| 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 | 63.3 | Low | 85 | Confident | 202 Ų | 202 | 125.7 Ų | 125.7 | 100% | 0.995 | 62% | 0.622 | S | S | * | * | 0 | -44.6 | 0 | -108.3 | 175.7 | 162.2 | 0 | 0 | 112.8 | G3 K4 | M1-G3 PolarHBondContact O-N 2.85Å; M1-K4 PolarHBondContact O-N 2.82Å | |||
| 2 | F | 71.8 | Confident | 85.7 | Confident | 172 Ų | 172 | 122.8 Ų | 122.8 | 75% | 0.754 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -51.1 | -43.4 | -177.9 | -78.5 | -85 | 0 | 0 | 0 | 115.9 | K4 I5 Q6 | F2-K4 PolarHBondContact O-N 2.75Å; F2-I5 PolarHBondContact O-N 2.89Å; F2-Q6 PolarHBondContact O-N 3.49Å; F2-Q6 VanDerWaalsContact O-N 3.14Å |
| 3 | G | 80.7 | Confident | 86.3 | Confident | 38 Ų | 38 | 118 Ų | 118 | 39% | 0.392 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.3 | -34.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1 I5 Q6 I7 | M1-G3 PolarHBondContact O-N 2.85Å; G3-I5 VanDerWaalsContact C-N 3.34Å; G3-I5 PolarHBondContact O-N 2.75Å; G3-Q6 PolarHBondContact O-N 3Å; G3-I7 WeakPolarHBondContact O-CD1 3.49Å; G3-I7 VanDerWaalsContact O-CG1 3.28Å; G3-I7 WeakPolarHBondContact O-CG1 3.24Å; G3-I7 PolarHBondContact O-N 3.12Å |
| 4 | K | 84.5 | Confident | 86.8 | Confident | 175 Ų | 175 | 114.5 Ų | 114.5 | 76% | 0.761 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.7 | -37 | 178.4 | -66.6 | -173.8 | 179.4 | -176.2 | 0 | 111.6 | M1 F2 L8 | M1-K4 PolarHBondContact O-N 2.82Å; F2-K4 PolarHBondContact O-N 2.75Å; K4-L8 WeakPolarHBondContact O-CB 3.33Å; K4-L8 PolarHBondContact O-N 3.18Å |
| 5 | I | 88.7 | Confident | 87.2 | Confident | 95 Ų | 95 | 113 Ų | 113 | 49% | 0.487 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68 | -42.5 | 177.5 | -64.3 | 164.2 | 0 | 0 | 0 | 110 | F2 G3 I7 L8 I9 | F2-I5 PolarHBondContact O-N 2.89Å; G3-I5 VanDerWaalsContact C-N 3.34Å; G3-I5 PolarHBondContact O-N 2.75Å; I5-I7 PolarHBondContact O-N 3.16Å; I5-L8 PolarHBondContact O-N 2.97Å; I5-I9 HydrophobicContact CG2-CD1 3.89Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 2.82Å |
| 6 | Q | 86.5 | Confident | 87.5 | Confident | 135 Ų | 135 | 112.7 Ų | 112.7 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.6 | -43.9 | 176 | -71.4 | 175.7 | -33.6 | 0 | 0 | 112.3 | F2 G3 L8 I9 F10 | F2-Q6 PolarHBondContact O-N 3.49Å; F2-Q6 VanDerWaalsContact O-N 3.14Å; G3-Q6 PolarHBondContact O-N 3Å; Q6-L8 VanDerWaalsContact C-N 3.34Å; Q6-L8 PolarHBondContact O-N 3.49Å; Q6-I9 PolarHBondContact O-N 3.46Å; Q6-F10 WeakPolarHBondContact O-CB 3.42Å; Q6-F10 PolarHBondContact O-N 3.31Å |
| 7 | I | 90.2 | Very high | 87.7 | Confident | 119 Ų | 119 | 114.1 Ų | 114.1 | 61% | 0.61 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.3 | -42 | 176.1 | -67 | 163.5 | 0 | 0 | 0 | 110.9 | G3 I5 F10 L11 | G3-I7 WeakPolarHBondContact O-CD1 3.49Å; G3-I7 VanDerWaalsContact O-CG1 3.28Å; G3-I7 WeakPolarHBondContact O-CG1 3.24Å; G3-I7 PolarHBondContact O-N 3.12Å; I5-I7 PolarHBondContact O-N 3.16Å; I7-F10 PolarHBondContact O-N 3.49Å; I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 PolarHBondContact O-N 3.35Å |
| 8 | L | 91.6 | Very high | 87.9 | Confident | 103 Ų | 103 | 116.9 Ų | 116.9 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.4 | -44.9 | 177.7 | -178 | 66 | 0 | 0 | 0 | 111.9 | K4 I5 Q6 F10 L11 L12 | K4-L8 WeakPolarHBondContact O-CB 3.33Å; K4-L8 PolarHBondContact O-N 3.18Å; I5-L8 PolarHBondContact O-N 2.97Å; Q6-L8 VanDerWaalsContact C-N 3.34Å; Q6-L8 PolarHBondContact O-N 3.49Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 2.93Å; L8-L12 HydrophobicContact CG-CD1 4.26Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.16Å |
| 9 | I | 91.6 | Very high | 87.8 | Confident | 106 Ų | 106 | 113.6 Ų | 113.6 | 54% | 0.544 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.6 | -43.7 | 177.6 | -67.7 | 166.6 | 0 | 0 | 0 | 110.5 | I5 Q6 L11 L12 S13 | I5-I9 HydrophobicContact CG2-CD1 3.89Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 2.82Å; Q6-I9 PolarHBondContact O-N 3.46Å; I9-L11 PolarHBondContact O-N 2.92Å; I9-L12 PolarHBondContact O-N 3.38Å; I9-S13 WeakPolarHBondContact O-CB 3.28Å; I9-S13 PolarHBondContact O-N 2.89Å; I9-S13 PolarHBondContact O-OG 3.26Å |
| 10 | F | 92.6 | Very high | 87.6 | Confident | 141 Ų | 141 | 114 Ų | 114 | 62% | 0.618 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.5 | -44.9 | 176.8 | -176.5 | -99.6 | 0 | 0 | 0 | 111.8 | Q6 I7 L8 L12 S13 T14 | Q6-F10 WeakPolarHBondContact O-CB 3.42Å; Q6-F10 PolarHBondContact O-N 3.31Å; I7-F10 PolarHBondContact O-N 3.49Å; L8-F10 VanDerWaalsContact C-N 3.34Å; F10-L12 PolarHBondContact O-N 2.89Å; F10-S13 PolarHBondContact O-N 3.27Å; F10-S13 PolarHBondContact O-OG 3.25Å; F10-T14 PolarHBondContact O-N 2.9Å; F10-T14 PolarHBondContact O-OG1 2.86Å |
| 11 | L | 93.6 | Very high | 87.3 | Confident | 97 Ų | 97 | 112.1 Ų | 112.1 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.7 | -46.2 | 178.1 | -165.5 | 112 | 0 | 0 | 0 | 111.8 | I7 L8 I9 S13 T14 I15 | I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 PolarHBondContact O-N 3.35Å; L8-L11 PolarHBondContact O-N 2.93Å; I9-L11 PolarHBondContact O-N 2.92Å; L11-S13 PolarHBondContact O-N 2.92Å; L11-T14 PolarHBondContact O-N 3.29Å; L11-I15 HydrophobicContact CD2-CD1 3.82Å; L11-I15 HydrophobicContact CG-CD1 4.22Å; L11-I15 WeakPolarHBondContact O-CG1 3.4Å; L11-I15 PolarHBondContact O-N 2.86Å |
| 12 | L | 93.5 | Very high | 88 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 176.9 | -73.4 | 170.5 | 0 | 0 | 0 | 111.8 | L8 I9 F10 T14 I15 M16 | L8-L12 HydrophobicContact CG-CD1 4.26Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.16Å; I9-L12 PolarHBondContact O-N 3.38Å; F10-L12 PolarHBondContact O-N 2.89Å; L12-T14 VanDerWaalsContact C-N 3.31Å; L12-T14 PolarHBondContact O-N 2.88Å; L12-I15 PolarHBondContact O-N 2.77Å; L12-M16 VanDerWaalsContact O-CG 3.31Å; L12-M16 WeakPolarHBondContact O-CG 3.33Å; L12-M16 PolarHBondContact O-N 2.9Å |
| 13 | S | 93 | Very high | 88.2 | Confident | 61 Ų | 61 | 98.4 Ų | 98.4 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 177.9 | 72.8 | 0 | 0 | 0 | 0 | 112.4 | I9 F10 L11 M16 F17 | I9-S13 WeakPolarHBondContact O-CB 3.28Å; I9-S13 PolarHBondContact O-N 2.89Å; I9-S13 PolarHBondContact O-OG 3.26Å; F10-S13 PolarHBondContact O-N 3.27Å; F10-S13 PolarHBondContact O-OG 3.25Å; L11-S13 PolarHBondContact O-N 2.92Å; S13-M16 PolarHBondContact O-N 3.31Å; S13-F17 WeakPolarHBondContact O-CB 3.39Å; S13-F17 PolarHBondContact O-N 3.2Å |
| 14 | T | 92.9 | Very high | 87.7 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 42% | 0.423 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 178.1 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | F10 L11 L12 F17 Y18 | F10-T14 PolarHBondContact O-N 2.9Å; F10-T14 PolarHBondContact O-OG1 2.86Å; L11-T14 PolarHBondContact O-N 3.29Å; L12-T14 VanDerWaalsContact C-N 3.31Å; L12-T14 PolarHBondContact O-N 2.88Å; T14-F17 PolarHBondContact O-N 3.06Å; T14-Y18 WeakPolarHBondContact O-CB 3.44Å; T14-Y18 PolarHBondContact O-N 3.48Å |
| 15 | I | 93.3 | Very high | 86.7 | Confident | 92 Ų | 92 | 100.8 Ų | 100.8 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177 | -66.8 | 164.8 | 0 | 0 | 0 | 110.6 | L11 L12 Y18 S19 | L11-I15 HydrophobicContact CD2-CD1 3.82Å; L11-I15 HydrophobicContact CG-CD1 4.22Å; L11-I15 WeakPolarHBondContact O-CG1 3.4Å; L11-I15 PolarHBondContact O-N 2.86Å; L12-I15 PolarHBondContact O-N 2.77Å; I15-Y18 PolarHBondContact O-N 2.96Å; I15-S19 PolarHBondContact O-N 3Å; I15-S19 PolarHBondContact O-OG 2.97Å |
| 16 | M | 91.9 | Very high | 85.5 | Confident | 108 Ų | 108 | 100 Ų | 100 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 177.8 | -71.3 | -64.9 | 162.9 | 0 | 0 | 112.2 | L12 S13 S19 M20 | L12-M16 VanDerWaalsContact O-CG 3.31Å; L12-M16 WeakPolarHBondContact O-CG 3.33Å; L12-M16 PolarHBondContact O-N 2.9Å; S13-M16 PolarHBondContact O-N 3.31Å; M16-S19 PolarHBondContact O-N 3.3Å; M16-S19 PolarHBondContact O-OG 3.45Å; M16-M20 WeakPolarHBondContact O-CB 3.46Å; M16-M20 VanDerWaalsContact O-CG 3.3Å; M16-M20 WeakPolarHBondContact O-CG 2.84Å; M16-M20 PolarHBondContact O-N 3.1Å |
| 17 | F | 91.7 | Very high | 84.4 | Confident | 136 Ų | 136 | 99.6 Ų | 99.6 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -41.5 | 176.7 | -173.9 | -115.1 | 0 | 0 | 0 | 111.9 | S13 T14 Q21 | S13-F17 WeakPolarHBondContact O-CB 3.39Å; S13-F17 PolarHBondContact O-N 3.2Å; T14-F17 PolarHBondContact O-N 3.06Å; F17-Q21 HydrophobicContact CZ-CG 4.49Å; F17-Q21 WeakPolarHBondContact O-CG 3.46Å; F17-Q21 PolarHBondContact O-N 2.88Å |
| 18 | Y | 90.1 | Very high | 83 | Confident | 165 Ų | 165 | 96.7 Ų | 96.7 | 65% | 0.647 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 176.8 | -175.3 | -96.8 | 0 | 0 | 0 | 112.4 | T14 I15 Q21 T22 | T14-Y18 WeakPolarHBondContact O-CB 3.44Å; T14-Y18 PolarHBondContact O-N 3.48Å; I15-Y18 PolarHBondContact O-N 2.96Å; Y18-Q21 PolarHBondContact O-N 3.44Å; Y18-T22 WeakPolarHBondContact O-CB 3.48Å; Y18-T22 PolarHBondContact O-N 3.16Å; Y18-T22 PolarHBondContact O-OG1 3.15Å |
| 19 | S | 87.5 | Confident | 81.5 | Confident | 55 Ų | 55 | 96.5 Ų | 96.5 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 178.1 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | I15 M16 T22 A23 | I15-S19 PolarHBondContact O-N 3Å; I15-S19 PolarHBondContact O-OG 2.97Å; M16-S19 PolarHBondContact O-N 3.3Å; M16-S19 PolarHBondContact O-OG 3.45Å; S19-T22 PolarHBondContact O-N 3.31Å; S19-A23 WeakPolarHBondContact O-CB 3.49Å; S19-A23 PolarHBondContact O-N 3.26Å |
| 20 | M | 83.3 | Confident | 80.1 | Confident | 120 Ų | 120 | 94.4 Ų | 94.4 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.9 | -44.8 | 174.6 | -75.4 | -176.4 | 172.7 | 0 | 0 | 112.5 | M16 T22 A23 N24 | M16-M20 WeakPolarHBondContact O-CB 3.46Å; M16-M20 VanDerWaalsContact O-CG 3.3Å; M16-M20 WeakPolarHBondContact O-CG 2.84Å; M16-M20 PolarHBondContact O-N 3.1Å; M20-T22 VanDerWaalsContact C-N 3.3Å; M20-T22 PolarHBondContact O-N 2.94Å; M20-A23 PolarHBondContact O-N 3.44Å; M20-N24 WeakPolarHBondContact O-CB 3.46Å; M20-N24 VanDerWaalsContact O-CG 3.28Å; M20-N24 PolarHBondContact O-N 3.26Å; M20-N24 PolarHBondContact O-ND2 3.37Å |
| 21 | Q | 81.4 | Confident | 78.5 | Confident | 76 Ų | 76 | 91.8 Ų | 91.8 | 36% | 0.355 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.8 | -77.9 | -171.7 | 62.9 | 0 | 0 | 112.1 | F17 Y18 N24 K25 | F17-Q21 HydrophobicContact CZ-CG 4.49Å; F17-Q21 WeakPolarHBondContact O-CG 3.46Å; F17-Q21 PolarHBondContact O-N 2.88Å; Y18-Q21 PolarHBondContact O-N 3.44Å; Q21-N24 PolarHBondContact O-N 3.39Å; Q21-K25 WeakPolarHBondContact O-CB 3.4Å; Q21-K25 VanDerWaalsContact O-CG 3.3Å; Q21-K25 WeakPolarHBondContact O-CG 3.43Å; Q21-K25 PolarHBondContact O-N 3.36Å |
| 22 | T | 78 | Confident | 76.9 | Confident | 43 Ų | 43 | 93.9 Ų | 93.9 | 26% | 0.264 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 178.2 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | Y18 S19 M20 K25 I26 | Y18-T22 WeakPolarHBondContact O-CB 3.48Å; Y18-T22 PolarHBondContact O-N 3.16Å; Y18-T22 PolarHBondContact O-OG1 3.15Å; S19-T22 PolarHBondContact O-N 3.31Å; M20-T22 VanDerWaalsContact C-N 3.3Å; M20-T22 PolarHBondContact O-N 2.94Å; T22-K25 PolarHBondContact O-N 2.83Å; T22-I26 HydrophobicContact CG2-CD1 3.99Å; T22-I26 WeakPolarHBondContact O-CD1 3.4Å; T22-I26 WeakPolarHBondContact O-CG1 3.48Å; T22-I26 PolarHBondContact O-N 3.23Å |
| 23 | A | 74.8 | Confident | 75.4 | Confident | 43 Ų | 43 | 97.8 Ų | 97.8 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S19 M20 K25 I26 N27 | S19-A23 WeakPolarHBondContact O-CB 3.49Å; S19-A23 PolarHBondContact O-N 3.26Å; M20-A23 PolarHBondContact O-N 3.44Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 3.18Å; A23-I26 PolarHBondContact O-N 2.85Å; A23-N27 WeakPolarHBondContact O-CB 3.48Å; A23-N27 PolarHBondContact O-N 2.87Å |
| 24 | N | 71.1 | Confident | 74 | Confident | 110 Ų | 110 | 104.7 Ų | 104.7 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -38.5 | 176.8 | -72.9 | -17 | 0 | 0 | 0 | 111.9 | M20 Q21 N27 G28 | M20-N24 WeakPolarHBondContact O-CB 3.46Å; M20-N24 VanDerWaalsContact O-CG 3.28Å; M20-N24 PolarHBondContact O-N 3.26Å; M20-N24 PolarHBondContact O-ND2 3.37Å; Q21-N24 PolarHBondContact O-N 3.39Å; N24-N27 PolarHBondContact O-N 3.29Å; N24-G28 PolarHBondContact O-N 2.74Å |
| 25 | K | 64 | Low | 72.6 | Confident | 153 Ų | 153 | 108.9 Ų | 108.9 | 67% | 0.665 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 172.7 | -75.2 | 177 | -179.6 | 179.1 | 0 | 112.4 | Q21 T22 A23 | Q21-K25 WeakPolarHBondContact O-CB 3.4Å; Q21-K25 VanDerWaalsContact O-CG 3.3Å; Q21-K25 WeakPolarHBondContact O-CG 3.43Å; Q21-K25 PolarHBondContact O-N 3.36Å; T22-K25 PolarHBondContact O-N 2.83Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 3.18Å |
| 26 | I | 63.3 | Low | 71 | Confident | 77 Ų | 77 | 107.5 Ų | 107.5 | 40% | 0.395 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 176.6 | -69 | 164.8 | 0 | 0 | 0 | 111 | T22 A23 P30 | T22-I26 HydrophobicContact CG2-CD1 3.99Å; T22-I26 WeakPolarHBondContact O-CD1 3.4Å; T22-I26 WeakPolarHBondContact O-CG1 3.48Å; T22-I26 PolarHBondContact O-N 3.23Å; A23-I26 PolarHBondContact O-N 2.85Å; I26-P30 WeakPolarHBondContact O-CD 3.45Å |
| 27 | N | 62.6 | Low | 69.6 | Low | 128 Ų | 128 | 109.3 Ų | 109.3 | 68% | 0.684 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -74.8 | -33.3 | -178.2 | -73.2 | -13.7 | 0 | 0 | 0 | 113.1 | A23 N24 | A23-N27 WeakPolarHBondContact O-CB 3.48Å; A23-N27 PolarHBondContact O-N 2.87Å; N24-N27 PolarHBondContact O-N 3.29Å |
| 28 | G | 60.7 | Low | 68 | Low | 57 Ų | 57 | 106.3 Ų | 106.3 | 59% | 0.588 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.5 | -42.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N24 | N24-G28 PolarHBondContact O-N 2.74Å |
| 29 | E | 61.4 | Low | 66.2 | Low | 100 Ų | 100 | 103 Ų | 103 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | trans | -148.8 | 66.8 | -175.4 | -64.7 | -175.3 | 153.2 | 0 | 0 | 111.4 | M31 R32 R33 | E29-M31 PolarHBondContact O-N 3.34Å; E29-R32 HydrophobicContact CB-CB 3.85Å; E29-R32 PolarHBondContact O-N 2.89Å; E29-R32 IonicContact OE1-NH1 3.69Å; E29-R32 PolarHBondContact OE1-NH1 2.96Å; E29-R32 WeakPolarHBondContact OE2-CD 3.2Å; E29-R32 IonicContact OE2-CZ 2.87Å; E29-R32 IonicContact OE2-NE 3.68Å; E29-R32 IonicContact OE2-NH1 2.75Å; E29-R32 PolarHBondContact OE2-NH1 2.97Å; E29-R33 PolarHBondContact O-N 3.36Å | ||
| 30 | P | 62.4 | Low | 64.5 | Low | 62 Ų | 62 | 108 Ų | 108 | 40% | 0.403 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -56.1 | -43.9 | 179.7 | 21.7 | -31.4 | 0 | 0 | 0 | 110.2 | I26 R32 R33 W34 | I26-P30 WeakPolarHBondContact O-CD 3.45Å; P30-R32 PolarHBondContact O-N 3.17Å; P30-R33 PolarHBondContact O-N 3.46Å; P30-W34 PolarHBondContact O-N 2.88Å |
| 31 | M | 57.8 | Low | 63 | Low | 86 Ų | 86 | 105.2 Ų | 105.2 | 42% | 0.424 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.3 | -36.3 | -176.3 | -61.2 | -174.8 | 79.3 | 0 | 0 | 113.2 | E29 R33 W34 Y35 M70 | E29-M31 PolarHBondContact O-N 3.34Å; M31-R33 VanDerWaalsContact C-N 3.27Å; M31-R33 PolarHBondContact O-N 3.49Å; M31-W34 PolarHBondContact O-N 3.43Å; M31-Y35 WeakPolarHBondContact O-CB 3.3Å; M31-Y35 WeakPolarHBondContact O-CD2 3.3Å; M31-Y35 PolarHBondContact O-N 3.34Å; M31-M70 HydrophobicContact CE-CE 3.2Å; M31-M70 HydrophobicContact CE-CG 3.78Å; M31-M70 HydrophobicContact CE-SD 3.28Å; M31-M70 WeakPolarHBondContact CE-SD 3.31Å; M31-M70 HydrophobicContact SD-CG 4.17Å; M31-M70 HydrophobicContact SD-SD 4.28Å |
| 32 | R | 61.2 | Low | 61.6 | Low | 140 Ų | 140 | 107.2 Ų | 107.2 | 53% | 0.528 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.7 | -23.5 | 179.7 | -161.1 | -173.8 | 179.4 | 172.5 | -0.5 | 112.8 | E29 P30 Y35 | E29-R32 HydrophobicContact CB-CB 3.85Å; E29-R32 PolarHBondContact O-N 2.89Å; E29-R32 IonicContact OE1-NH1 3.69Å; E29-R32 PolarHBondContact OE1-NH1 2.96Å; E29-R32 WeakPolarHBondContact OE2-CD 3.2Å; E29-R32 IonicContact OE2-CZ 2.87Å; E29-R32 IonicContact OE2-NE 3.68Å; E29-R32 IonicContact OE2-NH1 2.75Å; E29-R32 PolarHBondContact OE2-NH1 2.97Å; P30-R32 PolarHBondContact O-N 3.17Å; R32-Y35 CarbonylContact O-C 3.44Å |
| 33 | R | 60.8 | Low | 60.5 | Low | 173 Ų | 173 | 115.8 Ų | 115.8 | 65% | 0.653 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -81 | -39.3 | 174.3 | -167 | 178.3 | -171.3 | -173.9 | 1.9 | 112.3 | E29 P30 M31 | E29-R33 PolarHBondContact O-N 3.36Å; P30-R33 PolarHBondContact O-N 3.46Å; M31-R33 VanDerWaalsContact C-N 3.27Å; M31-R33 PolarHBondContact O-N 3.49Å |
| 34 | W | 64.3 | Low | 59.3 | Low | 206 Ų | 206 | 122.7 Ų | 122.7 | 78% | 0.78 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.4 | -29.3 | 176.1 | -67.4 | 108.8 | 0 | 0 | 0 | 112.3 | P30 M31 | P30-W34 PolarHBondContact O-N 2.88Å; M31-W34 PolarHBondContact O-N 3.43Å |
| 35 | Y | 62.2 | Low | 58.3 | Low | 156 Ų | 156 | 120.7 Ų | 120.7 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -131 | 81.5 | 179.2 | -55 | -82.4 | 0 | 0 | 0 | 109.5 | M31 R32 L37 | M31-Y35 WeakPolarHBondContact O-CB 3.3Å; M31-Y35 WeakPolarHBondContact O-CD2 3.3Å; M31-Y35 PolarHBondContact O-N 3.34Å; R32-Y35 CarbonylContact O-C 3.44Å; Y35-L37 PolarHBondContact O-N 3.36Å |
| 36 | P | 61.4 | Low | 57.5 | Low | 64 Ų | 64 | 119 Ų | 119 | 42% | 0.416 | 62% | 0.623 | S | S | . | * | trans | -55.8 | 133.5 | 170.4 | -12.2 | 22.5 | 0 | 0 | 0 | 108.4 | G38 V39 | P36-G38 PolarHBondContact O-N 2.85Å; P36-V39 HydrophobicContact CB-CG2 4.1Å; P36-V39 HydrophobicContact CG-CG2 3.75Å; P36-V39 PolarHBondContact O-N 3.46Å | ||
| 37 | L | 62.2 | Low | 56.8 | Low | 146 Ų | 146 | 124.2 Ų | 124.2 | 76% | 0.764 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -0.2 | -179.8 | -70.2 | 162.3 | 0 | 0 | 0 | 114.9 | Y35 | Y35-L37 PolarHBondContact O-N 3.36Š|
| 38 | G | 57.2 | Low | 56 | Low | 73 Ų | 73 | 123.1 Ų | 123.1 | 75% | 0.753 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | 7.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P36 E40 | P36-G38 PolarHBondContact O-N 2.85Å; G38-E40 PolarHBondContact O-N 3.47Å |
| 39 | V | 53 | Low | 55 | Low | 94 Ų | 94 | 129.6 Ų | 129.6 | 57% | 0.57 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -86.1 | 100.1 | 167.2 | -176.8 | 0 | 0 | 0 | 0 | 106.1 | P36 A41 | P36-V39 HydrophobicContact CB-CG2 4.1Å; P36-V39 HydrophobicContact CG-CG2 3.75Å; P36-V39 PolarHBondContact O-N 3.46Å; V39-A41 PolarHBondContact O-N 3.04Å |
| 40 | E | 51.3 | Low | 54.4 | Low | 162 Ų | 162 | 128.1 Ų | 128.1 | 76% | 0.757 | 67% | 0.673 | S | S | * | * | trans | -38.5 | 115.4 | 165.8 | -69.4 | -176.4 | 164.7 | 0 | 0 | 107.7 | G38 P42 | G38-E40 PolarHBondContact O-N 3.47Å; E40-P42 VanDerWaalsContact O-N 3.08Å | ||
| 41 | A | 52.8 | Low | 53.7 | Low | 60 Ų | 60 | 132.4 Ų | 132.4 | 50% | 0.496 | 69% | 0.692 | S | S | . | * | trans | -46.9 | 125.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | V39 R43 | V39-A41 PolarHBondContact O-N 3.04Å; A41-R43 PolarHBondContact O-N 2.94Å | ||
| 42 | P | 50.9 | Low | 53.2 | Low | 118 Ų | 118 | 136.7 Ų | 136.7 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | trans | -53.5 | 114.8 | -175.1 | 18.3 | -28.8 | 0 | 0 | 0 | 107 | E40 K44 | E40-P42 VanDerWaalsContact O-N 3.08Å; P42-K44 PolarHBondContact O-N 2.98Å; P42-K44 VanDerWaalsContact O-N 3.15Å | ||
| 43 | R | 54.3 | Low | 52.6 | Low | 223 Ų | 223 | 135.5 Ų | 135.5 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | trans | -44.2 | 125.6 | 178.2 | -70 | -179.2 | -178.8 | -174.1 | 0.1 | 106.9 | A41 A45 | A41-R43 PolarHBondContact O-N 2.94Å; R43-A45 PolarHBondContact O-N 3.43Å | ||
| 44 | K | 51.6 | Low | 52 | Low | 189 Ų | 189 | 131.5 Ų | 131.5 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | trans | -23 | 123.5 | -179.2 | -72.2 | -178.7 | 173.4 | -172.9 | 0 | 111.1 | P42 S46 | P42-K44 PolarHBondContact O-N 2.98Å; P42-K44 VanDerWaalsContact O-N 3.15Å; K44-S46 PolarHBondContact O-N 3.34Å | ||
| 45 | A | 49.4 | Very low | 51.3 | Low | 67 Ų | 67 | 129.3 Ų | 129.3 | 55% | 0.554 | 73% | 0.727 | S | S | * | * | trans | -52.6 | 118 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | R43 F47 | R43-A45 PolarHBondContact O-N 3.43Å; A45-F47 HydrophobicContact CB-CD2 3.64Å; A45-F47 HydrophobicContact CB-CE2 3.34Å; A45-F47 HydrophobicContact CB-CZ 4.1Å; A45-F47 WeakPolarHBondContact O-CD2 3.43Å; A45-F47 PolarHBondContact O-N 3.25Å | ||
| 46 | S | 47.2 | Very low | 50.9 | Low | 117 Ų | 117 | 127.8 Ų | 127.8 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -68.1 | 77.5 | 174.3 | 53.5 | 0 | 0 | 0 | 0 | 108 | K44 S48 | K44-S46 PolarHBondContact O-N 3.34Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 2.93Å | ||
| 47 | F | 47.8 | Very low | 50.5 | Low | 188 Ų | 188 | 131.5 Ų | 131.5 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | trans | -73.3 | 96 | 168.2 | -75 | -75.2 | 0 | 0 | 0 | 107.1 | A45 Q49 | A45-F47 HydrophobicContact CB-CD2 3.64Å; A45-F47 HydrophobicContact CB-CE2 3.34Å; A45-F47 HydrophobicContact CB-CZ 4.1Å; A45-F47 WeakPolarHBondContact O-CD2 3.43Å; A45-F47 PolarHBondContact O-N 3.25Å; F47-Q49 PolarHBondContact O-N 2.8Å | ||
| 48 | S | 47 | Very low | 50.2 | Low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -63 | 111.4 | 162.7 | 55.4 | 0 | 0 | 0 | 0 | 108.3 | S46 | S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 2.93Å | ||
| 49 | Q | 39 | Very low | 50.1 | Low | 192 Ų | 192 | 131.4 Ų | 131.4 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 55.6 | 93.4 | 134.1 | -161.7 | 172.2 | 14.5 | 0 | 0 | 115.5 | F47 | F47-Q49 PolarHBondContact O-N 2.8Š|
| 50 | G | 48 | Very low | 50 | Low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | trans | -176.5 | -48.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 51 | D | 49.3 | Very low | 50.3 | Low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -113.3 | 121.6 | -165 | -78.4 | -37.4 | 0 | 0 | 0 | 113 | V53 | D51-V53 HydrophobicContact CB-CG2 4.4Å; D51-V53 PolarHBondContact O-N 3Å | ||
| 52 | N | 45.7 | Very low | 50.3 | Low | 175 Ų | 175 | 131.1 Ų | 131.1 | 94% | 0.936 | 72% | 0.718 | S | S | * | * | trans | -62.5 | 65.6 | 173 | -70.5 | -58.4 | 0 | 0 | 0 | 112 | ||||
| 53 | V | 49.8 | Very low | 50.6 | Low | 116 Ų | 116 | 132.2 Ų | 132.2 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | trans | -99 | 101.6 | 167.4 | -174 | 0 | 0 | 0 | 0 | 105.8 | D51 E55 | D51-V53 HydrophobicContact CB-CG2 4.4Å; D51-V53 PolarHBondContact O-N 3Å; V53-E55 PolarHBondContact O-N 2.9Å | ||
| 54 | A | 48 | Very low | 50.7 | Low | 88 Ų | 88 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -39.5 | 110.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | L56 | A54-L56 PolarHBondContact O-N 3.4Š| ||
| 55 | E | 48.8 | Very low | 51.2 | Low | 160 Ų | 160 | 127 Ų | 127 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | trans | -58 | 102.5 | -174.2 | -64.5 | 173.5 | 139.3 | 0 | 0 | 107.5 | V53 E57 | V53-E55 PolarHBondContact O-N 2.9Å; E55-E57 HydrophobicContact CB-CG 3.87Å; E55-E57 PolarHBondContact O-N 3.37Å | ||
| 56 | L | 54.2 | Low | 52.1 | Low | 124 Ų | 124 | 128 Ų | 128 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | trans | -69.7 | 72.8 | 158.6 | -121.6 | 67.2 | 0 | 0 | 0 | 105.5 | A54 F58 | A54-L56 PolarHBondContact O-N 3.4Å; L56-F58 HydrophobicContact CB-CD2 4.17Å; L56-F58 HydrophobicContact CB-CE2 3.91Å; L56-F58 HydrophobicContact CB-CZ 4.46Å; L56-F58 HydrophobicContact CD2-CD2 4.32Å; L56-F58 HydrophobicContact CD2-CE1 4.33Å; L56-F58 HydrophobicContact CD2-CE2 3.28Å; L56-F58 HydrophobicContact CD2-CZ 3.27Å; L56-F58 HydrophobicContact CG-CD2 4.32Å; L56-F58 HydrophobicContact CG-CE1 4.46Å; L56-F58 HydrophobicContact CG-CE2 3.69Å; L56-F58 HydrophobicContact CG-CZ 3.76Å; L56-F58 PolarHBondContact O-N 2.98Å | ||
| 57 | E | 52.4 | Low | 53.3 | Low | 143 Ų | 143 | 125.7 Ų | 125.7 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | trans | -65.8 | 80 | 165.4 | -68.6 | -161.4 | 135.6 | 0 | 0 | 107.1 | E55 P59 | E55-E57 HydrophobicContact CB-CG 3.87Å; E55-E57 PolarHBondContact O-N 3.37Å; E57-P59 WeakPolarHBondContact O-CD 3.45Å | ||
| 58 | F | 56.4 | Low | 54.7 | Low | 114 Ų | 114 | 122 Ų | 122 | 50% | 0.5 | 67% | 0.666 | S | S | . | * | trans | -68.6 | 121.2 | 164.1 | -69.7 | -70.7 | 0 | 0 | 0 | 107.2 | L56 Y60 V69 | L56-F58 HydrophobicContact CB-CD2 4.17Å; L56-F58 HydrophobicContact CB-CE2 3.91Å; L56-F58 HydrophobicContact CB-CZ 4.46Å; L56-F58 HydrophobicContact CD2-CD2 4.32Å; L56-F58 HydrophobicContact CD2-CE1 4.33Å; L56-F58 HydrophobicContact CD2-CE2 3.28Å; L56-F58 HydrophobicContact CD2-CZ 3.27Å; L56-F58 HydrophobicContact CG-CD2 4.32Å; L56-F58 HydrophobicContact CG-CE1 4.46Å; L56-F58 HydrophobicContact CG-CE2 3.69Å; L56-F58 HydrophobicContact CG-CZ 3.76Å; L56-F58 PolarHBondContact O-N 2.98Å; F58-Y60 PolarHBondContact O-N 3.05Å; F58-V69 HydrophobicContact CE1-CG2 4.1Å; F58-V69 HydrophobicContact CE2-CG2 3.96Å; F58-V69 HydrophobicContact CZ-CG2 3.7Å | ||
| 59 | P | 54.9 | Low | 56 | Low | 102 Ų | 102 | 119.8 Ų | 119.8 | 66% | 0.662 | 65% | 0.647 | S | S | * | * | trans | -60.3 | 114.4 | 174.4 | 23.5 | -30.6 | 0 | 0 | 0 | 107.9 | E57 N61 | E57-P59 WeakPolarHBondContact O-CD 3.45Å; P59-N61 PolarHBondContact O-N 3.34Å | ||
| 60 | Y | 52.3 | Low | 57.6 | Low | 156 Ų | 156 | 112.9 Ų | 112.9 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | trans | -69.7 | 85.1 | 169.7 | -175 | -99.7 | 0 | 0 | 0 | 107.7 | F58 G62 | F58-Y60 PolarHBondContact O-N 3.05Å; Y60-G62 PolarHBondContact O-N 3.47Å | ||
| 61 | N | 56.5 | Low | 59.1 | Low | 103 Ų | 103 | 115.2 Ų | 115.2 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | trans | -77.3 | 103.4 | 165.6 | -84.5 | -10.8 | 0 | 0 | 0 | 106.5 | P59 D63 Q64 | P59-N61 PolarHBondContact O-N 3.34Å; N61-D63 PolarHBondContact O-N 3.32Å; N61-Q64 PolarHBondContact O-N 2.96Å | ||
| 62 | G | 52.5 | Low | 60.4 | Low | 52 Ų | 52 | 116.4 Ų | 116.4 | 54% | 0.536 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -41.9 | 104.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y60 | Y60-G62 PolarHBondContact O-N 3.47Š|
| 63 | D | 58.6 | Low | 62 | Low | 140 Ų | 140 | 109.8 Ų | 109.8 | 75% | 0.749 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.1 | -5.4 | 176.9 | -52.4 | -25.8 | 0 | 0 | 0 | 117.8 | N61 | N61-D63 PolarHBondContact O-N 3.32Š|
| 64 | Q | 56 | Low | 63.4 | Low | 157 Ų | 157 | 106.9 Ų | 106.9 | 73% | 0.734 | 55% | 0.551 | S | S | * | * | trans | -112.2 | 84.2 | 177 | -71.2 | -173.8 | -13.6 | 0 | 0 | 112.1 | N61 D66 | N61-Q64 PolarHBondContact O-N 2.96Å; Q64-D66 PolarHBondContact O-N 3.36Å | ||
| 65 | Y | 61.3 | Low | 64.9 | Low | 146 Ų | 146 | 111.4 Ų | 111.4 | 57% | 0.573 | 55% | 0.549 | S | S | * | . | trans | -69.7 | 126.4 | 162.8 | -76.6 | -85.2 | 0 | 0 | 0 | 109.6 | S67 M70 | Y65-S67 PolarHBondContact O-N 3.47Å; Y65-S67 VanDerWaalsContact O-N 3.16Å; Y65-M70 HydrophobicContact CD1-CE 4.14Å | ||
| 66 | D | 68.3 | Low | 66.4 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | trans | -61.5 | 118.7 | 168.3 | -177 | -6.5 | 0 | 0 | 0 | 109.2 | Q64 E68 V69 M70 | Q64-D66 PolarHBondContact O-N 3.36Å; D66-E68 PolarHBondContact O-N 2.98Å; D66-E68 PolarHBondContact OD1-N 2.97Å; D66-V69 HydrophobicContact CB-CB 4.34Å; D66-V69 HydrophobicContact CB-CG2 3.95Å; D66-V69 PolarHBondContact O-N 2.85Å; D66-V69 VanDerWaalsContact O-N 3.16Å; D66-M70 PolarHBondContact O-N 3.01Å; D66-M70 VanDerWaalsContact O-N 3.12Å | ||
| 67 | S | 72.9 | Confident | 67.4 | Low | 69 Ų | 69 | 109 Ų | 109 | 48% | 0.483 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.4 | -29.6 | -178.4 | 73.5 | 0 | 0 | 0 | 0 | 112.6 | Y65 M70 K71 | Y65-S67 PolarHBondContact O-N 3.47Å; Y65-S67 VanDerWaalsContact O-N 3.16Å; S67-M70 PolarHBondContact O-N 3.27Å; S67-K71 WeakPolarHBondContact O-CB 3.38Å; S67-K71 VanDerWaalsContact O-CG 3.24Å; S67-K71 WeakPolarHBondContact O-CG 3.39Å; S67-K71 PolarHBondContact O-N 2.73Å |
| 68 | E | 75.9 | Confident | 68.6 | Low | 111 Ų | 111 | 112.2 Ų | 112.2 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.1 | -40.4 | 178.8 | -73.1 | -58.2 | 134.3 | 0 | 0 | 111.8 | D66 M70 K71 R72 | D66-E68 PolarHBondContact O-N 2.98Å; D66-E68 PolarHBondContact OD1-N 2.97Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.42Å; E68-K71 PolarHBondContact O-N 3.5Å; E68-K71 IonicContact OE1-NZ 3.29Å; E68-K71 PolarHBondContact OE1-NZ 3.36Å; E68-R72 WeakPolarHBondContact O-CB 3.49Å; E68-R72 PolarHBondContact O-N 2.98Å |
| 69 | V | 75.2 | Confident | 69.5 | Low | 58 Ų | 58 | 113.3 Ų | 113.3 | 35% | 0.352 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.7 | -42.4 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | F58 D66 R72 A73 | F58-V69 HydrophobicContact CE1-CG2 4.1Å; F58-V69 HydrophobicContact CE2-CG2 3.96Å; F58-V69 HydrophobicContact CZ-CG2 3.7Å; D66-V69 HydrophobicContact CB-CB 4.34Å; D66-V69 HydrophobicContact CB-CG2 3.95Å; D66-V69 PolarHBondContact O-N 2.85Å; D66-V69 VanDerWaalsContact O-N 3.16Å; V69-R72 PolarHBondContact O-N 2.99Å; V69-A73 WeakPolarHBondContact O-CB 3.44Å; V69-A73 PolarHBondContact O-N 3.48Å |
| 70 | M | 72.8 | Confident | 69.7 | Low | 46 Ų | 46 | 114.4 Ų | 114.4 | 23% | 0.227 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -63.7 | -45.8 | 176.6 | -173 | 54 | 55.4 | 0 | 0 | 112.1 | M31 Y65 D66 S67 E68 R72 A73 V74 | M31-M70 HydrophobicContact CE-CE 3.2Å; M31-M70 HydrophobicContact CE-CG 3.78Å; M31-M70 HydrophobicContact CE-SD 3.28Å; M31-M70 WeakPolarHBondContact CE-SD 3.31Å; M31-M70 HydrophobicContact SD-CG 4.17Å; M31-M70 HydrophobicContact SD-SD 4.28Å; Y65-M70 HydrophobicContact CD1-CE 4.14Å; D66-M70 PolarHBondContact O-N 3.01Å; D66-M70 VanDerWaalsContact O-N 3.12Å; S67-M70 PolarHBondContact O-N 3.27Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.42Å; M70-R72 VanDerWaalsContact C-N 3.29Å; M70-R72 PolarHBondContact O-N 3.32Å; M70-A73 PolarHBondContact O-N 3.36Å; M70-V74 HydrophobicContact CG-CG2 4.44Å; M70-V74 WeakPolarHBondContact O-CB 3.48Å; M70-V74 VanDerWaalsContact O-CG2 3.28Å; M70-V74 WeakPolarHBondContact O-CG2 3.46Å; M70-V74 PolarHBondContact O-N 3.14Å; M70-V74 HydrophobicContact SD-CG2 4.2Å |
| 71 | K | 78.4 | Confident | 70.6 | Confident | 118 Ų | 118 | 112.4 Ų | 112.4 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -58.9 | -41.8 | 175.1 | -74.6 | 171.5 | -163.5 | 168.1 | 0 | 111.6 | S67 E68 V74 R75 | S67-K71 WeakPolarHBondContact O-CB 3.38Å; S67-K71 VanDerWaalsContact O-CG 3.24Å; S67-K71 WeakPolarHBondContact O-CG 3.39Å; S67-K71 PolarHBondContact O-N 2.73Å; E68-K71 PolarHBondContact O-N 3.5Å; E68-K71 IonicContact OE1-NZ 3.29Å; E68-K71 PolarHBondContact OE1-NZ 3.36Å; K71-V74 PolarHBondContact O-N 3.38Å; K71-R75 WeakPolarHBondContact O-CB 3.32Å; K71-R75 PolarHBondContact O-N 3.47Å |
| 72 | R | 78 | Confident | 71.3 | Confident | 178 Ų | 178 | 112.8 Ų | 112.8 | 67% | 0.672 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.3 | -45.8 | 177.1 | -171.8 | 176.9 | -179.1 | -176 | -0.5 | 111.4 | E68 V69 M70 R75 L76 | E68-R72 WeakPolarHBondContact O-CB 3.49Å; E68-R72 PolarHBondContact O-N 2.98Å; V69-R72 PolarHBondContact O-N 2.99Å; M70-R72 VanDerWaalsContact C-N 3.29Å; M70-R72 PolarHBondContact O-N 3.32Å; R72-R75 PolarHBondContact O-N 2.94Å; R72-L76 HydrophobicContact CG-CD1 4.38Å; R72-L76 WeakPolarHBondContact O-CG 3.33Å; R72-L76 PolarHBondContact O-N 3.48Å |
| 73 | A | 79.2 | Confident | 72.4 | Confident | 36 Ų | 36 | 116.2 Ų | 116.2 | 30% | 0.298 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V69 M70 R75 L76 M77 | V69-A73 WeakPolarHBondContact O-CB 3.44Å; V69-A73 PolarHBondContact O-N 3.48Å; M70-A73 PolarHBondContact O-N 3.36Å; A73-R75 VanDerWaalsContact C-N 3.33Å; A73-R75 PolarHBondContact O-N 3.27Å; A73-L76 PolarHBondContact O-N 3.34Å; A73-M77 HydrophobicContact CB-CE 4.38Å; A73-M77 WeakPolarHBondContact O-CG 3.46Å; A73-M77 PolarHBondContact O-N 3.03Å |
| 74 | V | 78.2 | Confident | 73.2 | Confident | 55 Ų | 55 | 114.8 Ų | 114.8 | 33% | 0.333 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.3 | -39.5 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | M70 K71 M77 R78 | M70-V74 HydrophobicContact CG-CG2 4.44Å; M70-V74 WeakPolarHBondContact O-CB 3.48Å; M70-V74 VanDerWaalsContact O-CG2 3.28Å; M70-V74 WeakPolarHBondContact O-CG2 3.46Å; M70-V74 PolarHBondContact O-N 3.14Å; M70-V74 HydrophobicContact SD-CG2 4.2Å; K71-V74 PolarHBondContact O-N 3.38Å; V74-M77 HydrophobicContact CG2-CE 4.35Å; V74-R78 WeakPolarHBondContact O-CG 3.28Å; V74-R78 PolarHBondContact O-N 3.39Å; V74-R78 VanDerWaalsContact O-N 3.1Å |
| 75 | R | 80 | Confident | 74.3 | Confident | 183 Ų | 183 | 112.2 Ų | 112.2 | 69% | 0.691 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.8 | -43 | 175.2 | -180 | 179.3 | -91.4 | 179.5 | -6.6 | 111.4 | K71 R72 A73 R78 L79 | K71-R75 WeakPolarHBondContact O-CB 3.32Å; K71-R75 PolarHBondContact O-N 3.47Å; R72-R75 PolarHBondContact O-N 2.94Å; A73-R75 VanDerWaalsContact C-N 3.33Å; A73-R75 PolarHBondContact O-N 3.27Å; R75-R78 PolarHBondContact O-N 3.49Å; R75-L79 HydrophobicContact CG-CD1 4.33Å; R75-L79 WeakPolarHBondContact O-CG 3.48Å; R75-L79 PolarHBondContact O-N 3.25Å |
| 76 | L | 80.3 | Confident | 75.1 | Confident | 100 Ų | 100 | 109.9 Ų | 109.9 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.3 | -47 | 176.4 | -71 | 169.7 | 0 | 0 | 0 | 111.2 | R72 A73 R78 L79 G80 | R72-L76 HydrophobicContact CG-CD1 4.38Å; R72-L76 WeakPolarHBondContact O-CG 3.33Å; R72-L76 PolarHBondContact O-N 3.48Å; A73-L76 PolarHBondContact O-N 3.34Å; L76-R78 PolarHBondContact O-N 3.05Å; L76-R78 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 3.22Å; L76-G80 PolarHBondContact O-N 3.26Å |
| 77 | M | 75.6 | Confident | 75.6 | Confident | 134 Ų | 134 | 111.5 Ų | 111.5 | 66% | 0.66 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.2 | -27.4 | 176.1 | -74.4 | -172.7 | -85 | 0 | 0 | 113.9 | A73 V74 | A73-M77 HydrophobicContact CB-CE 4.38Å; A73-M77 WeakPolarHBondContact O-CG 3.46Å; A73-M77 PolarHBondContact O-N 3.03Å; V74-M77 HydrophobicContact CG2-CE 4.35Å |
| 78 | R | 76.9 | Confident | 75.8 | Confident | 211 Ų | 211 | 114.8 Ų | 114.8 | 80% | 0.796 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.7 | -21.6 | 174.9 | -76.6 | 178.1 | -179.5 | -172.9 | 1.4 | 113.6 | V74 R75 L76 | V74-R78 WeakPolarHBondContact O-CG 3.28Å; V74-R78 PolarHBondContact O-N 3.39Å; V74-R78 VanDerWaalsContact O-N 3.1Å; R75-R78 PolarHBondContact O-N 3.49Å; L76-R78 PolarHBondContact O-N 3.05Å; L76-R78 VanDerWaalsContact O-N 3.16Å |
| 79 | L | 75.9 | Confident | 75.8 | Confident | 137 Ų | 137 | 115.1 Ų | 115.1 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -85.9 | -14.8 | -179.1 | -70.4 | 169.3 | 0 | 0 | 0 | 112.8 | R75 L76 | R75-L79 HydrophobicContact CG-CD1 4.33Å; R75-L79 WeakPolarHBondContact O-CG 3.48Å; R75-L79 PolarHBondContact O-N 3.25Å; L76-L79 PolarHBondContact O-N 3.22Å |
| 80 | G | 59.5 | Low | 75.9 | Confident | 125 Ų | 125 | 120.3 Ų | 120.3 | 100% | 1.289 | 61% | 0.611 | S | S | * | * | trans | 84.5 | 0 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L76 | L76-G80 PolarHBondContact O-N 3.26Š|
Retrieved 80 of 80 residues in 19.8 ms
(Link to these results)