| 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 | 39.1 | Very low | 66.4 | Low | 245 Ų | 245 | 93.3 Ų | 93.3 | 100% | 1.207 | 53% | 0.531 | S | S | * | . | 0 | 118.2 | 0 | -132.7 | 174 | 173.4 | 0 | 0 | 106.9 | |||||
| 2 | L | 48.8 | Very low | 68.2 | Low | 160 Ų | 160 | 95.4 Ų | 95.4 | 84% | 0.838 | 52% | 0.524 | S | S | * | . | trans | 61.4 | 61.3 | -179.4 | -67.4 | 164.7 | 0 | 0 | 0 | 118.2 | ||||
| 3 | L | 55.9 | Low | 69.8 | Low | 31 Ų | 31 | 101.5 Ų | 101.5 | 16% | 0.162 | 54% | 0.535 | C | S | . | . | trans | -114.7 | 1.1 | 154.1 | -76.9 | 162.9 | 0 | 0 | 0 | 112.1 | A5 F30 V39 Q43 L44 W47 | L3-A5 PolarHBondContact O-N 3.31Å; L3-F30 HydrophobicContact CD2-CE1 4.46Å; L3-V39 HydrophobicContact CB-CG1 4.2Å; L3-V39 HydrophobicContact CD1-CG1 4.04Å; L3-V39 HydrophobicContact CD1-CG2 4.34Å; L3-Q43 WeakPolarHBondContact O-CG 3.47Å; L3-Q43 PolarHBondContact O-NE2 3.37Å; L3-L44 HydrophobicContact CD1-CD1 3.88Å; L3-W47 HydrophobicContact CD2-CD2 3.97Å; L3-W47 HydrophobicContact CD2-CG 3.66Å; L3-W47 VanDerWaalsContact CD2-NE1 3.26Å | ||
| 4 | V | 54.1 | Low | 71.2 | Confident | 132 Ų | 132 | 99.8 Ų | 99.8 | 80% | 0.8 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -86.7 | 107.9 | -174.8 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 5 | A | 54.9 | Low | 72.4 | Confident | 86 Ų | 86 | 93.1 Ų | 93.1 | 71% | 0.711 | 49% | 0.494 | S | S | * | . | trans | 53.4 | 54.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | L3 | L3-A5 PolarHBondContact O-N 3.31Š| ||
| 6 | P | 64.4 | Low | 73.5 | Confident | 39 Ų | 39 | 94.3 Ų | 94.3 | 25% | 0.253 | 50% | 0.496 | S | S | . | . | trans | -72.5 | 146.5 | 149.1 | 5.8 | 12.9 | 0 | 0 | 0 | 109.2 | D10 I11 W47 | P6-D10 HydrophobicContact CB-CB 3.61Å; P6-I11 HydrophobicContact CB-CG1 3.87Å; P6-I11 HydrophobicContact CG-CD1 4.38Å; P6-I11 HydrophobicContact CG-CG1 3.79Å; P6-W47 HydrophobicContact CG-CZ2 3.98Å | ||
| 7 | G | 75.1 | Confident | 74.6 | Confident | 38 Ų | 38 | 95.8 Ų | 95.8 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | trans | -58.7 | 159.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E9 D10 I11 | G7-E9 PolarHBondContact O-N 2.95Å; G7-E9 VanDerWaalsContact O-N 3.13Å; G7-D10 PolarHBondContact N-OD2 2.83Å; G7-D10 WeakPolarHBondContact O-CB 3.12Å; G7-D10 PolarHBondContact O-N 3.07Å; G7-I11 PolarHBondContact O-N 3.31Å | ||
| 8 | I | 80.5 | Confident | 75.4 | Confident | 87 Ų | 87 | 92 Ų | 92 | 45% | 0.446 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -52.7 | -38.8 | 179.1 | -67.7 | 169 | 0 | 0 | 0 | 110.7 | I11 R12 L46 | I8-I11 PolarHBondContact O-N 2.8Å; I8-R12 PolarHBondContact O-N 2.87Å; I8-L46 HydrophobicContact CG1-CD2 4.34Å |
| 9 | E | 84.7 | Confident | 76.3 | Confident | 119 Ų | 119 | 91.8 Ų | 91.8 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.8 | -36.2 | 178.9 | -82 | 47.4 | -128.2 | 0 | 0 | 112.5 | G7 R12 R13 | G7-E9 PolarHBondContact O-N 2.95Å; G7-E9 VanDerWaalsContact O-N 3.13Å; E9-R12 PolarHBondContact O-N 3.3Å; E9-R13 WeakPolarHBondContact O-CB 3.34Å; E9-R13 PolarHBondContact O-N 3.43Å |
| 10 | D | 87.1 | Confident | 76.9 | Confident | 87 Ų | 87 | 93.3 Ų | 93.3 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -42.6 | 175.6 | -64.3 | -40.8 | 0 | 0 | 0 | 110.6 | P6 G7 R12 R13 V14 | P6-D10 HydrophobicContact CB-CB 3.61Å; G7-D10 PolarHBondContact N-OD2 2.83Å; G7-D10 WeakPolarHBondContact O-CB 3.12Å; G7-D10 PolarHBondContact O-N 3.07Å; D10-R12 VanDerWaalsContact C-N 3.33Å; D10-R12 PolarHBondContact O-N 3.25Å; D10-R13 PolarHBondContact O-N 2.84Å; D10-V14 WeakPolarHBondContact O-CB 3.33Å; D10-V14 VanDerWaalsContact O-CG2 3.24Å; D10-V14 WeakPolarHBondContact O-CG2 3.37Å; D10-V14 PolarHBondContact O-N 3.12Å |
| 11 | I | 85.9 | Confident | 77.4 | Confident | 2 Ų | 2 | 93.3 Ų | 93.3 | 1% | 0.01 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -58 | -49 | 174.6 | -64.1 | 177.9 | 0 | 0 | 0 | 109.8 | P6 G7 I8 V14 A15 W47 H50 | P6-I11 HydrophobicContact CB-CG1 3.87Å; P6-I11 HydrophobicContact CG-CD1 4.38Å; P6-I11 HydrophobicContact CG-CG1 3.79Å; G7-I11 PolarHBondContact O-N 3.31Å; I8-I11 PolarHBondContact O-N 2.8Å; I11-V14 PolarHBondContact O-N 2.98Å; I11-A15 WeakPolarHBondContact O-CB 3.3Å; I11-A15 PolarHBondContact O-N 3.07Å; I11-W47 HydrophobicContact CB-CZ2 4.28Å; I11-W47 HydrophobicContact CG1-CD2 4.46Å; I11-W47 HydrophobicContact CG1-CZ2 3.84Å; I11-W47 HydrophobicContact CG2-CD2 3.63Å; I11-W47 HydrophobicContact CG2-CE3 3.77Å; I11-W47 HydrophobicContact CG2-CG 4.07Å; I11-W47 HydrophobicContact CG2-CH2 4.29Å; I11-W47 HydrophobicContact CG2-CZ2 4.18Å; I11-W47 HydrophobicContact CG2-CZ3 4.09Å; I11-H50 HydrophobicContact CG2-CB 3.99Å |
| 12 | R | 87.8 | Confident | 79.8 | Confident | 119 Ų | 119 | 83.5 Ų | 83.5 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.7 | -50.7 | 178.6 | -174.9 | -172.7 | -63.2 | -165.8 | 2.7 | 111.3 | I8 E9 D10 V14 A15 E16 | I8-R12 PolarHBondContact O-N 2.87Å; E9-R12 PolarHBondContact O-N 3.3Å; D10-R12 VanDerWaalsContact C-N 3.33Å; D10-R12 PolarHBondContact O-N 3.25Å; R12-V14 VanDerWaalsContact C-N 3.33Å; R12-V14 PolarHBondContact O-N 2.86Å; R12-A15 WeakPolarHBondContact O-CB 3.13Å; R12-A15 PolarHBondContact O-N 3.38Å; R12-E16 WeakPolarHBondContact CG-OE1 3.37Å; R12-E16 WeakPolarHBondContact O-CG 3.46Å; R12-E16 PolarHBondContact O-N 3.17Å |
| 13 | R | 88.8 | Confident | 81.8 | Confident | 175 Ų | 175 | 75.9 Ų | 75.9 | 66% | 0.66 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.9 | -41.4 | -178.6 | -174.2 | -179.3 | 178.2 | -174.3 | 0.6 | 111.8 | E9 D10 N17 | E9-R13 WeakPolarHBondContact O-CB 3.34Å; E9-R13 PolarHBondContact O-N 3.43Å; D10-R13 PolarHBondContact O-N 2.84Å; R13-N17 PolarHBondContact O-ND2 3.05Å |
| 14 | V | 90.1 | Very high | 83.3 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 47% | 0.467 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110 | D10 I11 R12 E16 N17 I18 W47 | D10-V14 WeakPolarHBondContact O-CB 3.33Å; D10-V14 VanDerWaalsContact O-CG2 3.24Å; D10-V14 WeakPolarHBondContact O-CG2 3.37Å; D10-V14 PolarHBondContact O-N 3.12Å; I11-V14 PolarHBondContact O-N 2.98Å; R12-V14 VanDerWaalsContact C-N 3.33Å; R12-V14 PolarHBondContact O-N 2.86Å; V14-E16 VanDerWaalsContact C-N 3.32Å; V14-E16 PolarHBondContact O-N 3.16Å; V14-N17 PolarHBondContact O-N 2.96Å; V14-N17 VanDerWaalsContact O-N 3.08Å; V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.42Å; V14-I18 PolarHBondContact O-N 3Å; V14-W47 HydrophobicContact CB-CH2 3.79Å; V14-W47 HydrophobicContact CB-CZ3 4.16Å; V14-W47 HydrophobicContact CG1-CH2 3.66Å; V14-W47 HydrophobicContact CG1-CZ3 3.92Å |
| 15 | A | 89.5 | Confident | 85 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -56.7 | -42.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I11 R12 N17 I18 H50 V51 H55 | I11-A15 WeakPolarHBondContact O-CB 3.3Å; I11-A15 PolarHBondContact O-N 3.07Å; R12-A15 WeakPolarHBondContact O-CB 3.13Å; R12-A15 PolarHBondContact O-N 3.38Å; A15-N17 VanDerWaalsContact C-N 3.28Å; A15-N17 PolarHBondContact O-N 3.39Å; A15-I18 WeakPolarHBondContact O-CG1 3.36Å; A15-I18 PolarHBondContact O-N 2.78Å; A15-H50 HydrophobicContact CB-CB 4.03Å; A15-V51 HydrophobicContact CB-CG2 3.94Å; A15-H55 PolarHBondContact O-NE2 3.41Å |
| 16 | E | 90.2 | Very high | 86.7 | Confident | 112 Ų | 112 | 71.7 Ų | 71.7 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.4 | -31.6 | 177.6 | -72.6 | 169.7 | -170.9 | 0 | 0 | 113.4 | R12 V14 I18 A54 | R12-E16 WeakPolarHBondContact CG-OE1 3.37Å; R12-E16 WeakPolarHBondContact O-CG 3.46Å; R12-E16 PolarHBondContact O-N 3.17Å; V14-E16 VanDerWaalsContact C-N 3.32Å; V14-E16 PolarHBondContact O-N 3.16Å; E16-I18 VanDerWaalsContact C-N 3.32Å; E16-I18 PolarHBondContact O-N 3.49Å; E16-A54 HydrophobicContact CG-CB 3.94Å |
| 17 | N | 91.8 | Very high | 87.9 | Confident | 119 Ų | 119 | 69.9 Ų | 69.9 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 1.7 | -177 | -70.6 | -60.1 | 0 | 0 | 0 | 113.7 | R13 V14 A15 | R13-N17 PolarHBondContact O-ND2 3.05Å; V14-N17 PolarHBondContact O-N 2.96Å; V14-N17 VanDerWaalsContact O-N 3.08Å; A15-N17 VanDerWaalsContact C-N 3.28Å; A15-N17 PolarHBondContact O-N 3.39Å |
| 18 | I | 89.5 | Confident | 88.4 | Confident | 28 Ų | 28 | 71.3 Ų | 71.3 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -71.1 | 126.5 | 179.9 | -57.9 | -176.6 | 0 | 0 | 0 | 109.4 | V14 A15 E16 A22 I23 L26 V51 H55 | V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.42Å; V14-I18 PolarHBondContact O-N 3Å; A15-I18 WeakPolarHBondContact O-CG1 3.36Å; A15-I18 PolarHBondContact O-N 2.78Å; E16-I18 VanDerWaalsContact C-N 3.32Å; E16-I18 PolarHBondContact O-N 3.49Å; I18-A22 HydrophobicContact CG2-CB 4.18Å; I18-I23 HydrophobicContact CG2-CG1 4.25Å; I18-L26 HydrophobicContact CD1-CD2 3.53Å; I18-L26 HydrophobicContact CG2-CD2 4.5Å; I18-V51 HydrophobicContact CD1-CG2 4.01Å; I18-H55 PolarHBondContact O-CE1 2.95Å |
| 19 | P | 91.3 | Very high | 88.7 | Confident | 89 Ų | 89 | 71 Ų | 71 | 58% | 0.578 | 38% | 0.379 | S | S | * | . | trans | -66.2 | 140.2 | 177.2 | 24.5 | -31 | 0 | 0 | 0 | 110.8 | A21 A22 | P19-A21 PolarHBondContact O-N 2.76Å; P19-A22 HydrophobicContact CG-CB 4.07Å; P19-A22 WeakPolarHBondContact O-CB 3.33Å; P19-A22 PolarHBondContact O-N 3.02Å | ||
| 20 | K | 88.1 | Confident | 88.9 | Confident | 121 Ų | 121 | 65.6 Ų | 65.6 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -53.6 | -34.3 | -175.1 | -67.5 | -177.4 | 177.2 | -173.7 | 0 | 114.3 | A22 I23 F58 | K20-A22 PolarHBondContact O-N 3.31Å; K20-I23 HydrophobicContact CB-CD1 4.22Å; K20-I23 HydrophobicContact CG-CD1 4.2Å; K20-I23 PolarHBondContact O-N 2.93Å; K20-F58 HydrophobicContact CB-CD2 3.99Å; K20-F58 HydrophobicContact CB-CE2 4.01Å; K20-F58 HydrophobicContact CD-CD2 4Å; K20-F58 HydrophobicContact CG-CD2 4.18Å |
| 21 | A | 88 | Confident | 88.7 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 77% | 0.769 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.3 | -23.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | P19 | P19-A21 PolarHBondContact O-N 2.76Å |
| 22 | A | 90 | Very high | 88.7 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -93 | -10 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I18 P19 K20 P25 L26 | I18-A22 HydrophobicContact CG2-CB 4.18Å; P19-A22 HydrophobicContact CG-CB 4.07Å; P19-A22 WeakPolarHBondContact O-CB 3.33Å; P19-A22 PolarHBondContact O-N 3.02Å; K20-A22 PolarHBondContact O-N 3.31Å; A22-P25 WeakPolarHBondContact O-CD 3.47Å; A22-L26 WeakPolarHBondContact O-CB 3.27Å; A22-L26 PolarHBondContact O-N 3.43Å |
| 23 | I | 89.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.8 | -52.5 | -173.2 | -62.9 | 171.6 | 0 | 0 | 0 | 111.3 | I18 K20 L26 I27 V51 H55 F58 F59 | I18-I23 HydrophobicContact CG2-CG1 4.25Å; K20-I23 HydrophobicContact CB-CD1 4.22Å; K20-I23 HydrophobicContact CG-CD1 4.2Å; K20-I23 PolarHBondContact O-N 2.93Å; I23-L26 WeakPolarHBondContact O-CB 3.44Å; I23-L26 PolarHBondContact O-N 3.23Å; I23-I27 HydrophobicContact CG2-CD1 3.68Å; I23-I27 HydrophobicContact CG2-CG1 4.33Å; I23-I27 WeakPolarHBondContact O-CB 3.47Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.45Å; I23-I27 PolarHBondContact O-N 3.35Å; I23-V51 HydrophobicContact CG2-CG1 4.33Å; I23-H55 HydrophobicContact CD1-CB 3.56Å; I23-H55 WeakPolarHBondContact CD1-ND1 3.48Å; I23-F58 HydrophobicContact CB-CE1 4.27Å; I23-F58 HydrophobicContact CD1-CB 4.49Å; I23-F58 HydrophobicContact CD1-CD1 3.95Å; I23-F58 HydrophobicContact CD1-CE1 4.33Å; I23-F58 HydrophobicContact CD1-CG 4.18Å; I23-F58 HydrophobicContact CG2-CD1 4.39Å; I23-F58 HydrophobicContact CG2-CE1 4.36Å; I23-F59 HydrophobicContact CG2-CE1 4.37Å; I23-F59 HydrophobicContact CG2-CE2 4.2Å; I23-F59 HydrophobicContact CG2-CZ 3.52Å |
| 24 | L | 87.9 | Confident | 88.2 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.7 | -48.5 | -179 | -69 | 167.1 | 0 | 0 | 0 | 112.2 | L26 I27 S28 F58 F59 H65 E68 V69 | L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.94Å; L24-I27 PolarHBondContact O-N 3.49Å; L24-S28 PolarHBondContact O-N 3.46Å; L24-F58 HydrophobicContact CD1-CE1 4.46Å; L24-F58 HydrophobicContact CD1-CZ 4.37Å; L24-F58 HydrophobicContact CG-CE1 4.14Å; L24-F58 HydrophobicContact CG-CZ 4.47Å; L24-F59 HydrophobicContact CD2-CE1 4.38Å; L24-H65 WeakPolarHBondContact CD1-ND1 3.42Å; L24-H65 HydrophobicContact CD2-CB 4.28Å; L24-E68 WeakPolarHBondContact CD1-OE2 3.48Å; L24-E68 HydrophobicContact CD2-CB 4.24Å; L24-V69 HydrophobicContact CD2-CG2 3.82Å |
| 25 | P | 90.1 | Very high | 87.7 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.3 | -40.7 | 172.6 | -26 | 32.4 | 0 | 0 | 0 | 113.7 | A22 S28 L29 | A22-P25 WeakPolarHBondContact O-CD 3.47Å; P25-S28 PolarHBondContact O-N 3.39Å; P25-L29 PolarHBondContact O-N 2.82Å |
| 26 | L | 90 | Very high | 87.4 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 179.7 | -176.1 | 73.5 | 0 | 0 | 0 | 111.6 | I18 A22 I23 L24 L29 F30 V51 | I18-L26 HydrophobicContact CD1-CD2 3.53Å; I18-L26 HydrophobicContact CG2-CD2 4.5Å; A22-L26 WeakPolarHBondContact O-CB 3.27Å; A22-L26 PolarHBondContact O-N 3.43Å; I23-L26 WeakPolarHBondContact O-CB 3.44Å; I23-L26 PolarHBondContact O-N 3.23Å; L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.94Å; L26-L29 WeakPolarHBondContact O-CB 3.42Å; L26-L29 PolarHBondContact O-N 3.43Å; L26-F30 HydrophobicContact CD1-CE1 4.19Å; L26-F30 HydrophobicContact CD1-CZ 3.96Å; L26-F30 HydrophobicContact CD2-CE2 3.96Å; L26-F30 HydrophobicContact CD2-CZ 3.92Å; L26-F30 HydrophobicContact CG-CD2 4.45Å; L26-F30 HydrophobicContact CG-CE1 4.29Å; L26-F30 HydrophobicContact CG-CE2 3.8Å; L26-F30 HydrophobicContact CG-CZ 3.7Å; L26-F30 WeakPolarHBondContact O-CG 3.39Å; L26-F30 PolarHBondContact O-N 3.31Å; L26-V51 HydrophobicContact CD2-CG1 4.47Å; L26-V51 HydrophobicContact CD2-CG2 4.18Å |
| 27 | I | 88.6 | Confident | 86.7 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 177.7 | -71.1 | 178.6 | 0 | 0 | 0 | 110.3 | I23 L24 L29 F30 A31 L48 V51 L52 F59 V69 I72 | I23-I27 HydrophobicContact CG2-CD1 3.68Å; I23-I27 HydrophobicContact CG2-CG1 4.33Å; I23-I27 WeakPolarHBondContact O-CB 3.47Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.45Å; I23-I27 PolarHBondContact O-N 3.35Å; L24-I27 PolarHBondContact O-N 3.49Å; I27-L29 VanDerWaalsContact C-N 3.27Å; I27-L29 PolarHBondContact O-N 3.45Å; I27-F30 WeakPolarHBondContact O-CA 3.24Å; I27-F30 WeakPolarHBondContact O-CB 3.43Å; I27-F30 PolarHBondContact O-N 3.25Å; I27-A31 PolarHBondContact O-N 3.18Å; I27-L48 HydrophobicContact CG1-CD1 4.47Å; I27-L48 HydrophobicContact CG2-CD1 4.42Å; I27-V51 HydrophobicContact CD1-CG1 4.43Å; I27-V51 HydrophobicContact CG1-CG1 4.43Å; I27-L52 HydrophobicContact CD1-CD2 4.01Å; I27-F59 HydrophobicContact CD1-CE1 4.08Å; I27-F59 HydrophobicContact CD1-CE2 4.38Å; I27-F59 HydrophobicContact CD1-CZ 3.43Å; I27-F59 VanDerWaalsContact CD1-CZ 3.43Å; I27-V69 HydrophobicContact CB-CG2 4.42Å; I27-V69 HydrophobicContact CD1-CG2 4.06Å; I27-V69 HydrophobicContact CG2-CB 4.15Å; I27-V69 HydrophobicContact CG2-CG1 3.57Å; I27-V69 HydrophobicContact CG2-CG2 3.73Å; I27-I72 HydrophobicContact CB-CD1 4.42Å; I27-I72 HydrophobicContact CG2-CD1 3.19Å; I27-I72 HydrophobicContact CG2-CG1 4.41Å; I27-I72 WeakPolarHBondContact O-CD1 3.44Å |
| 28 | S | 86.7 | Confident | 86 | Confident | 67 Ų | 67 | 60 Ų | 60 | 47% | 0.469 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.5 | -42.5 | 171.6 | -173 | 0 | 0 | 0 | 0 | 111.8 | L24 P25 F30 A31 D32 | L24-S28 PolarHBondContact O-N 3.46Å; P25-S28 PolarHBondContact O-N 3.39Å; S28-F30 VanDerWaalsContact C-N 3.31Å; S28-F30 PolarHBondContact O-N 3.01Å; S28-A31 VanDerWaalsContact O-CB 3.28Å; S28-A31 WeakPolarHBondContact O-CB 3.32Å; S28-A31 PolarHBondContact O-N 3.38Å; S28-A31 VanDerWaalsContact O-N 3.12Å; S28-D32 PolarHBondContact O-N 3.39Å |
| 29 | L | 87.5 | Confident | 85.5 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 42% | 0.424 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 175.7 | -174.2 | 73.7 | 0 | 0 | 0 | 111.8 | P25 L26 I27 A31 D32 H33 | P25-L29 PolarHBondContact O-N 2.82Å; L26-L29 WeakPolarHBondContact O-CB 3.42Å; L26-L29 PolarHBondContact O-N 3.43Å; I27-L29 VanDerWaalsContact C-N 3.27Å; I27-L29 PolarHBondContact O-N 3.45Å; L29-A31 VanDerWaalsContact C-N 3.35Å; L29-D32 PolarHBondContact O-N 3.17Å; L29-H33 PolarHBondContact O-CD2 3.4Å; L29-H33 VanDerWaalsContact O-CD2 3.31Å; L29-H33 PolarHBondContact O-N 2.89Å |
| 30 | F | 87.8 | Confident | 85.1 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 2% | 0.022 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 172.8 | -63.8 | -29.3 | 0 | 0 | 0 | 111.9 | L3 L26 I27 S28 D32 H33 L34 L44 W47 L48 V51 | L3-F30 HydrophobicContact CD2-CE1 4.46Å; L26-F30 HydrophobicContact CD1-CE1 4.19Å; L26-F30 HydrophobicContact CD1-CZ 3.96Å; L26-F30 HydrophobicContact CD2-CE2 3.96Å; L26-F30 HydrophobicContact CD2-CZ 3.92Å; L26-F30 HydrophobicContact CG-CD2 4.45Å; L26-F30 HydrophobicContact CG-CE1 4.29Å; L26-F30 HydrophobicContact CG-CE2 3.8Å; L26-F30 HydrophobicContact CG-CZ 3.7Å; L26-F30 WeakPolarHBondContact O-CG 3.39Å; L26-F30 PolarHBondContact O-N 3.31Å; I27-F30 WeakPolarHBondContact O-CA 3.24Å; I27-F30 WeakPolarHBondContact O-CB 3.43Å; I27-F30 PolarHBondContact O-N 3.25Å; S28-F30 VanDerWaalsContact C-N 3.31Å; S28-F30 PolarHBondContact O-N 3.01Å; F30-D32 VanDerWaalsContact C-N 3.29Å; F30-D32 PolarHBondContact O-N 2.86Å; F30-H33 PolarHBondContact O-N 3.19Å; F30-L34 WeakPolarHBondContact O-CG 3.21Å; F30-L34 PolarHBondContact O-N 2.82Å; F30-L44 HydrophobicContact CB-CD2 3.84Å; F30-L44 HydrophobicContact CB-CG 4.41Å; F30-L44 HydrophobicContact CD1-CD1 4.32Å; F30-L44 HydrophobicContact CD1-CD2 4.38Å; F30-L44 HydrophobicContact CD1-CG 4.14Å; F30-L44 HydrophobicContact CG-CD2 4.41Å; F30-L44 HydrophobicContact CG-CG 4.47Å; F30-L44 WeakPolarHBondContact O-CD2 3.29Å; F30-W47 HydrophobicContact CE1-CB 4.42Å; F30-W47 HydrophobicContact CE2-CB 4.26Å; F30-W47 HydrophobicContact CZ-CB 3.9Å; F30-W47 HydrophobicContact CZ-CG 4.46Å; F30-L48 HydrophobicContact CD2-CD1 4.04Å; F30-V51 HydrophobicContact CE2-CG2 4.25Å |
| 31 | A | 83.4 | Confident | 84.8 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I27 S28 L29 L34 R35 I72 | I27-A31 PolarHBondContact O-N 3.18Å; S28-A31 VanDerWaalsContact O-CB 3.28Å; S28-A31 WeakPolarHBondContact O-CB 3.32Å; S28-A31 PolarHBondContact O-N 3.38Å; S28-A31 VanDerWaalsContact O-N 3.12Å; L29-A31 VanDerWaalsContact C-N 3.35Å; A31-L34 PolarHBondContact O-N 3.22Å; A31-R35 WeakPolarHBondContact O-CG 3.45Å; A31-R35 PolarHBondContact O-N 2.87Å; A31-I72 HydrophobicContact CB-CD1 4.01Å; A31-I72 HydrophobicContact CB-CG1 3.43Å; A31-I72 VanDerWaalsContact CB-CG1 3.43Å |
| 32 | D | 84.8 | Confident | 84.4 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 178.5 | -68.6 | -28.8 | 0 | 0 | 0 | 111.8 | S28 L29 F30 L34 R35 S36 | S28-D32 PolarHBondContact O-N 3.39Å; L29-D32 PolarHBondContact O-N 3.17Å; F30-D32 VanDerWaalsContact C-N 3.29Å; F30-D32 PolarHBondContact O-N 2.86Å; D32-L34 PolarHBondContact O-N 3.37Å; D32-R35 WeakPolarHBondContact O-CB 3.47Å; D32-R35 PolarHBondContact O-N 3.41Å; D32-R35 VanDerWaalsContact O-N 3.11Å; D32-R35 IonicContact OD1-NH1 3.67Å; D32-S36 PolarHBondContact O-N 2.85Å; D32-S36 PolarHBondContact O-OG 3.32Å |
| 33 | H | 85.7 | Confident | 84 | Confident | 49 Ų | 49 | 59 Ų | 59 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.1 | -31.2 | 175.4 | -75 | -42.5 | 0 | 0 | 0 | 113.8 | L29 F30 R35 D37 V39 L44 | L29-H33 PolarHBondContact O-CD2 3.4Å; L29-H33 VanDerWaalsContact O-CD2 3.31Å; L29-H33 PolarHBondContact O-N 2.89Å; F30-H33 PolarHBondContact O-N 3.19Å; H33-R35 PolarHBondContact O-N 3.1Å; H33-D37 PolarHBondContact O-N 3.04Å; H33-V39 HydrophobicContact CB-CG2 4.47Å; H33-L44 HydrophobicContact CB-CD1 3.82Å; H33-L44 HydrophobicContact CB-CD2 3.95Å |
| 34 | L | 81.9 | Confident | 83.9 | Confident | 20 Ų | 20 | 59.1 Ų | 59.1 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.8 | -27.1 | 170.8 | -73.6 | 172.9 | 0 | 0 | 0 | 112.2 | F30 A31 D32 R41 L44 I72 F75 | F30-L34 WeakPolarHBondContact O-CG 3.21Å; F30-L34 PolarHBondContact O-N 2.82Å; A31-L34 PolarHBondContact O-N 3.22Å; D32-L34 PolarHBondContact O-N 3.37Å; L34-R41 HydrophobicContact CD2-CG 4.01Å; L34-L44 HydrophobicContact CB-CD2 4.43Å; L34-L44 HydrophobicContact CD1-CD2 4.28Å; L34-L44 HydrophobicContact CD2-CB 4.27Å; L34-L44 HydrophobicContact CD2-CD2 3.67Å; L34-L44 HydrophobicContact CG-CD2 3.44Å; L34-L44 VanDerWaalsContact CG-CD2 3.44Å; L34-I72 HydrophobicContact CD1-CG2 4.12Å; L34-F75 HydrophobicContact CB-CB 4.04Å; L34-F75 HydrophobicContact CB-CG 4.37Å; L34-F75 HydrophobicContact CD1-CB 3.97Å |
| 35 | R | 80.2 | Confident | 83.7 | Confident | 125 Ų | 125 | 59.9 Ų | 59.9 | 47% | 0.472 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -81 | -36 | 177.7 | -71 | 169 | -176.2 | 174.1 | 0 | 112.6 | A31 D32 H33 D71 F75 | A31-R35 WeakPolarHBondContact O-CG 3.45Å; A31-R35 PolarHBondContact O-N 2.87Å; D32-R35 WeakPolarHBondContact O-CB 3.47Å; D32-R35 PolarHBondContact O-N 3.41Å; D32-R35 VanDerWaalsContact O-N 3.11Å; D32-R35 IonicContact OD1-NH1 3.67Å; H33-R35 PolarHBondContact O-N 3.1Å; R35-D71 IonicContact NH2-OD2 3.97Å; R35-F75 HydrophobicContact CG-CD1 4.16Å; R35-F75 HydrophobicContact CG-CE1 3.48Å; R35-F75 VanDerWaalsContact CG-CE1 3.48Å; R35-F75 HydrophobicContact CG-CE2 4.02Å; R35-F75 HydrophobicContact CG-CZ 3.41Å; R35-F75 VanDerWaalsContact CG-CZ 3.41Å; R35-F75 VanDerWaalsContact NE-CE2 3.35Å |
| 36 | S | 81.8 | Confident | 83.6 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -86.4 | -14.1 | -175.1 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | D32 D38 | D32-S36 PolarHBondContact O-N 2.85Å; D32-S36 PolarHBondContact O-OG 3.32Å; S36-D38 WeakPolarHBondContact CB-OD2 3.45Å; S36-D38 PolarHBondContact O-N 3.06Å; S36-D38 VanDerWaalsContact O-N 3.12Å; S36-D38 PolarHBondContact OG-OD2 3.16Å |
| 37 | D | 74.8 | Confident | 83.5 | Confident | 128 Ų | 128 | 56.9 Ų | 56.9 | 68% | 0.684 | 30% | 0.3 | S | S | * | . | trans | 57.9 | 20.3 | -178.2 | -122 | 1.4 | 0 | 0 | 0 | 113.5 | H33 V39 | H33-D37 PolarHBondContact O-N 3.04Å; D37-V39 VanDerWaalsContact C-N 3.27Å; D37-V39 PolarHBondContact O-N 2.92Å | ||
| 38 | D | 77.3 | Confident | 83.5 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 65% | 0.647 | 30% | 0.301 | S | S | * | . | trans | -74.2 | -17.9 | -177.4 | -65.3 | -38.8 | 0 | 0 | 0 | 113.3 | S36 | S36-D38 WeakPolarHBondContact CB-OD2 3.45Å; S36-D38 PolarHBondContact O-N 3.06Å; S36-D38 VanDerWaalsContact O-N 3.12Å; S36-D38 PolarHBondContact OG-OD2 3.16Å | ||
| 39 | V | 79.8 | Confident | 83.6 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -127.8 | 139.2 | -174.8 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | L3 H33 D37 R41 L44 | L3-V39 HydrophobicContact CB-CG1 4.2Å; L3-V39 HydrophobicContact CD1-CG1 4.04Å; L3-V39 HydrophobicContact CD1-CG2 4.34Å; H33-V39 HydrophobicContact CB-CG2 4.47Å; D37-V39 VanDerWaalsContact C-N 3.27Å; D37-V39 PolarHBondContact O-N 2.92Å; V39-R41 PolarHBondContact O-N 3.13Å; V39-L44 HydrophobicContact CB-CD1 3.86Å; V39-L44 HydrophobicContact CG1-CD1 3.69Å; V39-L44 HydrophobicContact CG2-CD1 4.34Å |
| 40 | P | 82.6 | Confident | 83.7 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | trans | -53.2 | 117.3 | 177.2 | 16.3 | -29.4 | 0 | 0 | 0 | 111.2 | L42 Q43 L44 | P40-L42 PolarHBondContact O-N 2.88Å; P40-L42 VanDerWaalsContact O-N 3.15Å; P40-Q43 HydrophobicContact CB-CB 4.4Å; P40-Q43 HydrophobicContact CG-CB 4.03Å; P40-Q43 VanDerWaalsContact O-CB 3.26Å; P40-Q43 WeakPolarHBondContact O-CB 3.3Å; P40-Q43 PolarHBondContact O-N 3.03Å; P40-L44 PolarHBondContact O-N 3.46Å | ||
| 41 | R | 81.5 | Confident | 83.8 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -51 | -42.5 | -174.3 | -176.7 | 171.5 | -179.3 | -159.9 | -2 | 113.2 | L34 V39 Q43 L44 L45 F75 S78 | L34-R41 HydrophobicContact CD2-CG 4.01Å; V39-R41 PolarHBondContact O-N 3.13Å; R41-Q43 VanDerWaalsContact C-N 3.27Å; R41-Q43 PolarHBondContact O-N 2.97Å; R41-L44 PolarHBondContact O-N 3.38Å; R41-L44 VanDerWaalsContact O-N 3.14Å; R41-L45 HydrophobicContact CG-CD1 4.03Å; R41-L45 HydrophobicContact CG-CG 4.28Å; R41-L45 VanDerWaalsContact O-CG 3.29Å; R41-L45 WeakPolarHBondContact O-CG 3.44Å; R41-L45 PolarHBondContact O-N 3.07Å; R41-F75 PolarHBondContact NH2-O 2.9Å; R41-S78 PolarHBondContact NH1-O 3.12Å; R41-S78 PolarHBondContact NH2-O 2.84Å; R41-S78 PolarHBondContact NH2-OG 3.19Å |
| 42 | L | 80.2 | Confident | 84.1 | Confident | 134 Ų | 134 | 60 Ų | 60 | 70% | 0.702 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -56.1 | -42.6 | 178 | -164.2 | 89.9 | 0 | 0 | 0 | 112 | P40 L45 L46 | P40-L42 PolarHBondContact O-N 2.88Å; P40-L42 VanDerWaalsContact O-N 3.15Å; L42-L45 PolarHBondContact O-N 2.96Å; L42-L46 HydrophobicContact CD2-CD1 4.49Å; L42-L46 WeakPolarHBondContact O-CB 3.48Å; L42-L46 PolarHBondContact O-N 2.89Å |
| 43 | Q | 82.7 | Confident | 84.2 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 179.9 | -171.7 | 66.1 | 4.4 | 0 | 0 | 110.8 | L3 P40 R41 L46 W47 | L3-Q43 WeakPolarHBondContact O-CG 3.47Å; L3-Q43 PolarHBondContact O-NE2 3.37Å; P40-Q43 HydrophobicContact CB-CB 4.4Å; P40-Q43 HydrophobicContact CG-CB 4.03Å; P40-Q43 VanDerWaalsContact O-CB 3.26Å; P40-Q43 WeakPolarHBondContact O-CB 3.3Å; P40-Q43 PolarHBondContact O-N 3.03Å; R41-Q43 VanDerWaalsContact C-N 3.27Å; R41-Q43 PolarHBondContact O-N 2.97Å; Q43-L46 WeakPolarHBondContact O-CB 3.22Å; Q43-L46 PolarHBondContact O-N 3.23Å; Q43-W47 VanDerWaalsContact O-CD1 3.31Å; Q43-W47 PolarHBondContact O-N 3.37Å |
| 44 | L | 86.2 | Confident | 84.4 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 177.8 | -137.8 | 97.1 | 0 | 0 | 0 | 112 | L3 F30 H33 L34 V39 P40 R41 L46 W47 L48 | L3-L44 HydrophobicContact CD1-CD1 3.88Å; F30-L44 HydrophobicContact CB-CD2 3.84Å; F30-L44 HydrophobicContact CB-CG 4.41Å; F30-L44 HydrophobicContact CD1-CD1 4.32Å; F30-L44 HydrophobicContact CD1-CD2 4.38Å; F30-L44 HydrophobicContact CD1-CG 4.14Å; F30-L44 HydrophobicContact CG-CD2 4.41Å; F30-L44 HydrophobicContact CG-CG 4.47Å; F30-L44 WeakPolarHBondContact O-CD2 3.29Å; H33-L44 HydrophobicContact CB-CD1 3.82Å; H33-L44 HydrophobicContact CB-CD2 3.95Å; L34-L44 HydrophobicContact CB-CD2 4.43Å; L34-L44 HydrophobicContact CD1-CD2 4.28Å; L34-L44 HydrophobicContact CD2-CB 4.27Å; L34-L44 HydrophobicContact CD2-CD2 3.67Å; L34-L44 HydrophobicContact CG-CD2 3.44Å; L34-L44 VanDerWaalsContact CG-CD2 3.44Å; V39-L44 HydrophobicContact CB-CD1 3.86Å; V39-L44 HydrophobicContact CG1-CD1 3.69Å; V39-L44 HydrophobicContact CG2-CD1 4.34Å; P40-L44 PolarHBondContact O-N 3.46Å; R41-L44 PolarHBondContact O-N 3.38Å; R41-L44 VanDerWaalsContact O-N 3.14Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.34Å; L44-W47 PolarHBondContact O-N 3.24Å; L44-L48 WeakPolarHBondContact O-CB 3.4Å; L44-L48 PolarHBondContact O-N 2.67Å |
| 45 | L | 84.3 | Confident | 84.8 | Confident | 53 Ų | 53 | 58.9 Ų | 58.9 | 28% | 0.277 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 175 | -68.8 | 175.4 | 0 | 0 | 0 | 112 | R41 L42 L48 K49 L76 | R41-L45 HydrophobicContact CG-CD1 4.03Å; R41-L45 HydrophobicContact CG-CG 4.28Å; R41-L45 VanDerWaalsContact O-CG 3.29Å; R41-L45 WeakPolarHBondContact O-CG 3.44Å; R41-L45 PolarHBondContact O-N 3.07Å; L42-L45 PolarHBondContact O-N 2.96Å; L45-L48 PolarHBondContact O-N 2.8Å; L45-K49 VanDerWaalsContact O-CB 3.32Å; L45-K49 WeakPolarHBondContact O-CB 3.47Å; L45-K49 PolarHBondContact O-N 3.18Å; L45-L76 HydrophobicContact CD2-CD2 3.22Å |
| 46 | L | 87.5 | Confident | 85.1 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -49.1 | 173 | -101.4 | 151.1 | 0 | 0 | 0 | 111.4 | I8 L42 Q43 L44 K49 H50 | I8-L46 HydrophobicContact CG1-CD2 4.34Å; L42-L46 HydrophobicContact CD2-CD1 4.49Å; L42-L46 WeakPolarHBondContact O-CB 3.48Å; L42-L46 PolarHBondContact O-N 2.89Å; Q43-L46 WeakPolarHBondContact O-CB 3.22Å; Q43-L46 PolarHBondContact O-N 3.23Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.34Å; L46-K49 PolarHBondContact O-N 2.64Å; L46-H50 PolarHBondContact O-CD2 3.35Å; L46-H50 PolarHBondContact O-N 3.25Å; L46-H50 VanDerWaalsContact O-N 3.1Å |
| 47 | W | 89.2 | Confident | 85.3 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 8% | 0.08 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 175 | -88.1 | 94.9 | 0 | 0 | 0 | 112 | L3 P6 I11 V14 F30 Q43 L44 K49 H50 V51 | L3-W47 HydrophobicContact CD2-CD2 3.97Å; L3-W47 HydrophobicContact CD2-CG 3.66Å; L3-W47 VanDerWaalsContact CD2-NE1 3.26Å; P6-W47 HydrophobicContact CG-CZ2 3.98Å; I11-W47 HydrophobicContact CB-CZ2 4.28Å; I11-W47 HydrophobicContact CG1-CD2 4.46Å; I11-W47 HydrophobicContact CG1-CZ2 3.84Å; I11-W47 HydrophobicContact CG2-CD2 3.63Å; I11-W47 HydrophobicContact CG2-CE3 3.77Å; I11-W47 HydrophobicContact CG2-CG 4.07Å; I11-W47 HydrophobicContact CG2-CH2 4.29Å; I11-W47 HydrophobicContact CG2-CZ2 4.18Å; I11-W47 HydrophobicContact CG2-CZ3 4.09Å; V14-W47 HydrophobicContact CB-CH2 3.79Å; V14-W47 HydrophobicContact CB-CZ3 4.16Å; V14-W47 HydrophobicContact CG1-CH2 3.66Å; V14-W47 HydrophobicContact CG1-CZ3 3.92Å; F30-W47 HydrophobicContact CE1-CB 4.42Å; F30-W47 HydrophobicContact CE2-CB 4.26Å; F30-W47 HydrophobicContact CZ-CB 3.9Å; F30-W47 HydrophobicContact CZ-CG 4.46Å; Q43-W47 VanDerWaalsContact O-CD1 3.31Å; Q43-W47 PolarHBondContact O-N 3.37Å; L44-W47 PolarHBondContact O-N 3.24Å; W47-K49 VanDerWaalsContact C-N 3.34Å; W47-K49 PolarHBondContact O-N 3.14Å; W47-H50 PolarHBondContact O-N 3.21Å; W47-V51 HydrophobicContact CE3-CG2 4.34Å; W47-V51 WeakPolarHBondContact O-CB 3.17Å; W47-V51 VanDerWaalsContact O-CG2 3.31Å; W47-V51 WeakPolarHBondContact O-CG2 3.26Å; W47-V51 PolarHBondContact O-N 3.36Å |
| 48 | L | 88.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 178.9 | -171.6 | 73.8 | 0 | 0 | 0 | 111.4 | I27 F30 L44 L45 H50 V51 L52 I72 L76 | I27-L48 HydrophobicContact CG1-CD1 4.47Å; I27-L48 HydrophobicContact CG2-CD1 4.42Å; F30-L48 HydrophobicContact CD2-CD1 4.04Å; L44-L48 WeakPolarHBondContact O-CB 3.4Å; L44-L48 PolarHBondContact O-N 2.67Å; L45-L48 PolarHBondContact O-N 2.8Å; L48-H50 VanDerWaalsContact C-N 3.35Å; L48-H50 PolarHBondContact O-N 3.02Å; L48-V51 PolarHBondContact O-N 3.2Å; L48-L52 HydrophobicContact CD1-CD1 4.24Å; L48-L52 HydrophobicContact CD1-CG 4.4Å; L48-L52 HydrophobicContact CD2-CD1 4.38Å; L48-L52 HydrophobicContact CG-CD1 3.85Å; L48-L52 HydrophobicContact CG-CG 4.34Å; L48-L52 WeakPolarHBondContact O-CB 3.28Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.23Å; L48-L52 PolarHBondContact O-N 3.41Å; L48-I72 HydrophobicContact CD1-CD1 3.97Å; L48-I72 HydrophobicContact CD2-CG2 3.8Å; L48-L76 HydrophobicContact CD2-CD1 4.24Å; L48-L76 HydrophobicContact CD2-CD2 3.73Å; L48-L76 HydrophobicContact CD2-CG 4.49Å |
| 49 | K | 87.9 | Confident | 86.2 | Confident | 142 Ų | 142 | 53.7 Ų | 53.7 | 62% | 0.617 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -55.3 | -49.2 | 176 | 175.5 | -175.8 | 173.9 | -178.6 | 0 | 111.4 | L45 L46 W47 A53 | L45-K49 VanDerWaalsContact O-CB 3.32Å; L45-K49 WeakPolarHBondContact O-CB 3.47Å; L45-K49 PolarHBondContact O-N 3.18Å; L46-K49 PolarHBondContact O-N 2.64Å; W47-K49 VanDerWaalsContact C-N 3.34Å; W47-K49 PolarHBondContact O-N 3.14Å; K49-A53 VanDerWaalsContact O-CB 3.23Å; K49-A53 WeakPolarHBondContact O-CB 3.32Å; K49-A53 PolarHBondContact O-N 2.86Å |
| 50 | H | 89.9 | Confident | 86.4 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.2 | -38.2 | -176.6 | -75.5 | -62.3 | 0 | 0 | 0 | 113.1 | I11 A15 L46 W47 L48 A53 A54 | I11-H50 HydrophobicContact CG2-CB 3.99Å; A15-H50 HydrophobicContact CB-CB 4.03Å; L46-H50 PolarHBondContact O-CD2 3.35Å; L46-H50 PolarHBondContact O-N 3.25Å; L46-H50 VanDerWaalsContact O-N 3.1Å; W47-H50 PolarHBondContact O-N 3.21Å; L48-H50 VanDerWaalsContact C-N 3.35Å; L48-H50 PolarHBondContact O-N 3.02Å; H50-A53 PolarHBondContact O-N 3.39Å; H50-A54 VanDerWaalsContact O-CB 3.28Å; H50-A54 WeakPolarHBondContact O-CB 3.43Å; H50-A54 PolarHBondContact O-N 3.17Å |
| 51 | V | 90.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 111 | A15 I18 I23 L26 I27 F30 W47 L48 A54 H55 | A15-V51 HydrophobicContact CB-CG2 3.94Å; I18-V51 HydrophobicContact CD1-CG2 4.01Å; I23-V51 HydrophobicContact CG2-CG1 4.33Å; L26-V51 HydrophobicContact CD2-CG1 4.47Å; L26-V51 HydrophobicContact CD2-CG2 4.18Å; I27-V51 HydrophobicContact CD1-CG1 4.43Å; I27-V51 HydrophobicContact CG1-CG1 4.43Å; F30-V51 HydrophobicContact CE2-CG2 4.25Å; W47-V51 HydrophobicContact CE3-CG2 4.34Å; W47-V51 WeakPolarHBondContact O-CB 3.17Å; W47-V51 VanDerWaalsContact O-CG2 3.31Å; W47-V51 WeakPolarHBondContact O-CG2 3.26Å; W47-V51 PolarHBondContact O-N 3.36Å; L48-V51 PolarHBondContact O-N 3.2Å; V51-A54 PolarHBondContact O-N 3.47Å; V51-H55 PolarHBondContact O-CD2 3.31Å; V51-H55 VanDerWaalsContact O-CD2 3.3Å; V51-H55 PolarHBondContact O-N 3.31Å; V51-H55 VanDerWaalsContact O-N 3.16Å |
| 52 | L | 88.1 | Confident | 86.6 | Confident | 56 Ų | 56 | 57 Ų | 57 | 29% | 0.293 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 176.9 | -70.2 | 175.1 | 0 | 0 | 0 | 111.5 | I27 L48 H55 M56 F59 | I27-L52 HydrophobicContact CD1-CD2 4.01Å; L48-L52 HydrophobicContact CD1-CD1 4.24Å; L48-L52 HydrophobicContact CD1-CG 4.4Å; L48-L52 HydrophobicContact CD2-CD1 4.38Å; L48-L52 HydrophobicContact CG-CD1 3.85Å; L48-L52 HydrophobicContact CG-CG 4.34Å; L48-L52 WeakPolarHBondContact O-CB 3.28Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.23Å; L48-L52 PolarHBondContact O-N 3.41Å; L52-H55 CarbonylContact O-C 3.59Å; L52-H55 PolarHBondContact O-N 3.03Å; L52-M56 VanDerWaalsContact O-CG 3.24Å; L52-M56 WeakPolarHBondContact O-CG 3.29Å; L52-M56 PolarHBondContact O-N 3.15Å; L52-F59 HydrophobicContact CD2-CD2 4.26Å; L52-F59 HydrophobicContact CD2-CE2 3.67Å; L52-F59 HydrophobicContact CD2-CZ 3.9Å |
| 53 | A | 88.6 | Confident | 86.6 | Confident | 67 Ų | 67 | 55 Ų | 55 | 55% | 0.554 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K49 H50 H55 | K49-A53 VanDerWaalsContact O-CB 3.23Å; K49-A53 WeakPolarHBondContact O-CB 3.32Å; K49-A53 PolarHBondContact O-N 2.86Å; H50-A53 PolarHBondContact O-N 3.39Å; A53-H55 VanDerWaalsContact C-N 3.3Å; A53-H55 PolarHBondContact O-N 3.38Å |
| 54 | A | 89.6 | Confident | 86.6 | Confident | 40 Ų | 40 | 58.6 Ų | 58.6 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.2 | -28.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E16 H50 V51 | E16-A54 HydrophobicContact CG-CB 3.94Å; H50-A54 VanDerWaalsContact O-CB 3.28Å; H50-A54 WeakPolarHBondContact O-CB 3.43Å; H50-A54 PolarHBondContact O-N 3.17Å; V51-A54 PolarHBondContact O-N 3.47Å |
| 55 | H | 89.7 | Confident | 86.3 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 7% | 0.069 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 24.6 | -173.8 | -60.5 | -74.5 | 0 | 0 | 0 | 113.6 | A15 I18 I23 V51 L52 A53 D57 F58 F59 | A15-H55 PolarHBondContact O-NE2 3.41Å; I18-H55 PolarHBondContact O-CE1 2.95Å; I23-H55 HydrophobicContact CD1-CB 3.56Å; I23-H55 WeakPolarHBondContact CD1-ND1 3.48Å; V51-H55 PolarHBondContact O-CD2 3.31Å; V51-H55 VanDerWaalsContact O-CD2 3.3Å; V51-H55 PolarHBondContact O-N 3.31Å; V51-H55 VanDerWaalsContact O-N 3.16Å; L52-H55 CarbonylContact O-C 3.59Å; L52-H55 PolarHBondContact O-N 3.03Å; A53-H55 VanDerWaalsContact C-N 3.3Å; A53-H55 PolarHBondContact O-N 3.38Å; H55-D57 PolarHBondContact O-N 3.25Å; H55-F58 HydrophobicContact CB-CB 4.32Å; H55-F58 VanDerWaalsContact O-CB 3.28Å; H55-F58 WeakPolarHBondContact O-CB 3.31Å; H55-F58 PolarHBondContact O-N 3.21Å; H55-F59 HydrophobicContact CB-CE2 4.21Å; H55-F59 WeakPolarHBondContact O-CD2 3.18Å; H55-F59 PolarHBondContact O-N 3.5Å |
| 56 | M | 85.9 | Confident | 85.9 | Confident | 130 Ų | 130 | 60.6 Ų | 60.6 | 64% | 0.64 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -51.9 | -40.7 | 176.7 | -88.9 | -118.1 | -64.2 | 0 | 0 | 112.6 | L52 F58 F59 A60 | L52-M56 VanDerWaalsContact O-CG 3.24Å; L52-M56 WeakPolarHBondContact O-CG 3.29Å; L52-M56 PolarHBondContact O-N 3.15Å; M56-F58 PolarHBondContact O-N 2.75Å; M56-F59 PolarHBondContact O-N 2.92Å; M56-F59 VanDerWaalsContact O-N 3.14Å; M56-A60 WeakPolarHBondContact O-CB 3.37Å; M56-A60 PolarHBondContact O-N 2.92Å |
| 57 | D | 86.9 | Confident | 85.3 | Confident | 131 Ų | 131 | 61.9 Ų | 61.9 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60 | -32 | 178.9 | -59.9 | -19 | 0 | 0 | 0 | 112.7 | H55 A61 | H55-D57 PolarHBondContact O-N 3.25Å; D57-A61 VanDerWaalsContact O-CB 3.27Å; D57-A61 WeakPolarHBondContact O-CB 3.28Å; D57-A61 PolarHBondContact O-N 3.4Å |
| 58 | F | 86.8 | Confident | 84.6 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.6 | -42.1 | 178 | 174.6 | -103.8 | 0 | 0 | 0 | 111.5 | K20 I23 L24 H55 M56 H65 | K20-F58 HydrophobicContact CB-CD2 3.99Å; K20-F58 HydrophobicContact CB-CE2 4.01Å; K20-F58 HydrophobicContact CD-CD2 4Å; K20-F58 HydrophobicContact CG-CD2 4.18Å; I23-F58 HydrophobicContact CB-CE1 4.27Å; I23-F58 HydrophobicContact CD1-CB 4.49Å; I23-F58 HydrophobicContact CD1-CD1 3.95Å; I23-F58 HydrophobicContact CD1-CE1 4.33Å; I23-F58 HydrophobicContact CD1-CG 4.18Å; I23-F58 HydrophobicContact CG2-CD1 4.39Å; I23-F58 HydrophobicContact CG2-CE1 4.36Å; L24-F58 HydrophobicContact CD1-CE1 4.46Å; L24-F58 HydrophobicContact CD1-CZ 4.37Å; L24-F58 HydrophobicContact CG-CE1 4.14Å; L24-F58 HydrophobicContact CG-CZ 4.47Å; H55-F58 HydrophobicContact CB-CB 4.32Å; H55-F58 VanDerWaalsContact O-CB 3.28Å; H55-F58 WeakPolarHBondContact O-CB 3.31Å; H55-F58 PolarHBondContact O-N 3.21Å; M56-F58 PolarHBondContact O-N 2.75Å; F58-H65 AromaticContact CE1-CE1 3.8Å; F58-H65 AromaticContact CE1-ND1 3.14Å; F58-H65 WeakPolarHBondContact CE1-ND1 3.3Å; F58-H65 AromaticContact CE2-CE1 3.81Å; F58-H65 AromaticContact CE2-ND1 3.96Å; F58-H65 AromaticContact CZ-CE1 3.26Å; F58-H65 WeakPolarHBondContact CZ-CE1 3.38Å; F58-H65 AromaticContact CZ-ND1 3.13Å; F58-H65 WeakPolarHBondContact CZ-ND1 3.24Å |
| 59 | F | 83.5 | Confident | 84.1 | Confident | 22 Ų | 22 | 67 Ų | 67 | 10% | 0.096 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -72.4 | -37.3 | 175.8 | -60.4 | -70.8 | 0 | 0 | 0 | 112.2 | I23 L24 I27 L52 H55 M56 A61 N62 H65 V69 | I23-F59 HydrophobicContact CG2-CE1 4.37Å; I23-F59 HydrophobicContact CG2-CE2 4.2Å; I23-F59 HydrophobicContact CG2-CZ 3.52Å; L24-F59 HydrophobicContact CD2-CE1 4.38Å; I27-F59 HydrophobicContact CD1-CE1 4.08Å; I27-F59 HydrophobicContact CD1-CE2 4.38Å; I27-F59 HydrophobicContact CD1-CZ 3.43Å; I27-F59 VanDerWaalsContact CD1-CZ 3.43Å; L52-F59 HydrophobicContact CD2-CD2 4.26Å; L52-F59 HydrophobicContact CD2-CE2 3.67Å; L52-F59 HydrophobicContact CD2-CZ 3.9Å; H55-F59 HydrophobicContact CB-CE2 4.21Å; H55-F59 WeakPolarHBondContact O-CD2 3.18Å; H55-F59 PolarHBondContact O-N 3.5Å; M56-F59 PolarHBondContact O-N 2.92Å; M56-F59 VanDerWaalsContact O-N 3.14Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.16Å; F59-N62 PolarHBondContact O-N 3.35Å; F59-H65 HydrophobicContact CD1-CB 4Å; F59-V69 HydrophobicContact CE1-CG2 3.82Å |
| 60 | A | 84.4 | Confident | 83.5 | Confident | 89 Ų | 89 | 62 Ų | 62 | 74% | 0.736 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.5 | -32.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M56 N62 | M56-A60 WeakPolarHBondContact O-CB 3.37Å; M56-A60 PolarHBondContact O-N 2.92Å; A60-N62 VanDerWaalsContact C-N 3.28Å; A60-N62 PolarHBondContact O-N 3.43Å |
| 61 | A | 85.8 | Confident | 82.7 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 71% | 0.711 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.1 | -23.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D57 F59 | D57-A61 VanDerWaalsContact O-CB 3.27Å; D57-A61 WeakPolarHBondContact O-CB 3.28Å; D57-A61 PolarHBondContact O-N 3.4Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.16Å |
| 62 | N | 83.1 | Confident | 82.1 | Confident | 76 Ų | 76 | 66 Ų | 66 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | trans | -151.4 | 102.3 | -169.8 | -152.2 | -11.2 | 0 | 0 | 0 | 111.7 | F59 A60 N64 H65 | F59-N62 PolarHBondContact O-N 3.35Å; A60-N62 VanDerWaalsContact C-N 3.28Å; A60-N62 PolarHBondContact O-N 3.43Å; N62-N64 PolarHBondContact O-N 2.96Å; N62-H65 VanDerWaalsContact CB-CD2 3.42Å; N62-H65 WeakPolarHBondContact CB-CD2 3.25Å; N62-H65 PolarHBondContact ND2-NE2 3.48Å; N62-H65 WeakPolarHBondContact O-CB 3.4Å; N62-H65 PolarHBondContact O-CD2 3.22Å; N62-H65 PolarHBondContact O-N 2.92Å | ||
| 63 | S | 79 | Confident | 81.4 | Confident | 92 Ų | 92 | 68.6 Ų | 68.6 | 64% | 0.643 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -25.9 | -171.7 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | H65 V66 | S63-H65 PolarHBondContact O-N 2.95Å; S63-V66 PolarHBondContact O-N 3.47Å |
| 64 | N | 83.2 | Confident | 80.7 | Confident | 108 Ų | 108 | 69.2 Ų | 69.2 | 58% | 0.578 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.4 | -26.5 | 178.5 | -65.3 | -12.2 | 0 | 0 | 0 | 112.4 | N62 V66 A67 E68 | N62-N64 PolarHBondContact O-N 2.96Å; N64-V66 VanDerWaalsContact C-N 3.27Å; N64-V66 PolarHBondContact O-N 3.1Å; N64-A67 WeakPolarHBondContact O-CB 3.33Å; N64-A67 PolarHBondContact O-N 3.18Å; N64-E68 PolarHBondContact O-N 2.78Å |
| 65 | H | 80 | Confident | 79.9 | Confident | 27 Ų | 27 | 69.8 Ų | 69.8 | 13% | 0.125 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.7 | -31.2 | 179.6 | -67.5 | -120.2 | 0 | 0 | 0 | 111.2 | L24 F58 F59 N62 S63 A67 E68 V69 | L24-H65 WeakPolarHBondContact CD1-ND1 3.42Å; L24-H65 HydrophobicContact CD2-CB 4.28Å; F58-H65 AromaticContact CE1-CE1 3.8Å; F58-H65 AromaticContact CE1-ND1 3.14Å; F58-H65 WeakPolarHBondContact CE1-ND1 3.3Å; F58-H65 AromaticContact CE2-CE1 3.81Å; F58-H65 AromaticContact CE2-ND1 3.96Å; F58-H65 AromaticContact CZ-CE1 3.26Å; F58-H65 WeakPolarHBondContact CZ-CE1 3.38Å; F58-H65 AromaticContact CZ-ND1 3.13Å; F58-H65 WeakPolarHBondContact CZ-ND1 3.24Å; F59-H65 HydrophobicContact CD1-CB 4Å; N62-H65 VanDerWaalsContact CB-CD2 3.42Å; N62-H65 WeakPolarHBondContact CB-CD2 3.25Å; N62-H65 PolarHBondContact ND2-NE2 3.48Å; N62-H65 WeakPolarHBondContact O-CB 3.4Å; N62-H65 PolarHBondContact O-CD2 3.22Å; N62-H65 PolarHBondContact O-N 2.92Å; S63-H65 PolarHBondContact O-N 2.95Å; H65-A67 VanDerWaalsContact C-N 3.32Å; H65-E68 PolarHBondContact O-N 3.3Å; H65-V69 WeakPolarHBondContact O-CG2 3.29Å; H65-V69 PolarHBondContact O-N 3.41Å; H65-V69 VanDerWaalsContact O-N 3.15Å |
| 66 | V | 75.2 | Confident | 78.9 | Confident | 70 Ų | 70 | 71.5 Ų | 71.5 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | S63 N64 V69 A70 | S63-V66 PolarHBondContact O-N 3.47Å; N64-V66 VanDerWaalsContact C-N 3.27Å; N64-V66 PolarHBondContact O-N 3.1Å; V66-V69 PolarHBondContact O-N 3.05Å; V66-A70 PolarHBondContact O-N 3.43Å |
| 67 | A | 75.7 | Confident | 78 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.4 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N64 H65 V69 A70 | N64-A67 WeakPolarHBondContact O-CB 3.33Å; N64-A67 PolarHBondContact O-N 3.18Å; H65-A67 VanDerWaalsContact C-N 3.32Å; A67-V69 VanDerWaalsContact C-N 3.33Å; A67-V69 PolarHBondContact O-N 3.5Å; A67-A70 VanDerWaalsContact O-CB 3.25Å; A67-A70 WeakPolarHBondContact O-CB 3.5Å; A67-A70 PolarHBondContact O-N 2.89Å |
| 68 | E | 75 | Confident | 76.9 | Confident | 122 Ų | 122 | 65.4 Ų | 65.4 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.7 | -31 | 177 | -70.8 | -179.7 | -171.1 | 0 | 0 | 112.9 | L24 N64 H65 A70 | L24-E68 WeakPolarHBondContact CD1-OE2 3.48Å; L24-E68 HydrophobicContact CD2-CB 4.24Å; N64-E68 PolarHBondContact O-N 2.78Å; H65-E68 PolarHBondContact O-N 3.3Å; E68-A70 VanDerWaalsContact C-N 3.33Å |
| 69 | V | 78 | Confident | 75.6 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 8% | 0.079 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -84.9 | -10.4 | 175.7 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | L24 I27 F59 H65 V66 A67 D71 I72 | L24-V69 HydrophobicContact CD2-CG2 3.82Å; I27-V69 HydrophobicContact CB-CG2 4.42Å; I27-V69 HydrophobicContact CD1-CG2 4.06Å; I27-V69 HydrophobicContact CG2-CB 4.15Å; I27-V69 HydrophobicContact CG2-CG1 3.57Å; I27-V69 HydrophobicContact CG2-CG2 3.73Å; F59-V69 HydrophobicContact CE1-CG2 3.82Å; H65-V69 WeakPolarHBondContact O-CG2 3.29Å; H65-V69 PolarHBondContact O-N 3.41Å; H65-V69 VanDerWaalsContact O-N 3.15Å; V66-V69 PolarHBondContact O-N 3.05Å; A67-V69 VanDerWaalsContact C-N 3.33Å; A67-V69 PolarHBondContact O-N 3.5Å; V69-D71 PolarHBondContact O-N 3.33Å; V69-I72 HydrophobicContact CG1-CD1 4.41Å; V69-I72 PolarHBondContact O-N 3.36Å |
| 70 | A | 74.3 | Confident | 74.5 | Confident | 37 Ų | 37 | 75.7 Ų | 75.7 | 31% | 0.306 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -61.5 | -24.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V66 A67 E68 I72 F73 | V66-A70 PolarHBondContact O-N 3.43Å; A67-A70 VanDerWaalsContact O-CB 3.25Å; A67-A70 WeakPolarHBondContact O-CB 3.5Å; A67-A70 PolarHBondContact O-N 2.89Å; E68-A70 VanDerWaalsContact C-N 3.33Å; A70-I72 PolarHBondContact O-N 3.41Å; A70-F73 VanDerWaalsContact CA-CD2 3.46Å; A70-F73 HydrophobicContact CB-CD2 4Å; A70-F73 HydrophobicContact CB-CE2 4.2Å; A70-F73 WeakPolarHBondContact O-CD2 3.18Å; A70-F73 PolarHBondContact O-N 3.43Å |
| 71 | D | 72.7 | Confident | 73.5 | Confident | 99 Ų | 99 | 75.3 Ų | 75.3 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -58 | -18.3 | 175.8 | -82.3 | 8.3 | 0 | 0 | 0 | 113.8 | R35 V69 F75 | R35-D71 IonicContact NH2-OD2 3.97Å; V69-D71 PolarHBondContact O-N 3.33Å; D71-F75 VanDerWaalsContact O-CD2 3.23Å; D71-F75 WeakPolarHBondContact O-CD2 3.37Å; D71-F75 WeakPolarHBondContact O-CE2 3.41Å |
| 72 | I | 77.8 | Confident | 72.7 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.021 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -82.4 | -29.7 | 176.9 | -70.4 | 179.9 | 0 | 0 | 0 | 112.9 | I27 A31 L34 L48 V69 A70 P74 F75 L76 | I27-I72 HydrophobicContact CB-CD1 4.42Å; I27-I72 HydrophobicContact CG2-CD1 3.19Å; I27-I72 HydrophobicContact CG2-CG1 4.41Å; I27-I72 WeakPolarHBondContact O-CD1 3.44Å; A31-I72 HydrophobicContact CB-CD1 4.01Å; A31-I72 HydrophobicContact CB-CG1 3.43Å; A31-I72 VanDerWaalsContact CB-CG1 3.43Å; L34-I72 HydrophobicContact CD1-CG2 4.12Å; L48-I72 HydrophobicContact CD1-CD1 3.97Å; L48-I72 HydrophobicContact CD2-CG2 3.8Å; V69-I72 HydrophobicContact CG1-CD1 4.41Å; V69-I72 PolarHBondContact O-N 3.36Å; A70-I72 PolarHBondContact O-N 3.41Å; I72-P74 VanDerWaalsContact C-CD 3.41Å; I72-F75 PolarHBondContact O-N 2.86Å; I72-L76 HydrophobicContact CG2-CD1 3.86Å; I72-L76 HydrophobicContact CG2-CD2 4.07Å; I72-L76 HydrophobicContact CG2-CG 3.73Å; I72-L76 PolarHBondContact O-N 3.14Å |
| 73 | F | 74.4 | Confident | 71.9 | Confident | 110 Ų | 110 | 77 Ų | 77 | 48% | 0.482 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.3 | -38.7 | -172.4 | -69.2 | -59.1 | 0 | 0 | 0 | 114.9 | A70 F75 L76 S77 | A70-F73 VanDerWaalsContact CA-CD2 3.46Å; A70-F73 HydrophobicContact CB-CD2 4Å; A70-F73 HydrophobicContact CB-CE2 4.2Å; A70-F73 WeakPolarHBondContact O-CD2 3.18Å; A70-F73 PolarHBondContact O-N 3.43Å; F73-F75 PolarHBondContact O-N 2.86Å; F73-L76 HydrophobicContact CD1-CD1 4Å; F73-L76 HydrophobicContact CE1-CD1 4.43Å; F73-L76 PolarHBondContact O-N 3.31Å; F73-S77 PolarHBondContact O-N 3.44Å; F73-S77 PolarHBondContact O-OG 3.01Å |
| 74 | P | 73.6 | Confident | 71.7 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 52% | 0.519 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.4 | -36.6 | 174.6 | -25.5 | 35.5 | 0 | 0 | 0 | 113 | I72 S77 S78 | I72-P74 VanDerWaalsContact C-CD 3.41Å; P74-S77 PolarHBondContact O-N 3.08Å; P74-S78 PolarHBondContact O-N 3.38Å |
| 75 | F | 71.9 | Confident | 71.1 | Confident | 52 Ų | 52 | 75.7 Ų | 75.7 | 23% | 0.228 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -84.4 | -14.2 | -177.8 | -52.5 | -78.3 | 0 | 0 | 0 | 113.4 | L34 R35 R41 D71 I72 F73 S77 S78 | L34-F75 HydrophobicContact CB-CB 4.04Å; L34-F75 HydrophobicContact CB-CG 4.37Å; L34-F75 HydrophobicContact CD1-CB 3.97Å; R35-F75 HydrophobicContact CG-CD1 4.16Å; R35-F75 HydrophobicContact CG-CE1 3.48Å; R35-F75 VanDerWaalsContact CG-CE1 3.48Å; R35-F75 HydrophobicContact CG-CE2 4.02Å; R35-F75 HydrophobicContact CG-CZ 3.41Å; R35-F75 VanDerWaalsContact CG-CZ 3.41Å; R35-F75 VanDerWaalsContact NE-CE2 3.35Å; R41-F75 PolarHBondContact NH2-O 2.9Å; D71-F75 VanDerWaalsContact O-CD2 3.23Å; D71-F75 WeakPolarHBondContact O-CD2 3.37Å; D71-F75 WeakPolarHBondContact O-CE2 3.41Å; I72-F75 PolarHBondContact O-N 2.86Å; F73-F75 PolarHBondContact O-N 2.86Å; F75-S77 VanDerWaalsContact C-N 3.33Å; F75-S78 PolarHBondContact O-OG 2.85Å |
| 76 | L | 70.2 | Confident | 70.8 | Confident | 51 Ų | 51 | 77 Ų | 77 | 27% | 0.267 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -77.8 | -28 | 168 | -63.1 | 178 | 0 | 0 | 0 | 111.4 | L45 L48 I72 F73 | L45-L76 HydrophobicContact CD2-CD2 3.22Å; L48-L76 HydrophobicContact CD2-CD1 4.24Å; L48-L76 HydrophobicContact CD2-CD2 3.73Å; L48-L76 HydrophobicContact CD2-CG 4.49Å; I72-L76 HydrophobicContact CG2-CD1 3.86Å; I72-L76 HydrophobicContact CG2-CD2 4.07Å; I72-L76 HydrophobicContact CG2-CG 3.73Å; I72-L76 PolarHBondContact O-N 3.14Å; F73-L76 HydrophobicContact CD1-CD1 4Å; F73-L76 HydrophobicContact CE1-CD1 4.43Å; F73-L76 PolarHBondContact O-N 3.31Å |
| 77 | S | 65.6 | Low | 70.8 | Confident | 94 Ų | 94 | 78.9 Ų | 78.9 | 66% | 0.657 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -91 | -19.7 | -173.4 | -45.6 | 0 | 0 | 0 | 0 | 113 | F73 P74 F75 | F73-S77 PolarHBondContact O-N 3.44Å; F73-S77 PolarHBondContact O-OG 3.01Å; P74-S77 PolarHBondContact O-N 3.08Å; F75-S77 VanDerWaalsContact C-N 3.33Å |
| 78 | S | 64.3 | Low | 70.8 | Confident | 40 Ų | 40 | 81.2 Ų | 81.2 | 28% | 0.28 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 137.6 | -175.9 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | R41 P74 F75 L80 | R41-S78 PolarHBondContact NH1-O 3.12Å; R41-S78 PolarHBondContact NH2-O 2.84Å; R41-S78 PolarHBondContact NH2-OG 3.19Å; P74-S78 PolarHBondContact O-N 3.38Å; F75-S78 PolarHBondContact O-OG 2.85Å; S78-L80 VanDerWaalsContact C-N 3.28Å; S78-L80 PolarHBondContact O-N 3.14Å |
| 79 | D | 60.8 | Low | 70.8 | Confident | 144 Ų | 144 | 80 Ų | 80 | 77% | 0.77 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 30 | 164.7 | -50.2 | -34.4 | 0 | 0 | 0 | 117.3 | P81 | D79-P81 VanDerWaalsContact O-CD 3.29Å; D79-P81 WeakPolarHBondContact O-CD 3.48Å |
| 80 | L | 59.6 | Low | 70.8 | Confident | 126 Ų | 126 | 82.2 Ų | 82.2 | 66% | 0.66 | 45% | 0.451 | S | S | * | . | trans | -76.8 | 114.4 | 157.7 | -78.8 | 160.8 | 0 | 0 | 0 | 106.8 | S78 S82 | S78-L80 VanDerWaalsContact C-N 3.28Å; S78-L80 PolarHBondContact O-N 3.14Å; L80-S82 PolarHBondContact O-N 3.22Å | ||
| 81 | P | 62.6 | Low | 70.9 | Confident | 82 Ų | 82 | 81.7 Ų | 81.7 | 53% | 0.532 | 45% | 0.449 | S | S | . | . | trans | -53.6 | 138.7 | 173.1 | 22.1 | -31.8 | 0 | 0 | 0 | 108.2 | D79 L83 V86 | D79-P81 VanDerWaalsContact O-CD 3.29Å; D79-P81 WeakPolarHBondContact O-CD 3.48Å; P81-L83 PolarHBondContact O-N 3.44Å; P81-V86 HydrophobicContact CB-CG2 3.75Å; P81-V86 HydrophobicContact CG-CG2 3.48Å; P81-V86 VanDerWaalsContact CG-CG2 3.48Å | ||
| 82 | S | 69.3 | Low | 71 | Confident | 70 Ų | 70 | 85.1 Ų | 85.1 | 49% | 0.49 | 45% | 0.454 | S | S | . | . | trans | -51.8 | 135.4 | -178.4 | 68.9 | 0 | 0 | 0 | 0 | 108.4 | L80 E84 S85 V86 | L80-S82 PolarHBondContact O-N 3.22Å; S82-E84 PolarHBondContact O-N 2.83Å; S82-E84 VanDerWaalsContact O-N 3.07Å; S82-S85 PolarHBondContact N-OG 3.42Å; S82-S85 WeakPolarHBondContact O-CA 3.41Å; S82-S85 WeakPolarHBondContact O-CB 3.48Å; S82-S85 PolarHBondContact O-N 2.83Å; S82-S85 PolarHBondContact O-OG 2.96Å; S82-S85 VanDerWaalsContact OG-CB 3.3Å; S82-S85 WeakPolarHBondContact OG-CB 3.12Å; S82-S85 PolarHBondContact OG-N 3.28Å; S82-S85 PolarHBondContact OG-OG 3.43Å; S82-V86 PolarHBondContact O-N 3.05Å; S82-V86 VanDerWaalsContact O-N 3.14Å | ||
| 83 | L | 67.3 | Low | 70.8 | Confident | 128 Ų | 128 | 90.8 Ų | 90.8 | 67% | 0.67 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -50.8 | -41.3 | -177.6 | -169.6 | 72.1 | 0 | 0 | 0 | 109.8 | P81 S85 V86 W87 | P81-L83 PolarHBondContact O-N 3.44Å; L83-S85 PolarHBondContact O-N 3.19Å; L83-V86 PolarHBondContact O-N 3.17Å; L83-W87 WeakPolarHBondContact O-CB 3.42Å; L83-W87 PolarHBondContact O-N 2.67Å |
| 84 | E | 74.4 | Confident | 70.7 | Confident | 120 Ų | 120 | 89.5 Ų | 89.5 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -54 | -44.8 | 173.1 | -167.3 | -170 | 166.4 | 0 | 0 | 114.1 | S82 W87 K88 | S82-E84 PolarHBondContact O-N 2.83Å; S82-E84 VanDerWaalsContact O-N 3.07Å; E84-W87 PolarHBondContact O-N 3.26Å; E84-K88 HydrophobicContact CG-CD 4.5Å; E84-K88 WeakPolarHBondContact O-CB 3.27Å; E84-K88 WeakPolarHBondContact O-CG 3.4Å; E84-K88 PolarHBondContact O-N 2.97Å; E84-K88 WeakPolarHBondContact OE1-CE 3.12Å; E84-K88 IonicContact OE1-NZ 2.64Å; E84-K88 PolarHBondContact OE1-NZ 3.37Å |
| 85 | S | 71.4 | Confident | 70.5 | Confident | 51 Ų | 51 | 89.9 Ų | 89.9 | 36% | 0.357 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 179.2 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | S82 L83 L89 | S82-S85 PolarHBondContact N-OG 3.42Å; S82-S85 WeakPolarHBondContact O-CA 3.41Å; S82-S85 WeakPolarHBondContact O-CB 3.48Å; S82-S85 PolarHBondContact O-N 2.83Å; S82-S85 PolarHBondContact O-OG 2.96Å; S82-S85 VanDerWaalsContact OG-CB 3.3Å; S82-S85 WeakPolarHBondContact OG-CB 3.12Å; S82-S85 PolarHBondContact OG-N 3.28Å; S82-S85 PolarHBondContact OG-OG 3.43Å; L83-S85 PolarHBondContact O-N 3.19Å; S85-L89 PolarHBondContact O-N 3.25Å |
| 86 | V | 73.4 | Confident | 70.3 | Confident | 56 Ų | 56 | 93 Ų | 93 | 34% | 0.339 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 174.5 | -178.9 | 0 | 0 | 0 | 0 | 110 | P81 S82 L83 L89 V90 | P81-V86 HydrophobicContact CB-CG2 3.75Å; P81-V86 HydrophobicContact CG-CG2 3.48Å; P81-V86 VanDerWaalsContact CG-CG2 3.48Å; S82-V86 PolarHBondContact O-N 3.05Å; S82-V86 VanDerWaalsContact O-N 3.14Å; L83-V86 PolarHBondContact O-N 3.17Å; V86-L89 WeakPolarHBondContact O-CB 3.26Å; V86-L89 PolarHBondContact O-N 2.88Å; V86-L89 VanDerWaalsContact O-N 3.16Å; V86-V90 HydrophobicContact CG1-CG2 4.37Å; V86-V90 WeakPolarHBondContact O-CG2 3.14Å; V86-V90 PolarHBondContact O-N 3.22Å |
| 87 | W | 74.8 | Confident | 70.2 | Confident | 108 Ų | 108 | 94.9 Ų | 94.9 | 41% | 0.409 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | -180 | -81.2 | 61.6 | 0 | 0 | 0 | 112.5 | L83 E84 L89 V90 G91 W144 L147 | L83-W87 WeakPolarHBondContact O-CB 3.42Å; L83-W87 PolarHBondContact O-N 2.67Å; E84-W87 PolarHBondContact O-N 3.26Å; W87-L89 VanDerWaalsContact C-N 3.29Å; W87-L89 PolarHBondContact O-N 2.72Å; W87-V90 PolarHBondContact O-N 3.05Å; W87-G91 PolarHBondContact O-N 2.87Å; W87-W144 AromaticContact CE3-CH2 3.77Å; W87-W144 HydrophobicContact CE3-CH2 3.77Å; W87-W144 AromaticContact CE3-CZ3 3.89Å; W87-W144 HydrophobicContact CE3-CZ3 3.89Å; W87-W144 HydrophobicContact CH2-CE3 4.46Å; W87-W144 AromaticContact CH2-CH2 3.7Å; W87-W144 HydrophobicContact CH2-CH2 3.7Å; W87-W144 HydrophobicContact CH2-CZ2 4.07Å; W87-W144 AromaticContact CH2-CZ3 3.94Å; W87-W144 HydrophobicContact CH2-CZ3 3.94Å; W87-W144 AromaticContact CZ3-CE3 3.94Å; W87-W144 HydrophobicContact CZ3-CE3 3.94Å; W87-W144 AromaticContact CZ3-CH2 3.15Å; W87-W144 HydrophobicContact CZ3-CH2 3.15Å; W87-W144 AromaticContact CZ3-CZ2 3.99Å; W87-W144 HydrophobicContact CZ3-CZ2 3.99Å; W87-W144 AromaticContact CZ3-CZ3 3.15Å; W87-W144 HydrophobicContact CZ3-CZ3 3.15Å; W87-L147 HydrophobicContact CZ3-CD2 4.5Å |
| 88 | K | 76 | Confident | 70 | Confident | 118 Ų | 118 | 97 Ų | 97 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 171.5 | -77.8 | 176.8 | -175.2 | 168.2 | 0 | 111.7 | E84 R92 | E84-K88 HydrophobicContact CG-CD 4.5Å; E84-K88 WeakPolarHBondContact O-CB 3.27Å; E84-K88 WeakPolarHBondContact O-CG 3.4Å; E84-K88 PolarHBondContact O-N 2.97Å; E84-K88 WeakPolarHBondContact OE1-CE 3.12Å; E84-K88 IonicContact OE1-NZ 2.64Å; E84-K88 PolarHBondContact OE1-NZ 3.37Å; K88-R92 WeakPolarHBondContact O-CB 3.46Å; K88-R92 VanDerWaalsContact O-CG 3.27Å; K88-R92 WeakPolarHBondContact O-CG 3.16Å; K88-R92 PolarHBondContact O-N 2.95Å |
| 89 | L | 74.3 | Confident | 69.6 | Low | 97 Ų | 97 | 102.6 Ų | 102.6 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -43.8 | 177.4 | -167.5 | 70.5 | 0 | 0 | 0 | 111.5 | S85 V86 W87 R92 F93 | S85-L89 PolarHBondContact O-N 3.25Å; V86-L89 WeakPolarHBondContact O-CB 3.26Å; V86-L89 PolarHBondContact O-N 2.88Å; V86-L89 VanDerWaalsContact O-N 3.16Å; W87-L89 VanDerWaalsContact C-N 3.29Å; W87-L89 PolarHBondContact O-N 2.72Å; L89-R92 PolarHBondContact O-N 3.12Å; L89-F93 HydrophobicContact CD1-CD2 4.45Å; L89-F93 HydrophobicContact CD1-CE2 4.29Å; L89-F93 HydrophobicContact CD2-CE2 4.5Å; L89-F93 HydrophobicContact CG-CD2 4.07Å; L89-F93 HydrophobicContact CG-CE2 4.14Å; L89-F93 WeakPolarHBondContact O-CD2 3.13Å; L89-F93 PolarHBondContact O-N 3.43Å |
| 90 | V | 78.3 | Confident | 69 | Low | 60 Ų | 60 | 98.5 Ų | 98.5 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | V86 W87 R92 F93 Q94 | V86-V90 HydrophobicContact CG1-CG2 4.37Å; V86-V90 WeakPolarHBondContact O-CG2 3.14Å; V86-V90 PolarHBondContact O-N 3.22Å; W87-V90 PolarHBondContact O-N 3.05Å; V90-R92 VanDerWaalsContact C-N 3.32Å; V90-R92 PolarHBondContact O-N 2.89Å; V90-F93 PolarHBondContact O-N 3.05Å; V90-F93 VanDerWaalsContact O-N 3.17Å; V90-Q94 PolarHBondContact O-N 3.36Å |
| 91 | G | 75.1 | Confident | 68.3 | Low | 26 Ų | 26 | 99.3 Ų | 99.3 | 27% | 0.268 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W87 Q94 L95 | W87-G91 PolarHBondContact O-N 2.87Å; G91-Q94 PolarHBondContact O-N 2.99Å; G91-L95 WeakPolarHBondContact O-CG 3.28Å; G91-L95 PolarHBondContact O-N 3.34Å |
| 92 | R | 75.5 | Confident | 67.2 | Low | 170 Ų | 170 | 100.1 Ų | 100.1 | 64% | 0.642 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.7 | -40.6 | 173.2 | -75.3 | 173.6 | 179.8 | -175.2 | 0.1 | 112.6 | K88 L89 V90 L95 L96 | K88-R92 WeakPolarHBondContact O-CB 3.46Å; K88-R92 VanDerWaalsContact O-CG 3.27Å; K88-R92 WeakPolarHBondContact O-CG 3.16Å; K88-R92 PolarHBondContact O-N 2.95Å; L89-R92 PolarHBondContact O-N 3.12Å; V90-R92 VanDerWaalsContact C-N 3.32Å; V90-R92 PolarHBondContact O-N 2.89Å; R92-L95 PolarHBondContact O-N 3.49Å; R92-L96 WeakPolarHBondContact O-CG 3.38Å; R92-L96 PolarHBondContact O-N 3.24Å |
| 93 | F | 73.3 | Confident | 65.9 | Low | 124 Ų | 124 | 101.5 Ų | 101.5 | 54% | 0.544 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 174.5 | -94.3 | -73.9 | 0 | 0 | 0 | 111.9 | L89 V90 L96 T97 | L89-F93 HydrophobicContact CD1-CD2 4.45Å; L89-F93 HydrophobicContact CD1-CE2 4.29Å; L89-F93 HydrophobicContact CD2-CE2 4.5Å; L89-F93 HydrophobicContact CG-CD2 4.07Å; L89-F93 HydrophobicContact CG-CE2 4.14Å; L89-F93 WeakPolarHBondContact O-CD2 3.13Å; L89-F93 PolarHBondContact O-N 3.43Å; V90-F93 PolarHBondContact O-N 3.05Å; V90-F93 VanDerWaalsContact O-N 3.17Å; F93-L96 PolarHBondContact O-N 3.31Å; F93-T97 WeakPolarHBondContact O-CG2 3.23Å; F93-T97 PolarHBondContact O-N 3.45Å; F93-T97 PolarHBondContact O-OG1 3.19Å; F93-T97 VanDerWaalsContact O-OG1 3.07Å |
| 94 | Q | 73.1 | Confident | 64.7 | Low | 82 Ų | 82 | 104.8 Ų | 104.8 | 38% | 0.383 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.4 | -44.4 | 172.8 | -86.1 | 174.9 | -21 | 0 | 0 | 111.9 | V90 G91 L96 T97 E98 | V90-Q94 PolarHBondContact O-N 3.36Å; G91-Q94 PolarHBondContact O-N 2.99Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 2.9Å; Q94-T97 WeakPolarHBondContact CA-OG1 3.38Å; Q94-T97 PolarHBondContact O-N 3.41Å; Q94-T97 PolarHBondContact O-OG1 3.11Å; Q94-E98 WeakPolarHBondContact O-CB 3.41Å; Q94-E98 WeakPolarHBondContact O-CG 3.42Å; Q94-E98 PolarHBondContact O-N 2.58Å |
| 95 | L | 69.6 | Low | 62.8 | Low | 89 Ų | 89 | 104.6 Ų | 104.6 | 47% | 0.466 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.3 | -44 | 173.2 | -70.1 | 166.9 | 0 | 0 | 0 | 110.7 | G91 R92 T97 E98 F99 | G91-L95 WeakPolarHBondContact O-CG 3.28Å; G91-L95 PolarHBondContact O-N 3.34Å; R92-L95 PolarHBondContact O-N 3.49Å; L95-T97 VanDerWaalsContact C-N 3.3Å; L95-T97 PolarHBondContact O-N 3.29Å; L95-E98 PolarHBondContact O-N 3.4Å; L95-F99 HydrophobicContact CB-CD2 4.19Å; L95-F99 HydrophobicContact CB-CE2 4.42Å; L95-F99 HydrophobicContact CD2-CD2 4.37Å; L95-F99 HydrophobicContact CD2-CE2 3.8Å; L95-F99 VanDerWaalsContact O-CB 3.3Å; L95-F99 WeakPolarHBondContact O-CB 3.36Å; L95-F99 WeakPolarHBondContact O-CD2 3.36Å; L95-F99 PolarHBondContact O-N 3.02Å |
| 96 | L | 66.4 | Low | 61 | Low | 118 Ų | 118 | 107.7 Ų | 107.7 | 62% | 0.618 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.6 | -30 | 177.6 | -73.8 | 171.2 | 0 | 0 | 0 | 113.4 | R92 F93 Q94 G100 | R92-L96 WeakPolarHBondContact O-CG 3.38Å; R92-L96 PolarHBondContact O-N 3.24Å; F93-L96 PolarHBondContact O-N 3.31Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 2.9Å; L96-G100 WeakPolarHBondContact O-CA 3.46Å; L96-G100 PolarHBondContact O-N 3.45Å |
| 97 | T | 68.3 | Low | 59.3 | Low | 90 Ų | 90 | 113.3 Ų | 113.3 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -81.6 | -30.8 | 174.8 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | F93 Q94 L95 | F93-T97 WeakPolarHBondContact O-CG2 3.23Å; F93-T97 PolarHBondContact O-N 3.45Å; F93-T97 PolarHBondContact O-OG1 3.19Å; F93-T97 VanDerWaalsContact O-OG1 3.07Å; Q94-T97 WeakPolarHBondContact CA-OG1 3.38Å; Q94-T97 PolarHBondContact O-N 3.41Å; Q94-T97 PolarHBondContact O-OG1 3.11Å; L95-T97 VanDerWaalsContact C-N 3.3Å; L95-T97 PolarHBondContact O-N 3.29Å |
| 98 | E | 61.9 | Low | 57.3 | Low | 137 Ų | 137 | 118.6 Ų | 118.6 | 64% | 0.64 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.2 | -37 | 172.8 | -75.2 | 178.5 | 175.2 | 0 | 0 | 112.5 | Q94 L95 | Q94-E98 WeakPolarHBondContact O-CB 3.41Å; Q94-E98 WeakPolarHBondContact O-CG 3.42Å; Q94-E98 PolarHBondContact O-N 2.58Å; L95-E98 PolarHBondContact O-N 3.4Å |
| 99 | F | 56.2 | Low | 55.2 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 70% | 0.697 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -87.3 | -15.4 | 174.1 | -72.2 | -70.8 | 0 | 0 | 0 | 113.3 | L95 I101 | L95-F99 HydrophobicContact CB-CD2 4.19Å; L95-F99 HydrophobicContact CB-CE2 4.42Å; L95-F99 HydrophobicContact CD2-CD2 4.37Å; L95-F99 HydrophobicContact CD2-CE2 3.8Å; L95-F99 VanDerWaalsContact O-CB 3.3Å; L95-F99 WeakPolarHBondContact O-CB 3.36Å; L95-F99 WeakPolarHBondContact O-CD2 3.36Å; L95-F99 PolarHBondContact O-N 3.02Å; F99-I101 VanDerWaalsContact C-N 3.27Å; F99-I101 PolarHBondContact O-N 3.03Å |
| 100 | G | 47.9 | Very low | 53.4 | Low | 57 Ų | 57 | 123 Ų | 123 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -81.3 | 2.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L96 | L96-G100 WeakPolarHBondContact O-CA 3.46Å; L96-G100 PolarHBondContact O-N 3.45Å |
| 101 | I | 45.1 | Very low | 51.2 | Low | 143 Ų | 143 | 124.8 Ų | 124.8 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | trans | -132 | 87.2 | 171.3 | -50.1 | 173.6 | 0 | 0 | 0 | 106.1 | F99 | F99-I101 VanDerWaalsContact C-N 3.27Å; F99-I101 PolarHBondContact O-N 3.03Å | ||
| 102 | P | 40.3 | Very low | 49.1 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | -148.7 | 124.1 | 89.3 | 34.3 | -14.6 | 0 | 0 | 0 | 114.3 | |||||
| 103 | A | 41.7 | Very low | 47 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -131.7 | 33.6 | 158 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 104 | E | 40.5 | Very low | 45.1 | Very low | 197 Ų | 197 | 129.6 Ų | 129.6 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -97.7 | 12.9 | 165.9 | -73 | -158.1 | 158.8 | 0 | 0 | 113.1 | ||
| 105 | T | 35.5 | Very low | 43.2 | Very low | 116 Ų | 116 | 134 Ų | 134 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | trans | -124.7 | 62.4 | 172 | 58.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 106 | S | 33.9 | Very low | 41.5 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -98.9 | 92.8 | 149.9 | -179.1 | 0 | 0 | 0 | 0 | 107.1 | R108 | S106-R108 PolarHBondContact O-N 3.38Š| ||
| 107 | E | 38 | Very low | 39.9 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -25.8 | 117.2 | 156.7 | -56.3 | 173.7 | 165 | 0 | 0 | 110.8 | ||||
| 108 | R | 32.1 | Very low | 38.2 | Very low | 219 Ų | 219 | 142.7 Ų | 142.7 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | 49.4 | 116 | 95.4 | -173.4 | 163.7 | -176.9 | 167.2 | 4.8 | 112.6 | S106 | S106-R108 PolarHBondContact O-N 3.38Š| |||
| 109 | E | 32 | Very low | 36.7 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | 95.3 | 83.1 | 166.1 | -66.9 | 173.2 | -163.5 | 0 | 0 | 118.6 | ||||
| 110 | V | 36.4 | Very low | 35.6 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 92% | 0.915 | 79% | 0.786 | S | S | * | * | -135 | 118.5 | 121.2 | 179.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 111 | S | 32.4 | Very low | 34.7 | Very low | 97 Ų | 97 | 146.7 Ų | 146.7 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -65.8 | 157.4 | 179.9 | -57.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 112 | S | 31.6 | Very low | 34.2 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 103.5 | 112 | 140.4 | -38.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 113 | N | 30.5 | Very low | 33.7 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 58.1 | 103.5 | 139.4 | -64.3 | -4.3 | 0 | 0 | 0 | 119.1 | ||||
| 114 | N | 33.4 | Very low | 33.3 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | -160.4 | 129.6 | 108.7 | -118.1 | -7.4 | 0 | 0 | 0 | 113 | |||||
| 115 | E | 33.2 | Very low | 33.1 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -64.6 | 137.2 | 165.7 | -60.7 | 169 | 126.9 | 0 | 0 | 110.2 | ||||
| 116 | Q | 33.7 | Very low | 33 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | 153.6 | 137.8 | 122.1 | -88.9 | 178.6 | -43.2 | 0 | 0 | 113.7 | |||||
| 117 | K | 33.3 | Very low | 33 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | 84 | 95.8 | 151.8 | -89.4 | 176.8 | 170.9 | 176.2 | 0 | 119.2 | ||||
| 118 | A | 33 | Very low | 33 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -49 | 126.4 | 136.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 119 | A | 30.6 | Very low | 33.4 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | trans | -179.1 | 126.9 | 130.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 120 | S | 31.2 | Very low | 33.8 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 72.9 | 112.3 | 145.1 | 51.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 121 | R | 30.1 | Very low | 34 | Very low | 234 Ų | 234 | 140.6 Ų | 140.6 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | 76.6 | 101.1 | 123.8 | -157.2 | 178.2 | -172.4 | 173.5 | 1.5 | 119.5 | |||||
| 122 | A | 35.3 | Very low | 34.5 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -154.6 | 111.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 123 | E | 29.3 | Very low | 35.4 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | 36.2 | 75.1 | 85.8 | -71.2 | -158.1 | -173.9 | 0 | 0 | 113 | |||||
| 124 | E | 32.3 | Very low | 36.1 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -177.1 | 100 | 154.4 | -109.4 | 171.2 | -178 | 0 | 0 | 108 | ||||
| 125 | N | 37.3 | Very low | 36.6 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -134.4 | 90 | 149.6 | -91.9 | -22 | 0 | 0 | 0 | 104.4 | D127 | N125-D127 PolarHBondContact O-N 3.06Š| ||
| 126 | G | 33.8 | Very low | 37.4 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | -58.8 | 123.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L128 | G126-L128 PolarHBondContact O-N 3.42Š| ||
| 127 | D | 33.3 | Very low | 38 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -63.7 | 60 | 151.9 | -85.4 | -31 | 0 | 0 | 0 | 109.5 | N125 L129 | N125-D127 PolarHBondContact O-N 3.06Å; D127-L129 PolarHBondContact O-N 3.05Å | ||
| 128 | L | 37.8 | Very low | 38.5 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 82% | 0.817 | 73% | 0.734 | S | S | * | * | trans | -73.7 | 74.7 | 154.2 | -93.3 | 162.5 | 0 | 0 | 0 | 106.1 | G126 S130 | G126-L128 PolarHBondContact O-N 3.42Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 3.27Å | ||
| 129 | L | 39.9 | Very low | 39.3 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | trans | -52.7 | 101.9 | 163.8 | -79.8 | 164.5 | 0 | 0 | 0 | 107.8 | D127 T131 | D127-L129 PolarHBondContact O-N 3.05Å; L129-T131 PolarHBondContact O-N 3.05Å | ||
| 130 | S | 41.4 | Very low | 39.9 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | trans | 7.5 | 79.7 | 154 | -60.4 | 0 | 0 | 0 | 0 | 115.6 | L128 T132 | L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 3.27Å; S130-T132 PolarHBondContact O-N 2.94Å | ||
| 131 | T | 41.5 | Very low | 41 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | -78.1 | -2.3 | 159.6 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | L129 N133 | L129-T131 PolarHBondContact O-N 3.05Å; T131-N133 PolarHBondContact O-N 3.04Å; T131-N133 VanDerWaalsContact O-N 3.16Å | ||
| 132 | T | 41.9 | Very low | 42 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 90 | 170.4 | 51.5 | 0 | 0 | 0 | 0 | 109 | S130 | S130-T132 PolarHBondContact O-N 2.94Š|
| 133 | N | 51.1 | Low | 42.5 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 168.8 | 2.9 | 145.3 | -83.6 | -30.7 | 0 | 0 | 0 | 115.5 | T131 W135 S136 | T131-N133 PolarHBondContact O-N 3.04Å; T131-N133 VanDerWaalsContact O-N 3.16Å; N133-W135 PolarHBondContact O-N 3.34Å; N133-S136 PolarHBondContact O-N 3.3Å; N133-S136 VanDerWaalsContact O-N 3.12Å; N133-S136 PolarHBondContact OD1-OG 3.21Å; N133-S136 VanDerWaalsContact OD1-OG 3.07Å |
| 134 | L | 45.4 | Very low | 43.4 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 67% | 0.665 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -60.2 | -26.9 | 172.4 | -86.6 | 157.8 | 0 | 0 | 0 | 113.2 | ||
| 135 | W | 43.2 | Very low | 44.3 | Very low | 196 Ų | 196 | 126.5 Ų | 126.5 | 74% | 0.742 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -86.2 | -16.5 | 179.3 | -61.8 | 100 | 0 | 0 | 0 | 113.8 | N133 | N133-W135 PolarHBondContact O-N 3.34Å |
| 136 | S | 49.2 | Very low | 44.7 | Very low | 54 Ų | 54 | 127.7 Ų | 127.7 | 38% | 0.378 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -77.1 | -31.3 | 176.4 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | N133 R139 | N133-S136 PolarHBondContact O-N 3.3Å; N133-S136 VanDerWaalsContact O-N 3.12Å; N133-S136 PolarHBondContact OD1-OG 3.21Å; N133-S136 VanDerWaalsContact OD1-OG 3.07Å; S136-R139 PolarHBondContact O-N 3.33Å |
| 137 | E | 46.3 | Very low | 45.2 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 73% | 0.729 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.5 | -30.8 | 172.8 | -89.3 | 178.2 | 153.7 | 0 | 0 | 113 | R139 | E137-R139 PolarHBondContact O-N 2.98Å |
| 138 | L | 43.7 | Very low | 46 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 68% | 0.681 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -3.6 | 175.6 | -107.4 | 130.8 | 0 | 0 | 0 | 114 | E140 | L138-E140 PolarHBondContact O-N 3.43Š|
| 139 | R | 49.8 | Very low | 46.6 | Very low | 166 Ų | 166 | 126.8 Ų | 126.8 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | trans | -78.3 | 41.3 | 169.1 | -77.6 | -160.6 | -97.8 | -162.7 | -7.5 | 112.1 | S136 E137 S141 | S136-R139 PolarHBondContact O-N 3.33Å; E137-R139 PolarHBondContact O-N 2.98Å; R139-S141 PolarHBondContact O-N 2.93Å; R139-S141 PolarHBondContact O-OG 3.34Å | ||
| 140 | E | 44.7 | Very low | 46.8 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 62% | 0.621 | 63% | 0.632 | S | S | * | * | trans | -60.7 | 95.5 | 161.8 | -79.9 | -177.1 | 173.6 | 0 | 0 | 108 | L138 E142 L143 | L138-E140 PolarHBondContact O-N 3.43Å; E140-E142 PolarHBondContact O-N 3.01Å; E140-L143 PolarHBondContact O-N 2.97Å | ||
| 141 | S | 52.8 | Low | 46.7 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 56% | 0.559 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.8 | -10.9 | -174.3 | -40.4 | 0 | 0 | 0 | 0 | 111.6 | R139 N145 | R139-S141 PolarHBondContact O-N 2.93Å; R139-S141 PolarHBondContact O-OG 3.34Å; S141-N145 PolarHBondContact O-N 3.28Å |
| 142 | E | 51.2 | Low | 46.7 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.5 | -27.9 | -177.4 | -65.3 | -166.2 | 159.4 | 0 | 0 | 114 | E140 | E140-E142 PolarHBondContact O-N 3.01Å |
| 143 | L | 45.8 | Very low | 46.4 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 59% | 0.586 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76.6 | -30 | 176.4 | -69.2 | 176.2 | 0 | 0 | 0 | 112.2 | E140 R146 L147 | E140-L143 PolarHBondContact O-N 2.97Å; L143-R146 PolarHBondContact O-N 3.4Å; L143-L147 PolarHBondContact O-N 3.02Å |
| 144 | W | 48.4 | Very low | 45.7 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 42% | 0.417 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -70.6 | -41 | -179.8 | -61.4 | 96.6 | 0 | 0 | 0 | 112.1 | W87 R146 L147 | W87-W144 AromaticContact CE3-CH2 3.77Å; W87-W144 HydrophobicContact CE3-CH2 3.77Å; W87-W144 AromaticContact CE3-CZ3 3.89Å; W87-W144 HydrophobicContact CE3-CZ3 3.89Å; W87-W144 HydrophobicContact CH2-CE3 4.46Å; W87-W144 AromaticContact CH2-CH2 3.7Å; W87-W144 HydrophobicContact CH2-CH2 3.7Å; W87-W144 HydrophobicContact CH2-CZ2 4.07Å; W87-W144 AromaticContact CH2-CZ3 3.94Å; W87-W144 HydrophobicContact CH2-CZ3 3.94Å; W87-W144 AromaticContact CZ3-CE3 3.94Å; W87-W144 HydrophobicContact CZ3-CE3 3.94Å; W87-W144 AromaticContact CZ3-CH2 3.15Å; W87-W144 HydrophobicContact CZ3-CH2 3.15Å; W87-W144 AromaticContact CZ3-CZ2 3.99Å; W87-W144 HydrophobicContact CZ3-CZ2 3.99Å; W87-W144 AromaticContact CZ3-CZ3 3.15Å; W87-W144 HydrophobicContact CZ3-CZ3 3.15Å; W144-R146 PolarHBondContact O-N 3.37Å; W144-L147 PolarHBondContact O-N 3.22Å |
| 145 | N | 52 | Low | 45.2 | Very low | 118 Ų | 118 | 134 Ų | 134 | 63% | 0.631 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.2 | -22.2 | 175.2 | -73.2 | -25.4 | 0 | 0 | 0 | 113.4 | S141 A149 | S141-N145 PolarHBondContact O-N 3.28Å; N145-A149 WeakPolarHBondContact O-CB 3.25Å |
| 146 | R | 46.4 | Very low | 45 | Very low | 195 Ų | 195 | 130.1 Ų | 130.1 | 74% | 0.736 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.1 | -32.5 | 177.9 | -82 | -177.6 | 157.2 | -179.4 | -3.3 | 113.1 | L143 W144 T150 | L143-R146 PolarHBondContact O-N 3.4Å; W144-R146 PolarHBondContact O-N 3.37Å; R146-T150 PolarHBondContact O-N 3.21Å; R146-T150 PolarHBondContact O-OG1 3.15Å |
| 147 | L | 44.3 | Very low | 44.7 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 58% | 0.581 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -78.7 | -37.5 | -176.3 | -156.3 | 75.2 | 0 | 0 | 0 | 112.3 | W87 L143 W144 A149 T150 | W87-L147 HydrophobicContact CZ3-CD2 4.5Å; L143-L147 PolarHBondContact O-N 3.02Å; W144-L147 PolarHBondContact O-N 3.22Å; L147-A149 VanDerWaalsContact C-N 3.25Å; L147-A149 PolarHBondContact O-N 3.07Å; L147-T150 WeakPolarHBondContact CA-OG1 3.43Å; L147-T150 PolarHBondContact O-N 3.2Å; L147-T150 PolarHBondContact O-OG1 3.23Å |
| 148 | E | 49.2 | Very low | 44.5 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.8 | -23.3 | 172.7 | -68.1 | -175.4 | 175.5 | 0 | 0 | 112.7 | T150 | E148-T150 VanDerWaalsContact C-N 3.34Å |
| 149 | A | 50.3 | Low | 44.4 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 65% | 0.653 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -16.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N145 L147 Q151 | N145-A149 WeakPolarHBondContact O-CB 3.25Å; L147-A149 VanDerWaalsContact C-N 3.25Å; L147-A149 PolarHBondContact O-N 3.07Å; A149-Q151 VanDerWaalsContact C-N 3.26Å; A149-Q151 PolarHBondContact O-N 3.38Å; A149-Q151 VanDerWaalsContact O-N 3.1Å |
| 150 | T | 44.5 | Very low | 43.9 | Very low | 86 Ų | 86 | 136.8 Ų | 136.8 | 53% | 0.528 | 69% | 0.693 | S | S | . | * | trans | -84.9 | 71.3 | 169.4 | 24.7 | 0 | 0 | 0 | 0 | 111 | R146 L147 E148 V152 | R146-T150 PolarHBondContact O-N 3.21Å; R146-T150 PolarHBondContact O-OG1 3.15Å; L147-T150 WeakPolarHBondContact CA-OG1 3.43Å; L147-T150 PolarHBondContact O-N 3.2Å; L147-T150 PolarHBondContact O-OG1 3.23Å; E148-T150 VanDerWaalsContact C-N 3.34Å; T150-V152 PolarHBondContact O-N 3.42Å | ||
| 151 | Q | 39.3 | Very low | 43.8 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 70% | 0.701 | S | S | * | * | trans | -76.2 | 55.8 | 159.8 | -153.8 | 179.7 | 64 | 0 | 0 | 109.5 | A149 | A149-Q151 VanDerWaalsContact C-N 3.26Å; A149-Q151 PolarHBondContact O-N 3.38Å; A149-Q151 VanDerWaalsContact O-N 3.1Å | ||
| 152 | V | 42.4 | Very low | 43.2 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | trans | -155.8 | 89.5 | -179.1 | -171.6 | 0 | 0 | 0 | 0 | 107.2 | T150 | T150-V152 PolarHBondContact O-N 3.42Š| ||
| 153 | Y | 35.5 | Very low | 42.5 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 80% | 0.796 | 72% | 0.719 | S | S | * | * | -154.8 | 114.8 | 78.3 | -151.8 | -95.7 | 0 | 0 | 0 | 108.1 | Y155 | Y153-Y155 PolarHBondContact O-N 3.03Š| |||
| 154 | G | 35.5 | Very low | 41.9 | Very low | 64 Ų | 64 | 145.5 Ų | 145.5 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -65.5 | 111.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | T156 | G154-T156 VanDerWaalsContact C-N 3.35Š| ||
| 155 | Y | 33.9 | Very low | 41 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -94.5 | 80.9 | 156.6 | -161.3 | -85.8 | 0 | 0 | 0 | 106.1 | Y153 | Y153-Y155 PolarHBondContact O-N 3.03Š| ||
| 156 | T | 39.8 | Very low | 40.5 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | trans | -91.1 | 126.8 | 162.5 | 36.1 | 0 | 0 | 0 | 0 | 107.3 | G154 E158 | G154-T156 VanDerWaalsContact C-N 3.35Å; T156-E158 PolarHBondContact O-N 3.49Å | ||
| 157 | D | 43.4 | Very low | 39.9 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -68.6 | 41.4 | -176.8 | -118.5 | -5 | 0 | 0 | 0 | 113.2 | ||
| 158 | E | 41.9 | Very low | 39.4 | Very low | 159 Ų | 159 | 154.2 Ų | 154.2 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -139.7 | 82.5 | -173.4 | -64.7 | -90.1 | 162 | 0 | 0 | 108.2 | T156 | T156-E158 PolarHBondContact O-N 3.49Š| ||
| 159 | D | 41 | Very low | 38.8 | Very low | 161 Ų | 161 | 153 Ų | 153 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -175.7 | 83.9 | 150 | -88 | -28.8 | 0 | 0 | 0 | 108.5 | P161 | D159-P161 WeakPolarHBondContact O-CD 3.22Š| ||
| 160 | E | 40.7 | Very low | 38 | Very low | 187 Ų | 187 | 158.4 Ų | 158.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -56.8 | 127.3 | 152.9 | -91.8 | -169.1 | 140.7 | 0 | 0 | 109 | ||||
| 161 | P | 42.2 | Very low | 37.6 | Very low | 124 Ų | 124 | 163.8 Ų | 163.8 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -80.6 | 114.8 | 152 | 29.9 | -26 | 0 | 0 | 0 | 108.4 | D159 | D159-P161 WeakPolarHBondContact O-CD 3.22Š| ||
| 162 | E | 40.4 | Very low | 37.5 | Very low | 179 Ų | 179 | 162.5 Ų | 162.5 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -37.2 | 140.5 | 166.9 | -67.2 | 176.5 | 147.4 | 0 | 0 | 112.9 | Q164 | E162-Q164 PolarHBondContact O-N 3.38Š| ||
| 163 | E | 35.6 | Very low | 37.2 | Very low | 181 Ų | 181 | 168.1 Ų | 168.1 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -46.4 | 104.5 | 165.9 | -66.4 | 176.8 | 150.6 | 0 | 0 | 111.1 | E165 | E163-E165 VanDerWaalsContact C-N 3.32Å; E163-E165 PolarHBondContact O-N 3.33Å | ||
| 164 | Q | 32.5 | Very low | 37.1 | Very low | 183 Ų | 183 | 166.1 Ų | 166.1 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -92.1 | 73.8 | 162.6 | -141.7 | 167.7 | 66.5 | 0 | 0 | 108.6 | E162 S166 | E162-Q164 PolarHBondContact O-N 3.38Å; Q164-S166 VanDerWaalsContact C-N 3.32Å; Q164-S166 PolarHBondContact O-N 3.07Å; Q164-S166 VanDerWaalsContact O-N 3.07Å | ||
| 165 | E | 30.9 | Very low | 37 | Very low | 181 Ų | 181 | 168.8 Ų | 168.8 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -65.1 | 91.7 | 155.5 | -79.5 | -168.6 | 145.7 | 0 | 0 | 108.4 | E163 | E163-E165 VanDerWaalsContact C-N 3.32Å; E163-E165 PolarHBondContact O-N 3.33Å | ||
| 166 | S | 40 | Very low | 37 | Very low | 87 Ų | 87 | 171 Ų | 171 | 61% | 0.608 | 82% | 0.821 | S | S | * | * | trans | -162.8 | 122.5 | 151.3 | 44 | 0 | 0 | 0 | 0 | 112.9 | Q164 | Q164-S166 VanDerWaalsContact C-N 3.32Å; Q164-S166 PolarHBondContact O-N 3.07Å; Q164-S166 VanDerWaalsContact O-N 3.07Å | ||
| 167 | E | 35 | Very low | 37 | Very low | 185 Ų | 185 | 177.6 Ų | 177.6 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 69.2 | 66.4 | 146.5 | -60.7 | -172.1 | 160.3 | 0 | 0 | 119.8 | ||
| 168 | R | 34.4 | Very low | 36.5 | Very low | 263 Ų | 263 | 174.2 Ų | 174.2 | 99% | 0.992 | 83% | 0.831 | S | S | * | * | trans | -142.2 | 61.7 | 130.6 | -71.7 | -161.9 | -179.1 | 160.8 | 2.4 | 111.9 | ||||
| 169 | E | 34.9 | Very low | 36 | Very low | 144 Ų | 144 | 171.9 Ų | 171.9 | 67% | 0.673 | 83% | 0.832 | S | S | * | * | trans | -120.4 | 85.2 | 156 | -162.2 | -169.7 | 164.3 | 0 | 0 | 109.2 | K172 | E169-K172 IonicContact OE1-NZ 2.82Å; E169-K172 PolarHBondContact OE1-NZ 2.82Å | ||
| 170 | H | 33.5 | Very low | 35.7 | Very low | 191 Ų | 191 | 171 Ų | 171 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | trans | -153.8 | 79.4 | 154.9 | -97.1 | -58 | 0 | 0 | 0 | 110.1 | ||||
| 171 | E | 35.7 | Very low | 35.7 | Very low | 200 Ų | 200 | 167.1 Ų | 167.1 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | trans | -145.1 | 78 | 142 | -149.7 | 166 | -170.4 | 0 | 0 | 109.9 | ||||
| 172 | K | 37.5 | Very low | 35.2 | Very low | 161 Ų | 161 | 167.5 Ų | 167.5 | 70% | 0.7 | 83% | 0.827 | S | S | * | * | trans | -99.2 | 136.5 | 160.3 | -91.7 | 171 | 180 | 136.6 | 0 | 108.1 | E169 | E169-K172 IonicContact OE1-NZ 2.82Å; E169-K172 PolarHBondContact OE1-NZ 2.82Å | ||
| 173 | R | 36.9 | Very low | 34.7 | Very low | 231 Ų | 231 | 164.1 Ų | 164.1 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | 80.2 | 98.1 | 154.4 | -73.1 | 177 | 156.3 | -178.6 | -4.3 | 119.5 | ||||
| 174 | N | 32.8 | Very low | 34.9 | Very low | 162 Ų | 162 | 160.8 Ų | 160.8 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | 172.2 | 121 | 104.8 | -90.6 | -22.3 | 0 | 0 | 0 | 107.1 | |||||
| 175 | S | 35 | Very low | 35.1 | Very low | 119 Ų | 119 | 161.7 Ų | 161.7 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | -169.1 | 120.8 | 87.8 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 176 | R | 33.7 | Very low | 35.4 | Very low | 239 Ų | 239 | 156.3 Ų | 156.3 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -71.5 | 125.7 | 157.5 | -76.7 | 166.3 | 156 | 167.8 | -7.4 | 108.7 | ||||
| 177 | R | 38.4 | Very low | 35.3 | Very low | 253 Ų | 253 | 161.2 Ų | 161.2 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | 166.4 | 137.7 | 129.7 | -100.5 | 176.9 | 167.9 | -161.1 | -2.9 | 113.8 | |||||
| 178 | G | 34.1 | Very low | 35.5 | Very low | 69 Ų | 69 | 162.9 Ų | 162.9 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | 106.8 | 92.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 179 | S | 30.7 | Very low | 36.3 | Very low | 109 Ų | 109 | 162.1 Ų | 162.1 | 76% | 0.762 | 83% | 0.833 | S | S | * | * | cis | 55.2 | 116.2 | 39.7 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 180 | T | 34.9 | Very low | 37.4 | Very low | 143 Ų | 143 | 165 Ų | 165 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | trans | 80.8 | 139.2 | 168.5 | 74.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 181 | S | 40.3 | Very low | 38 | Very low | 106 Ų | 106 | 167.7 Ų | 167.7 | 74% | 0.741 | 85% | 0.846 | S | S | * | * | cis | -154.6 | 140.5 | 9.1 | 61.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 182 | V | 32.1 | Very low | 38.3 | Very low | 132 Ų | 132 | 168.7 Ų | 168.7 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | 35.8 | 120.1 | 78.9 | -171.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 183 | C | 30.9 | Very low | 38.9 | Very low | 108 Ų | 108 | 168 Ų | 168 | 73% | 0.73 | 84% | 0.844 | S | S | * | * | trans | 81.3 | 99.3 | 159.8 | -100.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 184 | A | 38.6 | Very low | 39.4 | Very low | 111 Ų | 111 | 164.8 Ų | 164.8 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | trans | -119.9 | 99.3 | 140.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 185 | K | 37 | Very low | 39.7 | Very low | 202 Ų | 202 | 162.2 Ų | 162.2 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | trans | -79.6 | 127.5 | 161.3 | -83.5 | 171.8 | 173.8 | 167.9 | 0 | 108.4 | ||||
| 186 | G | 37.9 | Very low | 40.3 | Very low | 68 Ų | 68 | 164.4 Ų | 164.4 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | trans | 177.7 | 123.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 187 | H | 37.5 | Very low | 41.1 | Very low | 190 Ų | 190 | 161.7 Ų | 161.7 | 88% | 0.88 | 86% | 0.864 | S | S | * | * | cis | -143.6 | 135.5 | 17.8 | -92.1 | -21.6 | 0 | 0 | 0 | 110 | ||||
| 188 | K | 39.6 | Very low | 41.3 | Very low | 219 Ų | 219 | 157.1 Ų | 157.1 | 95% | 0.952 | 86% | 0.86 | S | S | * | * | trans | -76.2 | 115.2 | 156.7 | -75.4 | -175.2 | 174.1 | -177.4 | 0 | 107.8 | ||||
| 189 | R | 50.6 | Low | 41.6 | Very low | 247 Ų | 247 | 161.7 Ų | 161.7 | 93% | 0.932 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 123.9 | 162.1 | -146.7 | 174 | 178.5 | -173.9 | -1.5 | 109 | ||
| 190 | K | 57.7 | Low | 42.3 | Very low | 205 Ų | 205 | 164.7 Ų | 164.7 | 89% | 0.891 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 139.6 | -176.2 | -95.7 | 166.5 | 165.1 | 172.3 | 0 | 113.3 | ||
| 191 | R | 47.2 | Very low | 42.7 | Very low | 247 Ų | 247 | 165.9 Ų | 165.9 | 93% | 0.932 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 134.1 | 152.9 | -73.4 | 179.6 | 169.8 | 178.5 | -3.7 | 110.4 | ||
| 192 | R | 41 | Very low | 42.8 | Very low | 222 Ų | 222 | 169.7 Ų | 169.7 | 84% | 0.838 | 88% | 0.881 | S | S | * | * | trans | 174.1 | 125.7 | 139.3 | -131.8 | 173.1 | 171.1 | 175.7 | -4.2 | 105.9 | ||||
| 193 | I | 50.7 | Low | 43.6 | Very low | 146 Ų | 146 | 172.2 Ų | 172.2 | 75% | 0.749 | 89% | 0.887 | S | S | * | * | -165.8 | 115.2 | 88.5 | -77.9 | 153.3 | 0 | 0 | 0 | 106.8 | |||||
| 194 | Q | 46 | Very low | 44.5 | Very low | 164 Ų | 164 | 176.8 Ų | 176.8 | 77% | 0.766 | 90% | 0.898 | S | S | * | * | 56.9 | 115.1 | 123.8 | -65.9 | -179.6 | -31 | 0 | 0 | 118.4 | |||||
| 195 | S | 40.6 | Very low | 44.9 | Very low | 107 Ų | 107 | 181.8 Ų | 181.8 | 75% | 0.748 | 90% | 0.896 | S | S | * | * | trans | -58.8 | 135 | 148.3 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 196 | N | 46.6 | Very low | 45.6 | Very low | 166 Ų | 166 | 180.2 Ų | 180.2 | 89% | 0.888 | 90% | 0.898 | S | S | * | * | trans | -176.6 | 108.9 | 136.8 | -95.4 | -3.3 | 0 | 0 | 0 | 109.1 | ||||
| 197 | A | 51.6 | Low | 46.3 | Very low | 181 Ų | 181 | 190.4 Ų | 190.4 | 100% | 1.496 | 92% | 0.916 | S | S | * | * | trans | -157.5 | 0 | 145.7 | 0 | 0 | 0 | 0 | 0 | 106.6 |
Retrieved 197 of 197 residues in 360.9 ms
(Link to these results)