| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 63.6 | Low | 85.6 | Confident | 216 Ų | 216 | 104.7 Ų | 104.7 | 100% | 1.064 | 59% | 0.588 | S | S | * | * | 0 | -23.4 | 0 | -73.2 | 170.7 | 175.9 | 0 | 0 | 113.9 | S3 | M1-S3 PolarHBondContact O-N 3.24Š| |||
| 2 | G | 78 | Confident | 86.1 | Confident | 42 Ų | 42 | 105 Ų | 105 | 43% | 0.433 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.1 | -31.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117 | K4 I5 I6 | G2-K4 VanDerWaalsContact C-N 3.34Å; G2-K4 PolarHBondContact O-N 2.86Å; G2-I5 PolarHBondContact O-N 3.25Å; G2-I5 VanDerWaalsContact O-N 3.15Å; G2-I6 WeakPolarHBondContact O-CG1 3.2Å; G2-I6 PolarHBondContact O-N 2.96Å; G2-I6 VanDerWaalsContact O-N 3.08Å |
| 3 | S | 82.8 | Confident | 86.8 | Confident | 93 Ų | 93 | 102.4 Ų | 102.4 | 65% | 0.65 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.6 | -38.6 | -176.7 | 53 | 0 | 0 | 0 | 0 | 113.7 | M1 I5 I6 A7 | M1-S3 PolarHBondContact O-N 3.24Å; S3-I5 VanDerWaalsContact C-N 3.34Å; S3-I5 PolarHBondContact O-N 3.34Å; S3-I6 PolarHBondContact O-N 2.79Å; S3-A7 WeakPolarHBondContact O-CB 3.45Å; S3-A7 PolarHBondContact O-N 2.94Å |
| 4 | K | 87.2 | Confident | 87.3 | Confident | 162 Ų | 162 | 100.9 Ų | 100.9 | 70% | 0.704 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.1 | -38.3 | 177.1 | -64.7 | -177.4 | 178.5 | -178.8 | 0 | 111.7 | G2 A7 L8 | G2-K4 VanDerWaalsContact C-N 3.34Å; G2-K4 PolarHBondContact O-N 2.86Å; K4-A7 PolarHBondContact O-N 3.18Å; K4-L8 VanDerWaalsContact O-CG 3.31Å; K4-L8 WeakPolarHBondContact O-CG 3.27Å; K4-L8 PolarHBondContact O-N 3.39Å |
| 5 | I | 88.6 | Confident | 87.9 | Confident | 102 Ų | 102 | 100.6 Ų | 100.6 | 52% | 0.523 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.1 | -45.5 | 179.7 | -62.1 | 169.4 | 0 | 0 | 0 | 109.9 | G2 S3 A7 L8 I9 | G2-I5 PolarHBondContact O-N 3.25Å; G2-I5 VanDerWaalsContact O-N 3.15Å; S3-I5 VanDerWaalsContact C-N 3.34Å; S3-I5 PolarHBondContact O-N 3.34Å; I5-A7 VanDerWaalsContact C-N 3.33Å; I5-A7 PolarHBondContact O-N 2.95Å; I5-L8 PolarHBondContact O-N 3.08Å; I5-I9 HydrophobicContact CG2-CD1 3.84Å; I5-I9 HydrophobicContact CG2-CG1 4.49Å; I5-I9 VanDerWaalsContact O-CG1 3.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.43Å |
| 6 | I | 87.8 | Confident | 88.3 | Confident | 111 Ų | 111 | 101 Ų | 101 | 57% | 0.569 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.6 | -44.2 | 176.5 | -62 | 164.3 | 0 | 0 | 0 | 110.4 | G2 S3 L8 I9 V10 | G2-I6 WeakPolarHBondContact O-CG1 3.2Å; G2-I6 PolarHBondContact O-N 2.96Å; G2-I6 VanDerWaalsContact O-N 3.08Å; S3-I6 PolarHBondContact O-N 2.79Å; I6-L8 VanDerWaalsContact C-N 3.33Å; I6-L8 PolarHBondContact O-N 3.23Å; I6-I9 PolarHBondContact O-N 3.46Å; I6-V10 WeakPolarHBondContact O-CG2 3.37Å; I6-V10 PolarHBondContact O-N 3.06Å |
| 7 | A | 87.6 | Confident | 88.8 | Confident | 49 Ų | 49 | 101.8 Ų | 101.8 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.5 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S3 K4 I5 V10 C11 | S3-A7 WeakPolarHBondContact O-CB 3.45Å; S3-A7 PolarHBondContact O-N 2.94Å; K4-A7 PolarHBondContact O-N 3.18Å; I5-A7 VanDerWaalsContact C-N 3.33Å; I5-A7 PolarHBondContact O-N 2.95Å; A7-V10 PolarHBondContact O-N 3.05Å; A7-C11 WeakPolarHBondContact O-CB 3.35Å; A7-C11 PolarHBondContact O-N 3.39Å; A7-C11 PolarHBondContact O-SG 2.81Å |
| 8 | L | 89.3 | Confident | 89.2 | Confident | 120 Ų | 120 | 103.9 Ų | 103.9 | 63% | 0.628 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.7 | -41.8 | 176 | -71.8 | 174.5 | 0 | 0 | 0 | 112.4 | K4 I5 I6 V10 C11 L12 | K4-L8 VanDerWaalsContact O-CG 3.31Å; K4-L8 WeakPolarHBondContact O-CG 3.27Å; K4-L8 PolarHBondContact O-N 3.39Å; I5-L8 PolarHBondContact O-N 3.08Å; I6-L8 VanDerWaalsContact C-N 3.33Å; I6-L8 PolarHBondContact O-N 3.23Å; L8-V10 VanDerWaalsContact C-N 3.29Å; L8-V10 PolarHBondContact O-N 3.28Å; L8-C11 PolarHBondContact O-N 3.38Å; L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 PolarHBondContact O-N 3.27Å |
| 9 | I | 91.9 | Very high | 89.6 | Confident | 116 Ų | 116 | 103.3 Ų | 103.3 | 60% | 0.595 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.3 | -37.1 | 178.6 | -68.6 | 165 | 0 | 0 | 0 | 111.4 | I5 I6 P13 | I5-I9 HydrophobicContact CG2-CD1 3.84Å; I5-I9 HydrophobicContact CG2-CG1 4.49Å; I5-I9 VanDerWaalsContact O-CG1 3.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.43Å; I6-I9 PolarHBondContact O-N 3.46Å; I9-P13 WeakPolarHBondContact O-CD 3.23Å; I9-P13 VanDerWaalsContact O-CG 3.28Å; I9-P13 WeakPolarHBondContact O-CG 3.21Å |
| 10 | V | 91.6 | Very high | 89.9 | Confident | 81 Ų | 81 | 100.2 Ų | 100.2 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -82.1 | -40.3 | 178.5 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | I6 A7 L8 P13 L14 | I6-V10 WeakPolarHBondContact O-CG2 3.37Å; I6-V10 PolarHBondContact O-N 3.06Å; A7-V10 PolarHBondContact O-N 3.05Å; L8-V10 VanDerWaalsContact C-N 3.29Å; L8-V10 PolarHBondContact O-N 3.28Å; V10-P13 WeakPolarHBondContact O-CD 3.3Å; V10-P13 WeakPolarHBondContact O-CG 3.23Å; V10-L14 HydrophobicContact CG1-CD1 4.03Å; V10-L14 WeakPolarHBondContact O-CG 3.35Å |
| 11 | C | 93 | Very high | 90.3 | Very high | 60 Ų | 60 | 100.3 Ų | 100.3 | 41% | 0.405 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.6 | -37 | -177.4 | -74.6 | 0 | 0 | 0 | 0 | 112.9 | A7 L8 L14 I15 | A7-C11 WeakPolarHBondContact O-CB 3.35Å; A7-C11 PolarHBondContact O-N 3.39Å; A7-C11 PolarHBondContact O-SG 2.81Å; L8-C11 PolarHBondContact O-N 3.38Å; C11-L14 PolarHBondContact O-N 3.45Å; C11-I15 HydrophobicContact CB-CD1 4.3Å; C11-I15 WeakPolarHBondContact O-CB 3.26Å; C11-I15 WeakPolarHBondContact O-CD1 3.4Å; C11-I15 WeakPolarHBondContact O-CG1 3.47Å; C11-I15 PolarHBondContact O-N 3.05Å |
| 12 | L | 92.3 | Very high | 91.8 | Very high | 108 Ų | 108 | 92 Ų | 92 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.3 | -51.1 | -177.7 | -164 | 156.3 | 0 | 0 | 0 | 113.3 | L8 L14 I15 L16 | L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 PolarHBondContact O-N 3.27Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3Å; L12-I15 PolarHBondContact O-N 2.84Å; L12-L16 HydrophobicContact CD2-CD1 3.61Å; L12-L16 HydrophobicContact CD2-CG 4.19Å; L12-L16 WeakPolarHBondContact O-CG 3.38Å; L12-L16 PolarHBondContact O-N 3.46Å |
| 13 | P | 94.7 | Very high | 92.7 | Very high | 71 Ų | 71 | 95.2 Ų | 95.2 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -34.6 | 176.5 | 26.2 | -34.3 | 0 | 0 | 0 | 112.1 | I9 V10 L16 L17 | I9-P13 WeakPolarHBondContact O-CD 3.23Å; I9-P13 VanDerWaalsContact O-CG 3.28Å; I9-P13 WeakPolarHBondContact O-CG 3.21Å; V10-P13 WeakPolarHBondContact O-CD 3.3Å; V10-P13 WeakPolarHBondContact O-CG 3.23Å; P13-L16 PolarHBondContact O-N 3.4Å; P13-L17 VanDerWaalsContact O-CB 3.31Å; P13-L17 WeakPolarHBondContact O-CB 3.21Å; P13-L17 PolarHBondContact O-N 3.27Å |
| 14 | L | 94.5 | Very high | 93.3 | Very high | 81 Ų | 81 | 93.2 Ų | 93.2 | 42% | 0.424 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 174.8 | -74.2 | 174 | 0 | 0 | 0 | 111.5 | V10 C11 L12 L17 F18 | V10-L14 HydrophobicContact CG1-CD1 4.03Å; V10-L14 WeakPolarHBondContact O-CG 3.35Å; C11-L14 PolarHBondContact O-N 3.45Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3Å; L14-L17 WeakPolarHBondContact O-CB 3.36Å; L14-L17 PolarHBondContact O-N 2.92Å; L14-F18 WeakPolarHBondContact O-CD2 3.23Å; L14-F18 PolarHBondContact O-N 3.28Å |
| 15 | I | 95.1 | Very high | 93.7 | Very high | 97 Ų | 97 | 89 Ų | 89 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 177.2 | -69.2 | 163 | 0 | 0 | 0 | 110.4 | C11 L12 L17 F18 I19 | C11-I15 HydrophobicContact CB-CD1 4.3Å; C11-I15 WeakPolarHBondContact O-CB 3.26Å; C11-I15 WeakPolarHBondContact O-CD1 3.4Å; C11-I15 WeakPolarHBondContact O-CG1 3.47Å; C11-I15 PolarHBondContact O-N 3.05Å; L12-I15 PolarHBondContact O-N 2.84Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.22Å; I15-F18 PolarHBondContact O-N 3Å; I15-I19 HydrophobicContact CG2-CD1 3.81Å; I15-I19 HydrophobicContact CG2-CG1 4.48Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 3.08Å |
| 16 | L | 95.5 | Very high | 94 | Very high | 107 Ų | 107 | 90.2 Ų | 90.2 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 176.8 | -70.8 | 179.1 | 0 | 0 | 0 | 112.3 | L12 P13 I19 G20 | L12-L16 HydrophobicContact CD2-CD1 3.61Å; L12-L16 HydrophobicContact CD2-CG 4.19Å; L12-L16 WeakPolarHBondContact O-CG 3.38Å; L12-L16 PolarHBondContact O-N 3.46Å; P13-L16 PolarHBondContact O-N 3.4Å; L16-I19 PolarHBondContact O-N 3.14Å; L16-G20 PolarHBondContact O-N 3.29Å |
| 17 | L | 95.9 | Very high | 94.3 | Very high | 114 Ų | 114 | 93 Ų | 93 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.2 | -45.7 | 174.8 | -178.3 | 71.1 | 0 | 0 | 0 | 111.4 | P13 L14 I15 G20 L21 | P13-L17 VanDerWaalsContact O-CB 3.31Å; P13-L17 WeakPolarHBondContact O-CB 3.21Å; P13-L17 PolarHBondContact O-N 3.27Å; L14-L17 WeakPolarHBondContact O-CB 3.36Å; L14-L17 PolarHBondContact O-N 2.92Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.22Å; L17-G20 PolarHBondContact O-N 3.21Å; L17-L21 WeakPolarHBondContact O-CB 3.37Å; L17-L21 PolarHBondContact O-N 3.06Å |
| 18 | F | 96.4 | Very high | 94.6 | Very high | 141 Ų | 141 | 94.6 Ų | 94.6 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 177.6 | -82.6 | -66.5 | 0 | 0 | 0 | 112.5 | L14 I15 L21 G22 | L14-F18 WeakPolarHBondContact O-CD2 3.23Å; L14-F18 PolarHBondContact O-N 3.28Å; I15-F18 PolarHBondContact O-N 3Å; F18-L21 PolarHBondContact O-N 3.42Å; F18-G22 PolarHBondContact O-N 2.84Å |
| 19 | I | 96.6 | Very high | 94.6 | Very high | 91 Ų | 91 | 93.2 Ų | 93.2 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 175.5 | -66.6 | 166 | 0 | 0 | 0 | 110.1 | I15 L16 G22 L23 | I15-I19 HydrophobicContact CG2-CD1 3.81Å; I15-I19 HydrophobicContact CG2-CG1 4.48Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 3.08Å; L16-I19 PolarHBondContact O-N 3.14Å; I19-G22 PolarHBondContact O-N 2.84Å; I19-L23 HydrophobicContact CG2-CD1 4.13Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.32Å |
| 20 | G | 96.3 | Very high | 94.4 | Very high | 41 Ų | 41 | 94.5 Ų | 94.5 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L16 L17 L23 A24 | L16-G20 PolarHBondContact O-N 3.29Å; L17-G20 PolarHBondContact O-N 3.21Å; G20-L23 PolarHBondContact O-N 3.03Å; G20-A24 WeakPolarHBondContact O-CB 3.31Å; G20-A24 PolarHBondContact O-N 2.94Å |
| 21 | L | 96.8 | Very high | 94.2 | Very high | 104 Ų | 104 | 93.4 Ų | 93.4 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.7 | -176.1 | 66.9 | 0 | 0 | 0 | 111.4 | L17 F18 L23 A24 V25 | L17-L21 WeakPolarHBondContact O-CB 3.37Å; L17-L21 PolarHBondContact O-N 3.06Å; F18-L21 PolarHBondContact O-N 3.42Å; L21-L23 PolarHBondContact O-N 3.2Å; L21-A24 PolarHBondContact O-N 3.29Å; L21-V25 HydrophobicContact CD1-CG2 4.47Å; L21-V25 WeakPolarHBondContact O-CB 3.31Å; L21-V25 VanDerWaalsContact O-CG2 3.31Å; L21-V25 WeakPolarHBondContact O-CG2 3.48Å; L21-V25 PolarHBondContact O-N 3.48Å |
| 22 | G | 96.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 98 Ų | 98 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F18 I19 V25 F26 | F18-G22 PolarHBondContact O-N 2.84Å; I19-G22 PolarHBondContact O-N 2.84Å; G22-V25 PolarHBondContact O-N 2.78Å; G22-F26 VanDerWaalsContact O-CB 3.23Å; G22-F26 WeakPolarHBondContact O-CB 3.31Å; G22-F26 PolarHBondContact O-N 3.41Å |
| 23 | L | 96.2 | Very high | 92.5 | Very high | 111 Ų | 111 | 102.2 Ų | 102.2 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.8 | -40.3 | 175.4 | -70.8 | 175.7 | 0 | 0 | 0 | 112.2 | I19 G20 L21 F26 Y27 | I19-L23 HydrophobicContact CG2-CD1 4.13Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.32Å; G20-L23 PolarHBondContact O-N 3.03Å; L21-L23 PolarHBondContact O-N 3.2Å; L23-F26 PolarHBondContact O-N 3.41Å; L23-Y27 WeakPolarHBondContact O-CB 3.11Å; L23-Y27 PolarHBondContact O-N 3.34Å |
| 24 | A | 95.9 | Very high | 91 | Very high | 51 Ų | 51 | 107.6 Ų | 107.6 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G20 L21 Y27 C28 | G20-A24 WeakPolarHBondContact O-CB 3.31Å; G20-A24 PolarHBondContact O-N 2.94Å; L21-A24 PolarHBondContact O-N 3.29Å; A24-Y27 PolarHBondContact O-N 3.49Å; A24-C28 VanDerWaalsContact O-CB 3.3Å; A24-C28 WeakPolarHBondContact O-CB 3.44Å; A24-C28 PolarHBondContact O-N 2.9Å; A24-C28 PolarHBondContact O-SG 3.41Å |
| 25 | V | 95.7 | Very high | 89.2 | Confident | 74 Ų | 74 | 107.3 Ų | 107.3 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L21 G22 Y27 C28 L29 | L21-V25 HydrophobicContact CD1-CG2 4.47Å; L21-V25 WeakPolarHBondContact O-CB 3.31Å; L21-V25 VanDerWaalsContact O-CG2 3.31Å; L21-V25 WeakPolarHBondContact O-CG2 3.48Å; L21-V25 PolarHBondContact O-N 3.48Å; G22-V25 PolarHBondContact O-N 2.78Å; V25-Y27 VanDerWaalsContact C-N 3.34Å; V25-Y27 PolarHBondContact O-N 2.88Å; V25-C28 PolarHBondContact O-N 3.29Å; V25-L29 HydrophobicContact CG1-CD1 3.84Å; V25-L29 HydrophobicContact CG1-CG 4.22Å; V25-L29 WeakPolarHBondContact O-CB 3.34Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 2.91Å; V25-L29 PolarHBondContact O-N 2.84Å |
| 26 | F | 94.6 | Very high | 87.3 | Confident | 126 Ų | 126 | 108.8 Ų | 108.8 | 55% | 0.553 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.7 | -43.7 | 177.3 | -178.8 | -98.5 | 0 | 0 | 0 | 111.8 | G22 L23 L29 R30 | G22-F26 VanDerWaalsContact O-CB 3.23Å; G22-F26 WeakPolarHBondContact O-CB 3.31Å; G22-F26 PolarHBondContact O-N 3.41Å; L23-F26 PolarHBondContact O-N 3.41Å; F26-L29 PolarHBondContact O-N 3.29Å; F26-R30 VanDerWaalsContact O-CB 3.23Å; F26-R30 WeakPolarHBondContact O-CB 3.34Å; F26-R30 PolarHBondContact O-N 3.37Å |
| 27 | Y | 94.1 | Very high | 85.2 | Confident | 169 Ų | 169 | 112 Ų | 112 | 66% | 0.663 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.8 | -44.9 | 176 | -174.7 | -93.4 | 0 | 0 | 0 | 111.4 | L23 A24 V25 L29 R30 S31 | L23-Y27 WeakPolarHBondContact O-CB 3.11Å; L23-Y27 PolarHBondContact O-N 3.34Å; A24-Y27 PolarHBondContact O-N 3.49Å; V25-Y27 VanDerWaalsContact C-N 3.34Å; V25-Y27 PolarHBondContact O-N 2.88Å; Y27-L29 PolarHBondContact O-N 3.47Å; Y27-R30 PolarHBondContact O-N 3.27Å; Y27-S31 VanDerWaalsContact O-CB 3.23Å; Y27-S31 WeakPolarHBondContact O-CB 3.28Å; Y27-S31 PolarHBondContact O-N 2.85Å |
| 28 | C | 92.6 | Very high | 83.1 | Confident | 83 Ų | 83 | 117 Ų | 117 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61 | -43.4 | 174.7 | -76.8 | 0 | 0 | 0 | 0 | 112 | A24 V25 S31 R32 | A24-C28 VanDerWaalsContact O-CB 3.3Å; A24-C28 WeakPolarHBondContact O-CB 3.44Å; A24-C28 PolarHBondContact O-N 2.9Å; A24-C28 PolarHBondContact O-SG 3.41Å; V25-C28 PolarHBondContact O-N 3.29Å; C28-S31 PolarHBondContact O-N 3.4Å; C28-R32 WeakPolarHBondContact O-CB 3.44Å; C28-R32 PolarHBondContact O-N 2.81Å |
| 29 | L | 89.8 | Confident | 81 | Confident | 92 Ų | 92 | 115.4 Ų | 115.4 | 48% | 0.482 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.6 | -43.3 | 176.5 | -72.2 | 174.3 | 0 | 0 | 0 | 111.5 | V25 F26 Y27 R32 R33 | V25-L29 HydrophobicContact CG1-CD1 3.84Å; V25-L29 HydrophobicContact CG1-CG 4.22Å; V25-L29 WeakPolarHBondContact O-CB 3.34Å; V25-L29 VanDerWaalsContact O-CG 3.26Å; V25-L29 WeakPolarHBondContact O-CG 2.91Å; V25-L29 PolarHBondContact O-N 2.84Å; F26-L29 PolarHBondContact O-N 3.29Å; Y27-L29 PolarHBondContact O-N 3.47Å; L29-R32 PolarHBondContact O-N 2.8Å; L29-R33 WeakPolarHBondContact O-CG 3.37Å; L29-R33 PolarHBondContact O-N 3.12Å |
| 30 | R | 89 | Confident | 78.8 | Confident | 142 Ų | 142 | 117 Ų | 117 | 54% | 0.536 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.6 | -41.9 | 176.5 | -173.8 | 175.2 | -174.1 | 177.5 | 1.6 | 111.4 | F26 Y27 R33 R34 | F26-R30 VanDerWaalsContact O-CB 3.23Å; F26-R30 WeakPolarHBondContact O-CB 3.34Å; F26-R30 PolarHBondContact O-N 3.37Å; Y27-R30 PolarHBondContact O-N 3.27Å; R30-R33 PolarHBondContact O-N 2.79Å; R30-R34 PolarHBondContact O-N 3.45Å |
| 31 | S | 85.4 | Confident | 76.5 | Confident | 58 Ų | 58 | 118.9 Ų | 118.9 | 41% | 0.406 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.4 | -47.5 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | Y27 C28 R33 R34 T35 | Y27-S31 VanDerWaalsContact O-CB 3.23Å; Y27-S31 WeakPolarHBondContact O-CB 3.28Å; Y27-S31 PolarHBondContact O-N 2.85Å; C28-S31 PolarHBondContact O-N 3.4Å; S31-R33 VanDerWaalsContact C-N 3.28Å; S31-R33 PolarHBondContact O-N 3.49Å; S31-R34 WeakPolarHBondContact O-CA 3.28Å; S31-R34 WeakPolarHBondContact O-CB 3.2Å; S31-R34 PolarHBondContact O-N 2.87Å; S31-T35 PolarHBondContact O-N 3.45Å; S31-T35 PolarHBondContact O-OG1 2.87Å |
| 32 | R | 78 | Confident | 74.3 | Confident | 157 Ų | 157 | 119.6 Ų | 119.6 | 59% | 0.592 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63 | -33 | 178.7 | -161.1 | 174.6 | -172.7 | -169.6 | 3.3 | 112.7 | C28 L29 R34 T35 K36 | C28-R32 WeakPolarHBondContact O-CB 3.44Å; C28-R32 PolarHBondContact O-N 2.81Å; L29-R32 PolarHBondContact O-N 2.8Å; R32-R34 VanDerWaalsContact C-N 3.26Å; R32-R34 PolarHBondContact O-N 3.38Å; R32-T35 PolarHBondContact O-N 2.93Å; R32-K36 WeakPolarHBondContact O-CG 3.43Å; R32-K36 PolarHBondContact O-N 3.3Å |
| 33 | R | 73 | Confident | 71.9 | Confident | 197 Ų | 197 | 123.8 Ų | 123.8 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62 | -33.7 | 172.3 | -76.1 | -179 | -174.9 | -157.9 | 2.3 | 112.1 | L29 R30 S31 | L29-R33 WeakPolarHBondContact O-CG 3.37Å; L29-R33 PolarHBondContact O-N 3.12Å; R30-R33 PolarHBondContact O-N 2.79Å; S31-R33 VanDerWaalsContact C-N 3.28Å; S31-R33 PolarHBondContact O-N 3.49Å |
| 34 | R | 62.6 | Low | 69.8 | Low | 183 Ų | 183 | 122.6 Ų | 122.6 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.5 | -34.3 | 174 | -63.4 | -175.8 | 174.2 | -170.6 | -2.3 | 112.1 | R30 S31 R32 | R30-R34 PolarHBondContact O-N 3.45Å; S31-R34 WeakPolarHBondContact O-CA 3.28Å; S31-R34 WeakPolarHBondContact O-CB 3.2Å; S31-R34 PolarHBondContact O-N 2.87Å; R32-R34 VanDerWaalsContact C-N 3.26Å; R32-R34 PolarHBondContact O-N 3.38Å |
| 35 | T | 57.8 | Low | 67.6 | Low | 76 Ų | 76 | 130.2 Ų | 130.2 | 47% | 0.466 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.5 | -34.8 | -179.8 | -23.2 | 0 | 0 | 0 | 0 | 112.9 | S31 R32 Q37 R38 T39 | S31-T35 PolarHBondContact O-N 3.45Å; S31-T35 PolarHBondContact O-OG1 2.87Å; R32-T35 PolarHBondContact O-N 2.93Å; T35-Q37 PolarHBondContact O-N 3.33Å; T35-R38 PolarHBondContact O-N 3.5Å; T35-T39 PolarHBondContact O-N 3.48Å; T35-T39 PolarHBondContact O-OG1 3.43Å; T35-T39 VanDerWaalsContact O-OG1 3.05Å |
| 36 | K | 55.1 | Low | 65.1 | Low | 127 Ų | 127 | 133.5 Ų | 133.5 | 55% | 0.552 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.8 | -24.2 | -179.2 | -74 | -178.5 | 178.5 | -167.4 | 0 | 114.1 | R32 R38 T40 | R32-K36 WeakPolarHBondContact O-CG 3.43Å; R32-K36 PolarHBondContact O-N 3.3Å; K36-R38 VanDerWaalsContact C-N 3.32Å; K36-T40 PolarHBondContact O-OG1 2.86Å |
| 37 | Q | 51.4 | Low | 63.2 | Low | 174 Ų | 174 | 134.9 Ų | 134.9 | 81% | 0.813 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -21.8 | 172.3 | -72.7 | -171.5 | -24 | 0 | 0 | 112.8 | T35 | T35-Q37 PolarHBondContact O-N 3.33Š|
| 38 | R | 50.9 | Low | 61.5 | Low | 220 Ų | 220 | 134.1 Ų | 134.1 | 83% | 0.83 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -15 | -179.6 | -153.4 | 176.7 | -170.4 | -173.1 | 3.1 | 113.9 | T35 K36 | T35-R38 PolarHBondContact O-N 3.5Å; K36-R38 VanDerWaalsContact C-N 3.32Å |
| 39 | T | 53.1 | Low | 59.7 | Low | 108 Ų | 108 | 136.1 Ų | 136.1 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -110.7 | 2.9 | -177.6 | -17.6 | 0 | 0 | 0 | 0 | 113.8 | T35 | T35-T39 PolarHBondContact O-N 3.48Å; T35-T39 PolarHBondContact O-OG1 3.43Å; T35-T39 VanDerWaalsContact O-OG1 3.05Å |
| 40 | T | 50.1 | Low | 58.1 | Low | 123 Ų | 123 | 143.5 Ų | 143.5 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -103.8 | 50.8 | 174.4 | -42.8 | 0 | 0 | 0 | 0 | 110 | K36 | K36-T40 PolarHBondContact O-OG1 2.86Š|
| 41 | S | 47.5 | Very low | 56.4 | Low | 82 Ų | 82 | 142.2 Ų | 142.2 | 57% | 0.573 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -143.9 | 124.1 | 161.2 | 60.5 | 0 | 0 | 0 | 0 | 106 | ||
| 42 | T | 50.7 | Low | 54.6 | Low | 118 Ų | 118 | 146.9 Ų | 146.9 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | trans | 78 | 86.2 | 178.7 | 61.6 | 0 | 0 | 0 | 0 | 118.4 | V44 | T42-V44 VanDerWaalsContact C-N 3.29Å; T42-V44 HydrophobicContact CG2-CG2 4Å | ||
| 43 | P | 47 | Very low | 53.5 | Low | 129 Ų | 129 | 145.2 Ų | 145.2 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | trans | -89.4 | 71.7 | 132.6 | 35.6 | -25.5 | 0 | 0 | 0 | 108.2 | ||||
| 44 | V | 52.1 | Low | 52.4 | Low | 86 Ų | 86 | 142 Ų | 142 | 52% | 0.521 | 73% | 0.731 | S | S | . | * | trans | -107.9 | 79.9 | 167.9 | -176.7 | 0 | 0 | 0 | 0 | 105.3 | T42 H47 | T42-V44 VanDerWaalsContact C-N 3.29Å; T42-V44 HydrophobicContact CG2-CG2 4Å; V44-H47 WeakPolarHBondContact CG1-CD2 3.46Å; V44-H47 WeakPolarHBondContact CG1-NE2 3.2Å | ||
| 45 | R | 49.5 | Very low | 51.6 | Low | 210 Ų | 210 | 137.9 Ų | 137.9 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | 41.1 | 82.8 | 85.4 | -153.7 | 177.8 | -157.4 | 162.5 | 5.3 | 111.5 | H47 | R45-H47 PolarHBondContact O-CE1 3.27Š| |||
| 46 | N | 43.4 | Very low | 50.9 | Low | 143 Ų | 143 | 139.9 Ų | 139.9 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | 55 | 67.4 | 149.2 | -61.2 | 2.8 | 0 | 0 | 0 | 117.6 | ||||
| 47 | H | 53.7 | Low | 50.3 | Low | 156 Ų | 156 | 138.4 Ų | 138.4 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -127 | 115.2 | 155.9 | -48.8 | -44.1 | 0 | 0 | 0 | 108.6 | V44 R45 | V44-H47 WeakPolarHBondContact CG1-CD2 3.46Å; V44-H47 WeakPolarHBondContact CG1-NE2 3.2Å; R45-H47 PolarHBondContact O-CE1 3.27Å | ||
| 48 | L | 59.7 | Low | 49.9 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 158.6 | 179.7 | -89.1 | 61 | 0 | 0 | 0 | 113 | R50 | L48-R50 PolarHBondContact O-N 3.39Š|
| 49 | P | 54 | Low | 49.3 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 119.4 | 176.2 | 22.7 | -33.1 | 0 | 0 | 0 | 109.6 | S51 | P49-S51 PolarHBondContact O-N 2.92Š|
| 50 | R | 55.3 | Low | 48.6 | Very low | 247 Ų | 247 | 136.2 Ų | 136.2 | 93% | 0.932 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 116.8 | 175.3 | -173.9 | 172.8 | -178.3 | 126.7 | -2.9 | 107.9 | L48 Q52 | L48-R50 PolarHBondContact O-N 3.39Å; R50-Q52 PolarHBondContact O-N 2.91Å |
| 51 | S | 53.8 | Low | 48.1 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 123.8 | 179.2 | 23.4 | 0 | 0 | 0 | 0 | 110.7 | P49 | P49-S51 PolarHBondContact O-N 2.92Š|
| 52 | Q | 49 | Very low | 47.9 | Very low | 157 Ų | 157 | 141 Ų | 141 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -25.7 | 138.1 | 161.6 | -173.3 | 175.7 | 10.5 | 0 | 0 | 115.1 | R50 T54 | R50-Q52 PolarHBondContact O-N 2.91Å; Q52-T54 PolarHBondContact O-N 2.96Å | ||
| 53 | P | 54.7 | Low | 47.5 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -67.8 | 123.8 | 162.4 | 27.6 | -29.7 | 0 | 0 | 0 | 109.3 | S55 | P53-S55 PolarHBondContact O-N 3.33Å; P53-S55 VanDerWaalsContact O-N 3.08Å | ||
| 54 | T | 48.7 | Very low | 47.3 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -60.6 | 105.1 | 178.7 | -15.8 | 0 | 0 | 0 | 0 | 110.3 | Q52 T56 | Q52-T54 PolarHBondContact O-N 2.96Å; T54-T56 PolarHBondContact O-N 3.13Å | ||
| 55 | S | 45.6 | Very low | 46.9 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -86.3 | 88.2 | 160 | 57.2 | 0 | 0 | 0 | 0 | 107.7 | P53 S57 | P53-S55 PolarHBondContact O-N 3.33Å; P53-S55 VanDerWaalsContact O-N 3.08Å; S55-S57 VanDerWaalsContact C-N 3.26Å; S55-S57 PolarHBondContact O-N 3.43Å | ||
| 56 | T | 43.6 | Very low | 46.8 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | -75.2 | 88.2 | 171.3 | -33.1 | 0 | 0 | 0 | 0 | 107.5 | T54 N58 | T54-T56 PolarHBondContact O-N 3.13Å; T56-N58 PolarHBondContact O-N 2.89Å | ||
| 57 | S | 43.3 | Very low | 47.1 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -69.6 | 106.1 | 163.7 | 57.7 | 0 | 0 | 0 | 0 | 107.8 | S55 | S55-S57 VanDerWaalsContact C-N 3.26Å; S55-S57 PolarHBondContact O-N 3.43Å | ||
| 58 | N | 42.8 | Very low | 46.4 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -135.5 | 104.3 | 149.6 | -91.4 | -31.4 | 0 | 0 | 0 | 107.5 | T56 | T56-N58 PolarHBondContact O-N 2.89Š| ||
| 59 | F | 37.6 | Very low | 45.7 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 2.1 | 114.6 | 154.3 | -66.1 | -95.6 | 0 | 0 | 0 | 115.3 | ||||
| 60 | T | 38.7 | Very low | 45.2 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | 166.1 | 110.6 | 119.1 | -68.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 61 | N | 38.9 | Very low | 44.5 | Very low | 145 Ų | 145 | 133 Ų | 133 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 73.2 | 74.2 | 145.9 | -154.8 | -14.9 | 0 | 0 | 0 | 119 | ||||
| 62 | I | 43.6 | Very low | 43.7 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -151.1 | 127.3 | 142 | -46.8 | 179.9 | 0 | 0 | 0 | 108.4 | A64 | I62-A64 PolarHBondContact O-N 2.96Š| ||
| 63 | P | 42.9 | Very low | 43 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 120.6 | 179.7 | 22.8 | -28.2 | 0 | 0 | 0 | 110.9 | Q65 | P63-Q65 PolarHBondContact O-N 3.25Š|
| 64 | A | 42.2 | Very low | 42.6 | Very low | 104 Ų | 104 | 135 Ų | 135 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 116 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I62 | I62-A64 PolarHBondContact O-N 2.96Š|
| 65 | Q | 44.3 | Very low | 42.4 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 138.3 | 168 | -77.9 | 178.5 | -24.1 | 0 | 0 | 110.5 | P63 | P63-Q65 PolarHBondContact O-N 3.25Š|
| 66 | V | 47.8 | Very low | 42.7 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | trans | -45.4 | 137.8 | -178.7 | -143.1 | 0 | 0 | 0 | 0 | 113.7 | Y68 | V66-Y68 PolarHBondContact O-N 3.41Š| ||
| 67 | P | 49.7 | Very low | 42.6 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 118.3 | 168.4 | -6.6 | 22.7 | 0 | 0 | 0 | 109.7 | ||
| 68 | Y | 39.2 | Very low | 42.7 | Very low | 216 Ų | 216 | 142.9 Ų | 142.9 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 142.9 | 169.3 | -77.5 | -89.7 | 0 | 0 | 0 | 110.7 | V66 | V66-Y68 PolarHBondContact O-N 3.41Š|
| 69 | P | 43.2 | Very low | 43.1 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -77 | 130 | -175.8 | 31.5 | -32.3 | 0 | 0 | 0 | 110.8 | G71 | P69-G71 PolarHBondContact O-N 3.47Š|
| 70 | T | 44.8 | Very low | 43.3 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 95% | 0.945 | 81% | 0.812 | S | S | * | * | trans | -70.3 | 89.7 | 171.4 | 43.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 71 | G | 39.7 | Very low | 43.8 | Very low | 60 Ų | 60 | 141.1 Ų | 141.1 | 62% | 0.619 | 81% | 0.814 | S | S | * | * | trans | -98.7 | 128.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P69 | P69-G71 PolarHBondContact O-N 3.47Š| ||
| 72 | S | 36.6 | Very low | 44.1 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 64.5 | 128.5 | 146.5 | 59.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 73 | S | 35.8 | Very low | 44.4 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | 75.5 | 82.4 | 145.4 | -66.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 74 | Q | 45 | Very low | 44.9 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -101.5 | 106.5 | 146.9 | -79.2 | -173 | -17.6 | 0 | 0 | 109.6 | ||||
| 75 | N | 45.9 | Very low | 45.9 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 124.3 | 170 | -156.6 | 16.6 | 0 | 0 | 0 | 108.5 | Y77 | N75-Y77 PolarHBondContact O-N 3.44Š|
| 76 | P | 51.5 | Low | 45.9 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 119.2 | 175.6 | -6.1 | 22.8 | 0 | 0 | 0 | 109.8 | ||
| 77 | Y | 41.6 | Very low | 46.1 | Very low | 220 Ų | 220 | 141 Ų | 141 | 86% | 0.863 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138 | 168.1 | -72 | -90 | 0 | 0 | 0 | 110.5 | N75 M79 | N75-Y77 PolarHBondContact O-N 3.44Å; Y77-M79 PolarHBondContact O-N 3.01Å |
| 78 | P | 45.3 | Very low | 46.2 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -75 | 114.1 | 178.1 | 29.6 | -31.3 | 0 | 0 | 0 | 110.1 | S80 | P78-S80 PolarHBondContact O-N 3.27Š| ||
| 79 | M | 51.7 | Low | 46.5 | Very low | 191 Ų | 191 | 138 Ų | 138 | 94% | 0.941 | 81% | 0.809 | S | S | * | * | trans | -68.7 | 121.3 | 168.6 | -94.3 | -84.3 | -136.9 | 0 | 0 | 109.7 | Y77 | Y77-M79 PolarHBondContact O-N 3.01Š| ||
| 80 | S | 41.6 | Very low | 46.2 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -57.4 | 130.5 | -177 | -166.3 | 0 | 0 | 0 | 0 | 113 | P78 S82 | P78-S80 PolarHBondContact O-N 3.27Å; S80-S82 PolarHBondContact O-N 3.33Å | ||
| 81 | S | 47.7 | Very low | 46.1 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -91.9 | 51.9 | -172 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 82 | S | 46 | Very low | 46.3 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -121.9 | 25.4 | -173.5 | -62.7 | 0 | 0 | 0 | 0 | 115.7 | S80 | S80-S82 PolarHBondContact O-N 3.33Š| ||
| 83 | Q | 50.1 | Low | 46.6 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -98.1 | 107.6 | 171.6 | -124.5 | 173.4 | -4.6 | 0 | 0 | 110.5 | ||||
| 84 | A | 53.6 | Low | 46.7 | Very low | 83 Ų | 83 | 141.8 Ų | 141.8 | 69% | 0.686 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 142.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 85 | P | 61.9 | Low | 46.1 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69 | 135.6 | 176.4 | -13.8 | 27.9 | 0 | 0 | 0 | 111.6 | ||
| 86 | Y | 45 | Very low | 46 | Very low | 209 Ų | 209 | 140 Ų | 140 | 82% | 0.82 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 143.7 | 169.6 | -71.4 | -87 | 0 | 0 | 0 | 111.2 | I88 | Y86-I88 PolarHBondContact O-N 2.83Š|
| 87 | P | 51.9 | Low | 45.2 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 128.8 | -178.9 | 28.2 | -32.8 | 0 | 0 | 0 | 111.1 | S89 | P87-S89 PolarHBondContact O-N 3.49Š|
| 88 | I | 52.7 | Low | 44.9 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -87.7 | 103 | 173.6 | -49.2 | 170.7 | 0 | 0 | 0 | 106.9 | Y86 S90 | Y86-I88 PolarHBondContact O-N 2.83Å; I88-S90 PolarHBondContact O-N 3.03Å; I88-S90 VanDerWaalsContact O-N 3.13Å | ||
| 89 | S | 43.8 | Very low | 44.4 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -67.2 | 108.1 | 171.6 | -86.4 | 0 | 0 | 0 | 0 | 110.1 | P87 S91 | P87-S89 PolarHBondContact O-N 3.49Å; S89-S91 PolarHBondContact O-N 3.39Å | ||
| 90 | S | 38.6 | Very low | 43.3 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -86.4 | 81.4 | 169.2 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | I88 | I88-S90 PolarHBondContact O-N 3.03Å; I88-S90 VanDerWaalsContact O-N 3.13Å | ||
| 91 | S | 41.2 | Very low | 43.2 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -165.6 | 104.9 | 170 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | S89 | S89-S91 PolarHBondContact O-N 3.39Š| ||
| 92 | Q | 44.1 | Very low | 42.5 | Very low | 196 Ų | 196 | 132.1 Ų | 132.1 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | 173.8 | 99.2 | 131 | -98.4 | 174.2 | -7.4 | 0 | 0 | 110.6 | ||||
| 93 | D | 42.7 | Very low | 42.1 | Very low | 164 Ų | 164 | 132 Ų | 132 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -51.3 | 147.1 | 148.7 | -66.1 | -67.5 | 0 | 0 | 0 | 111.5 | ||||
| 94 | G | 37.9 | Very low | 41.8 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 88.9 | 119.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 95 | M | 33.7 | Very low | 41.4 | Very low | 182 Ų | 182 | 129.1 Ų | 129.1 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -55.5 | 137.3 | 177.1 | -62 | -133.1 | -68 | 0 | 0 | 113.4 | T97 | M95-T97 PolarHBondContact O-N 3.41Š| ||
| 96 | P | 42.6 | Very low | 41 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -91.3 | 105.6 | 168.1 | 32.8 | -26.3 | 0 | 0 | 0 | 110.2 | ||||
| 97 | T | 35.5 | Very low | 41.2 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -64.4 | 135.7 | 158.2 | -60.6 | 0 | 0 | 0 | 0 | 108.5 | M95 A99 | M95-T97 PolarHBondContact O-N 3.41Å; T97-A99 PolarHBondContact O-N 3.23Å | ||
| 98 | G | 34.6 | Very low | 41.6 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | -52.1 | 130.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 99 | A | 34.5 | Very low | 42 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -153.5 | 121.7 | 148.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | T97 V101 | T97-A99 PolarHBondContact O-N 3.23Å; A99-V101 PolarHBondContact O-N 2.95Å | ||
| 100 | A | 30.2 | Very low | 42.8 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -22.5 | 116.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 101 | V | 38 | Very low | 44.2 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -133.6 | 102.3 | 142 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | A99 S103 | A99-V101 PolarHBondContact O-N 2.95Å; V101-S103 PolarHBondContact O-N 2.93Å; V101-S103 VanDerWaalsContact O-N 3.12Å | ||
| 102 | L | 34.1 | Very low | 45.6 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -62.4 | 103.9 | 165.8 | -75.1 | 135.4 | 0 | 0 | 0 | 108.2 | ||||
| 103 | S | 38.2 | Very low | 46.9 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -143.3 | 109.1 | 156.2 | -123.8 | 0 | 0 | 0 | 0 | 107.7 | V101 A105 | V101-S103 PolarHBondContact O-N 2.93Å; V101-S103 VanDerWaalsContact O-N 3.12Å; S103-A105 PolarHBondContact O-N 3.44Å | ||
| 104 | S | 42.8 | Very low | 48.3 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -41.8 | 101.6 | 174.5 | 42.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 105 | A | 45.8 | Very low | 49.5 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -57.5 | 128.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | S103 N107 | S103-A105 PolarHBondContact O-N 3.44Å; A105-N107 PolarHBondContact O-N 3.22Å; A105-N107 VanDerWaalsContact O-N 3.08Å | ||
| 106 | P | 53.7 | Low | 50.9 | Low | 114 Ų | 114 | 120.1 Ų | 120.1 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | trans | -62.8 | 119.4 | 175 | 23.9 | -28.4 | 0 | 0 | 0 | 107.5 | L108 | P106-L108 PolarHBondContact O-N 2.81Š| ||
| 107 | N | 49.6 | Very low | 51.7 | Low | 99 Ų | 99 | 121.7 Ų | 121.7 | 53% | 0.529 | 75% | 0.749 | S | S | . | * | trans | -52.9 | 109.1 | 172 | -172.9 | -69.9 | 0 | 0 | 0 | 107.6 | A105 D109 Q110 | A105-N107 PolarHBondContact O-N 3.22Å; A105-N107 VanDerWaalsContact O-N 3.08Å; N107-D109 PolarHBondContact O-N 3.22Å; N107-D109 WeakPolarHBondContact OD1-CB 3.12Å; N107-D109 PolarHBondContact OD1-N 2.96Å; N107-Q110 HydrophobicContact CB-CB 4.49Å; N107-Q110 WeakPolarHBondContact O-CB 3.31Å; N107-Q110 PolarHBondContact O-N 3.08Å | ||
| 108 | L | 59.6 | Low | 52.8 | Low | 174 Ų | 174 | 121 Ų | 121 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -8.1 | -174.5 | -82.2 | 151.2 | 0 | 0 | 0 | 113.2 | P106 | P106-L108 PolarHBondContact O-N 2.81Š|
| 109 | D | 61.1 | Low | 53.9 | Low | 149 Ų | 149 | 124.1 Ų | 124.1 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 0.8 | 174.6 | -61.1 | -44.3 | 0 | 0 | 0 | 112.9 | N107 | N107-D109 PolarHBondContact O-N 3.22Å; N107-D109 WeakPolarHBondContact OD1-CB 3.12Å; N107-D109 PolarHBondContact OD1-N 2.96Å |
| 110 | Q | 59.5 | Low | 55.1 | Low | 150 Ų | 150 | 124.7 Ų | 124.7 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -87.8 | 120.6 | -179.4 | -166.6 | 151.6 | -12.8 | 0 | 0 | 111.1 | N107 | N107-Q110 HydrophobicContact CB-CB 4.49Å; N107-Q110 WeakPolarHBondContact O-CB 3.31Å; N107-Q110 PolarHBondContact O-N 3.08Å |
| 111 | P | 68 | Low | 56.9 | Low | 100 Ų | 100 | 126.3 Ų | 126.3 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 151.3 | 175.4 | 25.2 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 112 | P | 70.8 | Confident | 58.5 | Low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 146.7 | 178.7 | 25.2 | -33.8 | 0 | 0 | 0 | 110.4 | Y114 | P112-Y114 PolarHBondContact O-N 3.47Š|
| 113 | P | 72.8 | Confident | 60.3 | Low | 126 Ų | 126 | 122.3 Ų | 122.3 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 136.5 | 176.7 | 22.5 | -30.4 | 0 | 0 | 0 | 109.8 | ||
| 114 | Y | 70.4 | Confident | 62 | Low | 221 Ų | 221 | 123 Ų | 123 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 140.8 | 172.9 | -76.8 | -80.8 | 0 | 0 | 0 | 109.4 | P112 A116 | P112-Y114 PolarHBondContact O-N 3.47Å; Y114-A116 PolarHBondContact O-N 3.46Å |
| 115 | P | 64.3 | Low | 63.5 | Low | 69 Ų | 69 | 122.5 Ų | 122.5 | 45% | 0.448 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 141 | 172.2 | 21.2 | -29.5 | 0 | 0 | 0 | 109.3 | E119 | P115-E119 WeakPolarHBondContact CA-OE2 3.44Å; P115-E119 HydrophobicContact CB-CB 3.94Å; P115-E119 WeakPolarHBondContact CB-OE2 3.36Å |
| 116 | A | 63.3 | Low | 64.7 | Low | 61 Ų | 61 | 123.2 Ų | 123.2 | 50% | 0.504 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -58 | 150.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y114 S118 E119 | Y114-A116 PolarHBondContact O-N 3.46Å; A116-S118 PolarHBondContact O-N 2.95Å; A116-E119 PolarHBondContact O-N 3.46Å |
| 117 | L | 58 | Low | 64.8 | Low | 157 Ų | 157 | 128.8 Ų | 128.8 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -19.6 | -179.8 | -135.9 | 95.7 | 0 | 0 | 0 | 113.1 | L120 | L117-L120 HydrophobicContact CD1-CD1 4.48Å; L117-L120 HydrophobicContact CG-CD1 4.47Å |
| 118 | S | 58.9 | Low | 65.2 | Low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -15.6 | 174.5 | -50.3 | 0 | 0 | 0 | 0 | 115.3 | A116 | A116-S118 PolarHBondContact O-N 2.95Š|
| 119 | E | 58.8 | Low | 65 | Low | 145 Ų | 145 | 130.5 Ų | 130.5 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -9.3 | 176.7 | -76 | -176.6 | 129.6 | 0 | 0 | 112.8 | P115 A116 T121 | P115-E119 WeakPolarHBondContact CA-OE2 3.44Å; P115-E119 HydrophobicContact CB-CB 3.94Å; P115-E119 WeakPolarHBondContact CB-OE2 3.36Å; A116-E119 PolarHBondContact O-N 3.46Å; E119-T121 PolarHBondContact O-N 3.42Å |
| 120 | L | 59 | Low | 64.7 | Low | 107 Ų | 107 | 131.7 Ų | 131.7 | 56% | 0.56 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -77.1 | 122 | 173.9 | -77.7 | 160.4 | 0 | 0 | 0 | 109.1 | L117 | L117-L120 HydrophobicContact CD1-CD1 4.48Å; L117-L120 HydrophobicContact CG-CD1 4.47Å |
| 121 | T | 68.6 | Low | 64.6 | Low | 129 Ų | 129 | 131.2 Ų | 131.2 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 137.4 | 169.3 | 39.1 | 0 | 0 | 0 | 0 | 109.2 | E119 | E119-T121 PolarHBondContact O-N 3.42Š|
| 122 | P | 71.2 | Confident | 63.8 | Low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 143.1 | -178.4 | 23.7 | -32.5 | 0 | 0 | 0 | 110.1 | ||
| 123 | P | 72.2 | Confident | 62.4 | Low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 145.3 | 177.7 | 25.5 | -33.3 | 0 | 0 | 0 | 110.2 | ||
| 124 | P | 72.9 | Confident | 61.5 | Low | 116 Ų | 116 | 138.9 Ų | 138.9 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 144.6 | 175.8 | 25.7 | -33.1 | 0 | 0 | 0 | 110.1 | ||
| 125 | P | 73.9 | Confident | 61.1 | Low | 109 Ų | 109 | 134.8 Ų | 134.8 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.7 | -178.9 | 24.7 | -33.3 | 0 | 0 | 0 | 110.6 | Y127 | P125-Y127 PolarHBondContact O-N 3.15Š|
| 126 | P | 71.2 | Confident | 60.9 | Low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 126.7 | 175.8 | 22.2 | -31 | 0 | 0 | 0 | 109.2 | Y128 | P126-Y128 HydrophobicContact CB-CD2 4.45Å; P126-Y128 HydrophobicContact CG-CD2 4.41Å; P126-Y128 PolarHBondContact O-N 3.33Å |
| 127 | Y | 57.2 | Low | 60.8 | Low | 232 Ų | 232 | 142.5 Ų | 142.5 | 91% | 0.91 | 78% | 0.776 | S | S | * | * | trans | -68.3 | 82.1 | 173.4 | -132 | -93.9 | 0 | 0 | 0 | 107.6 | P125 S129 | P125-Y127 PolarHBondContact O-N 3.15Å; Y127-S129 VanDerWaalsContact C-N 3.28Å; Y127-S129 PolarHBondContact O-N 3.43Å | ||
| 128 | Y | 57.5 | Low | 61 | Low | 201 Ų | 201 | 141.6 Ų | 141.6 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -67.7 | 97 | 164.5 | -99.5 | -88.8 | 0 | 0 | 0 | 106.5 | P126 K130 | P126-Y128 HydrophobicContact CB-CD2 4.45Å; P126-Y128 HydrophobicContact CG-CD2 4.41Å; P126-Y128 PolarHBondContact O-N 3.33Å; Y128-K130 VanDerWaalsContact C-N 3.26Å; Y128-K130 PolarHBondContact O-N 3.49Å | ||
| 129 | S | 56.2 | Low | 61.1 | Low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -55.8 | 96.9 | 160.2 | 42.7 | 0 | 0 | 0 | 0 | 107.7 | Y127 | Y127-S129 VanDerWaalsContact C-N 3.28Å; Y127-S129 PolarHBondContact O-N 3.43Å | ||
| 130 | K | 54.8 | Low | 61.2 | Low | 174 Ų | 174 | 142.8 Ų | 142.8 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -55 | 142.2 | 164 | -81.4 | -172.9 | 174.3 | -175.1 | 0 | 109.2 | Y128 | Y128-K130 VanDerWaalsContact C-N 3.26Å; Y128-K130 PolarHBondContact O-N 3.49Å | ||
| 131 | I | 55.9 | Low | 61.4 | Low | 140 Ų | 140 | 145.4 Ų | 145.4 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | 84.4 | 127.6 | 153.2 | -55.3 | 141.5 | 0 | 0 | 0 | 113.6 | ||||
| 132 | E | 51.9 | Low | 60.8 | Low | 177 Ų | 177 | 146.6 Ų | 146.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | cis | -160.8 | 144 | 12.6 | -141.2 | 157.4 | 150.1 | 0 | 0 | 107.6 | ||||
| 133 | N | 42.5 | Very low | 60 | Low | 145 Ų | 145 | 149.6 Ų | 149.6 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -132.6 | 136 | 166 | -159.5 | 61.7 | 0 | 0 | 0 | 108.3 | ||||
| 134 | P | 53.5 | Low | 58.9 | Low | 177 Ų | 177 | 153 Ų | 153 | 100% | 1.149 | 80% | 0.801 | S | S | * | * | -93.5 | 0 | 128 | 28.9 | -30.1 | 0 | 0 | 0 | 110.7 |
Retrieved 134 of 134 residues in 84.9 ms
(Link to these results)