| 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 | 50.1 | Low | 82.2 | Confident | 143 Ų | 143 | 72 Ų | 72 | 70% | 0.704 | 47% | 0.473 | S | S | * | . | 0 | 98.3 | 0 | -84.8 | -93 | -153.2 | 0 | 0 | 108 | A3 D28 P32 Q73 | M1-A3 PolarHBondContact O-N 3.13Å; M1-D28 VanDerWaalsContact CE-O 3.24Å; M1-D28 WeakPolarHBondContact CE-O 3.17Å; M1-P32 HydrophobicContact CE-CB 3.97Å; M1-P32 HydrophobicContact CE-CG 3.38Å; M1-Q73 VanDerWaalsContact SD-CD 3.56Å; M1-Q73 PolarHBondContact SD-NE2 3.15Å; M1-Q73 PolarHBondContact SD-OE1 2.87Å | |||
| 2 | A | 54.6 | Low | 83.3 | Confident | 82 Ų | 82 | 73.1 Ų | 73.1 | 68% | 0.678 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 130.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 107 | L4 | A2-L4 PolarHBondContact O-N 2.71Š|
| 3 | A | 67.8 | Low | 84.3 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 84% | 0.835 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 125.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | M1 A5 | M1-A3 PolarHBondContact O-N 3.13Å; A3-A5 PolarHBondContact O-N 3.21Å |
| 4 | L | 81.8 | Confident | 85.2 | Confident | 42 Ų | 42 | 68.5 Ų | 68.5 | 22% | 0.22 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 135.3 | 174.8 | -66.5 | 169.7 | 0 | 0 | 0 | 109 | A2 Q66 A69 L70 | A2-L4 PolarHBondContact O-N 2.71Å; L4-Q66 HydrophobicContact CB-CG 4.18Å; L4-Q66 HydrophobicContact CD2-CB 4.33Å; L4-Q66 HydrophobicContact CD2-CG 4.44Å; L4-A69 HydrophobicContact CD2-CB 3.84Å; L4-L70 HydrophobicContact CD1-CD1 3.71Å; L4-L70 HydrophobicContact CD1-CD2 3.97Å; L4-L70 HydrophobicContact CD1-CG 3.71Å; L4-L70 HydrophobicContact CD2-CG 4.08Å; L4-L70 HydrophobicContact CG-CG 4.46Å |
| 5 | A | 86.8 | Confident | 86 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 55% | 0.554 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 133.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A3 Q66 | A3-A5 PolarHBondContact O-N 3.21Å; A5-Q66 PolarHBondContact O-NE2 2.74Å |
| 6 | P | 90.3 | Very high | 86.6 | Confident | 117 Ų | 117 | 69.5 Ų | 69.5 | 76% | 0.76 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -56 | 141 | -179.5 | -25.3 | 33.7 | 0 | 0 | 0 | 112.5 | ||
| 7 | L | 93 | Very high | 87.2 | Confident | 35 Ų | 35 | 65.4 Ų | 65.4 | 18% | 0.183 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 151.2 | 173.7 | -62.9 | 177.5 | 0 | 0 | 0 | 110.4 | L21 F59 K62 L63 Q66 | L7-L21 HydrophobicContact CD1-CD2 4.34Å; L7-F59 HydrophobicContact CB-CE2 3.91Å; L7-F59 HydrophobicContact CB-CZ 4.41Å; L7-F59 HydrophobicContact CD1-CE2 4.15Å; L7-F59 HydrophobicContact CD1-CZ 3.79Å; L7-K62 HydrophobicContact CD2-CB 4.02Å; L7-L63 HydrophobicContact CD1-CD1 3.95Å; L7-L63 HydrophobicContact CD2-CB 4.21Å; L7-L63 HydrophobicContact CD2-CD1 4.43Å; L7-Q66 VanDerWaalsContact CD2-CD 3.46Å; L7-Q66 HydrophobicContact CD2-CG 3.98Å |
| 8 | P | 93.2 | Very high | 87.8 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 29% | 0.286 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 164.7 | 166.5 | -21.2 | 33.2 | 0 | 0 | 0 | 111.7 | L10 F59 K62 | P8-L10 PolarHBondContact O-N 2.63Å; P8-F59 HydrophobicContact CB-CD2 4.37Å; P8-F59 WeakPolarHBondContact O-CD2 3.45Å; P8-F59 WeakPolarHBondContact O-CE2 2.85Å; P8-K62 HydrophobicContact CG-CB 4.29Å; P8-K62 HydrophobicContact CG-CG 3.93Å |
| 9 | P | 94.7 | Very high | 88.3 | Confident | 110 Ų | 110 | 65.9 Ų | 65.9 | 71% | 0.714 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -49.7 | 140.1 | 169.6 | -25.1 | 34.8 | 0 | 0 | 0 | 111.1 | P11 | P9-P11 VanDerWaalsContact O-CD 3.31Å; P9-P11 WeakPolarHBondContact O-CD 3.33Å |
| 10 | L | 95.2 | Very high | 88.8 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 120.8 | -178.4 | -171.3 | 70.2 | 0 | 0 | 0 | 109.4 | P8 F14 Q18 L21 F59 | P8-L10 PolarHBondContact O-N 2.63Å; L10-F14 HydrophobicContact CD1-CB 3.66Å; L10-F14 HydrophobicContact CD1-CD2 4.38Å; L10-F14 HydrophobicContact CG-CB 3.99Å; L10-Q18 HydrophobicContact CD2-CB 3.42Å; L10-Q18 VanDerWaalsContact CD2-CB 3.42Å; L10-Q18 HydrophobicContact CD2-CG 3.63Å; L10-L21 HydrophobicContact CD1-CD1 3.67Å; L10-F59 HydrophobicContact CD1-CD2 4.45Å; L10-F59 HydrophobicContact CD1-CE1 3.84Å; L10-F59 HydrophobicContact CD1-CE2 3.73Å; L10-F59 HydrophobicContact CD1-CZ 3.4Å |
| 11 | P | 96.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 147 | 174.4 | -21.2 | 30.8 | 0 | 0 | 0 | 111.4 | P9 Q13 F14 E55 F59 | P9-P11 VanDerWaalsContact O-CD 3.31Å; P9-P11 WeakPolarHBondContact O-CD 3.33Å; P11-Q13 PolarHBondContact O-N 2.98Å; P11-Q13 VanDerWaalsContact O-N 3.16Å; P11-F14 HydrophobicContact CB-CD2 4.24Å; P11-F14 HydrophobicContact CG-CD2 3.78Å; P11-F14 HydrophobicContact CG-CE2 4.06Å; P11-F14 PolarHBondContact O-N 3.26Å; P11-E55 HydrophobicContact CB-CG 4.41Å; P11-E55 HydrophobicContact CG-CG 4.16Å; P11-F59 HydrophobicContact CG-CB 3.88Å; P11-F59 HydrophobicContact CG-CG 4.2Å |
| 12 | A | 96.3 | Very high | 91.4 | Very high | 85 Ų | 85 | 58.8 Ų | 58.8 | 70% | 0.702 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -57.7 | -33 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F14 K15 | A12-F14 PolarHBondContact O-N 3.19Å; A12-K15 WeakPolarHBondContact O-CB 3.44Å; A12-K15 PolarHBondContact O-N 3.01Å |
| 13 | Q | 95.3 | Very high | 93.4 | Very high | 82 Ų | 82 | 55.1 Ų | 55.1 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -60 | -28.6 | 175.7 | -63.7 | 79.7 | 0.8 | 0 | 0 | 112.3 | P11 I49 | P11-Q13 PolarHBondContact O-N 2.98Å; P11-Q13 VanDerWaalsContact O-N 3.16Å; Q13-I49 HydrophobicContact CB-CG2 4.14Å |
| 14 | F | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -95.9 | 16.4 | -176 | -64.7 | -15.4 | 0 | 0 | 0 | 113.4 | L10 P11 A12 S16 I17 Q18 G46 I49 D50 C56 F59 L60 | L10-F14 HydrophobicContact CD1-CB 3.66Å; L10-F14 HydrophobicContact CD1-CD2 4.38Å; L10-F14 HydrophobicContact CG-CB 3.99Å; P11-F14 HydrophobicContact CB-CD2 4.24Å; P11-F14 HydrophobicContact CG-CD2 3.78Å; P11-F14 HydrophobicContact CG-CE2 4.06Å; P11-F14 PolarHBondContact O-N 3.26Å; A12-F14 PolarHBondContact O-N 3.19Å; F14-S16 PolarHBondContact O-N 3.38Å; F14-I17 HydrophobicContact CB-CD1 3.85Å; F14-I17 HydrophobicContact CB-CG1 3.76Å; F14-I17 HydrophobicContact CD1-CD1 4.49Å; F14-I17 HydrophobicContact CD2-CD1 4.36Å; F14-I17 HydrophobicContact CG-CD1 4Å; F14-I17 HydrophobicContact CG-CG1 4.43Å; F14-I17 WeakPolarHBondContact O-CG1 3.32Å; F14-I17 PolarHBondContact O-N 3.44Å; F14-Q18 PolarHBondContact O-N 3.48Å; F14-G46 VanDerWaalsContact CE1-O 3.24Å; F14-G46 WeakPolarHBondContact CE1-O 3.27Å; F14-I49 HydrophobicContact CD1-CB 4.31Å; F14-I49 HydrophobicContact CD1-CD1 4.39Å; F14-I49 HydrophobicContact CD1-CG2 4.21Å; F14-I49 HydrophobicContact CE1-CB 4.17Å; F14-I49 HydrophobicContact CE1-CG2 4.26Å; F14-D50 HydrophobicContact CE1-CB 4.35Å; F14-D50 WeakPolarHBondContact CZ-O 3.36Å; F14-C56 HydrophobicContact CE1-CB 4.33Å; F14-C56 HydrophobicContact CE2-CB 3.95Å; F14-C56 HydrophobicContact CZ-CB 3.58Å; F14-F59 AromaticContact CD2-CD1 3.67Å; F14-F59 HydrophobicContact CD2-CD1 3.67Å; F14-F59 HydrophobicContact CD2-CE1 4.12Å; F14-F59 HydrophobicContact CD2-CG 4.26Å; F14-F59 HydrophobicContact CE2-CB 4.32Å; F14-F59 AromaticContact CE2-CD1 3.74Å; F14-F59 HydrophobicContact CE2-CD1 3.74Å; F14-F59 HydrophobicContact CE2-CG 4.32Å; F14-L60 HydrophobicContact CE2-CD1 4.39Å; F14-L60 HydrophobicContact CE2-CD2 3.93Å; F14-L60 HydrophobicContact CE2-CG 3.83Å; F14-L60 HydrophobicContact CZ-CD1 3.86Å; F14-L60 HydrophobicContact CZ-CD2 3.98Å; F14-L60 HydrophobicContact CZ-CG 3.82Å |
| 15 | K | 96.7 | Very high | 95.5 | Very high | 97 Ų | 97 | 54 Ų | 54 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -53.8 | -36.1 | 177.7 | -174.7 | -178.9 | 170.3 | -160.9 | 0 | 112.7 | A12 I17 Q18 G182 | A12-K15 WeakPolarHBondContact O-CB 3.44Å; A12-K15 PolarHBondContact O-N 3.01Å; K15-I17 VanDerWaalsContact C-N 3.29Å; K15-I17 PolarHBondContact O-N 3.14Å; K15-Q18 VanDerWaalsContact O-CB 3.27Å; K15-Q18 WeakPolarHBondContact O-CB 3.47Å; K15-Q18 PolarHBondContact O-N 3.06Å; K15-G182 PolarHBondContact NZ-O 3.15Å |
| 16 | S | 96.5 | Very high | 95.8 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -64.4 | -27.1 | 179.3 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | F14 H20 I49 | F14-S16 PolarHBondContact O-N 3.38Å; S16-H20 PolarHBondContact O-CE1 2.85Å; S16-H20 PolarHBondContact O-ND1 3.28Å; S16-I49 WeakPolarHBondContact OG-CD1 3.35Å |
| 17 | I | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -98.5 | 0.5 | 178.9 | 60.7 | 169.8 | 0 | 0 | 0 | 113.6 | F14 K15 H19 H20 L21 Y41 A42 T45 | F14-I17 HydrophobicContact CB-CD1 3.85Å; F14-I17 HydrophobicContact CB-CG1 3.76Å; F14-I17 HydrophobicContact CD1-CD1 4.49Å; F14-I17 HydrophobicContact CD2-CD1 4.36Å; F14-I17 HydrophobicContact CG-CD1 4Å; F14-I17 HydrophobicContact CG-CG1 4.43Å; F14-I17 WeakPolarHBondContact O-CG1 3.32Å; F14-I17 PolarHBondContact O-N 3.44Å; K15-I17 VanDerWaalsContact C-N 3.29Å; K15-I17 PolarHBondContact O-N 3.14Å; I17-H19 VanDerWaalsContact C-N 3.28Å; I17-H19 PolarHBondContact O-N 3.4Å; I17-H20 PolarHBondContact O-N 3.34Å; I17-L21 HydrophobicContact CD1-CD1 4.35Å; I17-L21 HydrophobicContact CG1-CD1 4.4Å; I17-L21 PolarHBondContact O-N 2.97Å; I17-Y41 HydrophobicContact CG2-CE1 4.31Å; I17-A42 HydrophobicContact CB-CB 4.39Å; I17-A42 HydrophobicContact CD1-CB 4.1Å; I17-A42 WeakPolarHBondContact CD1-O 3.42Å; I17-T45 HydrophobicContact CG2-CG2 3.45Å; I17-T45 VanDerWaalsContact CG2-CG2 3.45Å |
| 18 | Q | 97.3 | Very high | 96.1 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.4 | -43.6 | -177.6 | -175 | 179.2 | -67.3 | 0 | 0 | 112.2 | L10 F14 K15 L21 R22 | L10-Q18 HydrophobicContact CD2-CB 3.42Å; L10-Q18 VanDerWaalsContact CD2-CB 3.42Å; L10-Q18 HydrophobicContact CD2-CG 3.63Å; F14-Q18 PolarHBondContact O-N 3.48Å; K15-Q18 VanDerWaalsContact O-CB 3.27Å; K15-Q18 WeakPolarHBondContact O-CB 3.47Å; K15-Q18 PolarHBondContact O-N 3.06Å; Q18-L21 PolarHBondContact O-N 2.98Å; Q18-R22 PolarHBondContact O-N 2.89Å |
| 19 | H | 97 | Very high | 96.1 | Very high | 65 Ų | 65 | 57 Ų | 57 | 30% | 0.301 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.2 | -37.9 | -176.5 | -69.9 | -76.1 | 0 | 0 | 0 | 111.7 | I17 L21 R22 T23 Y119 L123 | I17-H19 VanDerWaalsContact C-N 3.28Å; I17-H19 PolarHBondContact O-N 3.4Å; H19-L21 PolarHBondContact O-N 3.24Å; H19-R22 WeakPolarHBondContact O-CB 3.31Å; H19-R22 PolarHBondContact O-N 2.9Å; H19-T23 PolarHBondContact O-N 2.95Å; H19-T23 PolarHBondContact O-OG1 3.44Å; H19-T23 VanDerWaalsContact O-OG1 3.08Å; H19-Y119 HydrophobicContact CB-CE1 4.3Å; H19-Y119 PolarHBondContact CD2-OH 3.2Å; H19-Y119 AromaticContact ND1-CE1 3.99Å; H19-L123 HydrophobicContact CB-CD1 3.85Å; H19-L123 HydrophobicContact CB-CD2 4.14Å |
| 20 | H | 98.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 2% | 0.023 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 174.5 | -47.1 | 79.9 | 0 | 0 | 0 | 111.8 | S16 I17 T23 A24 Y41 D126 | S16-H20 PolarHBondContact O-CE1 2.85Å; S16-H20 PolarHBondContact O-ND1 3.28Å; I17-H20 PolarHBondContact O-N 3.34Å; H20-T23 WeakPolarHBondContact O-CB 3.39Å; H20-T23 PolarHBondContact O-N 2.94Å; H20-A24 PolarHBondContact O-N 2.6Å; H20-Y41 HydrophobicContact CB-CD1 3.98Å; H20-Y41 HydrophobicContact CB-CE1 4.17Å; H20-Y41 AromaticContact CD2-CD1 3.76Å; H20-Y41 AromaticContact CD2-CE1 3.35Å; H20-Y41 WeakPolarHBondContact CD2-CE1 3.25Å; H20-Y41 AromaticContact CE1-CE1 3.81Å; H20-Y41 AromaticContact CG-CD1 3.82Å; H20-Y41 AromaticContact CG-CE1 3.52Å; H20-Y41 AromaticContact ND1-CE1 3.83Å; H20-Y41 AromaticContact NE2-CE1 3.54Å; H20-D126 IonicContact NE2-OD2 3.74Å; H20-D126 PolarHBondContact NE2-OD2 3.3Å |
| 21 | L | 97.5 | Very high | 96.1 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.068 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 174.2 | -75.1 | 169.8 | 0 | 0 | 0 | 112.7 | L7 L10 I17 Q18 H19 A24 Q25 R39 A42 F59 L63 | L7-L21 HydrophobicContact CD1-CD2 4.34Å; L10-L21 HydrophobicContact CD1-CD1 3.67Å; I17-L21 HydrophobicContact CD1-CD1 4.35Å; I17-L21 HydrophobicContact CG1-CD1 4.4Å; I17-L21 PolarHBondContact O-N 2.97Å; Q18-L21 PolarHBondContact O-N 2.98Å; H19-L21 PolarHBondContact O-N 3.24Å; L21-A24 WeakPolarHBondContact O-CB 3.39Å; L21-A24 PolarHBondContact O-N 2.83Å; L21-Q25 WeakPolarHBondContact O-CG 3.36Å; L21-Q25 PolarHBondContact O-N 2.76Å; L21-Q25 VanDerWaalsContact O-N 3.1Å; L21-R39 HydrophobicContact CD2-CG 4.48Å; L21-A42 HydrophobicContact CD1-CB 4.43Å; L21-A42 HydrophobicContact CD2-CB 3.52Å; L21-A42 HydrophobicContact CG-CB 3.73Å; L21-F59 HydrophobicContact CD1-CE1 4.05Å; L21-F59 HydrophobicContact CD1-CZ 3.64Å; L21-L63 HydrophobicContact CD2-CD1 4.03Å; L21-L63 HydrophobicContact CD2-CD2 4.42Å |
| 22 | R | 96.1 | Very high | 96.1 | Very high | 107 Ų | 107 | 57.9 Ų | 57.9 | 40% | 0.404 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 172.6 | -173.8 | 179.3 | -66.4 | 170.8 | -0 | 110.9 | Q18 H19 A24 Q25 E26 | Q18-R22 PolarHBondContact O-N 2.89Å; H19-R22 WeakPolarHBondContact O-CB 3.31Å; H19-R22 PolarHBondContact O-N 2.9Å; R22-A24 PolarHBondContact O-N 3.08Å; R22-Q25 PolarHBondContact O-N 3.48Å; R22-Q25 VanDerWaalsContact O-N 3.16Å; R22-E26 WeakPolarHBondContact O-CG 3.24Å; R22-E26 PolarHBondContact O-N 3.44Å |
| 23 | T | 96.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57 | -41.1 | 173.1 | -56 | 0 | 0 | 0 | 0 | 110.8 | H19 H20 Q25 E26 H27 T120 L124 | H19-T23 PolarHBondContact O-N 2.95Å; H19-T23 PolarHBondContact O-OG1 3.44Å; H19-T23 VanDerWaalsContact O-OG1 3.08Å; H20-T23 WeakPolarHBondContact O-CB 3.39Å; H20-T23 PolarHBondContact O-N 2.94Å; T23-Q25 PolarHBondContact O-N 3.42Å; T23-E26 PolarHBondContact O-N 3.11Å; T23-H27 PolarHBondContact O-N 3.49Å; T23-H27 PolarHBondContact O-ND1 3.16Å; T23-T120 HydrophobicContact CG2-CG2 3.84Å; T23-L124 HydrophobicContact CG2-CD2 4.23Å |
| 24 | A | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -47.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H20 L21 R22 E26 H27 D28 A35 C38 R39 | H20-A24 PolarHBondContact O-N 2.6Å; L21-A24 WeakPolarHBondContact O-CB 3.39Å; L21-A24 PolarHBondContact O-N 2.83Å; R22-A24 PolarHBondContact O-N 3.08Å; A24-E26 VanDerWaalsContact C-N 3.33Å; A24-E26 PolarHBondContact O-N 3.32Å; A24-H27 CarbonylContact O-C 3.56Å; A24-H27 PolarHBondContact O-N 2.86Å; A24-D28 PolarHBondContact O-N 2.67Å; A24-D28 VanDerWaalsContact O-N 3.11Å; A24-A35 WeakPolarHBondContact O-CB 3.47Å; A24-C38 HydrophobicContact CB-CB 3.56Å; A24-R39 HydrophobicContact CB-CG 3.85Å |
| 25 | Q | 95.6 | Very high | 96.2 | Very high | 120 Ų | 120 | 50.2 Ų | 50.2 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.8 | -38.1 | 178.8 | -68.9 | 172.9 | -19.8 | 0 | 0 | 112.5 | L21 R22 T23 H27 D28 | L21-Q25 WeakPolarHBondContact O-CG 3.36Å; L21-Q25 PolarHBondContact O-N 2.76Å; L21-Q25 VanDerWaalsContact O-N 3.1Å; R22-Q25 PolarHBondContact O-N 3.48Å; R22-Q25 VanDerWaalsContact O-N 3.16Å; T23-Q25 PolarHBondContact O-N 3.42Å; Q25-H27 PolarHBondContact O-N 3.21Å; Q25-D28 PolarHBondContact O-N 3.11Å |
| 26 | E | 94.7 | Very high | 96.2 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -23.8 | 175.3 | -70.8 | 177.7 | 165.2 | 0 | 0 | 112.6 | R22 T23 A24 R30 | R22-E26 WeakPolarHBondContact O-CG 3.24Å; R22-E26 PolarHBondContact O-N 3.44Å; T23-E26 PolarHBondContact O-N 3.11Å; A24-E26 VanDerWaalsContact C-N 3.33Å; A24-E26 PolarHBondContact O-N 3.32Å; E26-R30 PolarHBondContact O-NH1 2.87Å |
| 27 | H | 95.9 | Very high | 96.3 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -100.3 | -7.1 | -178 | -69.1 | 79.1 | 0 | 0 | 0 | 114.1 | T23 A24 Q25 K29 R30 D31 V34 A35 Y93 | T23-H27 PolarHBondContact O-N 3.49Å; T23-H27 PolarHBondContact O-ND1 3.16Å; A24-H27 CarbonylContact O-C 3.56Å; A24-H27 PolarHBondContact O-N 2.86Å; Q25-H27 PolarHBondContact O-N 3.21Å; H27-K29 PolarHBondContact O-N 3.32Å; H27-R30 PolarHBondContact O-N 3.48Å; H27-D31 WeakPolarHBondContact CB-O 3.48Å; H27-D31 CarbonylContact O-C 3.13Å; H27-D31 PolarHBondContact O-N 3.3Å; H27-D31 VanDerWaalsContact O-O 3.08Å; H27-V34 HydrophobicContact CB-CB 4.2Å; H27-V34 HydrophobicContact CB-CG1 4.1Å; H27-A35 HydrophobicContact CB-CB 3.96Å; H27-Y93 AromaticContact CD2-CE1 3.82Å; H27-Y93 AromaticContact NE2-CE1 3.31Å; H27-Y93 VanDerWaalsContact NE2-CE1 3.31Å; H27-Y93 WeakPolarHBondContact NE2-CE1 3.44Å; H27-Y93 AromaticContact NE2-CZ 3.56Å; H27-Y93 PolarHBondContact NE2-OH 3.3Å |
| 28 | D | 94 | Very high | 96.3 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 24% | 0.235 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -34.6 | -177.9 | -81.6 | -27.3 | 0 | 0 | 0 | 114.3 | M1 A24 Q25 R39 | M1-D28 VanDerWaalsContact CE-O 3.24Å; M1-D28 WeakPolarHBondContact CE-O 3.17Å; A24-D28 PolarHBondContact O-N 2.67Å; A24-D28 VanDerWaalsContact O-N 3.11Å; Q25-D28 PolarHBondContact O-N 3.11Å; D28-R39 IonicContact OD1-CZ 2.88Å; D28-R39 IonicContact OD1-NH1 2.78Å; D28-R39 PolarHBondContact OD1-NH1 2.98Å; D28-R39 IonicContact OD1-NH2 3.42Å; D28-R39 PolarHBondContact OD1-NH2 3.38Å; D28-R39 IonicContact OD2-CZ 3.89Å; D28-R39 IonicContact OD2-NH2 3.3Å; D28-R39 PolarHBondContact OD2-NH2 3.01Å |
| 29 | K | 93 | Very high | 96.4 | Very high | 197 Ų | 197 | 40.9 Ų | 40.9 | 86% | 0.857 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103 | -29.7 | 175.3 | -65.1 | -176.3 | -178.7 | 179 | 0 | 114 | H27 | H27-K29 PolarHBondContact O-N 3.32Š|
| 30 | R | 93.7 | Very high | 96.4 | Very high | 127 Ų | 127 | 39.6 Ų | 39.6 | 48% | 0.479 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -46 | -172.7 | -66 | -176.1 | 179.9 | 104.3 | -8.1 | 111.7 | E26 H27 I212 | E26-R30 PolarHBondContact O-NH1 2.87Å; H27-R30 PolarHBondContact O-N 3.48Å; R30-I212 PolarHBondContact NH2-O 3.36Å |
| 31 | D | 95.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 13% | 0.128 | 18% | 0.182 | C | C | . | . | trans | -151 | 91.2 | -179.8 | -167.8 | -38 | 0 | 0 | 0 | 109.5 | H27 V33 V34 A35 H89 | H27-D31 WeakPolarHBondContact CB-O 3.48Å; H27-D31 CarbonylContact O-C 3.13Å; H27-D31 PolarHBondContact O-N 3.3Å; H27-D31 VanDerWaalsContact O-O 3.08Å; D31-V33 PolarHBondContact O-N 3.09Å; D31-V33 WeakPolarHBondContact OD1-CB 3.37Å; D31-V33 PolarHBondContact OD1-N 3.48Å; D31-V34 HydrophobicContact CB-CB 4.07Å; D31-V34 HydrophobicContact CB-CG2 4Å; D31-V34 VanDerWaalsContact CG-CG2 3.49Å; D31-V34 PolarHBondContact O-N 3.43Å; D31-V34 PolarHBondContact OD1-N 3.04Å; D31-V34 VanDerWaalsContact OD1-N 3.08Å; D31-A35 PolarHBondContact O-N 3.21Å; D31-H89 IonicContact OD1-NE2 3.94Å; D31-H89 PolarHBondContact OD1-NE2 2.91Å; D31-H89 IonicContact OD2-CD2 2.74Å; D31-H89 IonicContact OD2-CE1 3.85Å; D31-H89 PolarHBondContact OD2-CE1 3.18Å; D31-H89 IonicContact OD2-NE2 3.11Å; D31-H89 PolarHBondContact OD2-NE2 2.85Å | ||
| 32 | P | 96.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -23.1 | -178.6 | -26.1 | 36.9 | 0 | 0 | 0 | 114 | M1 A35 Y36 L74 | M1-P32 HydrophobicContact CE-CB 3.97Å; M1-P32 HydrophobicContact CE-CG 3.38Å; P32-A35 PolarHBondContact O-N 3.2Å; P32-Y36 WeakPolarHBondContact O-CB 3.41Å; P32-Y36 PolarHBondContact O-N 3.38Å; P32-L74 HydrophobicContact CB-CD1 3.94Å; P32-L74 HydrophobicContact CB-CD2 3.88Å; P32-L74 HydrophobicContact CB-CG 4.45Å |
| 33 | V | 96.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.9 | -48.1 | 177.4 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | D31 A35 Y36 Y37 N77 A79 V80 L90 | D31-V33 PolarHBondContact O-N 3.09Å; D31-V33 WeakPolarHBondContact OD1-CB 3.37Å; D31-V33 PolarHBondContact OD1-N 3.48Å; V33-A35 VanDerWaalsContact C-N 3.29Å; V33-A35 PolarHBondContact O-N 2.91Å; V33-Y36 WeakPolarHBondContact O-CB 3.37Å; V33-Y36 PolarHBondContact O-N 3.3Å; V33-Y37 HydrophobicContact CG1-CD2 3.76Å; V33-Y37 HydrophobicContact CG1-CE2 3.66Å; V33-Y37 VanDerWaalsContact O-CD2 3.25Å; V33-Y37 WeakPolarHBondContact O-CD2 3.37Å; V33-Y37 PolarHBondContact O-N 2.93Å; V33-N77 WeakPolarHBondContact CG2-ND2 3.14Å; V33-A79 HydrophobicContact CG1-CB 3.72Å; V33-A79 HydrophobicContact CG2-CB 4.15Å; V33-V80 HydrophobicContact CG2-CG2 4.39Å; V33-L90 HydrophobicContact CG1-CD1 4.5Å |
| 34 | V | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 172.5 | 175 | 0 | 0 | 0 | 0 | 110.6 | H27 D31 Y36 Y37 C38 L90 Y93 L124 | H27-V34 HydrophobicContact CB-CB 4.2Å; H27-V34 HydrophobicContact CB-CG1 4.1Å; D31-V34 HydrophobicContact CB-CB 4.07Å; D31-V34 HydrophobicContact CB-CG2 4Å; D31-V34 VanDerWaalsContact CG-CG2 3.49Å; D31-V34 PolarHBondContact O-N 3.43Å; D31-V34 PolarHBondContact OD1-N 3.04Å; D31-V34 VanDerWaalsContact OD1-N 3.08Å; V34-Y36 VanDerWaalsContact C-N 3.29Å; V34-Y36 PolarHBondContact O-N 2.94Å; V34-Y37 PolarHBondContact O-N 2.88Å; V34-C38 WeakPolarHBondContact O-CB 3.35Å; V34-C38 PolarHBondContact O-N 3.42Å; V34-C38 PolarHBondContact O-SG 2.94Å; V34-L90 HydrophobicContact CG2-CD1 4.1Å; V34-Y93 HydrophobicContact CG1-CD1 4.48Å; V34-Y93 HydrophobicContact CG1-CE1 4.47Å; V34-Y93 HydrophobicContact CG2-CD1 3.73Å; V34-Y93 HydrophobicContact CG2-CE1 4.19Å; V34-Y93 HydrophobicContact CG2-CG 4.27Å; V34-L124 HydrophobicContact CG1-CD2 3.69Å |
| 35 | A | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | A24 H27 D31 P32 V33 R39 | A24-A35 WeakPolarHBondContact O-CB 3.47Å; H27-A35 HydrophobicContact CB-CB 3.96Å; D31-A35 PolarHBondContact O-N 3.21Å; P32-A35 PolarHBondContact O-N 3.2Å; V33-A35 VanDerWaalsContact C-N 3.29Å; V33-A35 PolarHBondContact O-N 2.91Å; A35-R39 WeakPolarHBondContact O-CG 3.38Å; A35-R39 PolarHBondContact O-N 3.31Å; A35-R39 PolarHBondContact O-NH1 2.85Å |
| 36 | Y | 97.4 | Very high | 96.6 | Very high | 20 Ų | 20 | 34.8 Ų | 34.8 | 8% | 0.078 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.3 | -51.3 | 175 | 169.9 | -101.9 | 0 | 0 | 0 | 111.4 | P32 V33 V34 C38 R39 L40 L67 L70 K71 V80 | P32-Y36 WeakPolarHBondContact O-CB 3.41Å; P32-Y36 PolarHBondContact O-N 3.38Å; V33-Y36 WeakPolarHBondContact O-CB 3.37Å; V33-Y36 PolarHBondContact O-N 3.3Å; V34-Y36 VanDerWaalsContact C-N 3.29Å; V34-Y36 PolarHBondContact O-N 2.94Å; Y36-C38 PolarHBondContact O-N 3.36Å; Y36-R39 PolarHBondContact O-N 3.43Å; Y36-L40 HydrophobicContact CE1-CD2 4.4Å; Y36-L40 PolarHBondContact O-N 3.25Å; Y36-L67 HydrophobicContact CD2-CD2 3.75Å; Y36-L67 HydrophobicContact CE2-CD2 3.75Å; Y36-L70 HydrophobicContact CD2-CB 4.02Å; Y36-K71 HydrophobicContact CE2-CB 3.91Å; Y36-K71 HydrophobicContact CE2-CG 4.48Å; Y36-V80 HydrophobicContact CD1-CG1 4.47Å; Y36-V80 HydrophobicContact CD1-CG2 4.29Å; Y36-V80 HydrophobicContact CE1-CG1 4.11Å |
| 37 | Y | 98.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 36 Ų | 36 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.2 | -36 | -177.7 | -75.9 | -65.5 | 0 | 0 | 0 | 113.5 | V33 V34 R39 L40 Y41 A79 L90 V127 V130 F131 | V33-Y37 HydrophobicContact CG1-CD2 3.76Å; V33-Y37 HydrophobicContact CG1-CE2 3.66Å; V33-Y37 VanDerWaalsContact O-CD2 3.25Å; V33-Y37 WeakPolarHBondContact O-CD2 3.37Å; V33-Y37 PolarHBondContact O-N 2.93Å; V34-Y37 PolarHBondContact O-N 2.88Å; Y37-R39 VanDerWaalsContact C-N 3.28Å; Y37-R39 PolarHBondContact O-N 3.34Å; Y37-L40 HydrophobicContact CD1-CD2 3.92Å; Y37-L40 HydrophobicContact CE1-CD2 4.09Å; Y37-L40 WeakPolarHBondContact O-CB 3.25Å; Y37-L40 PolarHBondContact O-N 3.06Å; Y37-L40 VanDerWaalsContact O-N 3.11Å; Y37-Y41 PolarHBondContact O-N 3.37Å; Y37-A79 VanDerWaalsContact CE2-O 3.23Å; Y37-A79 WeakPolarHBondContact CE2-O 3.27Å; Y37-A79 PolarHBondContact OH-O 3.23Å; Y37-L90 VanDerWaalsContact CB-CD2 3.43Å; Y37-L90 HydrophobicContact CD2-CD1 3.6Å; Y37-L90 HydrophobicContact CD2-CD2 4.26Å; Y37-L90 HydrophobicContact CE2-CD1 4.44Å; Y37-L90 HydrophobicContact CG-CD1 4.13Å; Y37-L90 HydrophobicContact CG-CD2 3.95Å; Y37-V127 VanDerWaalsContact C-CG1 3.47Å; Y37-V127 WeakPolarHBondContact O-CG1 3.41Å; Y37-V130 HydrophobicContact CD1-CG2 4.24Å; Y37-F131 AromaticContact CD1-CE1 3.97Å; Y37-F131 HydrophobicContact CD1-CE1 3.97Å; Y37-F131 HydrophobicContact CD1-CE2 4.21Å; Y37-F131 AromaticContact CD1-CZ 3.41Å; Y37-F131 HydrophobicContact CD1-CZ 3.41Å; Y37-F131 VanDerWaalsContact CD1-CZ 3.41Å; Y37-F131 HydrophobicContact CD2-CZ 4.14Å; Y37-F131 AromaticContact CE1-CE1 3.35Å; Y37-F131 HydrophobicContact CE1-CE1 3.35Å; Y37-F131 HydrophobicContact CE1-CE2 4.37Å; Y37-F131 AromaticContact CE1-CZ 3.21Å; Y37-F131 HydrophobicContact CE1-CZ 3.21Å; Y37-F131 AromaticContact CE2-CZ 3.95Å; Y37-F131 HydrophobicContact CE2-CZ 3.95Å; Y37-F131 AromaticContact CG-CZ 3.9Å; Y37-F131 HydrophobicContact CG-CZ 3.9Å; Y37-F131 AromaticContact CZ-CE1 3.68Å; Y37-F131 AromaticContact CZ-CZ 3.49Å; Y37-F131 VanDerWaalsContact CZ-CZ 3.49Å |
| 38 | C | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.4 | -39.4 | 172.4 | -71.4 | 0 | 0 | 0 | 0 | 112 | A24 V34 Y36 A42 V127 | A24-C38 HydrophobicContact CB-CB 3.56Å; V34-C38 WeakPolarHBondContact O-CB 3.35Å; V34-C38 PolarHBondContact O-N 3.42Å; V34-C38 PolarHBondContact O-SG 2.94Å; Y36-C38 PolarHBondContact O-N 3.36Å; C38-A42 WeakPolarHBondContact O-CB 3.44Å; C38-A42 PolarHBondContact O-N 2.97Å; C38-V127 HydrophobicContact CB-CG2 4.35Å |
| 39 | R | 97.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 2% | 0.023 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.7 | -36.1 | 174 | -74.4 | 178.9 | 179.1 | 86 | -4.4 | 112.2 | L21 A24 D28 A35 Y36 Y37 A42 M43 L63 L67 | L21-R39 HydrophobicContact CD2-CG 4.48Å; A24-R39 HydrophobicContact CB-CG 3.85Å; D28-R39 IonicContact OD1-CZ 2.88Å; D28-R39 IonicContact OD1-NH1 2.78Å; D28-R39 PolarHBondContact OD1-NH1 2.98Å; D28-R39 IonicContact OD1-NH2 3.42Å; D28-R39 PolarHBondContact OD1-NH2 3.38Å; D28-R39 IonicContact OD2-CZ 3.89Å; D28-R39 IonicContact OD2-NH2 3.3Å; D28-R39 PolarHBondContact OD2-NH2 3.01Å; A35-R39 WeakPolarHBondContact O-CG 3.38Å; A35-R39 PolarHBondContact O-N 3.31Å; A35-R39 PolarHBondContact O-NH1 2.85Å; Y36-R39 PolarHBondContact O-N 3.43Å; Y37-R39 VanDerWaalsContact C-N 3.28Å; Y37-R39 PolarHBondContact O-N 3.34Å; R39-A42 PolarHBondContact O-N 2.99Å; R39-M43 WeakPolarHBondContact O-CB 3.37Å; R39-M43 PolarHBondContact O-N 3.43Å; R39-L63 HydrophobicContact CB-CD1 3.96Å; R39-L63 HydrophobicContact CG-CD1 3.9Å; R39-L67 HydrophobicContact CB-CD2 3.66Å; R39-L67 HydrophobicContact CB-CG 4.06Å |
| 40 | L | 97.7 | Very high | 97 | Very high | 39 Ų | 39 | 37 Ų | 37 | 20% | 0.204 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | 177.7 | -174.9 | 63.1 | 0 | 0 | 0 | 110.6 | Y36 Y37 M43 Q44 L67 | Y36-L40 HydrophobicContact CE1-CD2 4.4Å; Y36-L40 PolarHBondContact O-N 3.25Å; Y37-L40 HydrophobicContact CD1-CD2 3.92Å; Y37-L40 HydrophobicContact CE1-CD2 4.09Å; Y37-L40 WeakPolarHBondContact O-CB 3.25Å; Y37-L40 PolarHBondContact O-N 3.06Å; Y37-L40 VanDerWaalsContact O-N 3.11Å; L40-M43 PolarHBondContact O-N 3.34Å; L40-Q44 WeakPolarHBondContact O-CG 3.24Å; L40-Q44 PolarHBondContact O-N 3.41Å; L40-L67 HydrophobicContact CB-CD2 4.16Å; L40-L67 HydrophobicContact CD1-CD1 4.43Å |
| 41 | Y | 98.3 | Very high | 97 | Very high | 29 Ų | 29 | 33.1 Ų | 33.1 | 11% | 0.114 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.2 | -51.1 | 171.7 | 172.3 | -97.2 | 0 | 0 | 0 | 111.5 | I17 H20 Y37 M43 Q44 T45 D126 V127 T129 V130 | I17-Y41 HydrophobicContact CG2-CE1 4.31Å; H20-Y41 HydrophobicContact CB-CD1 3.98Å; H20-Y41 HydrophobicContact CB-CE1 4.17Å; H20-Y41 AromaticContact CD2-CD1 3.76Å; H20-Y41 AromaticContact CD2-CE1 3.35Å; H20-Y41 WeakPolarHBondContact CD2-CE1 3.25Å; H20-Y41 AromaticContact CE1-CE1 3.81Å; H20-Y41 AromaticContact CG-CD1 3.82Å; H20-Y41 AromaticContact CG-CE1 3.52Å; H20-Y41 AromaticContact ND1-CE1 3.83Å; H20-Y41 AromaticContact NE2-CE1 3.54Å; Y37-Y41 PolarHBondContact O-N 3.37Å; Y41-M43 PolarHBondContact O-N 3.3Å; Y41-Q44 PolarHBondContact O-N 3.46Å; Y41-T45 WeakPolarHBondContact CE2-OG1 3.32Å; Y41-T45 WeakPolarHBondContact O-CB 3.43Å; Y41-T45 PolarHBondContact O-N 3.31Å; Y41-T45 PolarHBondContact O-OG1 3.48Å; Y41-T45 VanDerWaalsContact O-OG1 3.12Å; Y41-D126 VanDerWaalsContact CD2-O 3.32Å; Y41-D126 WeakPolarHBondContact CD2-O 3.38Å; Y41-D126 HydrophobicContact CE2-CB 4.31Å; Y41-D126 WeakPolarHBondContact CE2-O 3.37Å; Y41-V127 HydrophobicContact CD1-CG2 4.06Å; Y41-V127 HydrophobicContact CG-CB 4.38Å; Y41-V127 HydrophobicContact CG-CG2 4Å; Y41-T129 WeakPolarHBondContact CE2-OG1 3.46Å; Y41-V130 HydrophobicContact CD2-CG1 3.98Å; Y41-V130 HydrophobicContact CG-CG1 4.29Å |
| 42 | A | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.2 | -37.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I17 L21 C38 R39 G46 L63 | I17-A42 HydrophobicContact CB-CB 4.39Å; I17-A42 HydrophobicContact CD1-CB 4.1Å; I17-A42 WeakPolarHBondContact CD1-O 3.42Å; L21-A42 HydrophobicContact CD1-CB 4.43Å; L21-A42 HydrophobicContact CD2-CB 3.52Å; L21-A42 HydrophobicContact CG-CB 3.73Å; C38-A42 WeakPolarHBondContact O-CB 3.44Å; C38-A42 PolarHBondContact O-N 2.97Å; R39-A42 PolarHBondContact O-N 2.99Å; A42-G46 WeakPolarHBondContact O-CA 3.45Å; A42-G46 PolarHBondContact O-N 2.93Å; A42-L63 HydrophobicContact CB-CD2 4.16Å |
| 43 | M | 97.7 | Very high | 96.9 | Very high | 22 Ų | 22 | 40.3 Ų | 40.3 | 11% | 0.108 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.5 | -50.7 | 176.1 | -175.8 | 65.1 | -179.6 | 0 | 0 | 111.7 | R39 L40 Y41 T45 G46 M47 L60 L63 M64 L67 | R39-M43 WeakPolarHBondContact O-CB 3.37Å; R39-M43 PolarHBondContact O-N 3.43Å; L40-M43 PolarHBondContact O-N 3.34Å; Y41-M43 PolarHBondContact O-N 3.3Å; M43-T45 PolarHBondContact O-N 3.04Å; M43-G46 PolarHBondContact O-N 3.5Å; M43-M47 HydrophobicContact CE-CG 4.2Å; M43-M47 HydrophobicContact CE-SD 3.83Å; M43-M47 HydrophobicContact CG-SD 4.46Å; M43-M47 WeakPolarHBondContact O-CB 3.47Å; M43-M47 VanDerWaalsContact O-CG 3.29Å; M43-M47 WeakPolarHBondContact O-CG 3.32Å; M43-M47 PolarHBondContact O-N 3.36Å; M43-L60 HydrophobicContact CE-CB 4.13Å; M43-L60 HydrophobicContact SD-CB 3.98Å; M43-L60 HydrophobicContact SD-CD2 3.7Å; M43-L60 HydrophobicContact SD-CG 4.41Å; M43-L63 HydrophobicContact CB-CD2 3.9Å; M43-L63 HydrophobicContact CB-CG 4.34Å; M43-L63 HydrophobicContact SD-CB 4.35Å; M43-L63 HydrophobicContact SD-CD2 4.17Å; M43-L63 HydrophobicContact SD-CG 4.32Å; M43-M64 HydrophobicContact CE-CB 3.96Å; M43-M64 HydrophobicContact CE-CG 4.42Å; M43-M64 HydrophobicContact CE-SD 4.09Å; M43-L67 HydrophobicContact CB-CD1 3.67Å; M43-L67 HydrophobicContact CG-CD1 3.95Å |
| 44 | Q | 97.2 | Very high | 96.8 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 34% | 0.336 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 179 | -71.4 | -175.4 | 7.8 | 0 | 0 | 111.7 | L40 Y41 M47 K48 | L40-Q44 WeakPolarHBondContact O-CG 3.24Å; L40-Q44 PolarHBondContact O-N 3.41Å; Y41-Q44 PolarHBondContact O-N 3.46Å; Q44-M47 PolarHBondContact O-N 3.06Å; Q44-K48 WeakPolarHBondContact O-CG 3.44Å; Q44-K48 PolarHBondContact O-N 3.34Å |
| 45 | T | 97.5 | Very high | 96.7 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.5 | -43.2 | 179.1 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | I17 Y41 M43 M47 K48 I49 | I17-T45 HydrophobicContact CG2-CG2 3.45Å; I17-T45 VanDerWaalsContact CG2-CG2 3.45Å; Y41-T45 WeakPolarHBondContact CE2-OG1 3.32Å; Y41-T45 WeakPolarHBondContact O-CB 3.43Å; Y41-T45 PolarHBondContact O-N 3.31Å; Y41-T45 PolarHBondContact O-OG1 3.48Å; Y41-T45 VanDerWaalsContact O-OG1 3.12Å; M43-T45 PolarHBondContact O-N 3.04Å; T45-M47 VanDerWaalsContact C-N 3.33Å; T45-M47 PolarHBondContact O-N 3.27Å; T45-K48 WeakPolarHBondContact O-CB 3.36Å; T45-K48 PolarHBondContact O-N 2.96Å; T45-K48 VanDerWaalsContact O-N 3.12Å; T45-I49 HydrophobicContact CG2-CD1 3.96Å; T45-I49 WeakPolarHBondContact O-CG1 3.31Å; T45-I49 PolarHBondContact O-N 3.34Å |
| 46 | G | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | F14 A42 M43 K48 I49 D50 | F14-G46 VanDerWaalsContact CE1-O 3.24Å; F14-G46 WeakPolarHBondContact CE1-O 3.27Å; A42-G46 WeakPolarHBondContact O-CA 3.45Å; A42-G46 PolarHBondContact O-N 2.93Å; M43-G46 PolarHBondContact O-N 3.5Å; G46-K48 VanDerWaalsContact C-N 3.32Å; G46-K48 PolarHBondContact O-N 2.97Å; G46-I49 PolarHBondContact O-N 2.99Å; G46-D50 PolarHBondContact O-N 3.46Å |
| 47 | M | 96.5 | Very high | 96.5 | Very high | 103 Ų | 103 | 55.3 Ų | 55.3 | 51% | 0.507 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -34.4 | 173.7 | -76.2 | -176.9 | 71.2 | 0 | 0 | 113.4 | M43 Q44 T45 L60 | M43-M47 HydrophobicContact CE-CG 4.2Å; M43-M47 HydrophobicContact CE-SD 3.83Å; M43-M47 HydrophobicContact CG-SD 4.46Å; M43-M47 WeakPolarHBondContact O-CB 3.47Å; M43-M47 VanDerWaalsContact O-CG 3.29Å; M43-M47 WeakPolarHBondContact O-CG 3.32Å; M43-M47 PolarHBondContact O-N 3.36Å; Q44-M47 PolarHBondContact O-N 3.06Å; T45-M47 VanDerWaalsContact C-N 3.33Å; T45-M47 PolarHBondContact O-N 3.27Å; M47-L60 HydrophobicContact CG-CD1 3.99Å |
| 48 | K | 96.4 | Very high | 96.4 | Very high | 171 Ų | 171 | 62 Ų | 62 | 74% | 0.743 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -71.2 | -35 | 175.3 | -71.1 | 173.2 | -176.1 | 176.8 | 0 | 112.2 | Q44 T45 G46 | Q44-K48 WeakPolarHBondContact O-CG 3.44Å; Q44-K48 PolarHBondContact O-N 3.34Å; T45-K48 WeakPolarHBondContact O-CB 3.36Å; T45-K48 PolarHBondContact O-N 2.96Å; T45-K48 VanDerWaalsContact O-N 3.12Å; G46-K48 VanDerWaalsContact C-N 3.32Å; G46-K48 PolarHBondContact O-N 2.97Å |
| 49 | I | 96.7 | Very high | 96.4 | Very high | 73 Ų | 73 | 62.2 Ų | 62.2 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.8 | -60.9 | 179.1 | -65.2 | 164.1 | 0 | 0 | 0 | 111 | Q13 F14 S16 T45 G46 | Q13-I49 HydrophobicContact CB-CG2 4.14Å; F14-I49 HydrophobicContact CD1-CB 4.31Å; F14-I49 HydrophobicContact CD1-CD1 4.39Å; F14-I49 HydrophobicContact CD1-CG2 4.21Å; F14-I49 HydrophobicContact CE1-CB 4.17Å; F14-I49 HydrophobicContact CE1-CG2 4.26Å; S16-I49 WeakPolarHBondContact OG-CD1 3.35Å; T45-I49 HydrophobicContact CG2-CD1 3.96Å; T45-I49 WeakPolarHBondContact O-CG1 3.31Å; T45-I49 PolarHBondContact O-N 3.34Å; G46-I49 PolarHBondContact O-N 2.99Å |
| 50 | D | 95.4 | Very high | 96.4 | Very high | 28 Ų | 28 | 62.4 Ų | 62.4 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | trans | -158.2 | 110.6 | -177.9 | -171.3 | -13.3 | 0 | 0 | 0 | 111.7 | F14 G46 K52 T53 C56 | F14-D50 HydrophobicContact CE1-CB 4.35Å; F14-D50 WeakPolarHBondContact CZ-O 3.36Å; G46-D50 PolarHBondContact O-N 3.46Å; D50-K52 PolarHBondContact OD1-N 2.91Å; D50-T53 PolarHBondContact OD1-N 3.42Å; D50-T53 PolarHBondContact OD1-OG1 2.88Å; D50-T53 WeakPolarHBondContact OD2-CB 3.33Å; D50-T53 PolarHBondContact OD2-OG1 2.94Å; D50-C56 HydrophobicContact CB-CB 4.28Å; D50-C56 VanDerWaalsContact O-CB 3.32Å; D50-C56 WeakPolarHBondContact O-CB 3.45Å | ||
| 51 | S | 93.6 | Very high | 96.3 | Very high | 44 Ų | 44 | 63.6 Ų | 63.6 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -109.3 | 5.5 | 174 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 52 | K | 93.4 | Very high | 96.2 | Very high | 155 Ų | 155 | 67 Ų | 67 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -108.5 | -39.2 | -170.2 | -56.6 | -57.3 | 177.5 | 70.3 | 0 | 112.1 | D50 | D50-K52 PolarHBondContact OD1-N 2.91Š|
| 53 | T | 95.8 | Very high | 96.1 | Very high | 49 Ų | 49 | 67 Ų | 67 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -61.8 | 132.2 | 178.8 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | D50 E55 C56 R57 | D50-T53 PolarHBondContact OD1-N 3.42Å; D50-T53 PolarHBondContact OD1-OG1 2.88Å; D50-T53 WeakPolarHBondContact OD2-CB 3.33Å; D50-T53 PolarHBondContact OD2-OG1 2.94Å; T53-E55 VanDerWaalsContact C-N 3.27Å; T53-E55 HydrophobicContact CG2-CB 4.47Å; T53-E55 PolarHBondContact O-N 2.88Å; T53-C56 PolarHBondContact O-N 2.56Å; T53-C56 VanDerWaalsContact O-N 3.14Å; T53-R57 PolarHBondContact O-N 3.45Å |
| 54 | P | 95.3 | Very high | 96.1 | Very high | 93 Ų | 93 | 69.5 Ų | 69.5 | 60% | 0.604 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -56.3 | -36.3 | -174.3 | -28.9 | 35.5 | 0 | 0 | 0 | 114.7 | K58 | P54-K58 WeakPolarHBondContact O-CB 3.37Å; P54-K58 VanDerWaalsContact O-CG 3.27Å; P54-K58 WeakPolarHBondContact O-CG 3.1Å; P54-K58 PolarHBondContact O-N 2.65Å |
| 55 | E | 95.5 | Very high | 96 | Very high | 103 Ų | 103 | 70 Ų | 70 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.7 | -48.7 | 177 | -166.4 | -175.6 | 171.7 | 0 | 0 | 111.7 | P11 T53 R57 K58 F59 | P11-E55 HydrophobicContact CB-CG 4.41Å; P11-E55 HydrophobicContact CG-CG 4.16Å; T53-E55 VanDerWaalsContact C-N 3.27Å; T53-E55 HydrophobicContact CG2-CB 4.47Å; T53-E55 PolarHBondContact O-N 2.88Å; E55-R57 VanDerWaalsContact C-N 3.34Å; E55-R57 PolarHBondContact O-N 2.94Å; E55-K58 PolarHBondContact O-N 3.35Å; E55-F59 PolarHBondContact O-N 2.77Å |
| 56 | C | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 175.1 | -69 | 0 | 0 | 0 | 0 | 111.7 | F14 D50 T53 K58 F59 L60 | F14-C56 HydrophobicContact CE1-CB 4.33Å; F14-C56 HydrophobicContact CE2-CB 3.95Å; F14-C56 HydrophobicContact CZ-CB 3.58Å; D50-C56 HydrophobicContact CB-CB 4.28Å; D50-C56 VanDerWaalsContact O-CB 3.32Å; D50-C56 WeakPolarHBondContact O-CB 3.45Å; T53-C56 PolarHBondContact O-N 2.56Å; T53-C56 VanDerWaalsContact O-N 3.14Å; C56-K58 PolarHBondContact O-N 2.89Å; C56-F59 PolarHBondContact O-N 2.99Å; C56-L60 WeakPolarHBondContact O-CB 3.24Å; C56-L60 WeakPolarHBondContact O-CG 3.32Å; C56-L60 PolarHBondContact O-N 3.01Å |
| 57 | R | 95.3 | Very high | 95.9 | Very high | 144 Ų | 144 | 69.8 Ų | 69.8 | 54% | 0.543 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 176.7 | -172.6 | -178.8 | -64.4 | 169.6 | 2 | 112.4 | T53 E55 F59 L60 S61 | T53-R57 PolarHBondContact O-N 3.45Å; E55-R57 VanDerWaalsContact C-N 3.34Å; E55-R57 PolarHBondContact O-N 2.94Å; R57-F59 VanDerWaalsContact C-N 3.33Å; R57-L60 PolarHBondContact O-N 3.44Å; R57-S61 VanDerWaalsContact O-CB 3.29Å; R57-S61 WeakPolarHBondContact O-CB 3.33Å; R57-S61 PolarHBondContact O-N 3.43Å |
| 58 | K | 95.8 | Very high | 95.8 | Very high | 147 Ų | 147 | 70.1 Ų | 70.1 | 64% | 0.639 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 176.1 | -77 | 172.8 | -175.9 | 176.7 | 0 | 111.3 | P54 E55 C56 K62 | P54-K58 WeakPolarHBondContact O-CB 3.37Å; P54-K58 VanDerWaalsContact O-CG 3.27Å; P54-K58 WeakPolarHBondContact O-CG 3.1Å; P54-K58 PolarHBondContact O-N 2.65Å; E55-K58 PolarHBondContact O-N 3.35Å; C56-K58 PolarHBondContact O-N 2.89Å; K58-K62 PolarHBondContact O-N 2.82Å |
| 59 | F | 97.5 | Very high | 95.7 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.8 | -52.5 | 176.8 | -176.6 | -87.3 | 0 | 0 | 0 | 111.7 | L7 P8 L10 P11 F14 L21 E55 C56 R57 S61 K62 L63 | L7-F59 HydrophobicContact CB-CE2 3.91Å; L7-F59 HydrophobicContact CB-CZ 4.41Å; L7-F59 HydrophobicContact CD1-CE2 4.15Å; L7-F59 HydrophobicContact CD1-CZ 3.79Å; P8-F59 HydrophobicContact CB-CD2 4.37Å; P8-F59 WeakPolarHBondContact O-CD2 3.45Å; P8-F59 WeakPolarHBondContact O-CE2 2.85Å; L10-F59 HydrophobicContact CD1-CD2 4.45Å; L10-F59 HydrophobicContact CD1-CE1 3.84Å; L10-F59 HydrophobicContact CD1-CE2 3.73Å; L10-F59 HydrophobicContact CD1-CZ 3.4Å; P11-F59 HydrophobicContact CG-CB 3.88Å; P11-F59 HydrophobicContact CG-CG 4.2Å; F14-F59 AromaticContact CD2-CD1 3.67Å; F14-F59 HydrophobicContact CD2-CD1 3.67Å; F14-F59 HydrophobicContact CD2-CE1 4.12Å; F14-F59 HydrophobicContact CD2-CG 4.26Å; F14-F59 HydrophobicContact CE2-CB 4.32Å; F14-F59 AromaticContact CE2-CD1 3.74Å; F14-F59 HydrophobicContact CE2-CD1 3.74Å; F14-F59 HydrophobicContact CE2-CG 4.32Å; L21-F59 HydrophobicContact CD1-CE1 4.05Å; L21-F59 HydrophobicContact CD1-CZ 3.64Å; E55-F59 PolarHBondContact O-N 2.77Å; C56-F59 PolarHBondContact O-N 2.99Å; R57-F59 VanDerWaalsContact C-N 3.33Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 PolarHBondContact O-N 3.17Å; F59-K62 PolarHBondContact O-N 3.28Å; F59-K62 VanDerWaalsContact O-N 3.16Å; F59-L63 HydrophobicContact CE1-CD2 4.19Å; F59-L63 PolarHBondContact O-N 3.49Å |
| 60 | L | 97.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61 | -37.4 | 179.1 | -67.8 | 174.8 | 0 | 0 | 0 | 112.2 | F14 M43 M47 C56 R57 L63 M64 | F14-L60 HydrophobicContact CE2-CD1 4.39Å; F14-L60 HydrophobicContact CE2-CD2 3.93Å; F14-L60 HydrophobicContact CE2-CG 3.83Å; F14-L60 HydrophobicContact CZ-CD1 3.86Å; F14-L60 HydrophobicContact CZ-CD2 3.98Å; F14-L60 HydrophobicContact CZ-CG 3.82Å; M43-L60 HydrophobicContact CE-CB 4.13Å; M43-L60 HydrophobicContact SD-CB 3.98Å; M43-L60 HydrophobicContact SD-CD2 3.7Å; M43-L60 HydrophobicContact SD-CG 4.41Å; M47-L60 HydrophobicContact CG-CD1 3.99Å; C56-L60 WeakPolarHBondContact O-CB 3.24Å; C56-L60 WeakPolarHBondContact O-CG 3.32Å; C56-L60 PolarHBondContact O-N 3.01Å; R57-L60 PolarHBondContact O-N 3.44Å; L60-L63 PolarHBondContact O-N 2.86Å; L60-M64 WeakPolarHBondContact O-CB 3.29Å; L60-M64 PolarHBondContact O-N 3.12Å |
| 61 | S | 96.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 65 Ų | 65 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 174.5 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | R57 F59 L63 M64 D65 | R57-S61 VanDerWaalsContact O-CB 3.29Å; R57-S61 WeakPolarHBondContact O-CB 3.33Å; R57-S61 PolarHBondContact O-N 3.43Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 PolarHBondContact O-N 3.17Å; S61-L63 VanDerWaalsContact C-N 3.35Å; S61-M64 WeakPolarHBondContact O-CB 3.43Å; S61-M64 PolarHBondContact O-N 3.4Å; S61-D65 VanDerWaalsContact O-CG 3.31Å; S61-D65 PolarHBondContact O-N 3.47Å |
| 62 | K | 96.3 | Very high | 95.5 | Very high | 99 Ų | 99 | 71.8 Ų | 71.8 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.6 | -32.6 | 177.3 | -66.5 | -48.9 | -168.1 | 80.1 | 0 | 112.8 | L7 P8 K58 F59 M64 D65 Q66 | L7-K62 HydrophobicContact CD2-CB 4.02Å; P8-K62 HydrophobicContact CG-CB 4.29Å; P8-K62 HydrophobicContact CG-CG 3.93Å; K58-K62 PolarHBondContact O-N 2.82Å; F59-K62 PolarHBondContact O-N 3.28Å; F59-K62 VanDerWaalsContact O-N 3.16Å; K62-M64 VanDerWaalsContact C-N 3.32Å; K62-D65 VanDerWaalsContact CD-OD2 3.31Å; K62-D65 WeakPolarHBondContact CD-OD2 3.45Å; K62-D65 PolarHBondContact O-N 2.93Å; K62-Q66 PolarHBondContact O-N 3.44Å; K62-Q66 VanDerWaalsContact O-N 3.11Å |
| 63 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 173.4 | -177.1 | 60.2 | 0 | 0 | 0 | 111.4 | L7 L21 R39 A42 M43 F59 L60 S61 Q66 L67 | L7-L63 HydrophobicContact CD1-CD1 3.95Å; L7-L63 HydrophobicContact CD2-CB 4.21Å; L7-L63 HydrophobicContact CD2-CD1 4.43Å; L21-L63 HydrophobicContact CD2-CD1 4.03Å; L21-L63 HydrophobicContact CD2-CD2 4.42Å; R39-L63 HydrophobicContact CB-CD1 3.96Å; R39-L63 HydrophobicContact CG-CD1 3.9Å; A42-L63 HydrophobicContact CB-CD2 4.16Å; M43-L63 HydrophobicContact CB-CD2 3.9Å; M43-L63 HydrophobicContact CB-CG 4.34Å; M43-L63 HydrophobicContact SD-CB 4.35Å; M43-L63 HydrophobicContact SD-CD2 4.17Å; M43-L63 HydrophobicContact SD-CG 4.32Å; F59-L63 HydrophobicContact CE1-CD2 4.19Å; F59-L63 PolarHBondContact O-N 3.49Å; L60-L63 PolarHBondContact O-N 2.86Å; S61-L63 VanDerWaalsContact C-N 3.35Å; L63-Q66 WeakPolarHBondContact O-CB 3.44Å; L63-Q66 PolarHBondContact O-N 2.94Å; L63-L67 PolarHBondContact O-N 3.28Å |
| 64 | M | 96.4 | Very high | 95.4 | Very high | 76 Ų | 76 | 66.8 Ų | 66.8 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 173 | -167.4 | 65.7 | -172.7 | 0 | 0 | 111.6 | M43 L60 S61 K62 Q66 L67 E68 | M43-M64 HydrophobicContact CE-CB 3.96Å; M43-M64 HydrophobicContact CE-CG 4.42Å; M43-M64 HydrophobicContact CE-SD 4.09Å; L60-M64 WeakPolarHBondContact O-CB 3.29Å; L60-M64 PolarHBondContact O-N 3.12Å; S61-M64 WeakPolarHBondContact O-CB 3.43Å; S61-M64 PolarHBondContact O-N 3.4Å; K62-M64 VanDerWaalsContact C-N 3.32Å; M64-Q66 PolarHBondContact O-N 3.25Å; M64-L67 WeakPolarHBondContact O-CB 3.24Å; M64-L67 PolarHBondContact O-N 3.13Å; M64-E68 HydrophobicContact CE-CG 4.08Å; M64-E68 WeakPolarHBondContact CE-OE1 3.35Å; M64-E68 HydrophobicContact CG-CG 4.49Å; M64-E68 WeakPolarHBondContact O-CG 3.18Å; M64-E68 PolarHBondContact O-N 2.59Å |
| 65 | D | 96.3 | Very high | 95 | Very high | 81 Ų | 81 | 64 Ų | 64 | 43% | 0.433 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.2 | -41.2 | 175.3 | -60 | -25.4 | 0 | 0 | 0 | 111.4 | S61 K62 A69 | S61-D65 VanDerWaalsContact O-CG 3.31Å; S61-D65 PolarHBondContact O-N 3.47Å; K62-D65 VanDerWaalsContact CD-OD2 3.31Å; K62-D65 WeakPolarHBondContact CD-OD2 3.45Å; K62-D65 PolarHBondContact O-N 2.93Å; D65-A69 WeakPolarHBondContact O-CB 3.44Å; D65-A69 PolarHBondContact O-N 3.2Å |
| 66 | Q | 95.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 67.3 Ų | 67.3 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 174.9 | -72.7 | -166.3 | -11.1 | 0 | 0 | 112.7 | L4 A5 L7 K62 L63 M64 A69 L70 | L4-Q66 HydrophobicContact CB-CG 4.18Å; L4-Q66 HydrophobicContact CD2-CB 4.33Å; L4-Q66 HydrophobicContact CD2-CG 4.44Å; A5-Q66 PolarHBondContact O-NE2 2.74Å; L7-Q66 VanDerWaalsContact CD2-CD 3.46Å; L7-Q66 HydrophobicContact CD2-CG 3.98Å; K62-Q66 PolarHBondContact O-N 3.44Å; K62-Q66 VanDerWaalsContact O-N 3.11Å; L63-Q66 WeakPolarHBondContact O-CB 3.44Å; L63-Q66 PolarHBondContact O-N 2.94Å; M64-Q66 PolarHBondContact O-N 3.25Å; Q66-A69 PolarHBondContact O-N 2.99Å; Q66-L70 WeakPolarHBondContact O-CB 3.32Å; Q66-L70 PolarHBondContact O-N 2.98Å |
| 67 | L | 95.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 178.5 | -82.8 | 167.9 | 0 | 0 | 0 | 111.6 | Y36 R39 L40 M43 L63 M64 L70 K71 | Y36-L67 HydrophobicContact CD2-CD2 3.75Å; Y36-L67 HydrophobicContact CE2-CD2 3.75Å; R39-L67 HydrophobicContact CB-CD2 3.66Å; R39-L67 HydrophobicContact CB-CG 4.06Å; L40-L67 HydrophobicContact CB-CD2 4.16Å; L40-L67 HydrophobicContact CD1-CD1 4.43Å; M43-L67 HydrophobicContact CB-CD1 3.67Å; M43-L67 HydrophobicContact CG-CD1 3.95Å; L63-L67 PolarHBondContact O-N 3.28Å; M64-L67 WeakPolarHBondContact O-CB 3.24Å; M64-L67 PolarHBondContact O-N 3.13Å; L67-L70 PolarHBondContact O-N 3Å; L67-K71 VanDerWaalsContact O-CB 3.3Å; L67-K71 WeakPolarHBondContact O-CB 3.3Å; L67-K71 PolarHBondContact O-N 3.01Å |
| 68 | E | 95.2 | Very high | 94.8 | Very high | 110 Ų | 110 | 68.4 Ų | 68.4 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.5 | -69.6 | 178 | -177.3 | 0 | 0 | 111.5 | M64 K71 K72 | M64-E68 HydrophobicContact CE-CG 4.08Å; M64-E68 WeakPolarHBondContact CE-OE1 3.35Å; M64-E68 HydrophobicContact CG-CG 4.49Å; M64-E68 WeakPolarHBondContact O-CG 3.18Å; M64-E68 PolarHBondContact O-N 2.59Å; E68-K71 PolarHBondContact O-N 2.99Å; E68-K72 WeakPolarHBondContact O-CB 3.47Å; E68-K72 PolarHBondContact O-N 3.17Å |
| 69 | A | 94.8 | Very high | 94.7 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L4 D65 Q66 K72 Q73 | L4-A69 HydrophobicContact CD2-CB 3.84Å; D65-A69 WeakPolarHBondContact O-CB 3.44Å; D65-A69 PolarHBondContact O-N 3.2Å; Q66-A69 PolarHBondContact O-N 2.99Å; A69-K72 PolarHBondContact O-N 3.26Å; A69-Q73 WeakPolarHBondContact O-CB 3.44Å; A69-Q73 PolarHBondContact O-N 3.16Å |
| 70 | L | 92.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 176.2 | -83.3 | 169.3 | 0 | 0 | 0 | 111.8 | L4 Y36 Q66 L67 K72 Q73 L74 | L4-L70 HydrophobicContact CD1-CD1 3.71Å; L4-L70 HydrophobicContact CD1-CD2 3.97Å; L4-L70 HydrophobicContact CD1-CG 3.71Å; L4-L70 HydrophobicContact CD2-CG 4.08Å; L4-L70 HydrophobicContact CG-CG 4.46Å; Y36-L70 HydrophobicContact CD2-CB 4.02Å; Q66-L70 WeakPolarHBondContact O-CB 3.32Å; Q66-L70 PolarHBondContact O-N 2.98Å; L67-L70 PolarHBondContact O-N 3Å; L70-K72 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 3.43Å; L70-Q73 PolarHBondContact O-N 3.02Å; L70-Q73 VanDerWaalsContact O-N 3.13Å; L70-L74 WeakPolarHBondContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.43Å; L70-L74 PolarHBondContact O-N 3.32Å |
| 71 | K | 94.2 | Very high | 94.4 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 50% | 0.496 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 178.7 | -171.2 | 174.1 | -175.5 | 174.5 | 0 | 111.5 | Y36 L67 E68 Q73 L74 G75 V80 | Y36-K71 HydrophobicContact CE2-CB 3.91Å; Y36-K71 HydrophobicContact CE2-CG 4.48Å; L67-K71 VanDerWaalsContact O-CB 3.3Å; L67-K71 WeakPolarHBondContact O-CB 3.3Å; L67-K71 PolarHBondContact O-N 3.01Å; E68-K71 PolarHBondContact O-N 2.99Å; K71-Q73 VanDerWaalsContact C-N 3.33Å; K71-Q73 PolarHBondContact O-N 3.47Å; K71-L74 CarbonylContact O-C 3.52Å; K71-L74 PolarHBondContact O-N 3.3Å; K71-G75 WeakPolarHBondContact O-CA 3.41Å; K71-G75 PolarHBondContact O-N 3.32Å; K71-V80 HydrophobicContact CG-CG1 4.1Å |
| 72 | K | 94.3 | Very high | 94.3 | Very high | 185 Ų | 185 | 67.1 Ų | 67.1 | 80% | 0.804 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 174.4 | -176.6 | 177 | -179.2 | 177.3 | 0 | 111.8 | E68 A69 L70 L74 G75 | E68-K72 WeakPolarHBondContact O-CB 3.47Å; E68-K72 PolarHBondContact O-N 3.17Å; A69-K72 PolarHBondContact O-N 3.26Å; L70-K72 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 3.43Å; K72-L74 VanDerWaalsContact C-N 3.32Å; K72-G75 PolarHBondContact O-N 2.82Å |
| 73 | Q | 92.4 | Very high | 94.1 | Very high | 81 Ų | 81 | 69.1 Ų | 69.1 | 38% | 0.379 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.7 | -29.3 | 179.6 | -157.7 | -161.3 | -94 | 0 | 0 | 112.8 | M1 A69 L70 K71 | M1-Q73 VanDerWaalsContact SD-CD 3.56Å; M1-Q73 PolarHBondContact SD-NE2 3.15Å; M1-Q73 PolarHBondContact SD-OE1 2.87Å; A69-Q73 WeakPolarHBondContact O-CB 3.44Å; A69-Q73 PolarHBondContact O-N 3.16Å; L70-Q73 PolarHBondContact O-N 3.02Å; L70-Q73 VanDerWaalsContact O-N 3.13Å; K71-Q73 VanDerWaalsContact C-N 3.33Å; K71-Q73 PolarHBondContact O-N 3.47Å |
| 74 | L | 93.5 | Very high | 94 | Very high | 18 Ų | 18 | 75.4 Ų | 75.4 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 19.4 | 179.1 | -59.8 | 173.6 | 0 | 0 | 0 | 112.4 | P32 L70 K71 K72 D76 N77 V80 | P32-L74 HydrophobicContact CB-CD1 3.94Å; P32-L74 HydrophobicContact CB-CD2 3.88Å; P32-L74 HydrophobicContact CB-CG 4.45Å; L70-L74 WeakPolarHBondContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.43Å; L70-L74 PolarHBondContact O-N 3.32Å; K71-L74 CarbonylContact O-C 3.52Å; K71-L74 PolarHBondContact O-N 3.3Å; K72-L74 VanDerWaalsContact C-N 3.32Å; L74-D76 PolarHBondContact O-N 3.41Å; L74-D76 VanDerWaalsContact O-N 3.08Å; L74-N77 HydrophobicContact CB-CB 4.24Å; L74-N77 VanDerWaalsContact O-CB 3.27Å; L74-N77 WeakPolarHBondContact O-CB 3.37Å; L74-N77 PolarHBondContact O-N 3.31Å; L74-V80 HydrophobicContact CB-CB 4.35Å; L74-V80 HydrophobicContact CB-CG1 4.46Å; L74-V80 HydrophobicContact CB-CG2 3.83Å; L74-V80 HydrophobicContact CD1-CG2 3.93Å |
| 75 | G | 88 | Confident | 94 | Very high | 36 Ų | 36 | 73.9 Ų | 73.9 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K71 K72 T81 | K71-G75 WeakPolarHBondContact O-CA 3.41Å; K71-G75 PolarHBondContact O-N 3.32Å; K72-G75 PolarHBondContact O-N 2.82Å; G75-T81 WeakPolarHBondContact O-CG2 3.27Å |
| 76 | D | 92.1 | Very high | 94 | Very high | 171 Ų | 171 | 70 Ų | 70 | 91% | 0.914 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 0.7 | 178.4 | -55.9 | -38.3 | 0 | 0 | 0 | 113.1 | L74 | L74-D76 PolarHBondContact O-N 3.41Å; L74-D76 VanDerWaalsContact O-N 3.08Å |
| 77 | N | 93.5 | Very high | 94.1 | Very high | 61 Ų | 61 | 70.5 Ų | 70.5 | 33% | 0.326 | 37% | 0.367 | S | S | . | . | trans | -82.3 | 119.6 | -179.5 | -169.1 | -39.2 | 0 | 0 | 0 | 110.2 | V33 L74 A79 V80 T81 | V33-N77 WeakPolarHBondContact CG2-ND2 3.14Å; L74-N77 HydrophobicContact CB-CB 4.24Å; L74-N77 VanDerWaalsContact O-CB 3.27Å; L74-N77 WeakPolarHBondContact O-CB 3.37Å; L74-N77 PolarHBondContact O-N 3.31Å; N77-A79 PolarHBondContact O-N 3.06Å; N77-A79 WeakPolarHBondContact OD1-CB 3.5Å; N77-A79 PolarHBondContact OD1-N 2.93Å; N77-V80 HydrophobicContact CB-CG2 4.42Å; N77-V80 PolarHBondContact O-N 3.35Å; N77-T81 PolarHBondContact O-N 2.71Å; N77-T81 PolarHBondContact O-OG1 3.39Å | ||
| 78 | E | 95.1 | Very high | 94.1 | Very high | 106 Ų | 106 | 72 Ų | 72 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -53.6 | -37.9 | -180 | -165.5 | -179.7 | -162.9 | 0 | 0 | 112.8 | V80 T81 Q82 V85 | E78-V80 PolarHBondContact O-N 3.2Å; E78-V80 VanDerWaalsContact O-N 3.16Å; E78-T81 WeakPolarHBondContact CA-OG1 3.35Å; E78-T81 PolarHBondContact O-N 3.1Å; E78-T81 PolarHBondContact O-OG1 3.45Å; E78-Q82 HydrophobicContact CG-CG 4.3Å; E78-Q82 VanDerWaalsContact CG-NE2 3.35Å; E78-Q82 WeakPolarHBondContact O-CB 3.29Å; E78-Q82 PolarHBondContact O-N 2.94Å; E78-Q82 PolarHBondContact OE1-NE2 3.27Å; E78-V85 HydrophobicContact CB-CG1 4.39Å; E78-V85 HydrophobicContact CG-CB 4.28Å; E78-V85 HydrophobicContact CG-CG1 4.12Å; E78-V85 HydrophobicContact CG-CG2 3.98Å |
| 79 | A | 95.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 69.8 Ų | 69.8 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.4 | -8.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V33 Y37 N77 V85 G86 H89 | V33-A79 HydrophobicContact CG1-CB 3.72Å; V33-A79 HydrophobicContact CG2-CB 4.15Å; Y37-A79 VanDerWaalsContact CE2-O 3.23Å; Y37-A79 WeakPolarHBondContact CE2-O 3.27Å; Y37-A79 PolarHBondContact OH-O 3.23Å; N77-A79 PolarHBondContact O-N 3.06Å; N77-A79 WeakPolarHBondContact OD1-CB 3.5Å; N77-A79 PolarHBondContact OD1-N 2.93Å; A79-V85 HydrophobicContact CB-CG1 4.07Å; A79-G86 WeakPolarHBondContact O-CA 3.32Å; A79-H89 HydrophobicContact CB-CB 4.43Å |
| 80 | V | 94.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 67.5 Ų | 67.5 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -107.5 | -29.4 | 173.3 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | V33 Y36 K71 L74 N77 E78 | V33-V80 HydrophobicContact CG2-CG2 4.39Å; Y36-V80 HydrophobicContact CD1-CG1 4.47Å; Y36-V80 HydrophobicContact CD1-CG2 4.29Å; Y36-V80 HydrophobicContact CE1-CG1 4.11Å; K71-V80 HydrophobicContact CG-CG1 4.1Å; L74-V80 HydrophobicContact CB-CB 4.35Å; L74-V80 HydrophobicContact CB-CG1 4.46Å; L74-V80 HydrophobicContact CB-CG2 3.83Å; L74-V80 HydrophobicContact CD1-CG2 3.93Å; N77-V80 HydrophobicContact CB-CG2 4.42Å; N77-V80 PolarHBondContact O-N 3.35Å; E78-V80 PolarHBondContact O-N 3.2Å; E78-V80 VanDerWaalsContact O-N 3.16Å |
| 81 | T | 94 | Very high | 94.5 | Very high | 88 Ų | 88 | 70.1 Ų | 70.1 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -82.5 | -30.2 | 178.7 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | G75 N77 E78 | G75-T81 WeakPolarHBondContact O-CG2 3.27Å; N77-T81 PolarHBondContact O-N 2.71Å; N77-T81 PolarHBondContact O-OG1 3.39Å; E78-T81 WeakPolarHBondContact CA-OG1 3.35Å; E78-T81 PolarHBondContact O-N 3.1Å; E78-T81 PolarHBondContact O-OG1 3.45Å |
| 82 | Q | 93.7 | Very high | 94.6 | Very high | 92 Ų | 92 | 69 Ų | 69 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | trans | -116.3 | 115.8 | 177.6 | -62 | -174.5 | 47.5 | 0 | 0 | 110.6 | E78 I84 V85 G86 | E78-Q82 HydrophobicContact CG-CG 4.3Å; E78-Q82 VanDerWaalsContact CG-NE2 3.35Å; E78-Q82 WeakPolarHBondContact O-CB 3.29Å; E78-Q82 PolarHBondContact O-N 2.94Å; E78-Q82 PolarHBondContact OE1-NE2 3.27Å; Q82-I84 VanDerWaalsContact C-N 3.28Å; Q82-I84 PolarHBondContact O-N 2.97Å; Q82-V85 HydrophobicContact CB-CB 4.17Å; Q82-V85 HydrophobicContact CB-CG2 3.89Å; Q82-V85 PolarHBondContact O-N 3.39Å; Q82-V85 VanDerWaalsContact O-N 3.15Å; Q82-G86 PolarHBondContact O-N 3.31Å | ||
| 83 | E | 92.7 | Very high | 94.7 | Very high | 142 Ų | 142 | 63 Ų | 63 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.9 | -35.9 | -178.7 | -69.2 | -173.3 | 169.5 | 0 | 0 | 113 | V85 G86 C87 F131 | E83-V85 VanDerWaalsContact C-N 3.31Å; E83-V85 PolarHBondContact O-N 3.14Å; E83-G86 PolarHBondContact O-N 2.88Å; E83-C87 VanDerWaalsContact O-CB 3.3Å; E83-C87 WeakPolarHBondContact O-CB 3.39Å; E83-C87 PolarHBondContact O-N 3.18Å; E83-F131 HydrophobicContact CB-CD1 4.15Å; E83-F131 HydrophobicContact CB-CE1 4.34Å; E83-F131 WeakPolarHBondContact O-CE1 3.38Å |
| 84 | I | 94.3 | Very high | 94.9 | Very high | 132 Ų | 132 | 59.3 Ų | 59.3 | 68% | 0.677 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 177.5 | -63.4 | 172.9 | 0 | 0 | 0 | 110.7 | Q82 C87 A88 | Q82-I84 VanDerWaalsContact C-N 3.28Å; Q82-I84 PolarHBondContact O-N 2.97Å; I84-C87 PolarHBondContact O-N 3.22Å; I84-A88 WeakPolarHBondContact O-CB 3.29Å; I84-A88 PolarHBondContact O-N 3.42Å |
| 85 | V | 96.5 | Very high | 95 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 26% | 0.261 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.1 | -41 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | E78 A79 Q82 E83 C87 A88 H89 | E78-V85 HydrophobicContact CB-CG1 4.39Å; E78-V85 HydrophobicContact CG-CB 4.28Å; E78-V85 HydrophobicContact CG-CG1 4.12Å; E78-V85 HydrophobicContact CG-CG2 3.98Å; A79-V85 HydrophobicContact CB-CG1 4.07Å; Q82-V85 HydrophobicContact CB-CB 4.17Å; Q82-V85 HydrophobicContact CB-CG2 3.89Å; Q82-V85 PolarHBondContact O-N 3.39Å; Q82-V85 VanDerWaalsContact O-N 3.15Å; E83-V85 VanDerWaalsContact C-N 3.31Å; E83-V85 PolarHBondContact O-N 3.14Å; V85-C87 PolarHBondContact O-N 3.49Å; V85-A88 PolarHBondContact O-N 3.26Å; V85-H89 WeakPolarHBondContact O-CB 3.49Å; V85-H89 PolarHBondContact O-N 3.47Å |
| 86 | G | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A79 Q82 E83 H89 L90 F131 | A79-G86 WeakPolarHBondContact O-CA 3.32Å; Q82-G86 PolarHBondContact O-N 3.31Å; E83-G86 PolarHBondContact O-N 2.88Å; G86-H89 PolarHBondContact O-N 2.9Å; G86-L90 PolarHBondContact O-N 3.04Å; G86-L90 VanDerWaalsContact O-N 3.08Å; G86-F131 VanDerWaalsContact C-CZ 3.5Å |
| 87 | C | 96.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 59.9 Ų | 59.9 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.3 | -52.8 | 176 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | E83 I84 V85 H89 L90 E91 F131 | E83-C87 VanDerWaalsContact O-CB 3.3Å; E83-C87 WeakPolarHBondContact O-CB 3.39Å; E83-C87 PolarHBondContact O-N 3.18Å; I84-C87 PolarHBondContact O-N 3.22Å; V85-C87 PolarHBondContact O-N 3.49Å; C87-H89 PolarHBondContact O-N 2.9Å; C87-L90 PolarHBondContact O-N 2.88Å; C87-L90 VanDerWaalsContact O-N 3.12Å; C87-E91 PolarHBondContact O-N 3.3Å; C87-F131 VanDerWaalsContact CA-CE2 3.46Å; C87-F131 HydrophobicContact CB-CB 4.13Å; C87-F131 HydrophobicContact CB-CD1 3.91Å; C87-F131 HydrophobicContact CB-CD2 3.61Å; C87-F131 HydrophobicContact CB-CE1 4.14Å; C87-F131 HydrophobicContact CB-CE2 3.9Å; C87-F131 HydrophobicContact CB-CG 3.62Å; C87-F131 HydrophobicContact CB-CZ 4.13Å |
| 88 | A | 96 | Very high | 95.7 | Very high | 39 Ų | 39 | 57.5 Ų | 57.5 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.3 | -36.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I84 V85 N92 | I84-A88 WeakPolarHBondContact O-CB 3.29Å; I84-A88 PolarHBondContact O-N 3.42Å; V85-A88 PolarHBondContact O-N 3.26Å; A88-N92 VanDerWaalsContact O-CB 3.27Å; A88-N92 WeakPolarHBondContact O-CB 3.47Å; A88-N92 VanDerWaalsContact O-CG 3.27Å; A88-N92 PolarHBondContact O-N 2.93Å; A88-N92 PolarHBondContact O-ND2 3.21Å |
| 89 | H | 97.2 | Very high | 95.7 | Very high | 63 Ų | 63 | 56.1 Ų | 56.1 | 29% | 0.292 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 175.5 | -173.2 | 77.6 | 0 | 0 | 0 | 111.5 | D31 A79 V85 G86 C87 Y93 | D31-H89 IonicContact OD1-NE2 3.94Å; D31-H89 PolarHBondContact OD1-NE2 2.91Å; D31-H89 IonicContact OD2-CD2 2.74Å; D31-H89 IonicContact OD2-CE1 3.85Å; D31-H89 PolarHBondContact OD2-CE1 3.18Å; D31-H89 IonicContact OD2-NE2 3.11Å; D31-H89 PolarHBondContact OD2-NE2 2.85Å; A79-H89 HydrophobicContact CB-CB 4.43Å; V85-H89 WeakPolarHBondContact O-CB 3.49Å; V85-H89 PolarHBondContact O-N 3.47Å; G86-H89 PolarHBondContact O-N 2.9Å; C87-H89 PolarHBondContact O-N 2.9Å; H89-Y93 VanDerWaalsContact O-CB 3.26Å; H89-Y93 WeakPolarHBondContact O-CB 3.32Å; H89-Y93 PolarHBondContact O-N 2.87Å |
| 90 | L | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -44.5 | 177.8 | -98.5 | 62.2 | 0 | 0 | 0 | 112.8 | V33 V34 Y37 G86 C87 Y93 A94 V127 I128 F131 | V33-L90 HydrophobicContact CG1-CD1 4.5Å; V34-L90 HydrophobicContact CG2-CD1 4.1Å; Y37-L90 VanDerWaalsContact CB-CD2 3.43Å; Y37-L90 HydrophobicContact CD2-CD1 3.6Å; Y37-L90 HydrophobicContact CD2-CD2 4.26Å; Y37-L90 HydrophobicContact CE2-CD1 4.44Å; Y37-L90 HydrophobicContact CG-CD1 4.13Å; Y37-L90 HydrophobicContact CG-CD2 3.95Å; G86-L90 PolarHBondContact O-N 3.04Å; G86-L90 VanDerWaalsContact O-N 3.08Å; C87-L90 PolarHBondContact O-N 2.88Å; C87-L90 VanDerWaalsContact O-N 3.12Å; L90-Y93 PolarHBondContact O-N 3.16Å; L90-A94 WeakPolarHBondContact O-CB 3.17Å; L90-A94 PolarHBondContact O-N 3.44Å; L90-V127 HydrophobicContact CD2-CB 4.37Å; L90-V127 HydrophobicContact CD2-CG1 3.53Å; L90-I128 HydrophobicContact CB-CD1 4.28Å; L90-I128 HydrophobicContact CB-CG1 3.8Å; L90-I128 HydrophobicContact CD2-CG1 4.37Å; L90-F131 HydrophobicContact CD2-CE2 3.95Å |
| 91 | E | 96.3 | Very high | 95.8 | Very high | 60 Ų | 60 | 59.6 Ų | 59.6 | 28% | 0.28 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 177.9 | -76 | -167 | 155.1 | 0 | 0 | 111.5 | C87 Y93 A94 L95 I128 N138 | C87-E91 PolarHBondContact O-N 3.3Å; E91-Y93 VanDerWaalsContact C-N 3.29Å; E91-Y93 PolarHBondContact O-N 3.06Å; E91-A94 PolarHBondContact O-N 2.85Å; E91-L95 VanDerWaalsContact O-CB 3.31Å; E91-L95 WeakPolarHBondContact O-CB 3.49Å; E91-L95 PolarHBondContact O-N 3.05Å; E91-I128 HydrophobicContact CB-CD1 4.34Å; E91-I128 HydrophobicContact CG-CD1 3.68Å; E91-I128 HydrophobicContact CG-CG1 4.21Å; E91-I128 HydrophobicContact CG-CG2 4.15Å; E91-N138 PolarHBondContact OE1-ND2 2.91Å |
| 92 | N | 96.5 | Very high | 95.8 | Very high | 89 Ų | 89 | 55.9 Ų | 55.9 | 48% | 0.476 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 178.2 | -75.8 | -51.3 | 0 | 0 | 0 | 112.1 | A88 K96 | A88-N92 VanDerWaalsContact O-CB 3.27Å; A88-N92 WeakPolarHBondContact O-CB 3.47Å; A88-N92 VanDerWaalsContact O-CG 3.27Å; A88-N92 PolarHBondContact O-N 2.93Å; A88-N92 PolarHBondContact O-ND2 3.21Å; N92-K96 WeakPolarHBondContact O-CB 3.47Å; N92-K96 VanDerWaalsContact O-CG 3.27Å; N92-K96 WeakPolarHBondContact O-CG 3.31Å; N92-K96 PolarHBondContact O-N 3.36Å |
| 93 | Y | 97.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 56 Ų | 56 | 24% | 0.235 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.7 | -43.3 | 178.1 | -170.3 | -113.3 | 0 | 0 | 0 | 112 | H27 V34 H89 L90 E91 K96 M97 L124 | H27-Y93 AromaticContact CD2-CE1 3.82Å; H27-Y93 AromaticContact NE2-CE1 3.31Å; H27-Y93 VanDerWaalsContact NE2-CE1 3.31Å; H27-Y93 WeakPolarHBondContact NE2-CE1 3.44Å; H27-Y93 AromaticContact NE2-CZ 3.56Å; H27-Y93 PolarHBondContact NE2-OH 3.3Å; V34-Y93 HydrophobicContact CG1-CD1 4.48Å; V34-Y93 HydrophobicContact CG1-CE1 4.47Å; V34-Y93 HydrophobicContact CG2-CD1 3.73Å; V34-Y93 HydrophobicContact CG2-CE1 4.19Å; V34-Y93 HydrophobicContact CG2-CG 4.27Å; H89-Y93 VanDerWaalsContact O-CB 3.26Å; H89-Y93 WeakPolarHBondContact O-CB 3.32Å; H89-Y93 PolarHBondContact O-N 2.87Å; L90-Y93 PolarHBondContact O-N 3.16Å; E91-Y93 VanDerWaalsContact C-N 3.29Å; E91-Y93 PolarHBondContact O-N 3.06Å; Y93-K96 PolarHBondContact O-N 3.06Å; Y93-M97 HydrophobicContact CD1-CE 3.67Å; Y93-M97 HydrophobicContact CE1-CE 3.37Å; Y93-M97 HydrophobicContact CE1-SD 4.1Å; Y93-M97 PolarHBondContact O-N 3.3Å; Y93-L124 HydrophobicContact CD1-CD1 3.44Å; Y93-L124 VanDerWaalsContact CD1-CD1 3.44Å; Y93-L124 HydrophobicContact CE1-CD1 3.94Å; Y93-L124 HydrophobicContact CG-CD1 4.48Å |
| 94 | A | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L90 E91 K96 M97 F98 L124 I125 I128 | L90-A94 WeakPolarHBondContact O-CB 3.17Å; L90-A94 PolarHBondContact O-N 3.44Å; E91-A94 PolarHBondContact O-N 2.85Å; A94-K96 PolarHBondContact O-N 3.33Å; A94-M97 PolarHBondContact O-N 2.85Å; A94-F98 WeakPolarHBondContact O-CB 3.32Å; A94-F98 PolarHBondContact O-N 2.97Å; A94-L124 HydrophobicContact CB-CB 3.8Å; A94-L124 HydrophobicContact CB-CD1 4.07Å; A94-I125 HydrophobicContact CB-CG1 4.32Å; A94-I128 HydrophobicContact CB-CD1 4.42Å |
| 95 | L | 95.5 | Very high | 96 | Very high | 67 Ų | 67 | 44.2 Ų | 44.2 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 178.2 | -177.4 | 62.1 | 0 | 0 | 0 | 112 | E91 M97 F98 L99 | E91-L95 VanDerWaalsContact O-CB 3.31Å; E91-L95 WeakPolarHBondContact O-CB 3.49Å; E91-L95 PolarHBondContact O-N 3.05Å; L95-M97 VanDerWaalsContact C-N 3.34Å; L95-M97 PolarHBondContact O-N 3.12Å; L95-F98 WeakPolarHBondContact O-CB 3.38Å; L95-F98 PolarHBondContact O-N 3.02Å; L95-L99 HydrophobicContact CD1-CD1 4.09Å; L95-L99 HydrophobicContact CD1-CD2 4.46Å; L95-L99 HydrophobicContact CD1-CG 3.98Å; L95-L99 HydrophobicContact CG-CD1 3.94Å; L95-L99 HydrophobicContact CG-CG 4.25Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 2.89Å |
| 96 | K | 96.1 | Very high | 95.8 | Very high | 144 Ų | 144 | 48.4 Ų | 48.4 | 63% | 0.626 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -59.3 | -43.7 | 175.5 | -78.5 | 171.2 | -176.7 | 171 | 0 | 112.3 | N92 Y93 A94 Y100 | N92-K96 WeakPolarHBondContact O-CB 3.47Å; N92-K96 VanDerWaalsContact O-CG 3.27Å; N92-K96 WeakPolarHBondContact O-CG 3.31Å; N92-K96 PolarHBondContact O-N 3.36Å; Y93-K96 PolarHBondContact O-N 3.06Å; A94-K96 PolarHBondContact O-N 3.33Å; K96-Y100 WeakPolarHBondContact O-CB 3.35Å; K96-Y100 PolarHBondContact O-N 3.27Å |
| 97 | M | 94.9 | Very high | 95.7 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 13% | 0.128 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 176.9 | -74.2 | -166.2 | -72.9 | 0 | 0 | 112.4 | Y93 A94 L95 A101 T120 A121 L124 | Y93-M97 HydrophobicContact CD1-CE 3.67Å; Y93-M97 HydrophobicContact CE1-CE 3.37Å; Y93-M97 HydrophobicContact CE1-SD 4.1Å; Y93-M97 PolarHBondContact O-N 3.3Å; A94-M97 PolarHBondContact O-N 2.85Å; L95-M97 VanDerWaalsContact C-N 3.34Å; L95-M97 PolarHBondContact O-N 3.12Å; M97-A101 PolarHBondContact O-N 3.16Å; M97-A101 VanDerWaalsContact O-N 3.11Å; M97-T120 HydrophobicContact CE-CG2 3.8Å; M97-T120 HydrophobicContact SD-CG2 4.03Å; M97-A121 HydrophobicContact CB-CB 4.19Å; M97-L124 HydrophobicContact CE-CD1 3.11Å; M97-L124 HydrophobicContact CE-CG 4.14Å |
| 98 | F | 96.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -53 | 174.7 | -178.2 | -85.7 | 0 | 0 | 0 | 111.2 | A94 L95 Y100 A101 D102 F118 A121 H141 Y144 A145 | A94-F98 WeakPolarHBondContact O-CB 3.32Å; A94-F98 PolarHBondContact O-N 2.97Å; L95-F98 WeakPolarHBondContact O-CB 3.38Å; L95-F98 PolarHBondContact O-N 3.02Å; F98-Y100 VanDerWaalsContact C-N 3.34Å; F98-Y100 PolarHBondContact O-N 3.32Å; F98-A101 PolarHBondContact O-N 3.06Å; F98-A101 VanDerWaalsContact O-N 3.1Å; F98-D102 HydrophobicContact CE1-CB 4.33Å; F98-D102 WeakPolarHBondContact O-CB 3.45Å; F98-D102 PolarHBondContact O-N 3.25Å; F98-F118 HydrophobicContact CD2-CD1 4.2Å; F98-F118 HydrophobicContact CD2-CE1 4.18Å; F98-F118 HydrophobicContact CE2-CD1 4.36Å; F98-F118 HydrophobicContact CE2-CE1 4.09Å; F98-F118 HydrophobicContact CZ-CE1 4.44Å; F98-A121 HydrophobicContact CB-CB 4.15Å; F98-H141 HydrophobicContact CD2-CB 4.19Å; F98-H141 AromaticContact CE1-CD2 3.52Å; F98-H141 AromaticContact CE1-NE2 3.66Å; F98-H141 HydrophobicContact CE2-CB 3.99Å; F98-H141 AromaticContact CE2-CD2 3.8Å; F98-H141 HydrophobicContact CZ-CB 4.43Å; F98-H141 AromaticContact CZ-CD2 3.35Å; F98-H141 WeakPolarHBondContact CZ-CD2 3.36Å; F98-H141 AromaticContact CZ-NE2 3.98Å; F98-Y144 AromaticContact CE2-CD1 3.62Å; F98-Y144 HydrophobicContact CE2-CD1 3.62Å; F98-Y144 HydrophobicContact CE2-CE1 4.37Å; F98-Y144 HydrophobicContact CE2-CG 4.49Å; F98-Y144 AromaticContact CZ-CD1 3.46Å; F98-Y144 HydrophobicContact CZ-CD1 3.46Å; F98-Y144 VanDerWaalsContact CZ-CD1 3.46Å; F98-Y144 AromaticContact CZ-CE1 3.93Å; F98-Y144 HydrophobicContact CZ-CE1 3.93Å; F98-Y144 HydrophobicContact CZ-CG 4.33Å; F98-A145 HydrophobicContact CD2-CB 3.9Å; F98-A145 HydrophobicContact CE2-CB 3.94Å |
| 99 | L | 95.4 | Very high | 95.4 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 41% | 0.408 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.2 | -35.4 | -178.7 | -68.7 | 176.3 | 0 | 0 | 0 | 112.5 | L95 D102 N103 | L95-L99 HydrophobicContact CD1-CD1 4.09Å; L95-L99 HydrophobicContact CD1-CD2 4.46Å; L95-L99 HydrophobicContact CD1-CG 3.98Å; L95-L99 HydrophobicContact CG-CD1 3.94Å; L95-L99 HydrophobicContact CG-CG 4.25Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 WeakPolarHBondContact O-CG 3.33Å; L95-L99 PolarHBondContact O-N 2.89Å; L99-D102 PolarHBondContact O-N 2.97Å; L99-N103 WeakPolarHBondContact O-CB 3.48Å; L99-N103 PolarHBondContact O-N 3.22Å; L99-N103 PolarHBondContact O-ND2 2.74Å; L99-N103 VanDerWaalsContact O-ND2 3.13Å |
| 100 | Y | 95.8 | Very high | 95.3 | Very high | 90 Ų | 90 | 54.3 Ų | 54.3 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.5 | -50.5 | 170.1 | 163.5 | -104.1 | 0 | 0 | 0 | 110.9 | K96 F98 N103 E104 H111 M114 S117 | K96-Y100 WeakPolarHBondContact O-CB 3.35Å; K96-Y100 PolarHBondContact O-N 3.27Å; F98-Y100 VanDerWaalsContact C-N 3.34Å; F98-Y100 PolarHBondContact O-N 3.32Å; Y100-N103 PolarHBondContact O-N 3.12Å; Y100-E104 HydrophobicContact CD2-CG 4.35Å; Y100-E104 HydrophobicContact CE2-CG 3.85Å; Y100-E104 WeakPolarHBondContact O-CG 3.37Å; Y100-E104 PolarHBondContact O-N 2.93Å; Y100-E104 VanDerWaalsContact O-N 3.11Å; Y100-H111 PolarHBondContact OH-CE1 3.42Å; Y100-M114 HydrophobicContact CE1-CB 4.39Å; Y100-S117 VanDerWaalsContact CD1-OG 3.32Å; Y100-S117 WeakPolarHBondContact CD1-OG 3.25Å; Y100-S117 WeakPolarHBondContact CE1-OG 3.36Å |
| 101 | A | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -37.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M97 F98 E104 D105 M114 F118 | M97-A101 PolarHBondContact O-N 3.16Å; M97-A101 VanDerWaalsContact O-N 3.11Å; F98-A101 PolarHBondContact O-N 3.06Å; F98-A101 VanDerWaalsContact O-N 3.1Å; A101-E104 PolarHBondContact O-N 3.11Å; A101-D105 WeakPolarHBondContact O-CB 3.37Å; A101-D105 PolarHBondContact O-N 3.46Å; A101-M114 HydrophobicContact CB-CB 4.3Å; A101-M114 WeakPolarHBondContact CB-O 3.46Å; A101-F118 VanDerWaalsContact C-CZ 3.5Å; A101-F118 HydrophobicContact CB-CB 4.3Å; A101-F118 HydrophobicContact CB-CD1 3.65Å; A101-F118 HydrophobicContact CB-CD2 3.51Å; A101-F118 HydrophobicContact CB-CE1 3.74Å; A101-F118 HydrophobicContact CB-CE2 3.61Å; A101-F118 HydrophobicContact CB-CG 3.51Å; A101-F118 HydrophobicContact CB-CZ 3.73Å |
| 102 | D | 94.4 | Very high | 95.2 | Very high | 11 Ų | 11 | 62.2 Ų | 62.2 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 176.2 | -166.8 | 55.2 | 0 | 0 | 0 | 111.9 | F98 L99 D105 R106 F118 Y144 | F98-D102 HydrophobicContact CE1-CB 4.33Å; F98-D102 WeakPolarHBondContact O-CB 3.45Å; F98-D102 PolarHBondContact O-N 3.25Å; L99-D102 PolarHBondContact O-N 2.97Å; D102-D105 PolarHBondContact O-N 3.09Å; D102-R106 WeakPolarHBondContact O-CB 3.46Å; D102-R106 VanDerWaalsContact O-CG 3.24Å; D102-R106 WeakPolarHBondContact O-CG 3.46Å; D102-R106 PolarHBondContact O-N 3.18Å; D102-R106 IonicContact OD1-NE 2.75Å; D102-R106 IonicContact OD1-NH2 3.16Å; D102-R106 IonicContact OD2-CZ 2.85Å; D102-R106 VanDerWaalsContact OD2-CZ 3.3Å; D102-R106 IonicContact OD2-NE 2.83Å; D102-R106 PolarHBondContact OD2-NE 3.38Å; D102-R106 IonicContact OD2-NH2 3.95Å; D102-R106 PolarHBondContact OD2-NH2 3.48Å; D102-F118 HydrophobicContact CB-CE1 4.42Å; D102-F118 HydrophobicContact CB-CZ 4.25Å; D102-Y144 PolarHBondContact OD1-OH 3.48Å |
| 103 | N | 94.5 | Very high | 95.1 | Very high | 95 Ų | 95 | 62.1 Ų | 62.1 | 51% | 0.508 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 174.1 | -75 | -29.8 | 0 | 0 | 0 | 112.5 | L99 Y100 A107 | L99-N103 WeakPolarHBondContact O-CB 3.48Å; L99-N103 PolarHBondContact O-N 3.22Å; L99-N103 PolarHBondContact O-ND2 2.74Å; L99-N103 VanDerWaalsContact O-ND2 3.13Å; Y100-N103 PolarHBondContact O-N 3.12Å; N103-A107 VanDerWaalsContact O-CB 3.31Å; N103-A107 WeakPolarHBondContact O-CB 3.34Å; N103-A107 PolarHBondContact O-N 3.4Å; N103-A107 VanDerWaalsContact O-N 3.1Å |
| 104 | E | 94.8 | Very high | 95.1 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 174.1 | -67.1 | -57.6 | 116.1 | 0 | 0 | 111.4 | Y100 A101 A107 G108 R109 H111 M114 | Y100-E104 HydrophobicContact CD2-CG 4.35Å; Y100-E104 HydrophobicContact CE2-CG 3.85Å; Y100-E104 WeakPolarHBondContact O-CG 3.37Å; Y100-E104 PolarHBondContact O-N 2.93Å; Y100-E104 VanDerWaalsContact O-N 3.11Å; A101-E104 PolarHBondContact O-N 3.11Å; E104-A107 CarbonylContact O-C 3.55Å; E104-A107 PolarHBondContact O-N 2.94Å; E104-G108 PolarHBondContact O-N 2.84Å; E104-R109 HydrophobicContact CB-CB 4.46Å; E104-R109 PolarHBondContact O-N 3.31Å; E104-R109 IonicContact OE1-CZ 2.71Å; E104-R109 IonicContact OE1-NE 3.45Å; E104-R109 PolarHBondContact OE1-NE 2.87Å; E104-R109 IonicContact OE1-NH2 3.32Å; E104-R109 PolarHBondContact OE1-NH2 3.11Å; E104-R109 VanDerWaalsContact OE2-CB 3.28Å; E104-R109 WeakPolarHBondContact OE2-CB 3.07Å; E104-R109 IonicContact OE2-CZ 3.6Å; E104-R109 IonicContact OE2-NE 3.59Å; E104-R109 PolarHBondContact OE2-NE 2.91Å; E104-R109 IonicContact OE2-NH2 3.37Å; E104-H111 IonicContact OE2-NE2 3.85Å; E104-H111 PolarHBondContact OE2-NE2 3.34Å; E104-M114 HydrophobicContact CB-CB 3.8Å; E104-M114 HydrophobicContact CB-CE 4.26Å; E104-M114 HydrophobicContact CB-CG 4.05Å; E104-M114 HydrophobicContact CG-CB 4.09Å |
| 105 | D | 94.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 176.7 | -179.7 | 83 | 0 | 0 | 0 | 111.9 | A101 D102 A107 G108 F110 M114 F118 K148 I152 A164 G165 | A101-D105 WeakPolarHBondContact O-CB 3.37Å; A101-D105 PolarHBondContact O-N 3.46Å; D102-D105 PolarHBondContact O-N 3.09Å; D105-A107 PolarHBondContact O-N 3.47Å; D105-G108 PolarHBondContact O-N 3.23Å; D105-F110 WeakPolarHBondContact OD1-CE1 3.36Å; D105-M114 HydrophobicContact CB-CE 3.68Å; D105-F118 HydrophobicContact CB-CE2 4.15Å; D105-F118 HydrophobicContact CB-CZ 4.35Å; D105-K148 IonicContact OD1-NZ 2.96Å; D105-K148 PolarHBondContact OD1-NZ 3.5Å; D105-K148 WeakPolarHBondContact OD2-CE 3.5Å; D105-K148 IonicContact OD2-NZ 2.72Å; D105-K148 PolarHBondContact OD2-NZ 3.23Å; D105-I152 WeakPolarHBondContact OD1-CD1 3.23Å; D105-A164 WeakPolarHBondContact O-CA 3.44Å; D105-A164 WeakPolarHBondContact O-CB 3.21Å; D105-G165 WeakPolarHBondContact OD2-CA 3.39Å; D105-G165 PolarHBondContact OD2-N 3.36Å |
| 106 | R | 92.8 | Very high | 95.1 | Very high | 131 Ų | 131 | 61.2 Ų | 61.2 | 49% | 0.494 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.8 | -32.2 | 176 | -73.3 | 173.9 | -169.6 | -87 | -5 | 112.8 | D102 G108 | D102-R106 WeakPolarHBondContact O-CB 3.46Å; D102-R106 VanDerWaalsContact O-CG 3.24Å; D102-R106 WeakPolarHBondContact O-CG 3.46Å; D102-R106 PolarHBondContact O-N 3.18Å; D102-R106 IonicContact OD1-NE 2.75Å; D102-R106 IonicContact OD1-NH2 3.16Å; D102-R106 IonicContact OD2-CZ 2.85Å; D102-R106 VanDerWaalsContact OD2-CZ 3.3Å; D102-R106 IonicContact OD2-NE 2.83Å; D102-R106 PolarHBondContact OD2-NE 3.38Å; D102-R106 IonicContact OD2-NH2 3.95Å; D102-R106 PolarHBondContact OD2-NH2 3.48Å; R106-G108 VanDerWaalsContact C-N 3.27Å |
| 107 | A | 93.8 | Very high | 95.1 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N103 E104 D105 R109 | N103-A107 VanDerWaalsContact O-CB 3.31Å; N103-A107 WeakPolarHBondContact O-CB 3.34Å; N103-A107 PolarHBondContact O-N 3.4Å; N103-A107 VanDerWaalsContact O-N 3.1Å; E104-A107 CarbonylContact O-C 3.55Å; E104-A107 PolarHBondContact O-N 2.94Å; D105-A107 PolarHBondContact O-N 3.47Å; A107-R109 HydrophobicContact CB-CG 4.36Å; A107-R109 VanDerWaalsContact CB-CZ 3.49Å; A107-R109 PolarHBondContact O-N 3.38Å |
| 108 | G | 93.5 | Very high | 95.3 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 19.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E104 D105 R106 F110 | E104-G108 PolarHBondContact O-N 2.84Å; D105-G108 PolarHBondContact O-N 3.23Å; R106-G108 VanDerWaalsContact C-N 3.27Å; G108-F110 WeakPolarHBondContact O-CD2 3.3Å; G108-F110 PolarHBondContact O-N 2.98Å |
| 109 | R | 93.4 | Very high | 95.3 | Very high | 126 Ų | 126 | 57.3 Ų | 57.3 | 48% | 0.475 | 28% | 0.275 | S | S | . | . | trans | -93.3 | 85.5 | -179.2 | -68.4 | -166.4 | -62.6 | -87.5 | -3.7 | 110.6 | E104 A107 | E104-R109 HydrophobicContact CB-CB 4.46Å; E104-R109 PolarHBondContact O-N 3.31Å; E104-R109 IonicContact OE1-CZ 2.71Å; E104-R109 IonicContact OE1-NE 3.45Å; E104-R109 PolarHBondContact OE1-NE 2.87Å; E104-R109 IonicContact OE1-NH2 3.32Å; E104-R109 PolarHBondContact OE1-NH2 3.11Å; E104-R109 VanDerWaalsContact OE2-CB 3.28Å; E104-R109 WeakPolarHBondContact OE2-CB 3.07Å; E104-R109 IonicContact OE2-CZ 3.6Å; E104-R109 IonicContact OE2-NE 3.59Å; E104-R109 PolarHBondContact OE2-NE 2.91Å; E104-R109 IonicContact OE2-NH2 3.37Å; A107-R109 HydrophobicContact CB-CG 4.36Å; A107-R109 VanDerWaalsContact CB-CZ 3.49Å; A107-R109 PolarHBondContact O-N 3.38Å | ||
| 110 | F | 95.1 | Very high | 95.4 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 17% | 0.171 | 26% | 0.261 | C | S | . | . | trans | -90.2 | 116 | -178.1 | -53.3 | -64.1 | 0 | 0 | 0 | 112 | D105 G108 M114 I152 L156 T161 P162 A164 | D105-F110 WeakPolarHBondContact OD1-CE1 3.36Å; G108-F110 WeakPolarHBondContact O-CD2 3.3Å; G108-F110 PolarHBondContact O-N 2.98Å; F110-M114 HydrophobicContact CD1-CE 4.19Å; F110-I152 HydrophobicContact CB-CG2 4.11Å; F110-I152 HydrophobicContact CD1-CD1 4.06Å; F110-I152 HydrophobicContact CD1-CG1 4.29Å; F110-I152 HydrophobicContact CD1-CG2 3.81Å; F110-I152 HydrophobicContact CE1-CD1 4.18Å; F110-I152 HydrophobicContact CE1-CG1 4.42Å; F110-I152 HydrophobicContact CG-CG2 4.27Å; F110-L156 HydrophobicContact CB-CD1 4.21Å; F110-L156 HydrophobicContact CB-CD2 4.04Å; F110-L156 HydrophobicContact CB-CG 4.46Å; F110-T161 HydrophobicContact CE2-CG2 4.4Å; F110-P162 HydrophobicContact CB-CG 4.29Å; F110-P162 HydrophobicContact CD1-CB 4.13Å; F110-P162 HydrophobicContact CD1-CG 3.85Å; F110-P162 HydrophobicContact CD2-CB 4.3Å; F110-P162 HydrophobicContact CD2-CG 3.75Å; F110-P162 HydrophobicContact CE1-CB 3.83Å; F110-P162 HydrophobicContact CE1-CG 4.06Å; F110-P162 HydrophobicContact CE2-CB 4Å; F110-P162 HydrophobicContact CE2-CG 3.96Å; F110-P162 VanDerWaalsContact CE2-O 3.23Å; F110-P162 WeakPolarHBondContact CE2-O 3.3Å; F110-P162 HydrophobicContact CG-CB 4.35Å; F110-P162 HydrophobicContact CG-CG 3.68Å; F110-P162 HydrophobicContact CZ-CB 3.75Å; F110-P162 HydrophobicContact CZ-CG 4.1Å; F110-P162 VanDerWaalsContact CZ-O 3.29Å; F110-P162 WeakPolarHBondContact CZ-O 3.39Å; F110-A164 HydrophobicContact CZ-CB 4.16Å | ||
| 111 | H | 95 | Very high | 95.5 | Very high | 62 Ų | 62 | 50.1 Ų | 50.1 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | trans | -154.7 | 167.1 | 178 | 58.2 | 53.1 | 0 | 0 | 0 | 112.1 | Y100 E104 N113 M114 I115 | Y100-H111 PolarHBondContact OH-CE1 3.42Å; E104-H111 IonicContact OE2-NE2 3.85Å; E104-H111 PolarHBondContact OE2-NE2 3.34Å; H111-N113 PolarHBondContact ND1-N 2.89Å; H111-N113 PolarHBondContact O-N 3.42Å; H111-N113 VanDerWaalsContact O-N 3.09Å; H111-M114 PolarHBondContact CE1-N 2.75Å; H111-M114 VanDerWaalsContact CE1-N 3.32Å; H111-M114 PolarHBondContact ND1-N 2.88Å; H111-M114 VanDerWaalsContact ND1-N 3.19Å; H111-M114 VanDerWaalsContact O-CG 3.31Å; H111-M114 WeakPolarHBondContact O-CG 3.34Å; H111-M114 PolarHBondContact O-N 3.29Å; H111-I115 PolarHBondContact O-N 3.43Å | ||
| 112 | K | 95.8 | Very high | 95.6 | Very high | 165 Ų | 165 | 50.1 Ų | 50.1 | 72% | 0.717 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -55.6 | -34.2 | -175.6 | -65.7 | -177.9 | -179.7 | 177.6 | 0 | 114.2 | K116 | K112-K116 WeakPolarHBondContact O-CB 3.31Å; K112-K116 VanDerWaalsContact O-CG 3.3Å; K112-K116 WeakPolarHBondContact O-CG 3.4Å; K112-K116 PolarHBondContact O-N 3.48Å |
| 113 | N | 95.8 | Very high | 95.8 | Very high | 87 Ų | 87 | 49.8 Ų | 49.8 | 47% | 0.465 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.3 | -45.9 | -178 | -66.2 | -16.6 | 0 | 0 | 0 | 112.7 | H111 I115 K116 S117 | H111-N113 PolarHBondContact ND1-N 2.89Å; H111-N113 PolarHBondContact O-N 3.42Å; H111-N113 VanDerWaalsContact O-N 3.09Å; N113-I115 PolarHBondContact O-N 3.34Å; N113-K116 WeakPolarHBondContact O-CB 3.23Å; N113-K116 PolarHBondContact O-N 2.8Å; N113-S117 PolarHBondContact O-N 3.27Å; N113-S117 PolarHBondContact O-OG 3.45Å; N113-S117 VanDerWaalsContact O-OG 3.13Å |
| 114 | M | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.2 | -35.4 | 178.7 | 65.3 | 78.9 | 75.8 | 0 | 0 | 112.3 | Y100 A101 E104 D105 F110 H111 K116 S117 F118 I152 | Y100-M114 HydrophobicContact CE1-CB 4.39Å; A101-M114 HydrophobicContact CB-CB 4.3Å; A101-M114 WeakPolarHBondContact CB-O 3.46Å; E104-M114 HydrophobicContact CB-CB 3.8Å; E104-M114 HydrophobicContact CB-CE 4.26Å; E104-M114 HydrophobicContact CB-CG 4.05Å; E104-M114 HydrophobicContact CG-CB 4.09Å; D105-M114 HydrophobicContact CB-CE 3.68Å; F110-M114 HydrophobicContact CD1-CE 4.19Å; H111-M114 PolarHBondContact CE1-N 2.75Å; H111-M114 VanDerWaalsContact CE1-N 3.32Å; H111-M114 PolarHBondContact ND1-N 2.88Å; H111-M114 VanDerWaalsContact ND1-N 3.19Å; H111-M114 VanDerWaalsContact O-CG 3.31Å; H111-M114 WeakPolarHBondContact O-CG 3.34Å; H111-M114 PolarHBondContact O-N 3.29Å; M114-K116 PolarHBondContact O-N 2.87Å; M114-S117 PolarHBondContact O-N 3.38Å; M114-F118 HydrophobicContact CE-CD2 4.29Å; M114-F118 HydrophobicContact CE-CE2 3.89Å; M114-F118 PolarHBondContact O-N 3.12Å; M114-I152 HydrophobicContact CE-CD1 3.54Å; M114-I152 HydrophobicContact SD-CD1 3.82Å; M114-I152 HydrophobicContact SD-CG2 4.08Å |
| 115 | I | 97.1 | Very high | 96.1 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -48.7 | 171.4 | -63.3 | 169.2 | 0 | 0 | 0 | 110.4 | H111 N113 S117 F118 Y119 A149 I152 H153 L156 | H111-I115 PolarHBondContact O-N 3.43Å; N113-I115 PolarHBondContact O-N 3.34Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 3.49Å; I115-F118 PolarHBondContact O-N 3.03Å; I115-Y119 WeakPolarHBondContact O-CB 3.33Å; I115-Y119 PolarHBondContact O-N 3.08Å; I115-A149 HydrophobicContact CG2-CB 4.4Å; I115-I152 HydrophobicContact CD1-CB 4.48Å; I115-I152 HydrophobicContact CD1-CG2 3.83Å; I115-I152 HydrophobicContact CG1-CB 4.17Å; I115-I152 HydrophobicContact CG1-CG2 3.7Å; I115-H153 HydrophobicContact CD1-CB 4.29Å; I115-H153 HydrophobicContact CG2-CB 4.15Å; I115-L156 HydrophobicContact CD1-CD1 3.83Å |
| 116 | K | 96.5 | Very high | 96.3 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 40% | 0.4 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.4 | -40.5 | 176.6 | -76.3 | -179.5 | 178.3 | -169.5 | 0 | 111.5 | K112 N113 M114 Y119 T120 | K112-K116 WeakPolarHBondContact O-CB 3.31Å; K112-K116 VanDerWaalsContact O-CG 3.3Å; K112-K116 WeakPolarHBondContact O-CG 3.4Å; K112-K116 PolarHBondContact O-N 3.48Å; N113-K116 WeakPolarHBondContact O-CB 3.23Å; N113-K116 PolarHBondContact O-N 2.8Å; M114-K116 PolarHBondContact O-N 2.87Å; K116-Y119 PolarHBondContact O-N 3.16Å; K116-T120 VanDerWaalsContact O-CB 3.3Å; K116-T120 WeakPolarHBondContact O-CB 3.48Å; K116-T120 PolarHBondContact O-N 3.18Å; K116-T120 PolarHBondContact O-OG1 2.98Å |
| 117 | S | 96.6 | Very high | 96.5 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 15% | 0.147 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 178.1 | -68.1 | 0 | 0 | 0 | 0 | 112.5 | Y100 N113 M114 I115 A121 | Y100-S117 VanDerWaalsContact CD1-OG 3.32Å; Y100-S117 WeakPolarHBondContact CD1-OG 3.25Å; Y100-S117 WeakPolarHBondContact CE1-OG 3.36Å; N113-S117 PolarHBondContact O-N 3.27Å; N113-S117 PolarHBondContact O-OG 3.45Å; N113-S117 VanDerWaalsContact O-OG 3.13Å; M114-S117 PolarHBondContact O-N 3.38Å; I115-S117 VanDerWaalsContact C-N 3.31Å; I115-S117 PolarHBondContact O-N 3.49Å; S117-A121 WeakPolarHBondContact O-CB 3.27Å; S117-A121 PolarHBondContact O-N 2.89Å |
| 118 | F | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -48.7 | 171.6 | -86.8 | -49 | 0 | 0 | 0 | 111.6 | F98 A101 D102 D105 M114 I115 A121 S122 Y144 A145 K148 A149 I152 | F98-F118 HydrophobicContact CD2-CD1 4.2Å; F98-F118 HydrophobicContact CD2-CE1 4.18Å; F98-F118 HydrophobicContact CE2-CD1 4.36Å; F98-F118 HydrophobicContact CE2-CE1 4.09Å; F98-F118 HydrophobicContact CZ-CE1 4.44Å; A101-F118 VanDerWaalsContact C-CZ 3.5Å; A101-F118 HydrophobicContact CB-CB 4.3Å; A101-F118 HydrophobicContact CB-CD1 3.65Å; A101-F118 HydrophobicContact CB-CD2 3.51Å; A101-F118 HydrophobicContact CB-CE1 3.74Å; A101-F118 HydrophobicContact CB-CE2 3.61Å; A101-F118 HydrophobicContact CB-CG 3.51Å; A101-F118 HydrophobicContact CB-CZ 3.73Å; D102-F118 HydrophobicContact CB-CE1 4.42Å; D102-F118 HydrophobicContact CB-CZ 4.25Å; D105-F118 HydrophobicContact CB-CE2 4.15Å; D105-F118 HydrophobicContact CB-CZ 4.35Å; M114-F118 HydrophobicContact CE-CD2 4.29Å; M114-F118 HydrophobicContact CE-CE2 3.89Å; M114-F118 PolarHBondContact O-N 3.12Å; I115-F118 PolarHBondContact O-N 3.03Å; F118-A121 PolarHBondContact O-N 3.49Å; F118-S122 PolarHBondContact O-N 2.9Å; F118-Y144 HydrophobicContact CE1-CD1 4.13Å; F118-Y144 AromaticContact CE1-CE1 3.87Å; F118-Y144 HydrophobicContact CE1-CE1 3.87Å; F118-Y144 AromaticContact CZ-CE1 3.93Å; F118-Y144 HydrophobicContact CZ-CE1 3.93Å; F118-A145 HydrophobicContact CB-CB 4.34Å; F118-A145 HydrophobicContact CD1-CB 3.88Å; F118-A145 WeakPolarHBondContact O-CB 3.11Å; F118-K148 HydrophobicContact CD2-CB 3.84Å; F118-K148 HydrophobicContact CE2-CB 3.81Å; F118-K148 HydrophobicContact CE2-CG 4.26Å; F118-K148 HydrophobicContact CG-CB 4.25Å; F118-K148 HydrophobicContact CZ-CB 4.17Å; F118-K148 HydrophobicContact CZ-CG 4.29Å; F118-A149 HydrophobicContact CB-CB 3.9Å; F118-I152 HydrophobicContact CE2-CD1 4.32Å |
| 119 | Y | 97.7 | Very high | 96.9 | Very high | 78 Ų | 78 | 37.2 Ų | 37.2 | 31% | 0.306 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.7 | -49.2 | -179 | -173.9 | -115.4 | 0 | 0 | 0 | 111.9 | H19 I115 K116 A121 S122 L123 | H19-Y119 HydrophobicContact CB-CE1 4.3Å; H19-Y119 PolarHBondContact CD2-OH 3.2Å; H19-Y119 AromaticContact ND1-CE1 3.99Å; I115-Y119 WeakPolarHBondContact O-CB 3.33Å; I115-Y119 PolarHBondContact O-N 3.08Å; K116-Y119 PolarHBondContact O-N 3.16Å; Y119-A121 PolarHBondContact O-N 2.89Å; Y119-S122 WeakPolarHBondContact O-CB 3.41Å; Y119-S122 PolarHBondContact O-N 3.08Å; Y119-S122 VanDerWaalsContact O-N 3.15Å; Y119-S122 PolarHBondContact O-OG 3.16Å; Y119-L123 HydrophobicContact CD1-CD1 3.98Å; Y119-L123 HydrophobicContact CE1-CD1 3.64Å; Y119-L123 HydrophobicContact CE1-CG 4.28Å; Y119-L123 WeakPolarHBondContact O-CG 3.4Å; Y119-L123 PolarHBondContact O-N 3.28Å |
| 120 | T | 97.5 | Very high | 97 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 10% | 0.104 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.4 | -38.5 | 178.3 | -59.3 | 0 | 0 | 0 | 0 | 112 | T23 M97 K116 S122 L123 L124 | T23-T120 HydrophobicContact CG2-CG2 3.84Å; M97-T120 HydrophobicContact CE-CG2 3.8Å; M97-T120 HydrophobicContact SD-CG2 4.03Å; K116-T120 VanDerWaalsContact O-CB 3.3Å; K116-T120 WeakPolarHBondContact O-CB 3.48Å; K116-T120 PolarHBondContact O-N 3.18Å; K116-T120 PolarHBondContact O-OG1 2.98Å; T120-S122 VanDerWaalsContact C-N 3.28Å; T120-S122 PolarHBondContact O-N 2.81Å; T120-L123 PolarHBondContact O-N 3.25Å; T120-L124 WeakPolarHBondContact O-CG 3.27Å; T120-L124 PolarHBondContact O-N 2.7Å |
| 121 | A | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M97 F98 S117 F118 Y119 L123 L124 I125 | M97-A121 HydrophobicContact CB-CB 4.19Å; F98-A121 HydrophobicContact CB-CB 4.15Å; S117-A121 WeakPolarHBondContact O-CB 3.27Å; S117-A121 PolarHBondContact O-N 2.89Å; F118-A121 PolarHBondContact O-N 3.49Å; Y119-A121 PolarHBondContact O-N 2.89Å; A121-L123 PolarHBondContact O-N 2.85Å; A121-L124 PolarHBondContact O-N 3.38Å; A121-I125 WeakPolarHBondContact O-CG1 3.31Å; A121-I125 PolarHBondContact O-N 3.39Å |
| 122 | S | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.1 | -38.1 | 176.4 | 79.2 | 0 | 0 | 0 | 0 | 113.5 | F118 Y119 T120 I125 D126 R146 | F118-S122 PolarHBondContact O-N 2.9Å; Y119-S122 WeakPolarHBondContact O-CB 3.41Å; Y119-S122 PolarHBondContact O-N 3.08Å; Y119-S122 VanDerWaalsContact O-N 3.15Å; Y119-S122 PolarHBondContact O-OG 3.16Å; T120-S122 VanDerWaalsContact C-N 3.28Å; T120-S122 PolarHBondContact O-N 2.81Å; S122-I125 PolarHBondContact O-N 3.11Å; S122-D126 PolarHBondContact O-N 3.26Å; S122-D126 VanDerWaalsContact O-N 3.12Å; S122-R146 WeakPolarHBondContact OG-CG 3.45Å |
| 123 | L | 97.9 | Very high | 97 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -38.3 | 175.3 | -64.1 | 175.6 | 0 | 0 | 0 | 111.5 | H19 Y119 T120 A121 I125 D126 V127 | H19-L123 HydrophobicContact CB-CD1 3.85Å; H19-L123 HydrophobicContact CB-CD2 4.14Å; Y119-L123 HydrophobicContact CD1-CD1 3.98Å; Y119-L123 HydrophobicContact CE1-CD1 3.64Å; Y119-L123 HydrophobicContact CE1-CG 4.28Å; Y119-L123 WeakPolarHBondContact O-CG 3.4Å; Y119-L123 PolarHBondContact O-N 3.28Å; T120-L123 PolarHBondContact O-N 3.25Å; A121-L123 PolarHBondContact O-N 2.85Å; L123-I125 VanDerWaalsContact C-N 3.31Å; L123-I125 PolarHBondContact O-N 2.9Å; L123-D126 WeakPolarHBondContact O-CB 3.27Å; L123-D126 PolarHBondContact O-N 3.34Å; L123-V127 WeakPolarHBondContact O-CG2 3.49Å; L123-V127 PolarHBondContact O-N 3.06Å |
| 124 | L | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.4 | -34.3 | 175.4 | -71.5 | -175.4 | 0 | 0 | 0 | 112.4 | T23 V34 Y93 A94 M97 T120 A121 D126 V127 I128 | T23-L124 HydrophobicContact CG2-CD2 4.23Å; V34-L124 HydrophobicContact CG1-CD2 3.69Å; Y93-L124 HydrophobicContact CD1-CD1 3.44Å; Y93-L124 VanDerWaalsContact CD1-CD1 3.44Å; Y93-L124 HydrophobicContact CE1-CD1 3.94Å; Y93-L124 HydrophobicContact CG-CD1 4.48Å; A94-L124 HydrophobicContact CB-CB 3.8Å; A94-L124 HydrophobicContact CB-CD1 4.07Å; M97-L124 HydrophobicContact CE-CD1 3.11Å; M97-L124 HydrophobicContact CE-CG 4.14Å; T120-L124 WeakPolarHBondContact O-CG 3.27Å; T120-L124 PolarHBondContact O-N 2.7Å; A121-L124 PolarHBondContact O-N 3.38Å; L124-D126 VanDerWaalsContact C-N 3.32Å; L124-V127 CarbonylContact O-C 3.59Å; L124-V127 WeakPolarHBondContact O-CA 3.1Å; L124-V127 WeakPolarHBondContact O-CB 3.43Å; L124-V127 PolarHBondContact O-N 3.29Å; L124-V127 VanDerWaalsContact O-N 3.09Å; L124-I128 WeakPolarHBondContact O-CD1 3.37Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.5Å; L124-I128 PolarHBondContact O-N 3.11Å |
| 125 | I | 97.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.5 | -37.2 | 172.8 | -62.3 | 164.5 | 0 | 0 | 0 | 111 | A94 A121 S122 L123 V127 I128 L134 N138 H141 R142 | A94-I125 HydrophobicContact CB-CG1 4.32Å; A121-I125 WeakPolarHBondContact O-CG1 3.31Å; A121-I125 PolarHBondContact O-N 3.39Å; S122-I125 PolarHBondContact O-N 3.11Å; L123-I125 VanDerWaalsContact C-N 3.31Å; L123-I125 PolarHBondContact O-N 2.9Å; I125-V127 VanDerWaalsContact C-N 3.3Å; I125-V127 PolarHBondContact O-N 3.07Å; I125-I128 HydrophobicContact CG1-CD1 4.47Å; I125-I128 PolarHBondContact O-N 3.17Å; I125-L134 HydrophobicContact CG2-CD1 3.76Å; I125-L134 HydrophobicContact CG2-CD2 4.14Å; I125-N138 HydrophobicContact CG2-CB 3.93Å; I125-H141 HydrophobicContact CD1-CB 3.85Å; I125-R142 HydrophobicContact CB-CB 4.13Å; I125-R142 HydrophobicContact CB-CG 4.39Å; I125-R142 HydrophobicContact CD1-CB 3.99Å; I125-R142 HydrophobicContact CG2-CB 3.83Å; I125-R142 HydrophobicContact CG2-CG 4.31Å |
| 126 | D | 97.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 168.5 | -67.2 | -24.1 | 0 | 0 | 0 | 111.1 | H20 Y41 S122 L123 L124 I128 T129 R142 R146 | H20-D126 IonicContact NE2-OD2 3.74Å; H20-D126 PolarHBondContact NE2-OD2 3.3Å; Y41-D126 VanDerWaalsContact CD2-O 3.32Å; Y41-D126 WeakPolarHBondContact CD2-O 3.38Å; Y41-D126 HydrophobicContact CE2-CB 4.31Å; Y41-D126 WeakPolarHBondContact CE2-O 3.37Å; S122-D126 PolarHBondContact O-N 3.26Å; S122-D126 VanDerWaalsContact O-N 3.12Å; L123-D126 WeakPolarHBondContact O-CB 3.27Å; L123-D126 PolarHBondContact O-N 3.34Å; L124-D126 VanDerWaalsContact C-N 3.32Å; D126-I128 VanDerWaalsContact C-N 3.31Å; D126-I128 PolarHBondContact O-N 3.42Å; D126-T129 VanDerWaalsContact O-CB 3.3Å; D126-T129 WeakPolarHBondContact O-CB 3.43Å; D126-T129 VanDerWaalsContact O-CG2 3.24Å; D126-T129 WeakPolarHBondContact O-CG2 3.24Å; D126-T129 PolarHBondContact O-N 3.42Å; D126-T129 VanDerWaalsContact O-N 3.16Å; D126-T129 PolarHBondContact O-OG1 3.48Å; D126-R142 WeakPolarHBondContact OD1-CD 3.38Å; D126-R142 IonicContact OD1-CZ 2.63Å; D126-R142 IonicContact OD1-NE 3.79Å; D126-R142 IonicContact OD1-NH1 3.9Å; D126-R142 PolarHBondContact OD1-NH1 3.19Å; D126-R146 IonicContact OD1-NH1 3.55Å; D126-R146 PolarHBondContact OD1-NH1 3.4Å; D126-R146 IonicContact OD2-CZ 2.93Å; D126-R146 IonicContact OD2-NH1 3.42Å; D126-R146 PolarHBondContact OD2-NH1 2.84Å; D126-R146 IonicContact OD2-NH2 3.85Å; D126-R146 PolarHBondContact OD2-NH2 2.83Å |
| 127 | V | 98.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -35.7 | 178.3 | 175.4 | 0 | 0 | 0 | 0 | 112 | Y37 C38 Y41 L90 L123 L124 I125 T129 V130 | Y37-V127 VanDerWaalsContact C-CG1 3.47Å; Y37-V127 WeakPolarHBondContact O-CG1 3.41Å; C38-V127 HydrophobicContact CB-CG2 4.35Å; Y41-V127 HydrophobicContact CD1-CG2 4.06Å; Y41-V127 HydrophobicContact CG-CB 4.38Å; Y41-V127 HydrophobicContact CG-CG2 4Å; L90-V127 HydrophobicContact CD2-CB 4.37Å; L90-V127 HydrophobicContact CD2-CG1 3.53Å; L123-V127 WeakPolarHBondContact O-CG2 3.49Å; L123-V127 PolarHBondContact O-N 3.06Å; L124-V127 CarbonylContact O-C 3.59Å; L124-V127 WeakPolarHBondContact O-CA 3.1Å; L124-V127 WeakPolarHBondContact O-CB 3.43Å; L124-V127 PolarHBondContact O-N 3.29Å; L124-V127 VanDerWaalsContact O-N 3.09Å; I125-V127 VanDerWaalsContact C-N 3.3Å; I125-V127 PolarHBondContact O-N 3.07Å; V127-T129 PolarHBondContact O-N 3.18Å; V127-T129 VanDerWaalsContact O-N 3.11Å; V127-V130 WeakPolarHBondContact O-CG1 3.48Å; V127-V130 WeakPolarHBondContact O-CG2 3.34Å; V127-V130 PolarHBondContact O-N 3.3Å; V127-V130 VanDerWaalsContact O-N 3.13Å |
| 128 | I | 97.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -22.9 | 178.1 | -71.2 | 154.6 | 0 | 0 | 0 | 112.1 | L90 E91 A94 L124 I125 D126 V130 F131 L134 | L90-I128 HydrophobicContact CB-CD1 4.28Å; L90-I128 HydrophobicContact CB-CG1 3.8Å; L90-I128 HydrophobicContact CD2-CG1 4.37Å; E91-I128 HydrophobicContact CB-CD1 4.34Å; E91-I128 HydrophobicContact CG-CD1 3.68Å; E91-I128 HydrophobicContact CG-CG1 4.21Å; E91-I128 HydrophobicContact CG-CG2 4.15Å; A94-I128 HydrophobicContact CB-CD1 4.42Å; L124-I128 WeakPolarHBondContact O-CD1 3.37Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.5Å; L124-I128 PolarHBondContact O-N 3.11Å; I125-I128 HydrophobicContact CG1-CD1 4.47Å; I125-I128 PolarHBondContact O-N 3.17Å; D126-I128 VanDerWaalsContact C-N 3.31Å; D126-I128 PolarHBondContact O-N 3.42Å; I128-V130 PolarHBondContact O-N 2.94Å; I128-F131 HydrophobicContact CG2-CD2 4.4Å; I128-F131 WeakPolarHBondContact O-CD2 3.43Å; I128-F131 PolarHBondContact O-N 3.42Å; I128-L134 HydrophobicContact CB-CD2 4.13Å; I128-L134 HydrophobicContact CG2-CD2 3.84Å |
| 129 | T | 97.3 | Very high | 96.3 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -59.7 | -16.2 | 175.6 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | Y41 D126 V127 F131 G132 L134 | Y41-T129 WeakPolarHBondContact CE2-OG1 3.46Å; D126-T129 VanDerWaalsContact O-CB 3.3Å; D126-T129 WeakPolarHBondContact O-CB 3.43Å; D126-T129 VanDerWaalsContact O-CG2 3.24Å; D126-T129 WeakPolarHBondContact O-CG2 3.24Å; D126-T129 PolarHBondContact O-N 3.42Å; D126-T129 VanDerWaalsContact O-N 3.16Å; D126-T129 PolarHBondContact O-OG1 3.48Å; V127-T129 PolarHBondContact O-N 3.18Å; V127-T129 VanDerWaalsContact O-N 3.11Å; T129-F131 PolarHBondContact O-N 2.79Å; T129-G132 WeakPolarHBondContact CA-O 3.46Å; T129-G132 PolarHBondContact O-N 3.25Å; T129-L134 HydrophobicContact CG2-CD1 3.93Å; T129-L134 HydrophobicContact CG2-CD2 3.83Å; T129-L134 HydrophobicContact CG2-CG 3.85Å |
| 130 | V | 96.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 45 Ų | 45 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -63.5 | -23.3 | 172.9 | -59.4 | 0 | 0 | 0 | 0 | 113 | Y37 Y41 V127 I128 | Y37-V130 HydrophobicContact CD1-CG2 4.24Å; Y41-V130 HydrophobicContact CD2-CG1 3.98Å; Y41-V130 HydrophobicContact CG-CG1 4.29Å; V127-V130 WeakPolarHBondContact O-CG1 3.48Å; V127-V130 WeakPolarHBondContact O-CG2 3.34Å; V127-V130 PolarHBondContact O-N 3.3Å; V127-V130 VanDerWaalsContact O-N 3.13Å; I128-V130 PolarHBondContact O-N 2.94Å |
| 131 | F | 95.9 | Very high | 96.1 | Very high | 48 Ų | 48 | 45.6 Ų | 45.6 | 21% | 0.211 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -90.6 | -10.1 | 178.9 | -56 | -73 | 0 | 0 | 0 | 113 | Y37 E83 G86 C87 L90 I128 T129 | Y37-F131 AromaticContact CD1-CE1 3.97Å; Y37-F131 HydrophobicContact CD1-CE1 3.97Å; Y37-F131 HydrophobicContact CD1-CE2 4.21Å; Y37-F131 AromaticContact CD1-CZ 3.41Å; Y37-F131 HydrophobicContact CD1-CZ 3.41Å; Y37-F131 VanDerWaalsContact CD1-CZ 3.41Å; Y37-F131 HydrophobicContact CD2-CZ 4.14Å; Y37-F131 AromaticContact CE1-CE1 3.35Å; Y37-F131 HydrophobicContact CE1-CE1 3.35Å; Y37-F131 HydrophobicContact CE1-CE2 4.37Å; Y37-F131 AromaticContact CE1-CZ 3.21Å; Y37-F131 HydrophobicContact CE1-CZ 3.21Å; Y37-F131 AromaticContact CE2-CZ 3.95Å; Y37-F131 HydrophobicContact CE2-CZ 3.95Å; Y37-F131 AromaticContact CG-CZ 3.9Å; Y37-F131 HydrophobicContact CG-CZ 3.9Å; Y37-F131 AromaticContact CZ-CE1 3.68Å; Y37-F131 AromaticContact CZ-CZ 3.49Å; Y37-F131 VanDerWaalsContact CZ-CZ 3.49Å; E83-F131 HydrophobicContact CB-CD1 4.15Å; E83-F131 HydrophobicContact CB-CE1 4.34Å; E83-F131 WeakPolarHBondContact O-CE1 3.38Å; G86-F131 VanDerWaalsContact C-CZ 3.5Å; C87-F131 VanDerWaalsContact CA-CE2 3.46Å; C87-F131 HydrophobicContact CB-CB 4.13Å; C87-F131 HydrophobicContact CB-CD1 3.91Å; C87-F131 HydrophobicContact CB-CD2 3.61Å; C87-F131 HydrophobicContact CB-CE1 4.14Å; C87-F131 HydrophobicContact CB-CE2 3.9Å; C87-F131 HydrophobicContact CB-CG 3.62Å; C87-F131 HydrophobicContact CB-CZ 4.13Å; L90-F131 HydrophobicContact CD2-CE2 3.95Å; I128-F131 HydrophobicContact CG2-CD2 4.4Å; I128-F131 WeakPolarHBondContact O-CD2 3.43Å; I128-F131 PolarHBondContact O-N 3.42Å; T129-F131 PolarHBondContact O-N 2.79Å |
| 132 | G | 94.7 | Very high | 96 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 135.2 | -154.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T129 | T129-G132 WeakPolarHBondContact CA-O 3.46Å; T129-G132 PolarHBondContact O-N 3.25Å |
| 133 | E | 94.2 | Very high | 95.9 | Very high | 201 Ų | 201 | 53.2 Ų | 53.2 | 94% | 0.939 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -68.6 | 140.2 | 179.4 | -66.1 | -177.9 | 173.8 | 0 | 0 | 111.6 | ||
| 134 | L | 94.9 | Very high | 95.8 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 146 | 177.1 | -62.3 | -179.7 | 0 | 0 | 0 | 110.7 | I125 I128 T129 N138 V139 | I125-L134 HydrophobicContact CG2-CD1 3.76Å; I125-L134 HydrophobicContact CG2-CD2 4.14Å; I128-L134 HydrophobicContact CB-CD2 4.13Å; I128-L134 HydrophobicContact CG2-CD2 3.84Å; T129-L134 HydrophobicContact CG2-CD1 3.93Å; T129-L134 HydrophobicContact CG2-CD2 3.83Å; T129-L134 HydrophobicContact CG2-CG 3.85Å; L134-N138 HydrophobicContact CB-CB 4.12Å; L134-N138 HydrophobicContact CD2-CB 4.43Å; L134-V139 HydrophobicContact CB-CG2 3.88Å; L134-V139 HydrophobicContact CD1-CG2 4.39Å |
| 135 | T | 94.5 | Very high | 95.7 | Very high | 68 Ų | 68 | 53.9 Ų | 53.9 | 42% | 0.417 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 153.7 | 167 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | E137 N138 V139 | T135-E137 PolarHBondContact O-N 2.92Å; T135-E137 VanDerWaalsContact O-N 3.17Å; T135-N138 WeakPolarHBondContact O-CB 3.44Å; T135-N138 PolarHBondContact O-N 3.07Å; T135-N138 WeakPolarHBondContact OG1-CB 3.41Å; T135-N138 PolarHBondContact OG1-N 3.07Å; T135-N138 VanDerWaalsContact OG1-N 3.16Å; T135-N138 PolarHBondContact OG1-ND2 3.06Å; T135-V139 PolarHBondContact O-N 3.26Å |
| 136 | D | 93.8 | Very high | 95.7 | Very high | 132 Ų | 132 | 58.1 Ų | 58.1 | 71% | 0.706 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -54.8 | -36.6 | 176.8 | -62.8 | -29.7 | 0 | 0 | 0 | 111.8 | V139 K140 | D136-V139 PolarHBondContact O-N 3.27Å; D136-K140 WeakPolarHBondContact O-CG 3.45Å; D136-K140 PolarHBondContact O-N 3.46Å |
| 137 | E | 93 | Very high | 95.6 | Very high | 99 Ų | 99 | 61.8 Ų | 61.8 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 176.6 | -167.2 | 63.4 | -167.9 | 0 | 0 | 111.9 | T135 V139 K140 H141 | T135-E137 PolarHBondContact O-N 2.92Å; T135-E137 VanDerWaalsContact O-N 3.17Å; E137-V139 VanDerWaalsContact C-N 3.31Å; E137-V139 PolarHBondContact O-N 3.5Å; E137-K140 PolarHBondContact O-N 3.06Å; E137-H141 WeakPolarHBondContact O-CB 3.11Å; E137-H141 PolarHBondContact O-N 3.22Å; E137-H141 IonicContact OE1-CD2 3.07Å; E137-H141 IonicContact OE1-CE1 2.79Å; E137-H141 PolarHBondContact OE1-CE1 2.92Å; E137-H141 IonicContact OE1-ND1 3.25Å; E137-H141 IonicContact OE1-NE2 3.18Å; E137-H141 PolarHBondContact OE1-NE2 3.33Å |
| 138 | N | 94.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 174.5 | -75.9 | -17.1 | 0 | 0 | 0 | 111.4 | E91 I125 L134 T135 R142 | E91-N138 PolarHBondContact OE1-ND2 2.91Å; I125-N138 HydrophobicContact CG2-CB 3.93Å; L134-N138 HydrophobicContact CB-CB 4.12Å; L134-N138 HydrophobicContact CD2-CB 4.43Å; T135-N138 WeakPolarHBondContact O-CB 3.44Å; T135-N138 PolarHBondContact O-N 3.07Å; T135-N138 WeakPolarHBondContact OG1-CB 3.41Å; T135-N138 PolarHBondContact OG1-N 3.07Å; T135-N138 VanDerWaalsContact OG1-N 3.16Å; T135-N138 PolarHBondContact OG1-ND2 3.06Å; N138-R142 VanDerWaalsContact O-CB 3.24Å; N138-R142 WeakPolarHBondContact O-CB 3.36Å; N138-R142 PolarHBondContact O-N 3.33Å |
| 139 | V | 96 | Very high | 95.4 | Very high | 65 Ų | 65 | 61.7 Ų | 61.7 | 39% | 0.394 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -48 | 176 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | L134 T135 D136 E137 R142 K143 | L134-V139 HydrophobicContact CB-CG2 3.88Å; L134-V139 HydrophobicContact CD1-CG2 4.39Å; T135-V139 PolarHBondContact O-N 3.26Å; D136-V139 PolarHBondContact O-N 3.27Å; E137-V139 VanDerWaalsContact C-N 3.31Å; E137-V139 PolarHBondContact O-N 3.5Å; V139-R142 PolarHBondContact O-N 3.2Å; V139-K143 PolarHBondContact O-N 2.94Å; V139-K143 VanDerWaalsContact O-N 3.07Å |
| 140 | K | 95 | Very high | 95.3 | Very high | 127 Ų | 127 | 62.8 Ų | 62.8 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.6 | -49.7 | 177.2 | -71.7 | 174.6 | -176.8 | -178.5 | 0 | 111.9 | D136 E137 R142 K143 Y144 | D136-K140 WeakPolarHBondContact O-CG 3.45Å; D136-K140 PolarHBondContact O-N 3.46Å; E137-K140 PolarHBondContact O-N 3.06Å; K140-R142 VanDerWaalsContact C-N 3.33Å; K140-R142 PolarHBondContact O-N 3.01Å; K140-K143 PolarHBondContact O-N 3.04Å; K140-Y144 WeakPolarHBondContact O-CB 3.43Å; K140-Y144 PolarHBondContact O-N 2.99Å |
| 141 | H | 94.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 65 Ų | 65 | 13% | 0.134 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 177.8 | -76.4 | 160.1 | 0 | 0 | 0 | 112.3 | F98 I125 E137 A145 | F98-H141 HydrophobicContact CD2-CB 4.19Å; F98-H141 AromaticContact CE1-CD2 3.52Å; F98-H141 AromaticContact CE1-NE2 3.66Å; F98-H141 HydrophobicContact CE2-CB 3.99Å; F98-H141 AromaticContact CE2-CD2 3.8Å; F98-H141 HydrophobicContact CZ-CB 4.43Å; F98-H141 AromaticContact CZ-CD2 3.35Å; F98-H141 WeakPolarHBondContact CZ-CD2 3.36Å; F98-H141 AromaticContact CZ-NE2 3.98Å; I125-H141 HydrophobicContact CD1-CB 3.85Å; E137-H141 WeakPolarHBondContact O-CB 3.11Å; E137-H141 PolarHBondContact O-N 3.22Å; E137-H141 IonicContact OE1-CD2 3.07Å; E137-H141 IonicContact OE1-CE1 2.79Å; E137-H141 PolarHBondContact OE1-CE1 2.92Å; E137-H141 IonicContact OE1-ND1 3.25Å; E137-H141 IonicContact OE1-NE2 3.18Å; E137-H141 PolarHBondContact OE1-NE2 3.33Å; H141-A145 WeakPolarHBondContact O-CB 3.36Å; H141-A145 PolarHBondContact O-N 3.41Å |
| 142 | R | 96.7 | Very high | 95.2 | Very high | 66 Ų | 66 | 62.7 Ų | 62.7 | 25% | 0.249 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 176.7 | -176.2 | 179.3 | 63.8 | 170.1 | 1.9 | 111.7 | I125 D126 N138 V139 K140 R146 | I125-R142 HydrophobicContact CB-CB 4.13Å; I125-R142 HydrophobicContact CB-CG 4.39Å; I125-R142 HydrophobicContact CD1-CB 3.99Å; I125-R142 HydrophobicContact CG2-CB 3.83Å; I125-R142 HydrophobicContact CG2-CG 4.31Å; D126-R142 WeakPolarHBondContact OD1-CD 3.38Å; D126-R142 IonicContact OD1-CZ 2.63Å; D126-R142 IonicContact OD1-NE 3.79Å; D126-R142 IonicContact OD1-NH1 3.9Å; D126-R142 PolarHBondContact OD1-NH1 3.19Å; N138-R142 VanDerWaalsContact O-CB 3.24Å; N138-R142 WeakPolarHBondContact O-CB 3.36Å; N138-R142 PolarHBondContact O-N 3.33Å; V139-R142 PolarHBondContact O-N 3.2Å; K140-R142 VanDerWaalsContact C-N 3.33Å; K140-R142 PolarHBondContact O-N 3.01Å; R142-R146 WeakPolarHBondContact O-CB 3.26Å; R142-R146 WeakPolarHBondContact O-CG 3.46Å; R142-R146 PolarHBondContact O-N 3.35Å |
| 143 | K | 95.9 | Very high | 95.3 | Very high | 93 Ų | 93 | 65.2 Ų | 65.2 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 178.5 | -172.7 | 175.1 | -179.2 | 177.6 | 0 | 110.5 | V139 K140 W147 N173 | V139-K143 PolarHBondContact O-N 2.94Å; V139-K143 VanDerWaalsContact O-N 3.07Å; K140-K143 PolarHBondContact O-N 3.04Å; K143-W147 WeakPolarHBondContact O-CB 3.38Å; K143-W147 PolarHBondContact O-N 2.9Å; K143-N173 PolarHBondContact NZ-O 2.78Å |
| 144 | Y | 95.4 | Very high | 95.4 | Very high | 19 Ų | 19 | 59.1 Ų | 59.1 | 8% | 0.075 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 179.1 | -177.2 | -95 | 0 | 0 | 0 | 112.5 | F98 D102 F118 K140 W147 K148 P166 I169 | F98-Y144 AromaticContact CE2-CD1 3.62Å; F98-Y144 HydrophobicContact CE2-CD1 3.62Å; F98-Y144 HydrophobicContact CE2-CE1 4.37Å; F98-Y144 HydrophobicContact CE2-CG 4.49Å; F98-Y144 AromaticContact CZ-CD1 3.46Å; F98-Y144 HydrophobicContact CZ-CD1 3.46Å; F98-Y144 VanDerWaalsContact CZ-CD1 3.46Å; F98-Y144 AromaticContact CZ-CE1 3.93Å; F98-Y144 HydrophobicContact CZ-CE1 3.93Å; F98-Y144 HydrophobicContact CZ-CG 4.33Å; D102-Y144 PolarHBondContact OD1-OH 3.48Å; F118-Y144 HydrophobicContact CE1-CD1 4.13Å; F118-Y144 AromaticContact CE1-CE1 3.87Å; F118-Y144 HydrophobicContact CE1-CE1 3.87Å; F118-Y144 AromaticContact CZ-CE1 3.93Å; F118-Y144 HydrophobicContact CZ-CE1 3.93Å; K140-Y144 WeakPolarHBondContact O-CB 3.43Å; K140-Y144 PolarHBondContact O-N 2.99Å; Y144-W147 HydrophobicContact CD2-CE3 4.28Å; Y144-W147 HydrophobicContact CD2-CZ3 4.44Å; Y144-W147 HydrophobicContact CE2-CE3 4.42Å; Y144-W147 HydrophobicContact CE2-CZ3 4.16Å; Y144-W147 PolarHBondContact O-N 3.04Å; Y144-K148 HydrophobicContact CD1-CG 4.06Å; Y144-K148 HydrophobicContact CD2-CG 4.43Å; Y144-K148 HydrophobicContact CE1-CG 3.66Å; Y144-K148 HydrophobicContact CE2-CG 4.01Å; Y144-K148 HydrophobicContact CG-CG 4.47Å; Y144-K148 WeakPolarHBondContact O-CB 3.35Å; Y144-K148 PolarHBondContact O-N 3.01Å; Y144-K148 WeakPolarHBondContact OH-CE 3.31Å; Y144-P166 HydrophobicContact CE2-CB 4.45Å; Y144-P166 WeakPolarHBondContact OH-CA 3.47Å; Y144-I169 HydrophobicContact CD2-CD1 3.7Å; Y144-I169 HydrophobicContact CD2-CG1 4.11Å; Y144-I169 HydrophobicContact CG-CD1 4.22Å |
| 145 | A | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F98 F118 H141 W147 A149 | F98-A145 HydrophobicContact CD2-CB 3.9Å; F98-A145 HydrophobicContact CE2-CB 3.94Å; F118-A145 HydrophobicContact CB-CB 4.34Å; F118-A145 HydrophobicContact CD1-CB 3.88Å; F118-A145 WeakPolarHBondContact O-CB 3.11Å; H141-A145 WeakPolarHBondContact O-CB 3.36Å; H141-A145 PolarHBondContact O-N 3.41Å; A145-W147 VanDerWaalsContact C-N 3.34Å; A145-A149 VanDerWaalsContact O-CB 3.23Å; A145-A149 WeakPolarHBondContact O-CB 3.27Å; A145-A149 PolarHBondContact O-N 2.8Å |
| 146 | R | 96.4 | Very high | 95.4 | Very high | 93 Ų | 93 | 58.2 Ų | 58.2 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 173.7 | -78.3 | -177 | 129.3 | 109.3 | -4.2 | 111.4 | S122 D126 R142 T150 | S122-R146 WeakPolarHBondContact OG-CG 3.45Å; D126-R146 IonicContact OD1-NH1 3.55Å; D126-R146 PolarHBondContact OD1-NH1 3.4Å; D126-R146 IonicContact OD2-CZ 2.93Å; D126-R146 IonicContact OD2-NH1 3.42Å; D126-R146 PolarHBondContact OD2-NH1 2.84Å; D126-R146 IonicContact OD2-NH2 3.85Å; D126-R146 PolarHBondContact OD2-NH2 2.83Å; R142-R146 WeakPolarHBondContact O-CB 3.26Å; R142-R146 WeakPolarHBondContact O-CG 3.46Å; R142-R146 PolarHBondContact O-N 3.35Å; R146-T150 WeakPolarHBondContact O-CB 3.36Å; R146-T150 PolarHBondContact O-N 2.94Å; R146-T150 VanDerWaalsContact O-N 3.14Å; R146-T150 PolarHBondContact O-OG1 3.07Å |
| 147 | W | 96 | Very high | 95.4 | Very high | 84 Ų | 84 | 59.4 Ų | 59.4 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -54.5 | 179.9 | 172.5 | 73.7 | 0 | 0 | 0 | 111.3 | K143 Y144 A145 A149 T150 Y151 V167 | K143-W147 WeakPolarHBondContact O-CB 3.38Å; K143-W147 PolarHBondContact O-N 2.9Å; Y144-W147 HydrophobicContact CD2-CE3 4.28Å; Y144-W147 HydrophobicContact CD2-CZ3 4.44Å; Y144-W147 HydrophobicContact CE2-CE3 4.42Å; Y144-W147 HydrophobicContact CE2-CZ3 4.16Å; Y144-W147 PolarHBondContact O-N 3.04Å; A145-W147 VanDerWaalsContact C-N 3.34Å; W147-A149 PolarHBondContact O-N 3.4Å; W147-T150 PolarHBondContact O-N 3.18Å; W147-Y151 HydrophobicContact CH2-CD1 4.4Å; W147-Y151 HydrophobicContact CZ2-CD1 4.3Å; W147-Y151 HydrophobicContact CZ2-CG 4.22Å; W147-Y151 VanDerWaalsContact O-CB 3.24Å; W147-Y151 WeakPolarHBondContact O-CB 3.38Å; W147-Y151 PolarHBondContact O-N 3.11Å; W147-V167 HydrophobicContact CH2-CB 3.62Å; W147-V167 HydrophobicContact CH2-CG1 4.32Å; W147-V167 HydrophobicContact CH2-CG2 3.76Å; W147-V167 HydrophobicContact CZ3-CB 4.19Å; W147-V167 HydrophobicContact CZ3-CG2 4.49Å |
| 148 | K | 94.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.7 | -44 | 178.2 | -82.6 | -64.7 | -162.8 | 161.5 | 0 | 112.5 | D105 F118 Y144 T150 Y151 I152 Q163 G165 | D105-K148 IonicContact OD1-NZ 2.96Å; D105-K148 PolarHBondContact OD1-NZ 3.5Å; D105-K148 WeakPolarHBondContact OD2-CE 3.5Å; D105-K148 IonicContact OD2-NZ 2.72Å; D105-K148 PolarHBondContact OD2-NZ 3.23Å; F118-K148 HydrophobicContact CD2-CB 3.84Å; F118-K148 HydrophobicContact CE2-CB 3.81Å; F118-K148 HydrophobicContact CE2-CG 4.26Å; F118-K148 HydrophobicContact CG-CB 4.25Å; F118-K148 HydrophobicContact CZ-CB 4.17Å; F118-K148 HydrophobicContact CZ-CG 4.29Å; Y144-K148 HydrophobicContact CD1-CG 4.06Å; Y144-K148 HydrophobicContact CD2-CG 4.43Å; Y144-K148 HydrophobicContact CE1-CG 3.66Å; Y144-K148 HydrophobicContact CE2-CG 4.01Å; Y144-K148 HydrophobicContact CG-CG 4.47Å; Y144-K148 WeakPolarHBondContact O-CB 3.35Å; Y144-K148 PolarHBondContact O-N 3.01Å; Y144-K148 WeakPolarHBondContact OH-CE 3.31Å; K148-T150 VanDerWaalsContact C-N 3.31Å; K148-T150 PolarHBondContact O-N 3.07Å; K148-Y151 HydrophobicContact CD-CD1 4.46Å; K148-Y151 PolarHBondContact O-N 2.87Å; K148-I152 HydrophobicContact CB-CD1 4.36Å; K148-I152 HydrophobicContact CD-CD1 4.21Å; K148-I152 VanDerWaalsContact O-CB 3.31Å; K148-I152 WeakPolarHBondContact O-CB 3.48Å; K148-I152 WeakPolarHBondContact O-CG1 3.24Å; K148-I152 PolarHBondContact O-N 3.01Å; K148-Q163 PolarHBondContact NZ-O 3.14Å; K148-Q163 VanDerWaalsContact NZ-O 3.12Å; K148-G165 WeakPolarHBondContact CE-O 3.31Å; K148-G165 PolarHBondContact NZ-O 3.23Å |
| 149 | A | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I115 F118 A145 W147 H153 | I115-A149 HydrophobicContact CG2-CB 4.4Å; F118-A149 HydrophobicContact CB-CB 3.9Å; A145-A149 VanDerWaalsContact O-CB 3.23Å; A145-A149 WeakPolarHBondContact O-CB 3.27Å; A145-A149 PolarHBondContact O-N 2.8Å; W147-A149 PolarHBondContact O-N 3.4Å; A149-H153 WeakPolarHBondContact O-CB 3.48Å; A149-H153 PolarHBondContact O-N 3.08Å; A149-H153 VanDerWaalsContact O-N 3.16Å |
| 150 | T | 96 | Very high | 95.4 | Very high | 77 Ų | 77 | 64.8 Ų | 64.8 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71 | -47.5 | -179.9 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | R146 W147 K148 H153 N154 | R146-T150 WeakPolarHBondContact O-CB 3.36Å; R146-T150 PolarHBondContact O-N 2.94Å; R146-T150 VanDerWaalsContact O-N 3.14Å; R146-T150 PolarHBondContact O-OG1 3.07Å; W147-T150 PolarHBondContact O-N 3.18Å; K148-T150 VanDerWaalsContact C-N 3.31Å; K148-T150 PolarHBondContact O-N 3.07Å; T150-H153 PolarHBondContact O-N 2.88Å; T150-N154 WeakPolarHBondContact O-CB 3.44Å; T150-N154 PolarHBondContact O-N 3.13Å; T150-N154 PolarHBondContact O-ND2 3.42Å |
| 151 | Y | 95.6 | Very high | 95.1 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 26% | 0.263 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -55.1 | 179.7 | 169.4 | -112.9 | 0 | 0 | 0 | 111.6 | W147 K148 H153 N154 C155 P162 Q163 | W147-Y151 HydrophobicContact CH2-CD1 4.4Å; W147-Y151 HydrophobicContact CZ2-CD1 4.3Å; W147-Y151 HydrophobicContact CZ2-CG 4.22Å; W147-Y151 VanDerWaalsContact O-CB 3.24Å; W147-Y151 WeakPolarHBondContact O-CB 3.38Å; W147-Y151 PolarHBondContact O-N 3.11Å; K148-Y151 HydrophobicContact CD-CD1 4.46Å; K148-Y151 PolarHBondContact O-N 2.87Å; Y151-H153 VanDerWaalsContact C-N 3.32Å; Y151-H153 PolarHBondContact O-N 3.34Å; Y151-N154 PolarHBondContact O-N 2.85Å; Y151-N154 VanDerWaalsContact O-N 3.17Å; Y151-C155 WeakPolarHBondContact CE2-SG 3.46Å; Y151-C155 PolarHBondContact O-N 3.37Å; Y151-C155 PolarHBondContact O-SG 3.29Å; Y151-P162 HydrophobicContact CD1-CB 4.41Å; Y151-P162 HydrophobicContact CE1-CB 3.72Å; Y151-Q163 PolarHBondContact OH-N 3.02Å |
| 152 | I | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | -178.5 | -62 | 171.6 | 0 | 0 | 0 | 110.3 | D105 F110 M114 I115 F118 K148 N154 C155 L156 P162 | D105-I152 WeakPolarHBondContact OD1-CD1 3.23Å; F110-I152 HydrophobicContact CB-CG2 4.11Å; F110-I152 HydrophobicContact CD1-CD1 4.06Å; F110-I152 HydrophobicContact CD1-CG1 4.29Å; F110-I152 HydrophobicContact CD1-CG2 3.81Å; F110-I152 HydrophobicContact CE1-CD1 4.18Å; F110-I152 HydrophobicContact CE1-CG1 4.42Å; F110-I152 HydrophobicContact CG-CG2 4.27Å; M114-I152 HydrophobicContact CE-CD1 3.54Å; M114-I152 HydrophobicContact SD-CD1 3.82Å; M114-I152 HydrophobicContact SD-CG2 4.08Å; I115-I152 HydrophobicContact CD1-CB 4.48Å; I115-I152 HydrophobicContact CD1-CG2 3.83Å; I115-I152 HydrophobicContact CG1-CB 4.17Å; I115-I152 HydrophobicContact CG1-CG2 3.7Å; F118-I152 HydrophobicContact CE2-CD1 4.32Å; K148-I152 HydrophobicContact CB-CD1 4.36Å; K148-I152 HydrophobicContact CD-CD1 4.21Å; K148-I152 VanDerWaalsContact O-CB 3.31Å; K148-I152 WeakPolarHBondContact O-CB 3.48Å; K148-I152 WeakPolarHBondContact O-CG1 3.24Å; K148-I152 PolarHBondContact O-N 3.01Å; I152-N154 VanDerWaalsContact C-N 3.34Å; I152-N154 PolarHBondContact O-N 2.74Å; I152-C155 PolarHBondContact O-N 2.93Å; I152-L156 HydrophobicContact CG2-CD1 4.29Å; I152-L156 HydrophobicContact CG2-CG 4.36Å; I152-L156 WeakPolarHBondContact O-CG 3.33Å; I152-L156 PolarHBondContact O-N 3.34Å; I152-P162 HydrophobicContact CB-CG 4.35Å; I152-P162 HydrophobicContact CG1-CB 4.1Å; I152-P162 HydrophobicContact CG1-CG 4.33Å; I152-P162 HydrophobicContact CG2-CG 3.95Å |
| 153 | H | 96.4 | Very high | 94.6 | Very high | 96 Ų | 96 | 66.3 Ų | 66.3 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 175.7 | 176.8 | -91.6 | 0 | 0 | 0 | 112.2 | I115 A149 T150 Y151 K157 | I115-H153 HydrophobicContact CD1-CB 4.29Å; I115-H153 HydrophobicContact CG2-CB 4.15Å; A149-H153 WeakPolarHBondContact O-CB 3.48Å; A149-H153 PolarHBondContact O-N 3.08Å; A149-H153 VanDerWaalsContact O-N 3.16Å; T150-H153 PolarHBondContact O-N 2.88Å; Y151-H153 VanDerWaalsContact C-N 3.32Å; Y151-H153 PolarHBondContact O-N 3.34Å; H153-K157 VanDerWaalsContact O-CB 3.28Å; H153-K157 WeakPolarHBondContact O-CB 3.42Å; H153-K157 PolarHBondContact O-N 3Å |
| 154 | N | 95.7 | Very high | 94.3 | Very high | 73 Ų | 73 | 64.1 Ų | 64.1 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.4 | -43 | -179.8 | -70.1 | -14.1 | 0 | 0 | 0 | 112 | T150 Y151 I152 K157 N158 | T150-N154 WeakPolarHBondContact O-CB 3.44Å; T150-N154 PolarHBondContact O-N 3.13Å; T150-N154 PolarHBondContact O-ND2 3.42Å; Y151-N154 PolarHBondContact O-N 2.85Å; Y151-N154 VanDerWaalsContact O-N 3.17Å; I152-N154 VanDerWaalsContact C-N 3.34Å; I152-N154 PolarHBondContact O-N 2.74Å; N154-K157 PolarHBondContact O-N 3.3Å; N154-N158 WeakPolarHBondContact O-CB 3.46Å; N154-N158 VanDerWaalsContact O-CG 3.28Å; N154-N158 PolarHBondContact O-N 3.06Å |
| 155 | C | 95.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 5% | 0.047 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58 | -50.3 | 174.1 | -72.1 | 0 | 0 | 0 | 0 | 111.4 | Y151 I152 K157 N158 G159 E160 P162 | Y151-C155 WeakPolarHBondContact CE2-SG 3.46Å; Y151-C155 PolarHBondContact O-N 3.37Å; Y151-C155 PolarHBondContact O-SG 3.29Å; I152-C155 PolarHBondContact O-N 2.93Å; C155-K157 VanDerWaalsContact C-N 3.3Å; C155-K157 PolarHBondContact O-N 3.44Å; C155-N158 CarbonylContact O-C 3.54Å; C155-N158 PolarHBondContact O-N 3.49Å; C155-N158 VanDerWaalsContact O-N 3.13Å; C155-G159 PolarHBondContact O-N 2.69Å; C155-E160 CarbonylContact C-O 3.31Å; C155-E160 VanDerWaalsContact C-O 3.31Å; C155-E160 HydrophobicContact CB-CB 4.14Å; C155-E160 WeakPolarHBondContact CB-O 3.45Å; C155-E160 PolarHBondContact O-N 2.89Å; C155-P162 HydrophobicContact CB-CB 4.21Å; C155-P162 HydrophobicContact CB-CG 3.71Å |
| 156 | L | 94.1 | Very high | 92.1 | Very high | 74 Ų | 74 | 67.1 Ų | 67.1 | 39% | 0.387 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | -33.9 | 178.4 | -66.6 | -172.2 | 0 | 0 | 0 | 113 | F110 I115 I152 N158 | F110-L156 HydrophobicContact CB-CD1 4.21Å; F110-L156 HydrophobicContact CB-CD2 4.04Å; F110-L156 HydrophobicContact CB-CG 4.46Å; I115-L156 HydrophobicContact CD1-CD1 3.83Å; I152-L156 HydrophobicContact CG2-CD1 4.29Å; I152-L156 HydrophobicContact CG2-CG 4.36Å; I152-L156 WeakPolarHBondContact O-CG 3.33Å; I152-L156 PolarHBondContact O-N 3.34Å; L156-N158 VanDerWaalsContact C-N 3.33Å |
| 157 | K | 95.2 | Very high | 90.3 | Very high | 157 Ų | 157 | 64.7 Ų | 64.7 | 68% | 0.683 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.3 | -34.5 | 175.8 | -174.8 | -177.3 | 175.7 | -170.4 | 0 | 111.9 | H153 N154 C155 | H153-K157 VanDerWaalsContact O-CB 3.28Å; H153-K157 WeakPolarHBondContact O-CB 3.42Å; H153-K157 PolarHBondContact O-N 3Å; N154-K157 PolarHBondContact O-N 3.3Å; C155-K157 VanDerWaalsContact C-N 3.3Å; C155-K157 PolarHBondContact O-N 3.44Å |
| 158 | N | 95.1 | Very high | 88.1 | Confident | 109 Ų | 109 | 63.5 Ų | 63.5 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -91.2 | -4.3 | -178.8 | -65.8 | -1.3 | 0 | 0 | 0 | 113.4 | N154 C155 L156 E160 | N154-N158 WeakPolarHBondContact O-CB 3.46Å; N154-N158 VanDerWaalsContact O-CG 3.28Å; N154-N158 PolarHBondContact O-N 3.06Å; C155-N158 CarbonylContact O-C 3.54Å; C155-N158 PolarHBondContact O-N 3.49Å; C155-N158 VanDerWaalsContact O-N 3.13Å; L156-N158 VanDerWaalsContact C-N 3.33Å; N158-E160 HydrophobicContact CB-CG 4.33Å |
| 159 | G | 93 | Very high | 86 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 73% | 0.732 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 17.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | C155 | C155-G159 PolarHBondContact O-N 2.69Š|
| 160 | E | 93.3 | Very high | 83.4 | Confident | 114 Ų | 114 | 74.2 Ų | 74.2 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 146.7 | 176.4 | -62.8 | 171.9 | -178.7 | 0 | 0 | 110.6 | C155 N158 P162 | C155-E160 CarbonylContact C-O 3.31Å; C155-E160 VanDerWaalsContact C-O 3.31Å; C155-E160 HydrophobicContact CB-CB 4.14Å; C155-E160 WeakPolarHBondContact CB-O 3.45Å; C155-E160 PolarHBondContact O-N 2.89Å; N158-E160 HydrophobicContact CB-CG 4.33Å; E160-P162 WeakPolarHBondContact O-CD 3.22Å |
| 161 | T | 89.7 | Confident | 80.9 | Confident | 125 Ų | 125 | 79.4 Ų | 79.4 | 77% | 0.767 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -86 | 117.2 | 174.4 | -55.7 | 0 | 0 | 0 | 0 | 109.6 | F110 | F110-T161 HydrophobicContact CE2-CG2 4.4Š|
| 162 | P | 91.5 | Very high | 78.3 | Confident | 6 Ų | 6 | 83.3 Ų | 83.3 | 4% | 0.039 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 151.2 | 176.5 | -9.9 | 19.2 | 0 | 0 | 0 | 112.2 | F110 Y151 I152 C155 E160 A164 | F110-P162 HydrophobicContact CB-CG 4.29Å; F110-P162 HydrophobicContact CD1-CB 4.13Å; F110-P162 HydrophobicContact CD1-CG 3.85Å; F110-P162 HydrophobicContact CD2-CB 4.3Å; F110-P162 HydrophobicContact CD2-CG 3.75Å; F110-P162 HydrophobicContact CE1-CB 3.83Å; F110-P162 HydrophobicContact CE1-CG 4.06Å; F110-P162 HydrophobicContact CE2-CB 4Å; F110-P162 HydrophobicContact CE2-CG 3.96Å; F110-P162 VanDerWaalsContact CE2-O 3.23Å; F110-P162 WeakPolarHBondContact CE2-O 3.3Å; F110-P162 HydrophobicContact CG-CB 4.35Å; F110-P162 HydrophobicContact CG-CG 3.68Å; F110-P162 HydrophobicContact CZ-CB 3.75Å; F110-P162 HydrophobicContact CZ-CG 4.1Å; F110-P162 VanDerWaalsContact CZ-O 3.29Å; F110-P162 WeakPolarHBondContact CZ-O 3.39Å; Y151-P162 HydrophobicContact CD1-CB 4.41Å; Y151-P162 HydrophobicContact CE1-CB 3.72Å; I152-P162 HydrophobicContact CB-CG 4.35Å; I152-P162 HydrophobicContact CG1-CB 4.1Å; I152-P162 HydrophobicContact CG1-CG 4.33Å; I152-P162 HydrophobicContact CG2-CG 3.95Å; C155-P162 HydrophobicContact CB-CB 4.21Å; C155-P162 HydrophobicContact CB-CG 3.71Å; E160-P162 WeakPolarHBondContact O-CD 3.22Å; P162-A164 PolarHBondContact O-N 2.93Å |
| 163 | Q | 89 | Confident | 75.6 | Confident | 123 Ų | 123 | 88.9 Ų | 88.9 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 122.6 | 171.3 | -173.5 | 174.4 | -6.3 | 0 | 0 | 110.8 | K148 Y151 V167 | K148-Q163 PolarHBondContact NZ-O 3.14Å; K148-Q163 VanDerWaalsContact NZ-O 3.12Å; Y151-Q163 PolarHBondContact OH-N 3.02Å; Q163-V167 HydrophobicContact CB-CG2 4.34Å; Q163-V167 HydrophobicContact CG-CG2 4.23Å |
| 164 | A | 88.7 | Confident | 72.8 | Confident | 47 Ų | 47 | 91.5 Ų | 91.5 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 148.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D105 F110 P162 | D105-A164 WeakPolarHBondContact O-CA 3.44Å; D105-A164 WeakPolarHBondContact O-CB 3.21Å; F110-A164 HydrophobicContact CZ-CB 4.16Å; P162-A164 PolarHBondContact O-N 2.93Å |
| 165 | G | 76 | Confident | 70.4 | Confident | 9 Ų | 9 | 93 Ų | 93 | 9% | 0.093 | 52% | 0.524 | C | S | . | . | S | Bend | trans | 87.1 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D105 K148 V167 | D105-G165 WeakPolarHBondContact OD2-CA 3.39Å; D105-G165 PolarHBondContact OD2-N 3.36Å; K148-G165 WeakPolarHBondContact CE-O 3.31Å; K148-G165 PolarHBondContact NZ-O 3.23Å; G165-V167 PolarHBondContact O-N 3.08Å |
| 166 | P | 70.5 | Confident | 67.7 | Low | 73 Ų | 73 | 99.9 Ų | 99.9 | 47% | 0.474 | 56% | 0.555 | S | S | . | * | trans | -68.5 | 97.6 | 177.1 | 29.2 | -32.8 | 0 | 0 | 0 | 108.1 | Y144 G168 | Y144-P166 HydrophobicContact CE2-CB 4.45Å; Y144-P166 WeakPolarHBondContact OH-CA 3.47Å; P166-G168 PolarHBondContact O-N 3Å | ||
| 167 | V | 58.1 | Low | 65 | Low | 42 Ų | 42 | 104.8 Ų | 104.8 | 26% | 0.255 | 58% | 0.576 | S | S | . | * | trans | -64.4 | 118.8 | 159.7 | -170.6 | 0 | 0 | 0 | 0 | 104.1 | W147 Q163 G165 I169 | W147-V167 HydrophobicContact CH2-CB 3.62Å; W147-V167 HydrophobicContact CH2-CG1 4.32Å; W147-V167 HydrophobicContact CH2-CG2 3.76Å; W147-V167 HydrophobicContact CZ3-CB 4.19Å; W147-V167 HydrophobicContact CZ3-CG2 4.49Å; Q163-V167 HydrophobicContact CB-CG2 4.34Å; Q163-V167 HydrophobicContact CG-CG2 4.23Å; G165-V167 PolarHBondContact O-N 3.08Å; V167-I169 PolarHBondContact O-N 3.16Å | ||
| 168 | G | 50.9 | Low | 62.2 | Low | 59 Ų | 59 | 103.1 Ų | 103.1 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | trans | -48.4 | 115.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | P166 E170 | P166-G168 PolarHBondContact O-N 3Å; G168-E170 PolarHBondContact O-N 3.34Å | ||
| 169 | I | 51.2 | Low | 59.5 | Low | 68 Ų | 68 | 106 Ų | 106 | 35% | 0.349 | 59% | 0.585 | S | S | . | * | trans | -70.4 | 81.1 | 161.2 | -50.6 | 169.8 | 0 | 0 | 0 | 102.6 | Y144 V167 E171 | Y144-I169 HydrophobicContact CD2-CD1 3.7Å; Y144-I169 HydrophobicContact CD2-CG1 4.11Å; Y144-I169 HydrophobicContact CG-CD1 4.22Å; V167-I169 PolarHBondContact O-N 3.16Å; I169-E171 PolarHBondContact O-N 3.1Å | ||
| 170 | E | 40.3 | Very low | 56.8 | Low | 162 Ų | 162 | 106.6 Ų | 106.6 | 76% | 0.757 | 57% | 0.571 | S | S | * | * | trans | -51.2 | 129.7 | 166.5 | -68 | -174.7 | 175.7 | 0 | 0 | 105.8 | G168 D172 | G168-E170 PolarHBondContact O-N 3.34Å; E170-D172 PolarHBondContact O-N 3.24Å | ||
| 171 | E | 44.2 | Very low | 54.2 | Low | 185 Ų | 185 | 108.1 Ų | 108.1 | 86% | 0.864 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 12.3 | -164 | -66.9 | 179.3 | 146.1 | 0 | 0 | 114.2 | I169 | I169-E171 PolarHBondContact O-N 3.1Š|
| 172 | D | 41.5 | Very low | 51.6 | Low | 150 Ų | 150 | 103.7 Ų | 103.7 | 80% | 0.802 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | 6.6 | -168.2 | -107.6 | -8.3 | 0 | 0 | 0 | 115.5 | E170 D174 | E170-D172 PolarHBondContact O-N 3.24Å; D172-D174 PolarHBondContact O-N 2.88Å |
| 173 | N | 38.2 | Very low | 48.8 | Very low | 116 Ų | 116 | 107.6 Ų | 107.6 | 62% | 0.62 | 60% | 0.6 | S | S | * | * | trans | -95.5 | 92.3 | 166.5 | -82.6 | -38.3 | 0 | 0 | 0 | 110.5 | K143 V175 | K143-N173 PolarHBondContact NZ-O 2.78Å; N173-V175 HydrophobicContact CB-CG2 4.29Å; N173-V175 PolarHBondContact O-N 3.44Å | ||
| 174 | D | 38.6 | Very low | 46.2 | Very low | 152 Ų | 152 | 107.6 Ų | 107.6 | 81% | 0.813 | 61% | 0.609 | S | S | * | * | trans | -54.3 | 79.9 | 146.8 | -75.8 | -41.2 | 0 | 0 | 0 | 108.3 | D172 E176 | D172-D174 PolarHBondContact O-N 2.88Å; D174-E176 PolarHBondContact O-N 3.23Å | ||
| 175 | V | 44.2 | Very low | 43.7 | Very low | 105 Ų | 105 | 110.2 Ų | 110.2 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | trans | -71.5 | 91 | 161.1 | -169.8 | 0 | 0 | 0 | 0 | 104.4 | N173 E177 | N173-V175 HydrophobicContact CB-CG2 4.29Å; N173-V175 PolarHBondContact O-N 3.44Å; V175-E177 PolarHBondContact O-N 2.82Å | ||
| 176 | E | 39.5 | Very low | 41.9 | Very low | 150 Ų | 150 | 117.5 Ų | 117.5 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | trans | -37.6 | 123.4 | 172.1 | -67.2 | -176.8 | 155.4 | 0 | 0 | 108.9 | D174 N178 | D174-E176 PolarHBondContact O-N 3.23Å; E176-N178 PolarHBondContact O-N 3.4Å | ||
| 177 | E | 36.6 | Very low | 40.6 | Very low | 178 Ų | 178 | 120 Ų | 120 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | trans | -58.7 | 81 | 168.5 | -74.2 | -178.3 | 149.8 | 0 | 0 | 108.5 | V175 E179 | V175-E177 PolarHBondContact O-N 2.82Å; E177-E179 PolarHBondContact O-N 3.28Å | ||
| 178 | N | 37.1 | Very low | 39.5 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | trans | -75.7 | 80.7 | 161.3 | -81.8 | -61.3 | 0 | 0 | 0 | 106.8 | E176 D180 | E176-N178 PolarHBondContact O-N 3.4Å; N178-D180 PolarHBondContact O-N 2.95Å | ||
| 179 | E | 36.8 | Very low | 39.2 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | trans | -63.3 | 55.7 | 153.3 | -69.9 | -137.8 | 126.4 | 0 | 0 | 110.2 | E177 | E177-E179 PolarHBondContact O-N 3.28Š| ||
| 180 | D | 36.4 | Very low | 39.1 | Very low | 85 Ų | 85 | 132.4 Ų | 132.4 | 46% | 0.455 | 73% | 0.733 | S | S | . | * | trans | -155.6 | 80 | 162.1 | -167.6 | 19.6 | 0 | 0 | 0 | 110.9 | N178 G182 | N178-D180 PolarHBondContact O-N 2.95Å; D180-G182 PolarHBondContact OD1-N 2.65Å; D180-G182 VanDerWaalsContact OD1-N 3.11Å | ||
| 181 | V | 39 | Very low | 39.3 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 89% | 0.885 | 74% | 0.738 | S | S | * | * | trans | -107 | 62.5 | 157.2 | -159.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 182 | G | 35.3 | Very low | 39.3 | Very low | 32 Ų | 32 | 131.2 Ų | 131.2 | 33% | 0.33 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -169.2 | 106.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K15 D180 | K15-G182 PolarHBondContact NZ-O 3.15Å; D180-G182 PolarHBondContact OD1-N 2.65Å; D180-G182 VanDerWaalsContact OD1-N 3.11Å |
| 183 | A | 32.7 | Very low | 39.3 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 104.9 | 76.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 184 | T | 34.5 | Very low | 39.3 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 177.2 | 144.8 | 144.7 | 17.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 185 | S | 35.4 | Very low | 39.5 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | cis | -170.6 | 133.8 | -5.1 | 27.4 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 186 | L | 38.8 | Very low | 39.3 | Very low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -59.4 | 145.1 | 174.4 | -73.5 | 105.7 | 0 | 0 | 0 | 110.4 | T188 | L186-T188 PolarHBondContact O-N 3.04Š| ||
| 187 | P | 43.4 | Very low | 39.4 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 76% | 0.757 | S | S | * | * | trans | -64.1 | 126.2 | 176.5 | 7.9 | -1.6 | 0 | 0 | 0 | 110 | Q189 | P187-Q189 PolarHBondContact O-N 3.4Š| ||
| 188 | T | 34.8 | Very low | 39.5 | Very low | 142 Ų | 142 | 124.1 Ų | 124.1 | 87% | 0.871 | 76% | 0.755 | S | S | * | * | trans | -60.4 | 110.2 | 174.9 | -46.2 | 0 | 0 | 0 | 0 | 110.1 | L186 | L186-T188 PolarHBondContact O-N 3.04Š| ||
| 189 | Q | 44.9 | Very low | 39.8 | Very low | 175 Ų | 175 | 129.3 Ų | 129.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -83 | 144 | 163.7 | -170 | 173.6 | 14.6 | 0 | 0 | 109.2 | P187 | P187-Q189 PolarHBondContact O-N 3.4Š|
| 190 | P | 49.5 | Very low | 39.8 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 157.2 | -177.7 | -14.5 | 29.2 | 0 | 0 | 0 | 112.8 | ||
| 191 | P | 43.2 | Very low | 39.7 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80 | 134.5 | -159.4 | 31.6 | -33.6 | 0 | 0 | 0 | 113.6 | ||
| 192 | Q | 45.2 | Very low | 39.6 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -124.5 | 135.2 | 160.7 | -118.7 | -176.3 | -53.7 | 0 | 0 | 109.5 | ||||
| 193 | P | 41.1 | Very low | 39.5 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -91.9 | 156.3 | -168.2 | 36.4 | -34.7 | 0 | 0 | 0 | 113.6 | ||||
| 194 | S | 38.3 | Very low | 39.6 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | 85.7 | 102.8 | 153.1 | -43.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 195 | S | 42.5 | Very low | 39.5 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | 167 | 133.3 | 103.2 | -66.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 196 | S | 41 | Very low | 39.2 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -69.7 | 136.9 | -176.2 | 50.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 197 | S | 41.3 | Very low | 38.9 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -159.2 | 118.3 | 140.4 | 36.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 198 | T | 38.8 | Very low | 38.4 | Very low | 131 Ų | 131 | 130 Ų | 130 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -53.9 | 126.9 | 171.9 | -53.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 199 | Y | 42.7 | Very low | 38.3 | Very low | 230 Ų | 230 | 131.8 Ų | 131.8 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -150.1 | 140.3 | 146.2 | -82.1 | -68.8 | 0 | 0 | 0 | 112.2 | ||||
| 200 | D | 38.1 | Very low | 37.8 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -53.6 | 140.7 | -172.1 | -163.7 | -5.5 | 0 | 0 | 0 | 116.6 | ||||
| 201 | P | 34 | Very low | 36.9 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | trans | -90.9 | 111.9 | 176.4 | 34.3 | -29.3 | 0 | 0 | 0 | 111.6 | ||||
| 202 | S | 36.8 | Very low | 36.5 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -154.5 | 140.8 | 161.2 | -84.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 203 | N | 32.5 | Very low | 35.7 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | 82.3 | 82.2 | 175.5 | -64.3 | -22.1 | 0 | 0 | 0 | 118.2 | ||||
| 204 | L | 34 | Very low | 35.7 | Very low | 184 Ų | 184 | 125.3 Ų | 125.3 | 96% | 0.963 | 76% | 0.761 | S | S | * | * | trans | -129.6 | 98.2 | 134.4 | -78.5 | 175.1 | 0 | 0 | 0 | 109.3 | ||||
| 205 | A | 32.3 | Very low | 35.5 | Very low | 94 Ų | 94 | 125 Ų | 125 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | -62.3 | 142.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G207 | A205-G207 PolarHBondContact O-N 2.97Š| ||
| 206 | A | 30.2 | Very low | 34.9 | Very low | 92 Ų | 92 | 126 Ų | 126 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -49.9 | 124.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S208 | A206-S208 PolarHBondContact O-N 3.46Š| ||
| 207 | G | 33.2 | Very low | 34.7 | Very low | 56 Ų | 56 | 123.4 Ų | 123.4 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | trans | -60.8 | 98.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A205 Y209 | A205-G207 PolarHBondContact O-N 2.97Å; G207-Y209 WeakPolarHBondContact O-CD2 3.49Å; G207-Y209 WeakPolarHBondContact O-CE2 3.24Å; G207-Y209 PolarHBondContact O-N 3.35Å | ||
| 208 | S | 31.6 | Very low | 34.4 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -60.9 | 111.7 | 167.7 | -81.4 | 0 | 0 | 0 | 0 | 110.1 | A206 | A206-S208 PolarHBondContact O-N 3.46Š| ||
| 209 | Y | 33.7 | Very low | 34.4 | Very low | 179 Ų | 179 | 124.4 Ų | 124.4 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | trans | -109.4 | 56.3 | 165.3 | -56.6 | -79.7 | 0 | 0 | 0 | 109.4 | G207 | G207-Y209 WeakPolarHBondContact O-CD2 3.49Å; G207-Y209 WeakPolarHBondContact O-CE2 3.24Å; G207-Y209 PolarHBondContact O-N 3.35Å | ||
| 210 | S | 33 | Very low | 34 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -106.2 | 106.9 | 175.1 | -59.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 211 | G | 31.6 | Very low | 34.1 | Very low | 70 Ų | 70 | 117.1 Ų | 117.1 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 122.8 | 71.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 212 | I | 33.7 | Very low | 33.9 | Very low | 109 Ų | 109 | 116.4 Ų | 116.4 | 56% | 0.559 | 75% | 0.749 | S | S | * | * | trans | -122.3 | 110.5 | 148.7 | -66.3 | 96.6 | 0 | 0 | 0 | 107.9 | R30 I214 | R30-I212 PolarHBondContact NH2-O 3.36Å; I212-I214 PolarHBondContact O-N 2.8Å | ||
| 213 | Q | 29.9 | Very low | 33.8 | Very low | 187 Ų | 187 | 118.9 Ų | 118.9 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 118.5 | 169.9 | -128.4 | 157.9 | -46.6 | 0 | 0 | 107.7 | ||
| 214 | I | 40.8 | Very low | 34.1 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 54% | 0.544 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -81.3 | 125.5 | 169.7 | -57.7 | 172.6 | 0 | 0 | 0 | 105.6 | I212 | I212-I214 PolarHBondContact O-N 2.8Š|
| 215 | P | 32.8 | Very low | 34.3 | Very low | 99 Ų | 99 | 115.1 Ų | 115.1 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -62 | 135.5 | 177 | -12.5 | 24.4 | 0 | 0 | 0 | 109.9 | G217 | P215-G217 PolarHBondContact O-N 3.05Š|
| 216 | P | 31.2 | Very low | 34.6 | Very low | 143 Ų | 143 | 115.2 Ų | 115.2 | 93% | 0.929 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 107.6 | 167.8 | -9.2 | 24 | 0 | 0 | 0 | 107.8 | ||
| 217 | G | 35.8 | Very low | 34.9 | Very low | 62 Ų | 62 | 119.3 Ų | 119.3 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152 | -6.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | P215 H219 | P215-G217 PolarHBondContact O-N 3.05Å; G217-H219 PolarHBondContact O-N 3.22Å |
| 218 | A | 35.9 | Very low | 35.8 | Very low | 89 Ų | 89 | 122.2 Ų | 122.2 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -75 | 15.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 219 | H | 37.8 | Very low | 36.4 | Very low | 178 Ų | 178 | 123 Ų | 123 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -102.2 | 81.3 | 174 | -69 | -67.2 | 0 | 0 | 0 | 109.9 | G217 | G217-H219 PolarHBondContact O-N 3.22Š| ||
| 220 | A | 35.2 | Very low | 36.6 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -153.2 | 116 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | A222 | A220-A222 PolarHBondContact O-N 3.28Š| ||
| 221 | P | 39.3 | Very low | 37 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -70.4 | 121.8 | 170.1 | 28.6 | -29 | 0 | 0 | 0 | 108.7 | N223 | P221-N223 PolarHBondContact O-N 3.45Š| ||
| 222 | A | 30.2 | Very low | 37.4 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -69.6 | 94.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | A220 | A220-A222 PolarHBondContact O-N 3.28Š| ||
| 223 | N | 35.3 | Very low | 37.8 | Very low | 158 Ų | 158 | 124 Ų | 124 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -166.1 | 77.8 | 157.2 | -105.6 | -11.8 | 0 | 0 | 0 | 110.4 | P221 | P221-N223 PolarHBondContact O-N 3.45Š| ||
| 224 | T | 37.9 | Very low | 38.4 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -133.7 | 122.3 | 151.6 | 44.6 | 0 | 0 | 0 | 0 | 107.5 | A226 | T224-A226 PolarHBondContact O-N 3.11Š| ||
| 225 | P | 39.4 | Very low | 38.4 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -57.5 | 135.3 | 177.1 | -23.3 | 33.3 | 0 | 0 | 0 | 110.8 | E227 | P225-E227 PolarHBondContact O-N 3.42Å; P225-E227 VanDerWaalsContact O-N 3.12Å | ||
| 226 | A | 38.2 | Very low | 38.8 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -52.9 | 114.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T224 V228 | T224-A226 PolarHBondContact O-N 3.11Å; A226-V228 PolarHBondContact O-N 3.31Å | ||
| 227 | E | 36.2 | Very low | 39.5 | Very low | 177 Ų | 177 | 124 Ų | 124 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -76.1 | 113.4 | 163.6 | -163.8 | 172.2 | 164.3 | 0 | 0 | 107.7 | P225 | P225-E227 PolarHBondContact O-N 3.42Å; P225-E227 VanDerWaalsContact O-N 3.12Å | ||
| 228 | V | 52.5 | Low | 39.5 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74 | 142.2 | 179.3 | -95.1 | 0 | 0 | 0 | 0 | 111 | A226 | A226-V228 PolarHBondContact O-N 3.31Š|
| 229 | P | 45 | Very low | 40 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 143.4 | -175.2 | -7.3 | 24.5 | 0 | 0 | 0 | 112.2 | ||
| 230 | H | 36.6 | Very low | 40.1 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 127 | 175 | -69.4 | 50.9 | 0 | 0 | 0 | 111.5 | ||
| 231 | S | 42.6 | Very low | 40.4 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -147.7 | 104.7 | 156.1 | -100 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 232 | T | 40.2 | Very low | 40.9 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | trans | 9.5 | 122.4 | 140.7 | 48.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 233 | G | 40.8 | Very low | 41.3 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 162.6 | 82.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 234 | V | 42.7 | Very low | 41.8 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | 57.2 | 130 | 138.2 | -127.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 235 | T | 41.6 | Very low | 41.8 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | 78.5 | 101.9 | 145 | 45.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 236 | S | 41.4 | Very low | 42.3 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | 30.9 | 117.7 | 125.2 | -45.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 237 | N | 44.1 | Very low | 42.7 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | -173.2 | 142.6 | 108.9 | -98.8 | -15.7 | 0 | 0 | 0 | 112.9 | |||||
| 238 | A | 37 | Very low | 42.9 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -83.4 | 143.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 239 | V | 45.3 | Very low | 42.9 | Very low | 146 Ų | 146 | 130 Ų | 130 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -150.2 | 123 | 145.2 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 240 | Q | 41.4 | Very low | 43.2 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -96 | 152.5 | 170.3 | -166.3 | -176.3 | -13.4 | 0 | 0 | 108.7 | ||||
| 241 | P | 41.5 | Very low | 43.8 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | -149.8 | 149 | 112.4 | 33.4 | -14 | 0 | 0 | 0 | 117.6 | |||||
| 242 | S | 49.9 | Very low | 44.2 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | 63.1 | 122.7 | 149.1 | 44.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 243 | P | 37.2 | Very low | 44.8 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 128.1 | 172.3 | 34.6 | -27.1 | 0 | 0 | 0 | 111.7 | ||
| 244 | Q | 45.1 | Very low | 45.2 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 132.2 | 167.7 | -79.1 | -174.6 | -22.8 | 0 | 0 | 111 | ||
| 245 | T | 37.9 | Very low | 45.5 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 124.9 | -178.3 | -41.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 246 | V | 51.6 | Low | 45.8 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -132 | 136.1 | 164.7 | -168.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 247 | P | 45.4 | Very low | 46.2 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -72 | 149.7 | -169.9 | -12.6 | 28.8 | 0 | 0 | 0 | 113.5 | ||
| 248 | A | 40.2 | Very low | 45.9 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 128.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 249 | I | 53.6 | Low | 46.1 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 132.7 | 162 | -53.4 | 170.8 | 0 | 0 | 0 | 106.9 | A251 | I249-A251 PolarHBondContact O-N 2.72Š|
| 250 | P | 50.4 | Low | 45.7 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 132.5 | 177.8 | -16.3 | 29.1 | 0 | 0 | 0 | 110.4 | I252 | P250-I252 PolarHBondContact O-N 2.74Š|
| 251 | A | 48.9 | Very low | 45.8 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 125.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I249 D253 | I249-A251 PolarHBondContact O-N 2.72Å; A251-D253 PolarHBondContact O-N 3.42Å |
| 252 | I | 52.7 | Low | 46 | Very low | 148 Ų | 148 | 126 Ų | 126 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 116.4 | 164.9 | -63.8 | 168.1 | 0 | 0 | 0 | 105.8 | P250 P254 | P250-I252 PolarHBondContact O-N 2.74Å; I252-P254 VanDerWaalsContact O-CD 3.29Å; I252-P254 WeakPolarHBondContact O-CD 3.46Å |
| 253 | D | 51.4 | Low | 46.4 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 118.6 | 178.6 | -104.9 | -40.8 | 0 | 0 | 0 | 110.6 | A251 D255 | A251-D253 PolarHBondContact O-N 3.42Å; D253-D255 PolarHBondContact O-N 3.42Å; D253-D255 VanDerWaalsContact O-N 3.1Å |
| 254 | P | 50.1 | Low | 47.7 | Very low | 98 Ų | 98 | 126.3 Ų | 126.3 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -66.1 | -5.4 | 176.3 | -19.2 | 32.1 | 0 | 0 | 0 | 114.1 | I252 L256 | I252-P254 VanDerWaalsContact O-CD 3.29Å; I252-P254 WeakPolarHBondContact O-CD 3.46Å; P254-L256 VanDerWaalsContact C-N 3.31Å; P254-L256 PolarHBondContact O-N 3.21Å |
| 255 | D | 48.1 | Very low | 49.2 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -78.6 | -9.2 | -178.4 | -82.6 | -21.2 | 0 | 0 | 0 | 114.4 | D253 Y257 | D253-D255 PolarHBondContact O-N 3.42Å; D253-D255 VanDerWaalsContact O-N 3.1Å; D255-Y257 VanDerWaalsContact C-N 3.28Å; D255-Y257 PolarHBondContact O-N 2.88Å |
| 256 | L | 49.1 | Very low | 51.3 | Low | 123 Ų | 123 | 123 Ų | 123 | 64% | 0.644 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -79 | -6.2 | 178.2 | -101 | 147.4 | 0 | 0 | 0 | 114.6 | P254 | P254-L256 VanDerWaalsContact C-N 3.31Å; P254-L256 PolarHBondContact O-N 3.21Å |
| 257 | Y | 49.1 | Very low | 53 | Low | 209 Ų | 209 | 119.7 Ų | 119.7 | 82% | 0.82 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -111 | 3.3 | -179.6 | -69.8 | -79.2 | 0 | 0 | 0 | 114.5 | D255 | D255-Y257 VanDerWaalsContact C-N 3.28Å; D255-Y257 PolarHBondContact O-N 2.88Å |
| 258 | T | 37.7 | Very low | 54.8 | Low | 110 Ų | 110 | 119.4 Ų | 119.4 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | trans | -120.5 | 3.8 | -172.1 | -40.8 | 0 | 0 | 0 | 0 | 114.3 | S260 | T258-S260 VanDerWaalsContact C-N 3.33Å; T258-S260 PolarHBondContact O-N 3.23Å | ||
| 259 | A | 40.4 | Very low | 57.1 | Low | 91 Ų | 91 | 121.5 Ų | 121.5 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | trans | -79.1 | 83.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 260 | S | 38.7 | Very low | 58.8 | Low | 100 Ų | 100 | 114.5 Ų | 114.5 | 70% | 0.699 | 64% | 0.638 | S | S | * | * | trans | 16.6 | 122.5 | 145.9 | 58.2 | 0 | 0 | 0 | 0 | 117.8 | T258 G262 | T258-S260 VanDerWaalsContact C-N 3.33Å; T258-S260 PolarHBondContact O-N 3.23Å; S260-G262 PolarHBondContact O-N 2.88Å | ||
| 261 | Q | 43.7 | Very low | 60.7 | Low | 213 Ų | 213 | 114.4 Ų | 114.4 | 100% | 0.995 | 63% | 0.626 | S | S | * | * | trans | -50.1 | 76 | 153.2 | -66.3 | 174.7 | -27.5 | 0 | 0 | 111.6 | ||||
| 262 | G | 45.7 | Very low | 62.7 | Low | 47 Ų | 47 | 112.8 Ų | 112.8 | 49% | 0.485 | 61% | 0.613 | S | S | . | * | trans | -118.8 | 98.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S260 V264 | S260-G262 PolarHBondContact O-N 2.88Å; G262-V264 VanDerWaalsContact C-N 3.31Å; G262-V264 WeakPolarHBondContact O-CG2 3.47Å; G262-V264 PolarHBondContact O-N 3.04Å | ||
| 263 | D | 57.1 | Low | 64.5 | Low | 164 Ų | 164 | 109.9 Ų | 109.9 | 88% | 0.877 | 59% | 0.592 | S | S | * | * | trans | 1.2 | 67 | 165.6 | -157 | 24.9 | 0 | 0 | 0 | 116.9 | R265 | D263-R265 PolarHBondContact O-N 2.86Å; D263-R265 VanDerWaalsContact O-N 3.11Å | ||
| 264 | V | 64.3 | Low | 66.5 | Low | 62 Ų | 62 | 104.8 Ų | 104.8 | 38% | 0.376 | 57% | 0.566 | S | S | . | * | trans | -78.1 | 99.6 | 171.6 | -178.5 | 0 | 0 | 0 | 0 | 106.7 | G262 L266 T305 | G262-V264 VanDerWaalsContact C-N 3.31Å; G262-V264 WeakPolarHBondContact O-CG2 3.47Å; G262-V264 PolarHBondContact O-N 3.04Å; V264-L266 VanDerWaalsContact C-N 3.28Å; V264-L266 HydrophobicContact CG1-CD2 3.79Å; V264-L266 HydrophobicContact CG1-CG 4.05Å; V264-L266 PolarHBondContact O-N 3.06Å; V264-T305 WeakPolarHBondContact CG2-O 3.16Å | ||
| 265 | R | 77.4 | Confident | 68.5 | Low | 228 Ų | 228 | 106.4 Ų | 106.4 | 86% | 0.86 | 57% | 0.565 | S | S | * | * | trans | -73 | 85.2 | 174.3 | -169.8 | 177.9 | 178.9 | -176.1 | -0.3 | 110 | D263 | D263-R265 PolarHBondContact O-N 2.86Å; D263-R265 VanDerWaalsContact O-N 3.11Å | ||
| 266 | L | 82.1 | Confident | 70.7 | Confident | 37 Ų | 37 | 105.6 Ų | 105.6 | 19% | 0.194 | 56% | 0.555 | C | S | . | * | trans | -66.8 | 134.6 | 172.7 | -63.6 | 170.9 | 0 | 0 | 0 | 110.2 | V264 D270 F271 L303 L304 | V264-L266 VanDerWaalsContact C-N 3.28Å; V264-L266 HydrophobicContact CG1-CD2 3.79Å; V264-L266 HydrophobicContact CG1-CG 4.05Å; V264-L266 PolarHBondContact O-N 3.06Å; L266-D270 HydrophobicContact CB-CB 4.3Å; L266-D270 HydrophobicContact CD2-CB 3.97Å; L266-F271 HydrophobicContact CB-CD2 4.2Å; L266-F271 HydrophobicContact CB-CE2 3.51Å; L266-F271 HydrophobicContact CB-CZ 3.76Å; L266-F271 HydrophobicContact CD1-CE1 3.95Å; L266-F271 HydrophobicContact CD1-CE2 4.3Å; L266-F271 HydrophobicContact CD1-CZ 3.69Å; L266-F271 HydrophobicContact CG-CZ 4.39Å; L266-L303 WeakPolarHBondContact CD2-O 3.42Å; L266-L304 HydrophobicContact CD1-CD2 3.97Å | ||
| 267 | T | 86.4 | Confident | 73 | Confident | 58 Ų | 58 | 101.5 Ų | 101.5 | 36% | 0.356 | 53% | 0.531 | S | S | . | . | trans | -86.9 | 159.5 | 172.9 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | E269 D270 F271 | T267-E269 PolarHBondContact O-N 2.97Å; T267-E269 VanDerWaalsContact O-N 3.13Å; T267-D270 WeakPolarHBondContact CB-OD2 3.43Å; T267-D270 PolarHBondContact N-OD2 2.72Å; T267-D270 WeakPolarHBondContact O-CB 3.32Å; T267-D270 PolarHBondContact O-N 2.96Å; T267-D270 PolarHBondContact OG1-N 2.96Å; T267-D270 PolarHBondContact OG1-OD2 3.29Å; T267-F271 VanDerWaalsContact O-CD2 3.24Å; T267-F271 WeakPolarHBondContact O-CD2 3.44Å; T267-F271 PolarHBondContact O-N 2.84Å | ||
| 268 | P | 84.8 | Confident | 75.2 | Confident | 112 Ų | 112 | 94.5 Ų | 94.5 | 73% | 0.727 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -53.4 | -31 | 171.2 | -27 | 35.7 | 0 | 0 | 0 | 113.4 | F271 A272 | P268-F271 PolarHBondContact O-N 3.1Å; P268-A272 WeakPolarHBondContact O-CB 3.42Å; P268-A272 PolarHBondContact O-N 2.83Å |
| 269 | E | 87.5 | Confident | 77.9 | Confident | 144 Ų | 144 | 96.8 Ų | 96.8 | 67% | 0.673 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.5 | -35.5 | 175.7 | -64.6 | 172.4 | -174 | 0 | 0 | 112 | T267 A272 R273 | T267-E269 PolarHBondContact O-N 2.97Å; T267-E269 VanDerWaalsContact O-N 3.13Å; E269-A272 PolarHBondContact O-N 3.25Å; E269-R273 WeakPolarHBondContact O-CB 3.31Å; E269-R273 WeakPolarHBondContact O-CG 3.45Å; E269-R273 PolarHBondContact O-N 2.88Å |
| 270 | D | 90 | Very high | 80.5 | Confident | 11 Ų | 11 | 97.7 Ų | 97.7 | 6% | 0.059 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 174 | -59 | -41.5 | 0 | 0 | 0 | 111.2 | L266 T267 R273 A274 L303 | L266-D270 HydrophobicContact CB-CB 4.3Å; L266-D270 HydrophobicContact CD2-CB 3.97Å; T267-D270 WeakPolarHBondContact CB-OD2 3.43Å; T267-D270 PolarHBondContact N-OD2 2.72Å; T267-D270 WeakPolarHBondContact O-CB 3.32Å; T267-D270 PolarHBondContact O-N 2.96Å; T267-D270 PolarHBondContact OG1-N 2.96Å; T267-D270 PolarHBondContact OG1-OD2 3.29Å; D270-R273 PolarHBondContact O-N 3.03Å; D270-R273 IonicContact OD1-CZ 3.76Å; D270-R273 IonicContact OD1-NE 3.59Å; D270-R273 IonicContact OD1-NH2 2.74Å; D270-R273 PolarHBondContact OD1-NH2 3.2Å; D270-A274 WeakPolarHBondContact O-CB 3.41Å; D270-A274 PolarHBondContact O-N 3.45Å; D270-L303 HydrophobicContact CB-CD1 4.39Å; D270-L303 HydrophobicContact CB-CG 4.44Å; D270-L303 VanDerWaalsContact O-CD2 3.31Å; D270-L303 WeakPolarHBondContact O-CD2 3.12Å |
| 271 | F | 89.4 | Confident | 83.2 | Confident | 112 Ų | 112 | 93 Ų | 93 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 175.2 | -72.1 | -74.7 | 0 | 0 | 0 | 112 | L266 T267 P268 R273 A274 Q275 L304 | L266-F271 HydrophobicContact CB-CD2 4.2Å; L266-F271 HydrophobicContact CB-CE2 3.51Å; L266-F271 HydrophobicContact CB-CZ 3.76Å; L266-F271 HydrophobicContact CD1-CE1 3.95Å; L266-F271 HydrophobicContact CD1-CE2 4.3Å; L266-F271 HydrophobicContact CD1-CZ 3.69Å; L266-F271 HydrophobicContact CG-CZ 4.39Å; T267-F271 VanDerWaalsContact O-CD2 3.24Å; T267-F271 WeakPolarHBondContact O-CD2 3.44Å; T267-F271 PolarHBondContact O-N 2.84Å; P268-F271 PolarHBondContact O-N 3.1Å; F271-R273 VanDerWaalsContact C-N 3.31Å; F271-R273 PolarHBondContact O-N 3.42Å; F271-A274 PolarHBondContact O-N 3.42Å; F271-Q275 WeakPolarHBondContact O-CB 3.19Å; F271-Q275 PolarHBondContact O-N 3.41Å; F271-L304 HydrophobicContact CD1-CD2 4.39Å; F271-L304 HydrophobicContact CE1-CD2 4.42Å |
| 272 | A | 90.3 | Very high | 85.6 | Confident | 60 Ų | 60 | 84.9 Ų | 84.9 | 50% | 0.496 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P268 E269 K276 | P268-A272 WeakPolarHBondContact O-CB 3.42Å; P268-A272 PolarHBondContact O-N 2.83Å; E269-A272 PolarHBondContact O-N 3.25Å; A272-K276 PolarHBondContact O-N 3.28Å |
| 273 | R | 91.1 | Very high | 88 | Confident | 87 Ų | 87 | 85.3 Ų | 85.3 | 33% | 0.328 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.7 | -44.5 | 174.6 | -77 | -172.1 | -69.1 | 176.6 | -7.4 | 112.4 | E269 D270 F271 Q275 K276 Y277 L303 E309 | E269-R273 WeakPolarHBondContact O-CB 3.31Å; E269-R273 WeakPolarHBondContact O-CG 3.45Å; E269-R273 PolarHBondContact O-N 2.88Å; D270-R273 PolarHBondContact O-N 3.03Å; D270-R273 IonicContact OD1-CZ 3.76Å; D270-R273 IonicContact OD1-NE 3.59Å; D270-R273 IonicContact OD1-NH2 2.74Å; D270-R273 PolarHBondContact OD1-NH2 3.2Å; F271-R273 VanDerWaalsContact C-N 3.31Å; F271-R273 PolarHBondContact O-N 3.42Å; R273-Q275 VanDerWaalsContact C-N 3.32Å; R273-Q275 PolarHBondContact O-N 3.23Å; R273-K276 WeakPolarHBondContact O-CB 3.5Å; R273-K276 PolarHBondContact O-N 3.4Å; R273-K276 VanDerWaalsContact O-N 3.14Å; R273-Y277 WeakPolarHBondContact O-CD2 3.46Å; R273-Y277 PolarHBondContact O-N 3.39Å; R273-L303 HydrophobicContact CB-CD2 3.57Å; R273-E309 IonicContact CZ-OE1 2.72Å; R273-E309 IonicContact NH1-OE1 3.3Å; R273-E309 PolarHBondContact NH1-OE1 3.42Å |
| 274 | A | 92.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D270 F271 K276 Y277 C278 L303 L304 | D270-A274 WeakPolarHBondContact O-CB 3.41Å; D270-A274 PolarHBondContact O-N 3.45Å; F271-A274 PolarHBondContact O-N 3.42Å; A274-K276 VanDerWaalsContact C-N 3.3Å; A274-K276 PolarHBondContact O-N 3.44Å; A274-Y277 PolarHBondContact O-N 2.81Å; A274-C278 PolarHBondContact O-N 3.45Å; A274-C278 PolarHBondContact O-SG 3.41Å; A274-C278 VanDerWaalsContact O-SG 3.38Å; A274-L303 HydrophobicContact CB-CD2 4.19Å; A274-L304 HydrophobicContact CB-CD1 4.15Å; A274-L304 HydrophobicContact CB-CD2 3.73Å; A274-L304 HydrophobicContact CB-CG 3.84Å |
| 275 | Q | 93 | Very high | 91.1 | Very high | 132 Ų | 132 | 80 Ų | 80 | 62% | 0.617 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.3 | -39.6 | 175.3 | -173.8 | 177.6 | -14.6 | 0 | 0 | 112 | F271 R273 C278 K279 | F271-Q275 WeakPolarHBondContact O-CB 3.19Å; F271-Q275 PolarHBondContact O-N 3.41Å; R273-Q275 VanDerWaalsContact C-N 3.32Å; R273-Q275 PolarHBondContact O-N 3.23Å; Q275-C278 PolarHBondContact O-N 2.94Å; Q275-K279 PolarHBondContact O-N 3.38Å |
| 276 | K | 95 | Very high | 91.9 | Very high | 113 Ų | 113 | 76.6 Ų | 76.6 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 175 | -172.7 | 178.4 | 179.2 | -178.9 | 0 | 111.9 | A272 R273 A274 K279 Y280 | A272-K276 PolarHBondContact O-N 3.28Å; R273-K276 WeakPolarHBondContact O-CB 3.5Å; R273-K276 PolarHBondContact O-N 3.4Å; R273-K276 VanDerWaalsContact O-N 3.14Å; A274-K276 VanDerWaalsContact C-N 3.3Å; A274-K276 PolarHBondContact O-N 3.44Å; K276-K279 PolarHBondContact O-N 2.93Å; K276-Y280 HydrophobicContact CD-CE2 4.2Å; K276-Y280 WeakPolarHBondContact CE-OH 3.44Å; K276-Y280 HydrophobicContact CG-CD2 4.31Å; K276-Y280 HydrophobicContact CG-CE1 4.38Å; K276-Y280 HydrophobicContact CG-CE2 3.79Å; K276-Y280 PolarHBondContact O-N 3.17Å |
| 277 | Y | 95.7 | Very high | 92.4 | Very high | 37 Ų | 37 | 84 Ų | 84 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.4 | -69.8 | -48.9 | 0 | 0 | 0 | 112 | R273 A274 K279 Y280 A281 K299 L303 | R273-Y277 WeakPolarHBondContact O-CD2 3.46Å; R273-Y277 PolarHBondContact O-N 3.39Å; A274-Y277 PolarHBondContact O-N 2.81Å; Y277-K279 VanDerWaalsContact C-N 3.33Å; Y277-K279 PolarHBondContact O-N 3.19Å; Y277-Y280 PolarHBondContact O-N 3.16Å; Y277-A281 PolarHBondContact O-N 2.99Å; Y277-K299 HydrophobicContact CD1-CB 4.03Å; Y277-K299 HydrophobicContact CD1-CD 4.11Å; Y277-K299 HydrophobicContact CD2-CB 3.98Å; Y277-K299 HydrophobicContact CE1-CB 4.04Å; Y277-K299 HydrophobicContact CE1-CD 3.68Å; Y277-K299 HydrophobicContact CE1-CG 4.48Å; Y277-K299 HydrophobicContact CE2-CB 3.98Å; Y277-K299 HydrophobicContact CG-CB 4.02Å; Y277-L303 HydrophobicContact CD2-CD2 4.5Å; Y277-L303 HydrophobicContact CE2-CD2 4.24Å |
| 278 | C | 95.6 | Very high | 92.6 | Very high | 62 Ų | 62 | 89.6 Ų | 89.6 | 42% | 0.419 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 174.8 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | A274 Q275 A281 G282 | A274-C278 PolarHBondContact O-N 3.45Å; A274-C278 PolarHBondContact O-SG 3.41Å; A274-C278 VanDerWaalsContact O-SG 3.38Å; Q275-C278 PolarHBondContact O-N 2.94Å; C278-A281 PolarHBondContact O-N 2.92Å; C278-G282 PolarHBondContact O-N 3.01Å |
| 279 | K | 94.5 | Very high | 93.1 | Very high | 157 Ų | 157 | 87.4 Ų | 87.4 | 68% | 0.683 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.1 | -39.6 | 175.7 | -172.5 | 174.1 | -179.2 | 173.4 | 0 | 112.3 | Q275 K276 Y277 G282 S283 | Q275-K279 PolarHBondContact O-N 3.38Å; K276-K279 PolarHBondContact O-N 2.93Å; Y277-K279 VanDerWaalsContact C-N 3.33Å; Y277-K279 PolarHBondContact O-N 3.19Å; K279-G282 PolarHBondContact O-N 3.25Å; K279-S283 PolarHBondContact O-N 3.42Å; K279-S283 PolarHBondContact O-OG 3.12Å |
| 280 | Y | 95.5 | Very high | 93.4 | Very high | 111 Ų | 111 | 85.1 Ų | 85.1 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 175.2 | -68 | -18.3 | 0 | 0 | 0 | 112.5 | K276 Y277 S283 A284 | K276-Y280 HydrophobicContact CD-CE2 4.2Å; K276-Y280 WeakPolarHBondContact CE-OH 3.44Å; K276-Y280 HydrophobicContact CG-CD2 4.31Å; K276-Y280 HydrophobicContact CG-CE1 4.38Å; K276-Y280 HydrophobicContact CG-CE2 3.79Å; K276-Y280 PolarHBondContact O-N 3.17Å; Y277-Y280 PolarHBondContact O-N 3.16Å; Y280-S283 PolarHBondContact O-N 3.46Å; Y280-A284 WeakPolarHBondContact O-CB 3.36Å; Y280-A284 PolarHBondContact O-N 2.79Å |
| 281 | A | 96.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 89 Ų | 89 | 2% | 0.017 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y277 C278 S283 A284 L285 N296 L297 | Y277-A281 PolarHBondContact O-N 2.99Å; C278-A281 PolarHBondContact O-N 2.92Å; A281-S283 VanDerWaalsContact C-N 3.31Å; A281-S283 PolarHBondContact O-N 3Å; A281-A284 PolarHBondContact O-N 2.83Å; A281-L285 WeakPolarHBondContact O-CG 3.32Å; A281-L285 PolarHBondContact O-N 2.85Å; A281-N296 HydrophobicContact CB-CB 3.95Å; A281-L297 HydrophobicContact CB-CD1 4.49Å; A281-L297 HydrophobicContact CB-CD2 3.85Å; A281-L297 HydrophobicContact CB-CG 3.72Å |
| 282 | G | 93.7 | Very high | 93.9 | Very high | 41 Ų | 41 | 86 Ų | 86 | 42% | 0.423 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C278 K279 L285 Q286 | C278-G282 PolarHBondContact O-N 3.01Å; K279-G282 PolarHBondContact O-N 3.25Å; G282-L285 PolarHBondContact O-N 2.83Å; G282-Q286 PolarHBondContact O-N 3.49Å |
| 283 | S | 94.7 | Very high | 94.2 | Very high | 57 Ų | 57 | 83.2 Ų | 83.2 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 176.3 | -54.6 | 0 | 0 | 0 | 0 | 112 | K279 Y280 A281 L285 Q286 Y287 | K279-S283 PolarHBondContact O-N 3.42Å; K279-S283 PolarHBondContact O-OG 3.12Å; Y280-S283 PolarHBondContact O-N 3.46Å; A281-S283 VanDerWaalsContact C-N 3.31Å; A281-S283 PolarHBondContact O-N 3Å; S283-L285 VanDerWaalsContact C-N 3.34Å; S283-L285 PolarHBondContact O-N 2.93Å; S283-Q286 WeakPolarHBondContact O-CB 3.48Å; S283-Q286 PolarHBondContact O-N 2.73Å; S283-Y287 VanDerWaalsContact O-CD2 3.25Å; S283-Y287 WeakPolarHBondContact O-CD2 3.37Å |
| 284 | A | 94.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 82.2 Ų | 82.2 | 7% | 0.066 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y280 A281 Q286 Y287 E288 D289 T292 A293 | Y280-A284 WeakPolarHBondContact O-CB 3.36Å; Y280-A284 PolarHBondContact O-N 2.79Å; A281-A284 PolarHBondContact O-N 2.83Å; A284-Q286 PolarHBondContact O-N 2.85Å; A284-Y287 CarbonylContact O-C 3.43Å; A284-Y287 PolarHBondContact O-N 3.13Å; A284-Y287 VanDerWaalsContact O-N 3.09Å; A284-E288 PolarHBondContact O-N 2.93Å; A284-D289 HydrophobicContact CB-CB 4.34Å; A284-D289 PolarHBondContact O-N 3.49Å; A284-T292 HydrophobicContact CB-CG2 3.81Å; A284-A293 HydrophobicContact CB-CB 4.02Å |
| 285 | L | 94 | Very high | 94.6 | Very high | 107 Ų | 107 | 86.6 Ų | 86.6 | 56% | 0.56 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.8 | -32.5 | 174.6 | -68.8 | 172.2 | 0 | 0 | 0 | 112.4 | A281 G282 S283 Y287 E288 A293 | A281-L285 WeakPolarHBondContact O-CG 3.32Å; A281-L285 PolarHBondContact O-N 2.85Å; G282-L285 PolarHBondContact O-N 2.83Å; S283-L285 VanDerWaalsContact C-N 3.34Å; S283-L285 PolarHBondContact O-N 2.93Å; L285-Y287 PolarHBondContact O-N 2.87Å; L285-E288 PolarHBondContact O-N 3.22Å; L285-A293 HydrophobicContact CD2-CB 3.72Å; L285-A293 HydrophobicContact CG-CB 3.88Å |
| 286 | Q | 92.6 | Very high | 94.7 | Very high | 156 Ų | 156 | 80.9 Ų | 80.9 | 73% | 0.729 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.6 | -22.9 | 176 | -167.3 | 60.7 | 45.7 | 0 | 0 | 113.2 | G282 S283 A284 | G282-Q286 PolarHBondContact O-N 3.49Å; S283-Q286 WeakPolarHBondContact O-CB 3.48Å; S283-Q286 PolarHBondContact O-N 2.73Å; A284-Q286 PolarHBondContact O-N 2.85Å |
| 287 | Y | 93.2 | Very high | 94.8 | Very high | 193 Ų | 193 | 79.8 Ų | 79.8 | 76% | 0.757 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 14.9 | 177.3 | -63.6 | -79.7 | 0 | 0 | 0 | 112.7 | S283 A284 L285 D289 | S283-Y287 VanDerWaalsContact O-CD2 3.25Å; S283-Y287 WeakPolarHBondContact O-CD2 3.37Å; A284-Y287 CarbonylContact O-C 3.43Å; A284-Y287 PolarHBondContact O-N 3.13Å; A284-Y287 VanDerWaalsContact O-N 3.09Å; L285-Y287 PolarHBondContact O-N 2.87Å; Y287-D289 PolarHBondContact O-N 3.39Å |
| 288 | E | 91.4 | Very high | 94.8 | Very high | 175 Ų | 175 | 83.9 Ų | 83.9 | 82% | 0.818 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 22 | -177.9 | -54.9 | -176.2 | 154.2 | 0 | 0 | 114 | A284 L285 V290 | A284-E288 PolarHBondContact O-N 2.93Å; L285-E288 PolarHBondContact O-N 3.22Å; E288-V290 VanDerWaalsContact C-N 3.32Å; E288-V290 PolarHBondContact O-N 3.37Å |
| 289 | D | 93.9 | Very high | 94.7 | Very high | 65 Ų | 65 | 84.1 Ų | 84.1 | 35% | 0.348 | 43% | 0.43 | S | S | . | . | trans | -84.7 | 77.9 | 176.7 | -173 | -9.8 | 0 | 0 | 0 | 110.2 | A284 Y287 S291 T292 A293 | A284-D289 HydrophobicContact CB-CB 4.34Å; A284-D289 PolarHBondContact O-N 3.49Å; Y287-D289 PolarHBondContact O-N 3.39Å; D289-S291 PolarHBondContact O-N 2.89Å; D289-S291 PolarHBondContact OD1-N 3.11Å; D289-T292 PolarHBondContact O-N 3.35Å; D289-T292 WeakPolarHBondContact OD1-CB 3.32Å; D289-T292 PolarHBondContact OD1-N 3.13Å; D289-T292 PolarHBondContact OD1-OG1 3.27Å; D289-T292 WeakPolarHBondContact OD2-CB 3.24Å; D289-T292 PolarHBondContact OD2-OG1 2.98Å; D289-A293 WeakPolarHBondContact O-CB 3.45Å; D289-A293 PolarHBondContact O-N 3.11Å | ||
| 290 | V | 94.5 | Very high | 94.8 | Very high | 97 Ų | 97 | 76.9 Ų | 76.9 | 59% | 0.588 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58.6 | -36.3 | -179.8 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | E288 A293 V294 | E288-V290 VanDerWaalsContact C-N 3.32Å; E288-V290 PolarHBondContact O-N 3.37Å; V290-A293 PolarHBondContact O-N 3.45Å; V290-V294 HydrophobicContact CG1-CG2 4.21Å; V290-V294 WeakPolarHBondContact O-CB 3.43Å; V290-V294 VanDerWaalsContact O-CG2 3.27Å; V290-V294 WeakPolarHBondContact O-CG2 3.38Å; V290-V294 PolarHBondContact O-N 3.5Å |
| 291 | S | 95.5 | Very high | 94.7 | Very high | 93 Ų | 93 | 76.1 Ų | 76.1 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65 | -49.2 | -178.3 | -170.5 | 0 | 0 | 0 | 0 | 111 | D289 A293 V294 Q295 | D289-S291 PolarHBondContact O-N 2.89Å; D289-S291 PolarHBondContact OD1-N 3.11Å; S291-A293 PolarHBondContact O-N 3.25Å; S291-V294 PolarHBondContact O-N 3.09Å; S291-Q295 WeakPolarHBondContact O-CB 3.28Å; S291-Q295 PolarHBondContact O-N 3.3Å |
| 292 | T | 94.8 | Very high | 94.5 | Very high | 47 Ų | 47 | 82.6 Ų | 82.6 | 29% | 0.288 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 177 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | A284 D289 Q295 N296 | A284-T292 HydrophobicContact CB-CG2 3.81Å; D289-T292 PolarHBondContact O-N 3.35Å; D289-T292 WeakPolarHBondContact OD1-CB 3.32Å; D289-T292 PolarHBondContact OD1-N 3.13Å; D289-T292 PolarHBondContact OD1-OG1 3.27Å; D289-T292 WeakPolarHBondContact OD2-CB 3.24Å; D289-T292 PolarHBondContact OD2-OG1 2.98Å; T292-Q295 PolarHBondContact O-N 3.19Å; T292-N296 WeakPolarHBondContact CG2-ND2 3.42Å; T292-N296 PolarHBondContact O-N 3.33Å; T292-N296 PolarHBondContact O-ND2 3.43Å |
| 293 | A | 95.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 80.7 Ų | 80.7 | 3% | 0.025 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.9 | -51.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A284 L285 D289 V290 S291 Q295 N296 L297 | A284-A293 HydrophobicContact CB-CB 4.02Å; L285-A293 HydrophobicContact CD2-CB 3.72Å; L285-A293 HydrophobicContact CG-CB 3.88Å; D289-A293 WeakPolarHBondContact O-CB 3.45Å; D289-A293 PolarHBondContact O-N 3.11Å; V290-A293 PolarHBondContact O-N 3.45Å; S291-A293 PolarHBondContact O-N 3.25Å; A293-Q295 VanDerWaalsContact C-N 3.34Å; A293-Q295 PolarHBondContact O-N 3.44Å; A293-N296 PolarHBondContact O-N 2.95Å; A293-L297 WeakPolarHBondContact O-CG 3.39Å; A293-L297 PolarHBondContact O-N 3.34Å |
| 294 | V | 96 | Very high | 94.3 | Very high | 66 Ų | 66 | 81.3 Ų | 81.3 | 40% | 0.4 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 111 | V290 S291 N296 L297 Q298 | V290-V294 HydrophobicContact CG1-CG2 4.21Å; V290-V294 WeakPolarHBondContact O-CB 3.43Å; V290-V294 VanDerWaalsContact O-CG2 3.27Å; V290-V294 WeakPolarHBondContact O-CG2 3.38Å; V290-V294 PolarHBondContact O-N 3.5Å; S291-V294 PolarHBondContact O-N 3.09Å; V294-N296 PolarHBondContact O-N 3.32Å; V294-L297 PolarHBondContact O-N 2.97Å; V294-Q298 HydrophobicContact CG1-CG 4.31Å; V294-Q298 WeakPolarHBondContact O-CB 3.19Å; V294-Q298 WeakPolarHBondContact O-CG 3.33Å; V294-Q298 PolarHBondContact O-N 3.17Å |
| 295 | Q | 96.5 | Very high | 94 | Very high | 96 Ų | 96 | 84.8 Ų | 84.8 | 45% | 0.449 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | -179.8 | -168.1 | -172.8 | 32.5 | 0 | 0 | 112.3 | S291 T292 A293 Q298 K299 | S291-Q295 WeakPolarHBondContact O-CB 3.28Å; S291-Q295 PolarHBondContact O-N 3.3Å; T292-Q295 PolarHBondContact O-N 3.19Å; A293-Q295 VanDerWaalsContact C-N 3.34Å; A293-Q295 PolarHBondContact O-N 3.44Å; Q295-Q298 PolarHBondContact O-N 3.28Å; Q295-K299 WeakPolarHBondContact O-CG 3.43Å; Q295-K299 PolarHBondContact O-N 3.48Å; Q295-K299 VanDerWaalsContact O-N 3.08Å |
| 296 | N | 96.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 83 Ų | 83 | 7% | 0.07 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69 | -39.6 | 178.4 | -77.4 | -68.4 | 0 | 0 | 0 | 111.9 | A281 T292 A293 V294 Q298 K299 A300 | A281-N296 HydrophobicContact CB-CB 3.95Å; T292-N296 WeakPolarHBondContact CG2-ND2 3.42Å; T292-N296 PolarHBondContact O-N 3.33Å; T292-N296 PolarHBondContact O-ND2 3.43Å; A293-N296 PolarHBondContact O-N 2.95Å; V294-N296 PolarHBondContact O-N 3.32Å; N296-Q298 VanDerWaalsContact C-N 3.34Å; N296-Q298 PolarHBondContact O-N 3.19Å; N296-K299 PolarHBondContact O-N 3.32Å; N296-A300 PolarHBondContact O-N 3.48Å |
| 297 | L | 96.5 | Very high | 93.2 | Very high | 90 Ų | 90 | 76.8 Ų | 76.8 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 174.9 | -70.2 | 171.6 | 0 | 0 | 0 | 112.1 | A281 A293 V294 A300 L301 | A281-L297 HydrophobicContact CB-CD1 4.49Å; A281-L297 HydrophobicContact CB-CD2 3.85Å; A281-L297 HydrophobicContact CB-CG 3.72Å; A293-L297 WeakPolarHBondContact O-CG 3.39Å; A293-L297 PolarHBondContact O-N 3.34Å; V294-L297 PolarHBondContact O-N 2.97Å; L297-A300 PolarHBondContact O-N 3.1Å; L297-L301 WeakPolarHBondContact O-CB 3.33Å; L297-L301 PolarHBondContact O-N 3.37Å |
| 298 | Q | 95.7 | Very high | 92.4 | Very high | 122 Ų | 122 | 77 Ų | 77 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | 174.9 | -74.7 | 175.8 | -18.9 | 0 | 0 | 112.2 | V294 Q295 N296 L301 R302 | V294-Q298 HydrophobicContact CG1-CG 4.31Å; V294-Q298 WeakPolarHBondContact O-CB 3.19Å; V294-Q298 WeakPolarHBondContact O-CG 3.33Å; V294-Q298 PolarHBondContact O-N 3.17Å; Q295-Q298 PolarHBondContact O-N 3.28Å; N296-Q298 VanDerWaalsContact C-N 3.34Å; N296-Q298 PolarHBondContact O-N 3.19Å; Q298-L301 PolarHBondContact O-N 2.71Å; Q298-R302 WeakPolarHBondContact O-CB 3.3Å; Q298-R302 PolarHBondContact O-N 3.06Å |
| 299 | K | 94.2 | Very high | 91.4 | Very high | 68 Ų | 68 | 74.8 Ų | 74.8 | 30% | 0.296 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 173.8 | -72.5 | 174.2 | -176.6 | 173.6 | 0 | 111.9 | Y277 Q295 N296 R302 L303 | Y277-K299 HydrophobicContact CD1-CB 4.03Å; Y277-K299 HydrophobicContact CD1-CD 4.11Å; Y277-K299 HydrophobicContact CD2-CB 3.98Å; Y277-K299 HydrophobicContact CE1-CB 4.04Å; Y277-K299 HydrophobicContact CE1-CD 3.68Å; Y277-K299 HydrophobicContact CE1-CG 4.48Å; Y277-K299 HydrophobicContact CE2-CB 3.98Å; Y277-K299 HydrophobicContact CG-CB 4.02Å; Q295-K299 WeakPolarHBondContact O-CG 3.43Å; Q295-K299 PolarHBondContact O-N 3.48Å; Q295-K299 VanDerWaalsContact O-N 3.08Å; N296-K299 PolarHBondContact O-N 3.32Å; K299-R302 PolarHBondContact O-N 3.29Å; K299-L303 WeakPolarHBondContact O-CB 3.42Å; K299-L303 PolarHBondContact O-N 3.28Å |
| 300 | A | 94.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 75.3 Ų | 75.3 | 3% | 0.033 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | N296 L297 L303 L304 | N296-A300 PolarHBondContact O-N 3.48Å; L297-A300 PolarHBondContact O-N 3.1Å; A300-L303 PolarHBondContact O-N 2.87Å; A300-L304 WeakPolarHBondContact O-CB 3.47Å; A300-L304 VanDerWaalsContact O-CG 3.24Å; A300-L304 WeakPolarHBondContact O-CG 3.39Å; A300-L304 PolarHBondContact O-N 2.75Å |
| 301 | L | 94 | Very high | 91.1 | Very high | 95 Ų | 95 | 74.2 Ų | 74.2 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 179.6 | -174.8 | 63.8 | 0 | 0 | 0 | 111.6 | L297 Q298 L303 L304 T305 | L297-L301 WeakPolarHBondContact O-CB 3.33Å; L297-L301 PolarHBondContact O-N 3.37Å; Q298-L301 PolarHBondContact O-N 2.71Å; L301-L303 PolarHBondContact O-N 3.12Å; L301-L304 PolarHBondContact O-N 2.94Å; L301-T305 HydrophobicContact CD1-CG2 4.06Å; L301-T305 HydrophobicContact CG-CG2 4.42Å; L301-T305 WeakPolarHBondContact O-CB 3.23Å; L301-T305 VanDerWaalsContact O-CG2 3.31Å; L301-T305 WeakPolarHBondContact O-CG2 3.31Å; L301-T305 PolarHBondContact O-N 2.85Å; L301-T305 PolarHBondContact O-OG1 2.94Å |
| 302 | R | 92.3 | Very high | 90.8 | Very high | 139 Ų | 139 | 73.1 Ų | 73.1 | 53% | 0.525 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 176.6 | -176.4 | -179.9 | -74.2 | 155 | -1.5 | 111.8 | Q298 K299 L304 T305 T306 E309 | Q298-R302 WeakPolarHBondContact O-CB 3.3Å; Q298-R302 PolarHBondContact O-N 3.06Å; K299-R302 PolarHBondContact O-N 3.29Å; R302-L304 PolarHBondContact O-N 3.03Å; R302-T305 WeakPolarHBondContact CA-OG1 3.28Å; R302-T305 PolarHBondContact O-N 3.36Å; R302-T305 PolarHBondContact O-OG1 3.01Å; R302-T306 HydrophobicContact CG-CG2 4.28Å; R302-T306 WeakPolarHBondContact O-CB 3.31Å; R302-T306 PolarHBondContact O-N 3.44Å; R302-T306 PolarHBondContact O-OG1 3.33Å; R302-E309 VanDerWaalsContact CD-OXT 3.27Å; R302-E309 WeakPolarHBondContact CD-OXT 3.46Å |
| 303 | L | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 178 | -177.8 | 62.5 | 0 | 0 | 0 | 111.5 | L266 D270 R273 A274 Y277 K299 A300 L301 T305 G307 R308 | L266-L303 WeakPolarHBondContact CD2-O 3.42Å; D270-L303 HydrophobicContact CB-CD1 4.39Å; D270-L303 HydrophobicContact CB-CG 4.44Å; D270-L303 VanDerWaalsContact O-CD2 3.31Å; D270-L303 WeakPolarHBondContact O-CD2 3.12Å; R273-L303 HydrophobicContact CB-CD2 3.57Å; A274-L303 HydrophobicContact CB-CD2 4.19Å; Y277-L303 HydrophobicContact CD2-CD2 4.5Å; Y277-L303 HydrophobicContact CE2-CD2 4.24Å; K299-L303 WeakPolarHBondContact O-CB 3.42Å; K299-L303 PolarHBondContact O-N 3.28Å; A300-L303 PolarHBondContact O-N 2.87Å; L301-L303 PolarHBondContact O-N 3.12Å; L303-T305 VanDerWaalsContact C-N 3.31Å; L303-T305 PolarHBondContact O-N 2.9Å; L303-G307 VanDerWaalsContact O-CA 3.25Å; L303-G307 WeakPolarHBondContact O-CA 3.29Å; L303-G307 PolarHBondContact O-N 3.13Å; L303-R308 WeakPolarHBondContact CA-O 3.39Å |
| 304 | L | 91.7 | Very high | 90.3 | Very high | 70 Ų | 70 | 79.1 Ų | 79.1 | 37% | 0.366 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.2 | -25.6 | -179.3 | -68.6 | 172.7 | 0 | 0 | 0 | 113.4 | L266 F271 A274 A300 L301 R302 | L266-L304 HydrophobicContact CD1-CD2 3.97Å; F271-L304 HydrophobicContact CD1-CD2 4.39Å; F271-L304 HydrophobicContact CE1-CD2 4.42Å; A274-L304 HydrophobicContact CB-CD1 4.15Å; A274-L304 HydrophobicContact CB-CD2 3.73Å; A274-L304 HydrophobicContact CB-CG 3.84Å; A300-L304 WeakPolarHBondContact O-CB 3.47Å; A300-L304 VanDerWaalsContact O-CG 3.24Å; A300-L304 WeakPolarHBondContact O-CG 3.39Å; A300-L304 PolarHBondContact O-N 2.75Å; L301-L304 PolarHBondContact O-N 2.94Å; R302-L304 PolarHBondContact O-N 3.03Å |
| 305 | T | 89.4 | Confident | 89.9 | Confident | 81 Ų | 81 | 80 Ų | 80 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -96 | -24 | -178.7 | 50.6 | 0 | 0 | 0 | 0 | 114 | V264 L301 R302 L303 | V264-T305 WeakPolarHBondContact CG2-O 3.16Å; L301-T305 HydrophobicContact CD1-CG2 4.06Å; L301-T305 HydrophobicContact CG-CG2 4.42Å; L301-T305 WeakPolarHBondContact O-CB 3.23Å; L301-T305 VanDerWaalsContact O-CG2 3.31Å; L301-T305 WeakPolarHBondContact O-CG2 3.31Å; L301-T305 PolarHBondContact O-N 2.85Å; L301-T305 PolarHBondContact O-OG1 2.94Å; R302-T305 WeakPolarHBondContact CA-OG1 3.28Å; R302-T305 PolarHBondContact O-N 3.36Å; R302-T305 PolarHBondContact O-OG1 3.01Å; L303-T305 VanDerWaalsContact C-N 3.31Å; L303-T305 PolarHBondContact O-N 2.9Å |
| 306 | T | 86.9 | Confident | 89.4 | Confident | 69 Ų | 69 | 78.9 Ų | 78.9 | 42% | 0.423 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -121.5 | -14.5 | -174.5 | 69.8 | 0 | 0 | 0 | 0 | 113.9 | R302 R308 | R302-T306 HydrophobicContact CG-CG2 4.28Å; R302-T306 WeakPolarHBondContact O-CB 3.31Å; R302-T306 PolarHBondContact O-N 3.44Å; R302-T306 PolarHBondContact O-OG1 3.33Å; T306-R308 PolarHBondContact O-N 3.36Å; T306-R308 PolarHBondContact OG1-N 3.32Å; T306-R308 VanDerWaalsContact OG1-N 3.16Å; T306-R308 PolarHBondContact OG1-O 3.33Å; T306-R308 VanDerWaalsContact OG1-O 3.11Å |
| 307 | G | 82.6 | Confident | 88.9 | Confident | 26 Ų | 26 | 83.9 Ų | 83.9 | 27% | 0.268 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 66.7 | 14.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L303 | L303-G307 VanDerWaalsContact O-CA 3.25Å; L303-G307 WeakPolarHBondContact O-CA 3.29Å; L303-G307 PolarHBondContact O-N 3.13Å |
| 308 | R | 77.2 | Confident | 88.3 | Confident | 198 Ų | 198 | 83.4 Ų | 83.4 | 75% | 0.747 | 40% | 0.402 | S | S | * | . | trans | -135.7 | 152.1 | -177.6 | -61.2 | -178.6 | -176.9 | 175 | 1.7 | 110.6 | L303 T306 | L303-R308 WeakPolarHBondContact CA-O 3.39Å; T306-R308 PolarHBondContact O-N 3.36Å; T306-R308 PolarHBondContact OG1-N 3.32Å; T306-R308 VanDerWaalsContact OG1-N 3.16Å; T306-R308 PolarHBondContact OG1-O 3.33Å; T306-R308 VanDerWaalsContact OG1-O 3.11Å | ||
| 309 | E | 68.8 | Low | 87.6 | Confident | 129 Ų | 129 | 79.9 Ų | 79.9 | 60% | 0.603 | 39% | 0.387 | S | S | * | . | trans | -75.9 | 0 | 179.9 | -64.1 | -175.1 | 163 | 0 | 0 | 113.7 | R273 R302 | R273-E309 IonicContact CZ-OE1 2.72Å; R273-E309 IonicContact NH1-OE1 3.3Å; R273-E309 PolarHBondContact NH1-OE1 3.42Å; R302-E309 VanDerWaalsContact CD-OXT 3.27Å; R302-E309 WeakPolarHBondContact CD-OXT 3.46Å |
Retrieved 309 of 309 residues in 132.5 ms
(Link to these results)