG2-CD 3.68Å; I121-K125 HydrophobicContact CG2-CD 3.96Å; I121-K125 VanDerWaalsContact CG2-CE 3.41Å; I121-K125 HydrophobicContact CG2-CG 4.5Å; I121-K125 WeakPolarHBondContact O-CB 3.48Å; I121-K125 VanDerWaalsContact O-CG 3.26Å; I121-K125 WeakPolarHBondContact O-CG 3.21Å; I121-K125 PolarHBondContact O-N 2.45Å; L122-K125 PolarHBondContact O-N 3.42Å; K125-A129 VanDerWaalsContact O-CB 3.24Å; K125-A129 WeakPolarHBondContact O-CB 3.07Å; K125-A129 PolarHBondContact O-N 3.34Å |
| 126 | N | 66.6 | Low | 65.6 | Low | 80 Ų | 80 | 86.3 Ų | 86.3 | 43% | 0.428 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 177.6 | -158.6 | 22.3 | 0 | 0 | 0 | 110.9 | L122 W123 A129 D130 | L122-N126 WeakPolarHBondContact O-CB 3.35Å; L122-N126 PolarHBondContact O-N 2.93Å; W123-N126 PolarHBondContact O-N 3.48Å; N126-A129 PolarHBondContact O-N 3.47Å; N126-D130 WeakPolarHBondContact O-CB 3.43Å; N126-D130 PolarHBondContact O-N 2.9Å |
| 127 | E | 69 | Low | 65.9 | Low | 106 Ų | 106 | 81.9 Ų | 81.9 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 177.2 | -173.1 | 178.7 | -164.9 | 0 | 0 | 112.4 | W123 D130 Y131 | W123-E127 WeakPolarHBondContact CZ3-OE2 3.46Å; W123-E127 WeakPolarHBondContact O-CB 3.5Å; W123-E127 PolarHBondContact O-N 3.42Å; E127-D130 PolarHBondContact O-N 3.46Å; E127-Y131 WeakPolarHBondContact O-CB 3.29Å; E127-Y131 PolarHBondContact O-N 2.78Å |
| 128 | V | 65.6 | Low | 66.7 | Low | 73 Ų | 73 | 82.1 Ų | 82.1 | 44% | 0.442 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 177 | 171.8 | 0 | 0 | 0 | 0 | 111 | K124 Y131 E132 | K124-V128 WeakPolarHBondContact O-CB 3.48Å; K124-V128 WeakPolarHBondContact O-CG2 3.45Å; K124-V128 PolarHBondContact O-N 2.81Å; V128-Y131 PolarHBondContact O-N 3.49Å; V128-E132 HydrophobicContact CG1-CG 4.41Å; V128-E132 WeakPolarHBondContact O-CB 3.3Å; V128-E132 WeakPolarHBondContact O-CG 3.28Å; V128-E132 PolarHBondContact O-N 2.85Å |
| 129 | A | 62.7 | Low | 67.5 | Low | 54 Ų | 54 | 85 Ų | 85 | 45% | 0.446 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K125 N126 A133 | K125-A129 VanDerWaalsContact O-CB 3.24Å; K125-A129 WeakPolarHBondContact O-CB 3.07Å; K125-A129 PolarHBondContact O-N 3.34Å; N126-A129 PolarHBondContact O-N 3.47Å; A129-A133 WeakPolarHBondContact O-CB 3.12Å; A129-A133 PolarHBondContact O-N 3.42Å |
| 130 | D | 65.8 | Low | 68 | Low | 63 Ų | 63 | 83.9 Ų | 83.9 | 34% | 0.337 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 176 | -105.8 | -27 | 0 | 0 | 0 | 111.9 | K81 N126 E127 T134 | K81-D130 IonicContact NZ-OD1 3.54Å; N126-D130 WeakPolarHBondContact O-CB 3.43Å; N126-D130 PolarHBondContact O-N 2.9Å; E127-D130 PolarHBondContact O-N 3.46Å; D130-T134 WeakPolarHBondContact O-CB 3.36Å; D130-T134 PolarHBondContact O-N 2.93Å; D130-T134 PolarHBondContact O-OG1 3.45Å |
| 131 | Y | 68.6 | Low | 68.6 | Low | 170 Ų | 170 | 77.4 Ų | 77.4 | 67% | 0.667 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.2 | -47.3 | 177.9 | -175.8 | -98.6 | 0 | 0 | 0 | 112.2 | E127 V128 T134 T135 | E127-Y131 WeakPolarHBondContact O-CB 3.29Å; E127-Y131 PolarHBondContact O-N 2.78Å; V128-Y131 PolarHBondContact O-N 3.49Å; Y131-T134 PolarHBondContact O-N 3.07Å; Y131-T135 WeakPolarHBondContact O-CB 3.2Å; Y131-T135 PolarHBondContact O-N 3.27Å; Y131-T135 PolarHBondContact O-OG1 2.67Å |
| 132 | E | 67.4 | Low | 69.6 | Low | 100 Ų | 100 | 76.1 Ų | 76.1 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 176.9 | -74.6 | -171.9 | -176.3 | 0 | 0 | 111.3 | R92 V128 T134 T135 F136 | R92-E132 IonicContact NH2-OE2 3.75Å; V128-E132 HydrophobicContact CG1-CG 4.41Å; V128-E132 WeakPolarHBondContact O-CB 3.3Å; V128-E132 WeakPolarHBondContact O-CG 3.28Å; V128-E132 PolarHBondContact O-N 2.85Å; E132-T134 VanDerWaalsContact C-N 3.35Å; E132-T134 PolarHBondContact O-N 3.46Å; E132-T135 PolarHBondContact O-N 3.31Å; E132-F136 WeakPolarHBondContact O-CB 3.38Å; E132-F136 PolarHBondContact O-N 3.26Å |
| 133 | A | 65.4 | Low | 70.5 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A129 S137 | A129-A133 WeakPolarHBondContact O-CB 3.12Å; A129-A133 PolarHBondContact O-N 3.42Å; A133-S137 VanDerWaalsContact O-CB 3.27Å; A133-S137 WeakPolarHBondContact O-CB 3.19Å; A133-S137 PolarHBondContact O-N 3.27Å; A133-S137 PolarHBondContact O-OG 2.9Å |
| 134 | T | 69.1 | Low | 71.3 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 9% | 0.086 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 176.6 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | F32 K81 D130 Y131 E132 S137 I138 | F32-T134 HydrophobicContact CD1-CG2 4.42Å; F32-T134 HydrophobicContact CE1-CG2 3.47Å; F32-T134 VanDerWaalsContact CE1-CG2 3.47Å; F32-T134 HydrophobicContact CZ-CG2 3.78Å; K81-T134 PolarHBondContact NZ-OG1 3Å; K81-T134 VanDerWaalsContact NZ-OG1 3.1Å; D130-T134 WeakPolarHBondContact O-CB 3.36Å; D130-T134 PolarHBondContact O-N 2.93Å; D130-T134 PolarHBondContact O-OG1 3.45Å; Y131-T134 PolarHBondContact O-N 3.07Å; E132-T134 VanDerWaalsContact C-N 3.35Å; E132-T134 PolarHBondContact O-N 3.46Å; T134-S137 PolarHBondContact O-N 2.86Å; T134-I138 HydrophobicContact CG2-CD1 4.02Å; T134-I138 VanDerWaalsContact O-CG1 3.29Å; T134-I138 WeakPolarHBondContact O-CG1 3.43Å; T134-I138 PolarHBondContact O-N 3.3Å |
| 135 | T | 74.3 | Confident | 72.2 | Confident | 65 Ų | 65 | 62.9 Ų | 62.9 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | -179.9 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | Y131 E132 S137 I138 F139 | Y131-T135 WeakPolarHBondContact O-CB 3.2Å; Y131-T135 PolarHBondContact O-N 3.27Å; Y131-T135 PolarHBondContact O-OG1 2.67Å; E132-T135 PolarHBondContact O-N 3.31Å; T135-S137 PolarHBondContact O-N 3.32Å; T135-I138 PolarHBondContact O-N 2.9Å; T135-F139 WeakPolarHBondContact O-CB 3.29Å; T135-F139 PolarHBondContact O-N 2.9Å |
| 136 | F | 72.1 | Confident | 73.3 | Confident | 115 Ų | 115 | 62.2 Ų | 62.2 | 50% | 0.504 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 178.7 | -172.5 | -84.1 | 0 | 0 | 0 | 111.9 | L84 E132 I138 F139 Y140 | L84-F136 HydrophobicContact CD2-CD1 3.23Å; L84-F136 HydrophobicContact CD2-CE1 3.57Å; L84-F136 HydrophobicContact CD2-CG 4.27Å; E132-F136 WeakPolarHBondContact O-CB 3.38Å; E132-F136 PolarHBondContact O-N 3.26Å; F136-I138 VanDerWaalsContact C-N 3.32Å; F136-I138 PolarHBondContact O-N 3.01Å; F136-F139 PolarHBondContact O-N 3.06Å; F136-Y140 WeakPolarHBondContact O-CB 3.27Å; F136-Y140 PolarHBondContact O-N 2.88Å |
| 137 | S | 66.9 | Low | 74.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -38 | 178.5 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | A133 T134 T135 N141 | A133-S137 VanDerWaalsContact O-CB 3.27Å; A133-S137 WeakPolarHBondContact O-CB 3.19Å; A133-S137 PolarHBondContact O-N 3.27Å; A133-S137 PolarHBondContact O-OG 2.9Å; T134-S137 PolarHBondContact O-N 2.86Å; T135-S137 PolarHBondContact O-N 3.32Å; S137-N141 WeakPolarHBondContact O-CB 3.46Å; S137-N141 PolarHBondContact O-N 2.89Å; S137-N141 PolarHBondContact O-ND2 3.44Å |
| 138 | I | 78.3 | Confident | 74.9 | Confident | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.108 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.5 | -51.8 | 174.8 | -68.2 | 165 | 0 | 0 | 0 | 109.8 | F32 N35 T134 T135 F136 Y140 N142 | F32-I138 HydrophobicContact CD1-CD1 3.92Å; F32-I138 HydrophobicContact CD1-CG1 3.77Å; F32-I138 HydrophobicContact CE1-CD1 3.93Å; F32-I138 HydrophobicContact CE1-CG1 3.77Å; N35-I138 HydrophobicContact CB-CG2 4.05Å; T134-I138 HydrophobicContact CG2-CD1 4.02Å; T134-I138 VanDerWaalsContact O-CG1 3.29Å; T134-I138 WeakPolarHBondContact O-CG1 3.43Å; T134-I138 PolarHBondContact O-N 3.3Å; T135-I138 PolarHBondContact O-N 2.9Å; F136-I138 VanDerWaalsContact C-N 3.32Å; F136-I138 PolarHBondContact O-N 3.01Å; I138-Y140 PolarHBondContact O-N 3.25Å; I138-N142 WeakPolarHBondContact CG2-ND2 3.5Å; I138-N142 WeakPolarHBondContact O-CB 3.36Å; I138-N142 PolarHBondContact O-N 2.97Å; I138-N142 PolarHBondContact O-ND2 3.03Å; I138-N142 PolarHBondContact O-OD1 3.42Å |
| 139 | F | 77.9 | Confident | 75.9 | Confident | 137 Ų | 137 | 55.6 Ų | 55.6 | 60% | 0.601 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.4 | -46.9 | -176.4 | 179.5 | -100.5 | 0 | 0 | 0 | 112.9 | T135 F136 N142 T143 | T135-F139 WeakPolarHBondContact O-CB 3.29Å; T135-F139 PolarHBondContact O-N 2.9Å; F136-F139 PolarHBondContact O-N 3.06Å; F139-N142 PolarHBondContact O-N 2.88Å; F139-T143 WeakPolarHBondContact O-CB 3.45Å; F139-T143 PolarHBondContact O-N 3.31Å; F139-T143 PolarHBondContact O-OG1 3.42Å |
| 140 | Y | 74 | Confident | 77.2 | Confident | 115 Ų | 115 | 56.5 Ų | 56.5 | 45% | 0.451 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -50.6 | -178.5 | 179.3 | -98.2 | 0 | 0 | 0 | 111.6 | F136 I138 N142 T143 L144 | F136-Y140 WeakPolarHBondContact O-CB 3.27Å; F136-Y140 PolarHBondContact O-N 2.88Å; I138-Y140 PolarHBondContact O-N 3.25Å; Y140-N142 PolarHBondContact O-N 2.82Å; Y140-T143 PolarHBondContact O-N 3.49Å; Y140-L144 HydrophobicContact CE1-CD1 3.88Å; Y140-L144 HydrophobicContact CE2-CD1 4.42Å; Y140-L144 WeakPolarHBondContact O-CB 3.39Å; Y140-L144 PolarHBondContact O-N 2.89Å |
| 141 | N | 78.3 | Confident | 78.1 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 179.6 | -77 | -58 | 0 | 0 | 0 | 112.3 | Y77 V80 S137 F145 | Y77-N141 HydrophobicContact CD1-CB 3.4Å; Y77-N141 VanDerWaalsContact CD1-CB 3.4Å; Y77-N141 HydrophobicContact CE1-CB 3.37Å; V80-N141 VanDerWaalsContact CB-ND2 3.34Å; V80-N141 WeakPolarHBondContact CB-ND2 3.26Å; V80-N141 WeakPolarHBondContact CG2-ND2 3.37Å; V80-N141 WeakPolarHBondContact CG2-OD1 3.37Å; S137-N141 WeakPolarHBondContact O-CB 3.46Å; S137-N141 PolarHBondContact O-N 2.89Å; S137-N141 PolarHBondContact O-ND2 3.44Å; N141-F145 VanDerWaalsContact O-CB 3.26Å; N141-F145 WeakPolarHBondContact O-CB 3.43Å; N141-F145 PolarHBondContact O-N 2.95Å |
| 142 | N | 84.6 | Confident | 78.9 | Confident | 28 Ų | 28 | 49.5 Ų | 49.5 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 174.5 | -76.6 | -5.6 | 0 | 0 | 0 | 112.2 | V39 Y77 I138 F139 Y140 L144 F145 L146 | V39-N142 WeakPolarHBondContact CG1-OD1 3.38Å; V39-N142 HydrophobicContact CG2-CB 4.03Å; Y77-N142 VanDerWaalsContact CZ-OD1 3.32Å; Y77-N142 PolarHBondContact OH-OD1 2.95Å; I138-N142 WeakPolarHBondContact CG2-ND2 3.5Å; I138-N142 WeakPolarHBondContact O-CB 3.36Å; I138-N142 PolarHBondContact O-N 2.97Å; I138-N142 PolarHBondContact O-ND2 3.03Å; I138-N142 PolarHBondContact O-OD1 3.42Å; F139-N142 PolarHBondContact O-N 2.88Å; Y140-N142 PolarHBondContact O-N 2.82Å; N142-L144 VanDerWaalsContact C-N 3.33Å; N142-L144 PolarHBondContact O-N 3.2Å; N142-F145 PolarHBondContact O-N 3.27Å; N142-L146 WeakPolarHBondContact O-CG 3.23Å; N142-L146 PolarHBondContact O-N 2.91Å |
| 143 | T | 81.1 | Confident | 79.8 | Confident | 61 Ų | 61 | 44.8 Ų | 44.8 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 179.7 | -56.5 | 0 | 0 | 0 | 0 | 110 | F139 Y140 F145 L146 V147 | F139-T143 WeakPolarHBondContact O-CB 3.45Å; F139-T143 PolarHBondContact O-N 3.31Å; F139-T143 PolarHBondContact O-OG1 3.42Å; Y140-T143 PolarHBondContact O-N 3.49Å; T143-F145 VanDerWaalsContact C-N 3.33Å; T143-F145 PolarHBondContact O-N 2.96Å; T143-L146 PolarHBondContact O-N 3.36Å; T143-V147 HydrophobicContact CG2-CG2 4.38Å; T143-V147 WeakPolarHBondContact O-CB 3.36Å; T143-V147 VanDerWaalsContact O-CG2 3.23Å; T143-V147 WeakPolarHBondContact O-CG2 3.35Å; T143-V147 PolarHBondContact O-N 3.43Å |
| 144 | L | 80.7 | Confident | 80.7 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 20% | 0.199 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 179.8 | -152.1 | 146.6 | 0 | 0 | 0 | 111.5 | Y140 N142 L148 I177 L180 | Y140-L144 HydrophobicContact CE1-CD1 3.88Å; Y140-L144 HydrophobicContact CE2-CD1 4.42Å; Y140-L144 WeakPolarHBondContact O-CB 3.39Å; Y140-L144 PolarHBondContact O-N 2.89Å; N142-L144 VanDerWaalsContact C-N 3.33Å; N142-L144 PolarHBondContact O-N 3.2Å; L144-L148 HydrophobicContact CD2-CD1 3.49Å; L144-L148 VanDerWaalsContact CD2-CD1 3.49Å; L144-L148 HydrophobicContact CD2-CG 4Å; L144-L148 WeakPolarHBondContact O-CB 3.31Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 2.94Å; L144-I177 HydrophobicContact CB-CD1 4.38Å; L144-I177 HydrophobicContact CD2-CD1 3.88Å; L144-I177 HydrophobicContact CD2-CG1 3.47Å; L144-I177 VanDerWaalsContact CD2-CG1 3.47Å; L144-L180 HydrophobicContact CD2-CD1 4.1Å |
| 145 | F | 84.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -52.8 | 175 | 178.6 | -106.7 | 0 | 0 | 0 | 112.4 | V39 P43 S69 V73 N141 N142 T143 V147 L148 V149 I170 I177 | V39-F145 HydrophobicContact CG2-CD1 4.05Å; P43-F145 HydrophobicContact CG-CE1 3.86Å; P43-F145 HydrophobicContact CG-CZ 4.18Å; S69-F145 WeakPolarHBondContact OG-CZ 3.23Å; V73-F145 HydrophobicContact CG2-CD2 3.97Å; V73-F145 HydrophobicContact CG2-CE2 4.2Å; V73-F145 HydrophobicContact CG2-CG 4.28Å; N141-F145 VanDerWaalsContact O-CB 3.26Å; N141-F145 WeakPolarHBondContact O-CB 3.43Å; N141-F145 PolarHBondContact O-N 2.95Å; N142-F145 PolarHBondContact O-N 3.27Å; T143-F145 VanDerWaalsContact C-N 3.33Å; T143-F145 PolarHBondContact O-N 2.96Å; F145-V147 VanDerWaalsContact C-N 3.35Å; F145-V147 PolarHBondContact O-N 3.4Å; F145-L148 PolarHBondContact O-N 3.4Å; F145-V149 HydrophobicContact CD1-CG2 4.42Å; F145-V149 HydrophobicContact CD2-CG2 4.1Å; F145-V149 HydrophobicContact CE1-CG2 4.08Å; F145-V149 HydrophobicContact CE2-CG2 3.72Å; F145-V149 HydrophobicContact CG-CG2 4.45Å; F145-V149 HydrophobicContact CZ-CG2 3.72Å; F145-V149 WeakPolarHBondContact O-CB 3.4Å; F145-V149 VanDerWaalsContact O-CG2 3.28Å; F145-V149 WeakPolarHBondContact O-CG2 3.46Å; F145-V149 PolarHBondContact O-N 3.5Å; F145-I170 HydrophobicContact CZ-CD1 4.18Å; F145-I177 HydrophobicContact CB-CD1 3.38Å; F145-I177 HydrophobicContact CD2-CD1 3.97Å; F145-I177 HydrophobicContact CG-CD1 4.17Å |
| 146 | L | 86.4 | Confident | 81.9 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | -178.1 | -66.9 | 174.3 | 0 | 0 | 0 | 111.5 | V39 I42 N142 T143 V149 I150 | V39-L146 HydrophobicContact CG2-CD1 4.22Å; V39-L146 HydrophobicContact CG2-CD2 4.18Å; V39-L146 HydrophobicContact CG2-CG 4.07Å; I42-L146 HydrophobicContact CB-CD2 4.16Å; I42-L146 HydrophobicContact CD1-CD1 4.25Å; I42-L146 HydrophobicContact CD1-CD2 4.31Å; I42-L146 HydrophobicContact CG2-CD2 3.95Å; N142-L146 WeakPolarHBondContact O-CG 3.23Å; N142-L146 PolarHBondContact O-N 2.91Å; T143-L146 PolarHBondContact O-N 3.36Å; L146-V149 PolarHBondContact O-N 3.12Å; L146-I150 WeakPolarHBondContact O-CB 3.49Å; L146-I150 WeakPolarHBondContact O-CD1 3.34Å; L146-I150 WeakPolarHBondContact O-CG1 3.14Å; L146-I150 PolarHBondContact O-N 3.5Å |
| 147 | V | 85.7 | Confident | 82.6 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 44% | 0.442 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 176.9 | 170.1 | 0 | 0 | 0 | 0 | 111 | T143 F145 V149 I150 I151 | T143-V147 HydrophobicContact CG2-CG2 4.38Å; T143-V147 WeakPolarHBondContact O-CB 3.36Å; T143-V147 VanDerWaalsContact O-CG2 3.23Å; T143-V147 WeakPolarHBondContact O-CG2 3.35Å; T143-V147 PolarHBondContact O-N 3.43Å; F145-V147 VanDerWaalsContact C-N 3.35Å; F145-V147 PolarHBondContact O-N 3.4Å; V147-V149 PolarHBondContact O-N 3.39Å; V147-I150 PolarHBondContact O-N 3.45Å; V147-I151 HydrophobicContact CG1-CD1 3.7Å; V147-I151 HydrophobicContact CG1-CG1 4.44Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.17Å; V147-I151 PolarHBondContact O-N 3.3Å |
| 148 | L | 83.9 | Confident | 83.3 | Confident | 44 Ų | 44 | 58 Ų | 58 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 177.5 | -73.8 | -178.6 | 0 | 0 | 0 | 112 | L144 F145 I150 I151 A152 S173 L176 I177 | L144-L148 HydrophobicContact CD2-CD1 3.49Å; L144-L148 VanDerWaalsContact CD2-CD1 3.49Å; L144-L148 HydrophobicContact CD2-CG 4Å; L144-L148 WeakPolarHBondContact O-CB 3.31Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 2.94Å; F145-L148 PolarHBondContact O-N 3.4Å; L148-I150 VanDerWaalsContact C-N 3.34Å; L148-I150 PolarHBondContact O-N 2.96Å; L148-I151 PolarHBondContact O-N 3.15Å; L148-A152 WeakPolarHBondContact O-CB 3.17Å; L148-A152 PolarHBondContact O-N 2.96Å; L148-S173 VanDerWaalsContact C-OG 3.26Å; L148-S173 PolarHBondContact O-OG 3.11Å; L148-L176 HydrophobicContact CD1-CB 4.08Å; L148-L176 HydrophobicContact CD1-CD1 4.39Å; L148-I177 HydrophobicContact CD1-CD1 4.18Å; L148-I177 HydrophobicContact CD1-CG1 3.93Å |
| 149 | V | 86.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.9 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | P43 F145 L146 V147 S153 I170 S173 | P43-V149 HydrophobicContact CB-CG1 4.17Å; P43-V149 HydrophobicContact CG-CG1 4.15Å; F145-V149 HydrophobicContact CD1-CG2 4.42Å; F145-V149 HydrophobicContact CD2-CG2 4.1Å; F145-V149 HydrophobicContact CE1-CG2 4.08Å; F145-V149 HydrophobicContact CE2-CG2 3.72Å; F145-V149 HydrophobicContact CG-CG2 4.45Å; F145-V149 HydrophobicContact CZ-CG2 3.72Å; F145-V149 WeakPolarHBondContact O-CB 3.4Å; F145-V149 VanDerWaalsContact O-CG2 3.28Å; F145-V149 WeakPolarHBondContact O-CG2 3.46Å; F145-V149 PolarHBondContact O-N 3.5Å; L146-V149 PolarHBondContact O-N 3.12Å; V147-V149 PolarHBondContact O-N 3.39Å; V149-S153 WeakPolarHBondContact O-CB 3.49Å; V149-S153 PolarHBondContact O-N 2.79Å; V149-I170 HydrophobicContact CG1-CD1 4.38Å; V149-I170 HydrophobicContact CG2-CD1 4.22Å; V149-S173 WeakPolarHBondContact CA-OG 3.44Å; V149-S173 VanDerWaalsContact CG2-CB 3.48Å; V149-S173 WeakPolarHBondContact CG2-OG 3.44Å; V149-S173 PolarHBondContact N-OG 2.85Å; V149-S173 VanDerWaalsContact N-OG 3.16Å |
| 150 | I | 88.1 | Confident | 83.9 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 178 | -68.4 | 165 | 0 | 0 | 0 | 110.4 | L46 L146 V147 L148 A152 S153 F154 | L46-I150 HydrophobicContact CD1-CG1 4.49Å; L146-I150 WeakPolarHBondContact O-CB 3.49Å; L146-I150 WeakPolarHBondContact O-CD1 3.34Å; L146-I150 WeakPolarHBondContact O-CG1 3.14Å; L146-I150 PolarHBondContact O-N 3.5Å; V147-I150 PolarHBondContact O-N 3.45Å; L148-I150 VanDerWaalsContact C-N 3.34Å; L148-I150 PolarHBondContact O-N 2.96Å; I150-A152 PolarHBondContact O-N 2.82Å; I150-S153 PolarHBondContact O-N 2.84Å; I150-F154 HydrophobicContact CG2-CD2 4.04Å; I150-F154 WeakPolarHBondContact O-CB 3.32Å; I150-F154 VanDerWaalsContact O-CD2 3.31Å; I150-F154 WeakPolarHBondContact O-CD2 3.21Å; I150-F154 PolarHBondContact O-N 3.4Å |
| 151 | I | 86.6 | Confident | 84.5 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 179.4 | -67.9 | 170.9 | 0 | 0 | 0 | 110.7 | V147 L148 F155 L156 | V147-I151 HydrophobicContact CG1-CD1 3.7Å; V147-I151 HydrophobicContact CG1-CG1 4.44Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.17Å; V147-I151 PolarHBondContact O-N 3.3Å; L148-I151 PolarHBondContact O-N 3.15Å; I151-F155 WeakPolarHBondContact O-CB 3.46Å; I151-F155 PolarHBondContact O-N 2.99Å; I151-L156 PolarHBondContact O-N 2.81Å |
| 152 | A | 84.4 | Confident | 84.8 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 7% | 0.074 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -60.2 | -50.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L148 I150 L156 L157 | L148-A152 WeakPolarHBondContact O-CB 3.17Å; L148-A152 PolarHBondContact O-N 2.96Å; I150-A152 PolarHBondContact O-N 2.82Å; A152-L156 WeakPolarHBondContact O-CB 3.37Å; A152-L156 PolarHBondContact O-N 3.1Å; A152-L157 HydrophobicContact CB-CD1 4.17Å; A152-L157 WeakPolarHBondContact O-CB 3.44Å; A152-L157 WeakPolarHBondContact O-CD1 3.16Å; A152-L157 PolarHBondContact O-N 3.47Å |
| 153 | S | 85.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -71.5 | -43.3 | -173.1 | -176.1 | 0 | 0 | 0 | 0 | 113.5 | F47 W51 V149 I150 N165 S169 | F47-S153 WeakPolarHBondContact CZ-OG 3.37Å; W51-S153 WeakPolarHBondContact CZ2-O 3.22Å; W51-S153 PolarHBondContact NE1-OG 2.81Å; V149-S153 WeakPolarHBondContact O-CB 3.49Å; V149-S153 PolarHBondContact O-N 2.79Å; I150-S153 PolarHBondContact O-N 2.84Å; S153-N165 VanDerWaalsContact CA-OD1 3.28Å; S153-N165 WeakPolarHBondContact CA-OD1 3.28Å; S153-N165 WeakPolarHBondContact CB-OD1 3.46Å; S153-N165 PolarHBondContact O-ND2 3.11Å; S153-N165 PolarHBondContact OG-OD1 3.36Å; S153-S169 WeakPolarHBondContact CA-OG 3.03Å; S153-S169 PolarHBondContact N-OG 3.43Å |
| 154 | F | 85.9 | Confident | 85.1 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -93.1 | -26.1 | -171.9 | -71.5 | -98.7 | 0 | 0 | 0 | 114.3 | I50 I150 K158 | I50-F154 HydrophobicContact CB-CZ 4.46Å; I50-F154 HydrophobicContact CD1-CE1 3.98Å; I50-F154 HydrophobicContact CD1-CZ 3.49Å; I50-F154 VanDerWaalsContact CD1-CZ 3.49Å; I50-F154 HydrophobicContact CG2-CE1 3.73Å; I50-F154 HydrophobicContact CG2-CZ 4Å; I150-F154 HydrophobicContact CG2-CD2 4.04Å; I150-F154 WeakPolarHBondContact O-CB 3.32Å; I150-F154 VanDerWaalsContact O-CD2 3.31Å; I150-F154 WeakPolarHBondContact O-CD2 3.21Å; I150-F154 PolarHBondContact O-N 3.4Å; F154-K158 WeakPolarHBondContact O-CB 3.4Å |
| 155 | F | 85.2 | Confident | 85.5 | Confident | 153 Ų | 153 | 62.3 Ų | 62.3 | 67% | 0.671 | 32% | 0.319 | S | S | * | . | I | π-helix | trans | -110.6 | -43.8 | -174.8 | -65.4 | -94.1 | 0 | 0 | 0 | 112.5 | I151 | I151-F155 WeakPolarHBondContact O-CB 3.46Å; I151-F155 PolarHBondContact O-N 2.99Å |
| 156 | L | 83.6 | Confident | 85.6 | Confident | 128 Ų | 128 | 62.3 Ų | 62.3 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | I | π-helix | trans | -84.8 | -48.3 | -177.6 | -62.2 | 176.9 | 0 | 0 | 0 | 112.5 | I151 A152 | I151-L156 PolarHBondContact O-N 2.81Å; A152-L156 WeakPolarHBondContact O-CB 3.37Å; A152-L156 PolarHBondContact O-N 3.1Å |
| 157 | L | 85.3 | Confident | 85.8 | Confident | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -101.6 | 15.3 | -170.7 | -70.8 | 128.7 | 0 | 0 | 0 | 113.6 | A152 N159 F160 N165 L168 S169 | A152-L157 HydrophobicContact CB-CD1 4.17Å; A152-L157 WeakPolarHBondContact O-CB 3.44Å; A152-L157 WeakPolarHBondContact O-CD1 3.16Å; A152-L157 PolarHBondContact O-N 3.47Å; L157-N159 PolarHBondContact O-N 3.1Å; L157-F160 HydrophobicContact CB-CD2 4.32Å; L157-F160 HydrophobicContact CD2-CB 4.47Å; L157-F160 HydrophobicContact CD2-CD2 4.04Å; L157-F160 HydrophobicContact CD2-CE2 4.47Å; L157-F160 HydrophobicContact CD2-CG 4.16Å; L157-F160 HydrophobicContact CG-CD2 4.47Å; L157-F160 WeakPolarHBondContact O-CB 3.18Å; L157-F160 PolarHBondContact O-N 3.42Å; L157-N165 HydrophobicContact CB-CB 4.14Å; L157-N165 PolarHBondContact O-ND2 3.46Å; L157-L168 HydrophobicContact CD1-CB 4.22Å; L157-L168 HydrophobicContact CD2-CB 3.85Å; L157-L168 HydrophobicContact CD2-CD1 3.56Å; L157-L168 HydrophobicContact CD2-CG 4.36Å; L157-S169 WeakPolarHBondContact CD1-OG 3.38Å |
| 158 | K | 82.6 | Confident | 85.9 | Confident | 120 Ų | 120 | 63.3 Ų | 63.3 | 52% | 0.522 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.8 | -172.3 | 76.4 | 176.1 | -173.6 | 176.5 | 0 | 115.6 | W51 F154 | W51-K158 HydrophobicContact CH2-CB 4.41Å; W51-K158 WeakPolarHBondContact CH2-O 3.28Å; F154-K158 WeakPolarHBondContact O-CB 3.4Å |
| 159 | N | 83.1 | Confident | 86.1 | Confident | 141 Ų | 141 | 61.2 Ų | 61.2 | 75% | 0.754 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -3.2 | -178.6 | -64 | -35.3 | 0 | 0 | 0 | 112.4 | L157 | L157-N159 PolarHBondContact O-N 3.1Š|
| 160 | F | 84.8 | Confident | 86.2 | Confident | 113 Ų | 113 | 61.2 Ų | 61.2 | 50% | 0.496 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -84.4 | 161.5 | -179.4 | -75.1 | -96.9 | 0 | 0 | 0 | 111.4 | L157 V164 | L157-F160 HydrophobicContact CB-CD2 4.32Å; L157-F160 HydrophobicContact CD2-CB 4.47Å; L157-F160 HydrophobicContact CD2-CD2 4.04Å; L157-F160 HydrophobicContact CD2-CE2 4.47Å; L157-F160 HydrophobicContact CD2-CG 4.16Å; L157-F160 HydrophobicContact CG-CD2 4.47Å; L157-F160 WeakPolarHBondContact O-CB 3.18Å; L157-F160 PolarHBondContact O-N 3.42Å; F160-V164 HydrophobicContact CD1-CG1 4.26Å |
| 161 | N | 86.4 | Confident | 86.2 | Confident | 95 Ų | 95 | 60 Ų | 60 | 51% | 0.508 | 31% | 0.309 | S | S | . | . | trans | -54.4 | 135.8 | 171.7 | -176.6 | -58.9 | 0 | 0 | 0 | 110.1 | T163 V164 N165 | N161-T163 PolarHBondContact O-N 3.02Å; N161-T163 VanDerWaalsContact O-N 3.11Å; N161-T163 WeakPolarHBondContact OD1-CB 3.1Å; N161-T163 PolarHBondContact OD1-N 3.5Å; N161-T163 PolarHBondContact OD1-OG1 2.65Å; N161-V164 HydrophobicContact CB-CB 4.4Å; N161-V164 HydrophobicContact CB-CG2 4.23Å; N161-V164 PolarHBondContact O-N 3.02Å; N161-N165 WeakPolarHBondContact O-CB 3.18Å; N161-N165 PolarHBondContact O-N 3.47Å | ||
| 162 | P | 84.8 | Confident | 86.2 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 24% | 0.24 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -47.6 | -39.5 | 179.4 | -31.6 | 35.8 | 0 | 0 | 0 | 114.9 | W51 M53 Y166 | W51-P162 HydrophobicContact CB-CB 4.17Å; W51-P162 HydrophobicContact CE3-CB 4.43Å; W51-P162 HydrophobicContact CE3-CG 4.08Å; M53-P162 HydrophobicContact CG-CB 3.42Å; M53-P162 VanDerWaalsContact CG-CB 3.42Å; M53-P162 HydrophobicContact SD-CB 3.75Å; P162-Y166 WeakPolarHBondContact O-CB 3.38Å; P162-Y166 PolarHBondContact O-N 2.9Å |
| 163 | T | 85.5 | Confident | 86.3 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.2 | -44.1 | 179.8 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | M53 L61 N161 Y166 I167 | M53-T163 PolarHBondContact SD-OG1 3.47Å; L61-T163 HydrophobicContact CD1-CG2 3.55Å; N161-T163 PolarHBondContact O-N 3.02Å; N161-T163 VanDerWaalsContact O-N 3.11Å; N161-T163 WeakPolarHBondContact OD1-CB 3.1Å; N161-T163 PolarHBondContact OD1-N 3.5Å; N161-T163 PolarHBondContact OD1-OG1 2.65Å; T163-Y166 PolarHBondContact O-N 2.95Å; T163-I167 HydrophobicContact CG2-CD1 4.28Å; T163-I167 WeakPolarHBondContact O-CG1 3.45Å; T163-I167 PolarHBondContact O-N 3.45Å; T163-I167 VanDerWaalsContact O-N 3.1Å |
| 164 | V | 86.9 | Confident | 86.2 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 38% | 0.376 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 177.9 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | F160 N161 Y166 I167 L168 | F160-V164 HydrophobicContact CD1-CG1 4.26Å; N161-V164 HydrophobicContact CB-CB 4.4Å; N161-V164 HydrophobicContact CB-CG2 4.23Å; N161-V164 PolarHBondContact O-N 3.02Å; V164-Y166 VanDerWaalsContact C-N 3.34Å; V164-Y166 PolarHBondContact O-N 3.5Å; V164-I167 PolarHBondContact O-N 3.08Å; V164-L168 HydrophobicContact CG1-CD1 3.64Å; V164-L168 HydrophobicContact CG1-CG 4.36Å; V164-L168 WeakPolarHBondContact O-CB 3.2Å; V164-L168 WeakPolarHBondContact O-CG 3.45Å; V164-L168 PolarHBondContact O-N 3.35Å |
| 165 | N | 90.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 174.5 | -176.8 | -29.2 | 0 | 0 | 0 | 110.7 | F47 W51 S153 L157 N161 S169 | F47-N165 HydrophobicContact CE1-CB 4.15Å; F47-N165 WeakPolarHBondContact CE1-OD1 3.3Å; F47-N165 WeakPolarHBondContact CZ-OD1 3.35Å; W51-N165 WeakPolarHBondContact CZ2-ND2 3.04Å; S153-N165 VanDerWaalsContact CA-OD1 3.28Å; S153-N165 WeakPolarHBondContact CA-OD1 3.28Å; S153-N165 WeakPolarHBondContact CB-OD1 3.46Å; S153-N165 PolarHBondContact O-ND2 3.11Å; S153-N165 PolarHBondContact OG-OD1 3.36Å; L157-N165 HydrophobicContact CB-CB 4.14Å; L157-N165 PolarHBondContact O-ND2 3.46Å; N161-N165 WeakPolarHBondContact O-CB 3.18Å; N161-N165 PolarHBondContact O-N 3.47Å; N165-S169 WeakPolarHBondContact O-CB 3.38Å; N165-S169 PolarHBondContact O-N 3.5Å; N165-S169 PolarHBondContact O-OG 3.16Å; N165-S169 PolarHBondContact OD1-OG 2.92Å |
| 166 | Y | 86.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -51.9 | 178.6 | -180 | -105 | 0 | 0 | 0 | 112.5 | P43 F47 M53 L61 Y62 M65 P162 T163 V164 L168 S169 I170 | P43-Y166 HydrophobicContact CB-CE2 4.45Å; F47-Y166 HydrophobicContact CB-CD2 4.11Å; F47-Y166 AromaticContact CD1-CD2 3.96Å; F47-Y166 HydrophobicContact CD1-CD2 3.96Å; F47-Y166 HydrophobicContact CD1-CG 4.29Å; F47-Y166 AromaticContact CD2-CD2 3.47Å; F47-Y166 HydrophobicContact CD2-CD2 3.47Å; F47-Y166 VanDerWaalsContact CD2-CD2 3.47Å; F47-Y166 HydrophobicContact CD2-CE2 4.12Å; F47-Y166 VanDerWaalsContact CE1-CA 3.42Å; F47-Y166 HydrophobicContact CE1-CD2 4.18Å; F47-Y166 HydrophobicContact CE1-CG 4.42Å; F47-Y166 AromaticContact CE2-CD2 3.71Å; F47-Y166 HydrophobicContact CE2-CD2 3.71Å; F47-Y166 HydrophobicContact CE2-CE2 4.49Å; F47-Y166 AromaticContact CG-CD2 3.56Å; F47-Y166 HydrophobicContact CG-CD2 3.56Å; F47-Y166 HydrophobicContact CG-CE2 4.42Å; F47-Y166 HydrophobicContact CG-CG 4.31Å; F47-Y166 HydrophobicContact CZ-CD2 4.04Å; M53-Y166 HydrophobicContact CE-CG 4.41Å; L61-Y166 HydrophobicContact CD2-CD1 3.39Å; L61-Y166 HydrophobicContact CD2-CE1 3.64Å; Y62-Y166 HydrophobicContact CD1-CD1 4.25Å; Y62-Y166 AromaticContact CD1-CE1 3.59Å; Y62-Y166 HydrophobicContact CD1-CE1 3.59Å; Y62-Y166 AromaticContact CD1-CE2 4Å; Y62-Y166 HydrophobicContact CD1-CE2 4Å; Y62-Y166 AromaticContact CD1-CZ 3.46Å; Y62-Y166 VanDerWaalsContact CD1-CZ 3.46Å; Y62-Y166 HydrophobicContact CE1-CD1 4.24Å; Y62-Y166 HydrophobicContact CE1-CD2 4.18Å; Y62-Y166 AromaticContact CE1-CE1 3.99Å; Y62-Y166 HydrophobicContact CE1-CE1 3.99Å; Y62-Y166 AromaticContact CE1-CE2 3.96Å; Y62-Y166 HydrophobicContact CE1-CE2 3.96Å; Y62-Y166 HydrophobicContact CE1-CG 4.31Å; Y62-Y166 AromaticContact CE1-CZ 3.87Å; M65-Y166 HydrophobicContact CB-CD1 4.49Å; M65-Y166 HydrophobicContact CB-CE1 3.53Å; M65-Y166 HydrophobicContact CG-CD1 4.25Å; M65-Y166 HydrophobicContact CG-CE1 3.71Å; P162-Y166 WeakPolarHBondContact O-CB 3.38Å; P162-Y166 PolarHBondContact O-N 2.9Å; T163-Y166 PolarHBondContact O-N 2.95Å; V164-Y166 VanDerWaalsContact C-N 3.34Å; V164-Y166 PolarHBondContact O-N 3.5Å; Y166-L168 PolarHBondContact O-N 3.36Å; Y166-S169 PolarHBondContact O-N 3.34Å; Y166-I170 HydrophobicContact CD2-CG1 3.89Å; Y166-I170 HydrophobicContact CE1-CG1 4.47Å; Y166-I170 HydrophobicContact CE2-CD1 4.02Å; Y166-I170 HydrophobicContact CE2-CG1 3.63Å; Y166-I170 HydrophobicContact CG-CG1 4.43Å; Y166-I170 WeakPolarHBondContact O-CB 3.41Å; Y166-I170 WeakPolarHBondContact O-CG1 3.49Å; Y166-I170 PolarHBondContact O-N 2.98Å |
| 167 | I | 89.1 | Confident | 85.8 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.6 | -48.4 | -178.6 | -66.7 | 165.1 | 0 | 0 | 0 | 110.7 | L61 M65 T163 V164 S171 | L61-I167 HydrophobicContact CD1-CD1 4.03Å; L61-I167 HydrophobicContact CD1-CG1 4.42Å; L61-I167 HydrophobicContact CD2-CG1 4.24Å; M65-I167 HydrophobicContact CE-CB 4.47Å; M65-I167 HydrophobicContact CE-CG2 4.24Å; M65-I167 WeakPolarHBondContact CE-O 3.38Å; M65-I167 HydrophobicContact SD-CG1 4.34Å; M65-I167 HydrophobicContact SD-CG2 4.25Å; T163-I167 HydrophobicContact CG2-CD1 4.28Å; T163-I167 WeakPolarHBondContact O-CG1 3.45Å; T163-I167 PolarHBondContact O-N 3.45Å; T163-I167 VanDerWaalsContact O-N 3.1Å; V164-I167 PolarHBondContact O-N 3.08Å; I167-S171 WeakPolarHBondContact O-CB 3.27Å; I167-S171 PolarHBondContact O-N 3.39Å; I167-S171 PolarHBondContact O-OG 3.48Å |
| 168 | L | 88.8 | Confident | 85.5 | Confident | 80 Ų | 80 | 46.2 Ų | 46.2 | 42% | 0.419 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.6 | -43.9 | -177.2 | -75.3 | 172.5 | 0 | 0 | 0 | 111.7 | L157 V164 Y166 I170 S171 A172 | L157-L168 HydrophobicContact CD1-CB 4.22Å; L157-L168 HydrophobicContact CD2-CB 3.85Å; L157-L168 HydrophobicContact CD2-CD1 3.56Å; L157-L168 HydrophobicContact CD2-CG 4.36Å; V164-L168 HydrophobicContact CG1-CD1 3.64Å; V164-L168 HydrophobicContact CG1-CG 4.36Å; V164-L168 WeakPolarHBondContact O-CB 3.2Å; V164-L168 WeakPolarHBondContact O-CG 3.45Å; V164-L168 PolarHBondContact O-N 3.35Å; Y166-L168 PolarHBondContact O-N 3.36Å; L168-I170 PolarHBondContact O-N 3.43Å; L168-S171 PolarHBondContact O-N 3.01Å; L168-A172 WeakPolarHBondContact O-CA 3.34Å; L168-A172 WeakPolarHBondContact O-CB 3.13Å; L168-A172 PolarHBondContact O-N 2.95Å |
| 169 | S | 88 | Confident | 85.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | -179.4 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | S153 L157 N165 Y166 S173 | S153-S169 WeakPolarHBondContact CA-OG 3.03Å; S153-S169 PolarHBondContact N-OG 3.43Å; L157-S169 WeakPolarHBondContact CD1-OG 3.38Å; N165-S169 WeakPolarHBondContact O-CB 3.38Å; N165-S169 PolarHBondContact O-N 3.5Å; N165-S169 PolarHBondContact O-OG 3.16Å; N165-S169 PolarHBondContact OD1-OG 2.92Å; Y166-S169 PolarHBondContact O-N 3.34Å; S169-S173 WeakPolarHBondContact O-CB 3.48Å; S169-S173 PolarHBondContact O-N 3.31Å; S169-S173 PolarHBondContact O-OG 2.94Å |
| 170 | I | 89.9 | Confident | 84.7 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.8 | -47.4 | 179 | -63.2 | -69.4 | 0 | 0 | 0 | 111 | P43 M65 F145 V149 Y166 L168 S174 | P43-I170 HydrophobicContact CB-CD1 3.42Å; P43-I170 VanDerWaalsContact CB-CD1 3.42Å; P43-I170 HydrophobicContact CG-CD1 3.62Å; M65-I170 HydrophobicContact CE-CB 3.78Å; M65-I170 HydrophobicContact CE-CG2 3.72Å; F145-I170 HydrophobicContact CZ-CD1 4.18Å; V149-I170 HydrophobicContact CG1-CD1 4.38Å; V149-I170 HydrophobicContact CG2-CD1 4.22Å; Y166-I170 HydrophobicContact CD2-CG1 3.89Å; Y166-I170 HydrophobicContact CE1-CG1 4.47Å; Y166-I170 HydrophobicContact CE2-CD1 4.02Å; Y166-I170 HydrophobicContact CE2-CG1 3.63Å; Y166-I170 HydrophobicContact CG-CG1 4.43Å; Y166-I170 WeakPolarHBondContact O-CB 3.41Å; Y166-I170 WeakPolarHBondContact O-CG1 3.49Å; Y166-I170 PolarHBondContact O-N 2.98Å; L168-I170 PolarHBondContact O-N 3.43Å; I170-S174 VanDerWaalsContact O-CB 3.29Å; I170-S174 WeakPolarHBondContact O-CB 3.28Å; I170-S174 PolarHBondContact O-N 3.38Å; I170-S174 PolarHBondContact O-OG 2.95Å |
| 171 | S | 87.9 | Confident | 83.9 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 179.5 | -63.8 | 0 | 0 | 0 | 0 | 112 | M65 I167 L168 S174 G175 | M65-S171 WeakPolarHBondContact CE-OG 3.44Å; I167-S171 WeakPolarHBondContact O-CB 3.27Å; I167-S171 PolarHBondContact O-N 3.39Å; I167-S171 PolarHBondContact O-OG 3.48Å; L168-S171 PolarHBondContact O-N 3.01Å; S171-S174 PolarHBondContact O-OG 2.8Å; S171-G175 WeakPolarHBondContact O-CA 3.47Å; S171-G175 PolarHBondContact O-N 3.4Å |
| 172 | A | 86.5 | Confident | 83 | Confident | 46 Ų | 46 | 39 Ų | 39 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L168 L176 | L168-A172 WeakPolarHBondContact O-CA 3.34Å; L168-A172 WeakPolarHBondContact O-CB 3.13Å; L168-A172 PolarHBondContact O-N 2.95Å; A172-L176 WeakPolarHBondContact O-CB 3.41Å; A172-L176 WeakPolarHBondContact O-CG 3.5Å; A172-L176 PolarHBondContact O-N 3.03Å |
| 173 | S | 85.1 | Confident | 81.6 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -44.1 | -178.3 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | L148 V149 S169 I177 | L148-S173 VanDerWaalsContact C-OG 3.26Å; L148-S173 PolarHBondContact O-OG 3.11Å; V149-S173 WeakPolarHBondContact CA-OG 3.44Å; V149-S173 VanDerWaalsContact CG2-CB 3.48Å; V149-S173 WeakPolarHBondContact CG2-OG 3.44Å; V149-S173 PolarHBondContact N-OG 2.85Å; V149-S173 VanDerWaalsContact N-OG 3.16Å; S169-S173 WeakPolarHBondContact O-CB 3.48Å; S169-S173 PolarHBondContact O-N 3.31Å; S169-S173 PolarHBondContact O-OG 2.94Å; S173-I177 WeakPolarHBondContact O-CB 3.31Å; S173-I177 WeakPolarHBondContact O-CD1 3.48Å; S173-I177 WeakPolarHBondContact O-CG1 3.36Å; S173-I177 PolarHBondContact O-N 2.98Å; S173-I177 VanDerWaalsContact O-N 3.1Å |
| 174 | S | 84.8 | Confident | 79.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 177.4 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | L72 I170 S171 I177 A178 | L72-S174 WeakPolarHBondContact CD1-OG 3.36Å; I170-S174 VanDerWaalsContact O-CB 3.29Å; I170-S174 WeakPolarHBondContact O-CB 3.28Å; I170-S174 PolarHBondContact O-N 3.38Å; I170-S174 PolarHBondContact O-OG 2.95Å; S171-S174 PolarHBondContact O-OG 2.8Å; S174-I177 PolarHBondContact O-N 2.99Å; S174-A178 WeakPolarHBondContact O-CB 3.23Å; S174-A178 PolarHBondContact O-N 3.48Å |
| 175 | G | 83.1 | Confident | 77.5 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | S171 I177 A178 L179 | S171-G175 WeakPolarHBondContact O-CA 3.47Å; S171-G175 PolarHBondContact O-N 3.4Å; G175-I177 VanDerWaalsContact C-N 3.3Å; G175-I177 PolarHBondContact O-N 2.85Å; G175-A178 PolarHBondContact O-N 2.96Å; G175-L179 WeakPolarHBondContact O-CB 3.42Å; G175-L179 VanDerWaalsContact O-CG 3.31Å; G175-L179 WeakPolarHBondContact O-CG 3.21Å; G175-L179 PolarHBondContact O-N 3.33Å |
| 176 | L | 81.7 | Confident | 76.9 | Confident | 82 Ų | 82 | 52.1 Ų | 52.1 | 43% | 0.429 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 175.8 | -78.3 | 170.6 | 0 | 0 | 0 | 111.4 | L148 A172 L179 L180 | L148-L176 HydrophobicContact CD1-CB 4.08Å; L148-L176 HydrophobicContact CD1-CD1 4.39Å; A172-L176 WeakPolarHBondContact O-CB 3.41Å; A172-L176 WeakPolarHBondContact O-CG 3.5Å; A172-L176 PolarHBondContact O-N 3.03Å; L176-L179 PolarHBondContact O-N 2.87Å; L176-L180 WeakPolarHBondContact O-CB 3.14Å; L176-L180 WeakPolarHBondContact O-CG 3.18Å; L176-L180 PolarHBondContact O-N 2.82Å |
| 177 | I | 81.2 | Confident | 76.3 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 178 | -72.4 | 171.1 | 0 | 0 | 0 | 111.7 | A76 L144 F145 L148 S173 S174 G175 L179 S181 | A76-I177 HydrophobicContact CB-CG2 3.45Å; A76-I177 VanDerWaalsContact CB-CG2 3.45Å; L144-I177 HydrophobicContact CB-CD1 4.38Å; L144-I177 HydrophobicContact CD2-CD1 3.88Å; L144-I177 HydrophobicContact CD2-CG1 3.47Å; L144-I177 VanDerWaalsContact CD2-CG1 3.47Å; F145-I177 HydrophobicContact CB-CD1 3.38Å; F145-I177 HydrophobicContact CD2-CD1 3.97Å; F145-I177 HydrophobicContact CG-CD1 4.17Å; L148-I177 HydrophobicContact CD1-CD1 4.18Å; L148-I177 HydrophobicContact CD1-CG1 3.93Å; S173-I177 WeakPolarHBondContact O-CB 3.31Å; S173-I177 WeakPolarHBondContact O-CD1 3.48Å; S173-I177 WeakPolarHBondContact O-CG1 3.36Å; S173-I177 PolarHBondContact O-N 2.98Å; S173-I177 VanDerWaalsContact O-N 3.1Å; S174-I177 PolarHBondContact O-N 2.99Å; G175-I177 VanDerWaalsContact C-N 3.3Å; G175-I177 PolarHBondContact O-N 2.85Å; I177-L179 VanDerWaalsContact C-N 3.31Å; I177-L179 PolarHBondContact O-N 3.42Å; I177-S181 WeakPolarHBondContact O-CB 3.31Å; I177-S181 PolarHBondContact O-N 2.96Å |
| 178 | A | 78.9 | Confident | 75.6 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L72 F75 S174 G175 T182 | L72-A178 HydrophobicContact CD2-CB 3.81Å; F75-A178 HydrophobicContact CD1-CB 4.2Å; S174-A178 WeakPolarHBondContact O-CB 3.23Å; S174-A178 PolarHBondContact O-N 3.48Å; G175-A178 PolarHBondContact O-N 2.96Å; A178-T182 PolarHBondContact O-N 3.18Å; A178-T182 PolarHBondContact O-OG1 3.06Å |
| 179 | L | 78.1 | Confident | 74.8 | Confident | 122 Ų | 122 | 53.1 Ų | 53.1 | 64% | 0.639 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.7 | -51.1 | 176.4 | -73.8 | 169.1 | 0 | 0 | 0 | 112.1 | G175 L176 I177 S181 T182 G183 | G175-L179 WeakPolarHBondContact O-CB 3.42Å; G175-L179 VanDerWaalsContact O-CG 3.31Å; G175-L179 WeakPolarHBondContact O-CG 3.21Å; G175-L179 PolarHBondContact O-N 3.33Å; L176-L179 PolarHBondContact O-N 2.87Å; I177-L179 VanDerWaalsContact C-N 3.31Å; I177-L179 PolarHBondContact O-N 3.42Å; L179-S181 PolarHBondContact O-N 3.49Å; L179-T182 CarbonylContact O-C 3.51Å; L179-T182 WeakPolarHBondContact O-CA 3.33Å; L179-T182 WeakPolarHBondContact O-CB 3.35Å; L179-T182 PolarHBondContact O-N 2.93Å; L179-G183 PolarHBondContact O-N 2.86Å |
| 180 | L | 70.3 | Confident | 74 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 56% | 0.56 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59 | -37 | 177 | -72.3 | 173.8 | 0 | 0 | 0 | 111.4 | L144 L176 T182 G183 | L144-L180 HydrophobicContact CD2-CD1 4.1Å; L176-L180 WeakPolarHBondContact O-CB 3.14Å; L176-L180 WeakPolarHBondContact O-CG 3.18Å; L176-L180 PolarHBondContact O-N 2.82Å; L180-T182 PolarHBondContact O-N 2.93Å; L180-G183 PolarHBondContact O-N 3.32Å |
| 181 | S | 67.7 | Low | 73 | Confident | 5 Ų | 5 | 60 Ų | 60 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.6 | -21.4 | 174.7 | -177.7 | 0 | 0 | 0 | 0 | 113.7 | A76 N79 V80 I177 L179 | A76-S181 PolarHBondContact O-OG 3.23Å; A76-S181 VanDerWaalsContact O-OG 3.06Å; N79-S181 WeakPolarHBondContact CB-OG 3.49Å; V80-S181 VanDerWaalsContact CG2-OG 3.25Å; V80-S181 WeakPolarHBondContact CG2-OG 3.46Å; V80-S181 PolarHBondContact N-OG 3.37Å; I177-S181 WeakPolarHBondContact O-CB 3.31Å; I177-S181 PolarHBondContact O-N 2.96Å; L179-S181 PolarHBondContact O-N 3.49Å |
| 182 | T | 68.1 | Low | 71.9 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 52% | 0.515 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -96.7 | -25.6 | 179.1 | -52 | 0 | 0 | 0 | 0 | 112 | A178 L179 L180 S184 | A178-T182 PolarHBondContact O-N 3.18Å; A178-T182 PolarHBondContact O-OG1 3.06Å; L179-T182 CarbonylContact O-C 3.51Å; L179-T182 WeakPolarHBondContact O-CA 3.33Å; L179-T182 WeakPolarHBondContact O-CB 3.35Å; L179-T182 PolarHBondContact O-N 2.93Å; L180-T182 PolarHBondContact O-N 2.93Å; T182-S184 PolarHBondContact O-N 3.01Å |
| 183 | G | 55.7 | Low | 70.8 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 64% | 0.639 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -81.3 | -5.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L179 L180 K185 | L179-G183 PolarHBondContact O-N 2.86Å; L180-G183 PolarHBondContact O-N 3.32Å; G183-K185 VanDerWaalsContact C-N 3.27Å; G183-K185 PolarHBondContact O-N 3.03Å |
| 184 | S | 50.2 | Low | 69.6 | Low | 48 Ų | 48 | 66.9 Ų | 66.9 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | trans | -87 | 68.1 | 177.7 | -144.4 | 0 | 0 | 0 | 0 | 110.5 | K87 T182 | K87-S184 PolarHBondContact NZ-OG 3.23Å; T182-S184 PolarHBondContact O-N 3.01Å | ||
| 185 | K | 35.3 | Very low | 68.2 | Low | 258 Ų | 258 | 72.9 Ų | 72.9 | 100% | 1.122 | 42% | 0.418 | S | S | * | . | trans | -78.2 | 0 | 161.3 | -82.6 | -172.3 | 177.1 | -176.2 | 0 | 110.4 | G183 | G183-K185 VanDerWaalsContact C-N 3.27Å; G183-K185 PolarHBondContact O-N 3.03Å |
Retrieved 185 of 185 residues in 106.9 ms
(Link to these results)