| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.2 | Very low | 67.2 | Low | 242 Ų | 242 | 96.9 Ų | 96.9 | 100% | 1.192 | 55% | 0.553 | S | S | * | * | 0 | 122.3 | 0 | -67.8 | -169.3 | -163.7 | 0 | 0 | 107 | |||||
| 2 | S | 36.7 | Very low | 68.8 | Low | 111 Ų | 111 | 95.4 Ų | 95.4 | 78% | 0.776 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 142.2 | 173.9 | -43 | 0 | 0 | 0 | 0 | 109.3 | ||
| 3 | P | 48.1 | Very low | 70.2 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 70% | 0.701 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 142.6 | 173 | 23.9 | -30.9 | 0 | 0 | 0 | 108.8 | V5 | P3-V5 PolarHBondContact O-N 2.87Å; P3-V5 VanDerWaalsContact O-N 3.13Å |
| 4 | P | 57.9 | Low | 71.3 | Confident | 102 Ų | 102 | 100.4 Ų | 100.4 | 66% | 0.662 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 123.5 | -178.3 | 24.2 | -31.8 | 0 | 0 | 0 | 108.7 | F6 | P4-F6 PolarHBondContact O-N 3.22Š|
| 5 | V | 63.2 | Low | 72.3 | Confident | 136 Ų | 136 | 93.7 Ų | 93.7 | 82% | 0.824 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -65 | 117.8 | 178.9 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | P3 N7 | P3-V5 PolarHBondContact O-N 2.87Å; P3-V5 VanDerWaalsContact O-N 3.13Å; V5-N7 PolarHBondContact O-N 3.02Å; V5-N7 VanDerWaalsContact O-N 3.08Å |
| 6 | F | 76.8 | Confident | 73.2 | Confident | 35 Ų | 35 | 89.3 Ų | 89.3 | 15% | 0.154 | 48% | 0.484 | C | S | . | . | trans | -69.8 | 104 | 177.3 | -175.7 | -98.5 | 0 | 0 | 0 | 109.2 | P4 F8 V11 I38 E44 K45 T48 | P4-F6 PolarHBondContact O-N 3.22Å; F6-F8 AromaticContact CD1-CD2 3.64Å; F6-F8 HydrophobicContact CD1-CD2 3.64Å; F6-F8 HydrophobicContact CD1-CE2 4.12Å; F6-F8 HydrophobicContact CD1-CG 4.46Å; F6-F8 AromaticContact CE1-CD2 3.52Å; F6-F8 HydrophobicContact CE1-CD2 3.52Å; F6-F8 AromaticContact CE1-CE2 3.78Å; F6-F8 HydrophobicContact CE1-CE2 3.78Å; F6-F8 HydrophobicContact CE1-CG 4.16Å; F6-F8 PolarHBondContact O-N 3.42Å; F6-V11 HydrophobicContact CD2-CG2 4.43Å; F6-V11 HydrophobicContact CE2-CB 4.36Å; F6-V11 HydrophobicContact CE2-CG1 4.01Å; F6-V11 HydrophobicContact CE2-CG2 3.94Å; F6-V11 HydrophobicContact CZ-CB 4.04Å; F6-V11 HydrophobicContact CZ-CG1 3.63Å; F6-V11 HydrophobicContact CZ-CG2 4.11Å; F6-I38 HydrophobicContact CE2-CG2 4.08Å; F6-E44 HydrophobicContact CD1-CB 4.21Å; F6-E44 HydrophobicContact CE1-CB 4Å; F6-E44 HydrophobicContact CZ-CB 4.27Å; F6-K45 HydrophobicContact CE2-CG 4.02Å; F6-K45 HydrophobicContact CZ-CG 4.39Å; F6-T48 HydrophobicContact CE1-CG2 3.68Å; F6-T48 HydrophobicContact CZ-CG2 3.92Å | ||
| 7 | N | 82.3 | Confident | 73.9 | Confident | 73 Ų | 73 | 87.5 Ų | 87.5 | 39% | 0.39 | 48% | 0.484 | S | S | . | . | trans | -79.7 | 99.2 | 176.6 | -170.1 | -12.8 | 0 | 0 | 0 | 110.1 | V5 V9 D10 V11 | V5-N7 PolarHBondContact O-N 3.02Å; V5-N7 VanDerWaalsContact O-N 3.08Å; N7-V9 VanDerWaalsContact C-N 3.26Å; N7-V9 PolarHBondContact O-N 2.69Å; N7-V9 PolarHBondContact OD1-N 3.35Å; N7-D10 HydrophobicContact CB-CB 4.3Å; N7-D10 PolarHBondContact ND2-OD1 3.37Å; N7-D10 PolarHBondContact ND2-OD2 3.04Å; N7-V11 WeakPolarHBondContact O-CB 3.48Å; N7-V11 VanDerWaalsContact O-CG2 3.26Å; N7-V11 WeakPolarHBondContact O-CG2 3.36Å; N7-V11 PolarHBondContact O-N 3.04Å; N7-V11 VanDerWaalsContact O-N 3.12Å | ||
| 8 | F | 82.7 | Confident | 74.5 | Confident | 79 Ų | 79 | 82.8 Ų | 82.8 | 35% | 0.346 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.3 | -36.6 | -176.7 | -129.7 | -93.6 | 0 | 0 | 0 | 113.2 | F6 K12 T48 | F6-F8 AromaticContact CD1-CD2 3.64Å; F6-F8 HydrophobicContact CD1-CD2 3.64Å; F6-F8 HydrophobicContact CD1-CE2 4.12Å; F6-F8 HydrophobicContact CD1-CG 4.46Å; F6-F8 AromaticContact CE1-CD2 3.52Å; F6-F8 HydrophobicContact CE1-CD2 3.52Å; F6-F8 AromaticContact CE1-CE2 3.78Å; F6-F8 HydrophobicContact CE1-CE2 3.78Å; F6-F8 HydrophobicContact CE1-CG 4.16Å; F6-F8 PolarHBondContact O-N 3.42Å; F8-K12 WeakPolarHBondContact O-CB 3.3Å; F8-K12 PolarHBondContact O-N 3.37Å; F8-T48 HydrophobicContact CD1-CG2 3.27Å; F8-T48 HydrophobicContact CD2-CG2 3.99Å; F8-T48 HydrophobicContact CE1-CG2 3.17Å; F8-T48 HydrophobicContact CE2-CG2 3.89Å; F8-T48 HydrophobicContact CG-CG2 3.69Å; F8-T48 HydrophobicContact CZ-CG2 3.49Å; F8-T48 VanDerWaalsContact CZ-CG2 3.49Å |
| 9 | V | 84.4 | Confident | 74.9 | Confident | 87 Ų | 87 | 78.4 Ų | 78.4 | 53% | 0.527 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -74.1 | -51.7 | -174.8 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | N7 V11 K12 E13 | N7-V9 VanDerWaalsContact C-N 3.26Å; N7-V9 PolarHBondContact O-N 2.69Å; N7-V9 PolarHBondContact OD1-N 3.35Å; V9-V11 VanDerWaalsContact C-N 3.27Å; V9-V11 PolarHBondContact O-N 3.3Å; V9-K12 PolarHBondContact O-N 3.45Å; V9-E13 PolarHBondContact O-N 3.33Å |
| 10 | D | 84.5 | Confident | 75.4 | Confident | 80 Ų | 80 | 81.1 Ų | 81.1 | 43% | 0.428 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 179.5 | -60 | -5 | 0 | 0 | 0 | 111.6 | N7 K14 | N7-D10 HydrophobicContact CB-CB 4.3Å; N7-D10 PolarHBondContact ND2-OD1 3.37Å; N7-D10 PolarHBondContact ND2-OD2 3.04Å; D10-K14 WeakPolarHBondContact O-CG 3.34Å; D10-K14 PolarHBondContact O-N 3.33Å |
| 11 | V | 83.9 | Confident | 75.7 | Confident | 13 Ų | 13 | 82.5 Ų | 82.5 | 8% | 0.079 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 178 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | F6 N7 V9 K14 F15 I38 T48 | F6-V11 HydrophobicContact CD2-CG2 4.43Å; F6-V11 HydrophobicContact CE2-CB 4.36Å; F6-V11 HydrophobicContact CE2-CG1 4.01Å; F6-V11 HydrophobicContact CE2-CG2 3.94Å; F6-V11 HydrophobicContact CZ-CB 4.04Å; F6-V11 HydrophobicContact CZ-CG1 3.63Å; F6-V11 HydrophobicContact CZ-CG2 4.11Å; N7-V11 WeakPolarHBondContact O-CB 3.48Å; N7-V11 VanDerWaalsContact O-CG2 3.26Å; N7-V11 WeakPolarHBondContact O-CG2 3.36Å; N7-V11 PolarHBondContact O-N 3.04Å; N7-V11 VanDerWaalsContact O-N 3.12Å; V9-V11 VanDerWaalsContact C-N 3.27Å; V9-V11 PolarHBondContact O-N 3.3Å; V11-K14 PolarHBondContact O-N 3.4Å; V11-F15 HydrophobicContact CG1-CD2 3.56Å; V11-F15 HydrophobicContact CG1-CE2 3.32Å; V11-F15 HydrophobicContact CG1-CZ 4.26Å; V11-F15 WeakPolarHBondContact O-CD2 3.35Å; V11-F15 PolarHBondContact O-N 3.35Å; V11-I38 HydrophobicContact CG1-CD1 4.09Å; V11-I38 HydrophobicContact CG1-CG2 4.19Å; V11-I38 HydrophobicContact CG2-CG2 4.08Å; V11-T48 HydrophobicContact CG1-CG2 4.33Å |
| 12 | K | 85.7 | Confident | 77.6 | Confident | 79 Ų | 79 | 71 Ų | 71 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 175.2 | -177.9 | -177.6 | 174.8 | -176.2 | 0 | 111.4 | F8 V9 K14 F15 T16 A52 | F8-K12 WeakPolarHBondContact O-CB 3.3Å; F8-K12 PolarHBondContact O-N 3.37Å; V9-K12 PolarHBondContact O-N 3.45Å; K12-K14 VanDerWaalsContact C-N 3.33Å; K12-K14 PolarHBondContact O-N 2.82Å; K12-F15 PolarHBondContact O-N 3.42Å; K12-T16 WeakPolarHBondContact O-CB 3.46Å; K12-T16 PolarHBondContact O-N 3.02Å; K12-T16 PolarHBondContact O-OG1 3.43Å; K12-A52 HydrophobicContact CG-CB 4.31Å |
| 13 | E | 87.4 | Confident | 79.6 | Confident | 133 Ų | 133 | 67 Ų | 67 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.7 | -41.9 | 178 | -73.3 | -173.1 | 172 | 0 | 0 | 112.3 | V9 T16 A17 | V9-E13 PolarHBondContact O-N 3.33Å; E13-T16 PolarHBondContact O-N 2.87Å; E13-A17 PolarHBondContact O-N 2.87Å |
| 14 | K | 85.8 | Confident | 80.9 | Confident | 128 Ų | 128 | 66.8 Ų | 66.8 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62 | -44 | 174.4 | -73.3 | 173.7 | -176.5 | 176.6 | 0 | 112.1 | D10 V11 K12 A17 A18 | D10-K14 WeakPolarHBondContact O-CG 3.34Å; D10-K14 PolarHBondContact O-N 3.33Å; V11-K14 PolarHBondContact O-N 3.4Å; K12-K14 VanDerWaalsContact C-N 3.33Å; K12-K14 PolarHBondContact O-N 2.82Å; K14-A17 PolarHBondContact O-N 3.22Å; K14-A18 WeakPolarHBondContact O-CB 3.47Å; K14-A18 PolarHBondContact O-N 3.22Å |
| 15 | F | 86.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.8 | -36.9 | 175.6 | -76.6 | -45 | 0 | 0 | 0 | 112.8 | V11 K12 A18 A19 V34 F35 I38 L49 A52 | V11-F15 HydrophobicContact CG1-CD2 3.56Å; V11-F15 HydrophobicContact CG1-CE2 3.32Å; V11-F15 HydrophobicContact CG1-CZ 4.26Å; V11-F15 WeakPolarHBondContact O-CD2 3.35Å; V11-F15 PolarHBondContact O-N 3.35Å; K12-F15 PolarHBondContact O-N 3.42Å; F15-A18 PolarHBondContact O-N 2.95Å; F15-A19 VanDerWaalsContact O-CB 3.24Å; F15-A19 WeakPolarHBondContact O-CB 3.4Å; F15-A19 PolarHBondContact O-N 3.1Å; F15-V34 HydrophobicContact CD1-CG1 4.15Å; F15-V34 HydrophobicContact CE1-CG1 4.19Å; F15-F35 HydrophobicContact CE1-CB 4.14Å; F15-F35 HydrophobicContact CE1-CD2 4Å; F15-F35 AromaticContact CZ-CD2 3.74Å; F15-F35 HydrophobicContact CZ-CD2 3.74Å; F15-F35 HydrophobicContact CZ-CE2 4.49Å; F15-F35 HydrophobicContact CZ-CG 4.5Å; F15-I38 HydrophobicContact CD1-CD1 4.1Å; F15-I38 HydrophobicContact CD2-CD1 4.45Å; F15-I38 HydrophobicContact CE1-CD1 3.43Å; F15-I38 VanDerWaalsContact CE1-CD1 3.43Å; F15-I38 HydrophobicContact CE2-CD1 3.85Å; F15-I38 HydrophobicContact CZ-CD1 3.29Å; F15-L49 HydrophobicContact CB-CD1 3.99Å; F15-L49 HydrophobicContact CD1-CD1 3.91Å; F15-L49 HydrophobicContact CD2-CB 4.22Å; F15-L49 HydrophobicContact CE2-CB 4.3Å; F15-L49 HydrophobicContact CG-CB 4.41Å; F15-L49 HydrophobicContact CG-CD1 3.95Å; F15-A52 HydrophobicContact CB-CB 3.66Å |
| 16 | T | 86 | Confident | 82 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 14% | 0.135 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175 | -63.8 | 0 | 0 | 0 | 0 | 111 | K12 E13 A19 R20 V56 | K12-T16 WeakPolarHBondContact O-CB 3.46Å; K12-T16 PolarHBondContact O-N 3.02Å; K12-T16 PolarHBondContact O-OG1 3.43Å; E13-T16 PolarHBondContact O-N 2.87Å; T16-A19 PolarHBondContact O-N 3.19Å; T16-R20 WeakPolarHBondContact O-CG 3.35Å; T16-R20 PolarHBondContact O-N 3.02Å; T16-V56 HydrophobicContact CG2-CG2 3.82Å |
| 17 | A | 85.8 | Confident | 81.9 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 49% | 0.488 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E13 K14 A19 R20 Q21 | E13-A17 PolarHBondContact O-N 2.87Å; K14-A17 PolarHBondContact O-N 3.22Å; A17-A19 VanDerWaalsContact C-N 3.34Å; A17-A19 PolarHBondContact O-N 3.24Å; A17-R20 PolarHBondContact O-N 3.04Å; A17-Q21 PolarHBondContact O-N 3.27Å |
| 18 | A | 83.8 | Confident | 81.6 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63 | -38.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K14 F15 Q21 A22 L31 V34 | K14-A18 WeakPolarHBondContact O-CB 3.47Å; K14-A18 PolarHBondContact O-N 3.22Å; F15-A18 PolarHBondContact O-N 2.95Å; A18-Q21 PolarHBondContact O-N 3.06Å; A18-A22 VanDerWaalsContact O-CB 3.23Å; A18-A22 WeakPolarHBondContact O-CB 3.32Å; A18-A22 PolarHBondContact O-N 3.43Å; A18-L31 HydrophobicContact CB-CD1 3.98Å; A18-V34 HydrophobicContact CB-CB 4.23Å; A18-V34 HydrophobicContact CB-CG1 4.22Å; A18-V34 HydrophobicContact CB-CG2 4.01Å |
| 19 | A | 83.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | F15 T16 A17 Q21 A22 L23 L31 L53 V56 | F15-A19 VanDerWaalsContact O-CB 3.24Å; F15-A19 WeakPolarHBondContact O-CB 3.4Å; F15-A19 PolarHBondContact O-N 3.1Å; T16-A19 PolarHBondContact O-N 3.19Å; A17-A19 VanDerWaalsContact C-N 3.34Å; A17-A19 PolarHBondContact O-N 3.24Å; A19-Q21 VanDerWaalsContact C-N 3.33Å; A19-Q21 PolarHBondContact O-N 3.19Å; A19-A22 PolarHBondContact O-N 3.17Å; A19-L23 WeakPolarHBondContact O-CB 3.46Å; A19-L23 WeakPolarHBondContact O-CG 3.38Å; A19-L23 PolarHBondContact O-N 3.1Å; A19-L31 HydrophobicContact CB-CD1 4.39Å; A19-L53 HydrophobicContact CB-CD2 4Å; A19-V56 HydrophobicContact CB-CG2 4.13Å |
| 20 | R | 83.8 | Confident | 81.2 | Confident | 132 Ų | 132 | 66.8 Ų | 66.8 | 50% | 0.498 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 174 | -71.3 | 179.8 | -178.3 | 166.3 | 0.3 | 111.8 | T16 A17 L23 S24 V56 D59 | T16-R20 WeakPolarHBondContact O-CG 3.35Å; T16-R20 PolarHBondContact O-N 3.02Å; A17-R20 PolarHBondContact O-N 3.04Å; R20-L23 WeakPolarHBondContact O-CB 3.18Å; R20-L23 PolarHBondContact O-N 3.12Å; R20-S24 PolarHBondContact O-N 3.05Å; R20-S24 VanDerWaalsContact O-N 3.16Å; R20-V56 HydrophobicContact CG-CG1 4.34Å; R20-V56 HydrophobicContact CG-CG2 4.13Å; R20-D59 IonicContact CZ-OD2 3.91Å; R20-D59 IonicContact NH2-OD2 3.11Å; R20-D59 PolarHBondContact NH2-OD2 3.05Å |
| 21 | Q | 81.5 | Confident | 81.1 | Confident | 110 Ų | 110 | 63 Ų | 63 | 51% | 0.514 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 175.6 | -169 | 169 | 3.9 | 0 | 0 | 111.7 | A17 A18 A19 L23 S24 G25 H30 | A17-Q21 PolarHBondContact O-N 3.27Å; A18-Q21 PolarHBondContact O-N 3.06Å; A19-Q21 VanDerWaalsContact C-N 3.33Å; A19-Q21 PolarHBondContact O-N 3.19Å; Q21-L23 VanDerWaalsContact C-N 3.32Å; Q21-L23 PolarHBondContact O-N 3.02Å; Q21-S24 PolarHBondContact O-N 3.33Å; Q21-S24 PolarHBondContact O-OG 2.78Å; Q21-G25 PolarHBondContact O-N 3.13Å; Q21-H30 PolarHBondContact OE1-NE2 3.33Å; Q21-H30 VanDerWaalsContact OE1-NE2 3.1Å |
| 22 | A | 79.1 | Confident | 81 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.9 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A18 A19 G25 K26 T27 L77 | A18-A22 VanDerWaalsContact O-CB 3.23Å; A18-A22 WeakPolarHBondContact O-CB 3.32Å; A18-A22 PolarHBondContact O-N 3.43Å; A19-A22 PolarHBondContact O-N 3.17Å; A22-G25 PolarHBondContact O-N 3.37Å; A22-K26 WeakPolarHBondContact O-CA 3.29Å; A22-K26 PolarHBondContact O-N 2.98Å; A22-T27 WeakPolarHBondContact CB-O 3.19Å; A22-T27 PolarHBondContact O-N 3.46Å; A22-L77 HydrophobicContact CB-CD1 4.01Å; A22-L77 HydrophobicContact CB-CD2 3.87Å |
| 23 | L | 78.8 | Confident | 80.8 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 171.3 | -81.8 | 165.7 | 0 | 0 | 0 | 112 | A19 R20 Q21 G25 K26 V56 L74 L77 | A19-L23 WeakPolarHBondContact O-CB 3.46Å; A19-L23 WeakPolarHBondContact O-CG 3.38Å; A19-L23 PolarHBondContact O-N 3.1Å; R20-L23 WeakPolarHBondContact O-CB 3.18Å; R20-L23 PolarHBondContact O-N 3.12Å; Q21-L23 VanDerWaalsContact C-N 3.32Å; Q21-L23 PolarHBondContact O-N 3.02Å; L23-G25 VanDerWaalsContact C-N 3.28Å; L23-G25 PolarHBondContact O-N 2.98Å; L23-K26 PolarHBondContact O-N 3.27Å; L23-V56 HydrophobicContact CD1-CG1 3.53Å; L23-L74 HydrophobicContact CD1-CD1 4.1Å; L23-L74 HydrophobicContact CD2-CB 3.83Å; L23-L74 HydrophobicContact CD2-CD1 4Å; L23-L74 HydrophobicContact CD2-CG 4.48Å; L23-L74 HydrophobicContact CG-CD1 4.22Å; L23-L77 HydrophobicContact CG-CD2 4.35Å |
| 24 | S | 75.8 | Confident | 80.6 | Confident | 102 Ų | 102 | 59 Ų | 59 | 71% | 0.713 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.8 | -34.4 | 178.3 | 71.7 | 0 | 0 | 0 | 0 | 112.9 | R20 Q21 | R20-S24 PolarHBondContact O-N 3.05Å; R20-S24 VanDerWaalsContact O-N 3.16Å; Q21-S24 PolarHBondContact O-N 3.33Å; Q21-S24 PolarHBondContact O-OG 2.78Å |
| 25 | G | 70.1 | Confident | 80.4 | Confident | 43 Ų | 43 | 54 Ų | 54 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -89.5 | -7.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q21 A22 L23 T27 | Q21-G25 PolarHBondContact O-N 3.13Å; A22-G25 PolarHBondContact O-N 3.37Å; L23-G25 VanDerWaalsContact C-N 3.28Å; L23-G25 PolarHBondContact O-N 2.98Å; G25-T27 WeakPolarHBondContact O-CG2 3.48Å; G25-T27 PolarHBondContact O-N 3.34Å; G25-T27 VanDerWaalsContact O-N 3.16Å |
| 26 | K | 73.4 | Confident | 80.2 | Confident | 163 Ų | 163 | 58.1 Ų | 58.1 | 71% | 0.709 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 36.2 | -171.1 | -61.8 | -174.9 | 176.8 | -176 | 0 | 113.9 | A22 L23 | A22-K26 WeakPolarHBondContact O-CA 3.29Å; A22-K26 PolarHBondContact O-N 2.98Å; L23-K26 PolarHBondContact O-N 3.27Å |
| 27 | T | 74.6 | Confident | 80.1 | Confident | 66 Ų | 66 | 64 Ų | 64 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | trans | -139.2 | 135.9 | 179.9 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | A22 G25 K29 | A22-T27 WeakPolarHBondContact CB-O 3.19Å; A22-T27 PolarHBondContact O-N 3.46Å; G25-T27 WeakPolarHBondContact O-CG2 3.48Å; G25-T27 PolarHBondContact O-N 3.34Å; G25-T27 VanDerWaalsContact O-N 3.16Å; T27-K29 VanDerWaalsContact C-N 3.3Å; T27-K29 PolarHBondContact O-N 3.47Å | ||
| 28 | C | 77.1 | Confident | 79.9 | Confident | 11 Ų | 11 | 62.2 Ų | 62.2 | 7% | 0.074 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -17.9 | 174.4 | -80.5 | 0 | 0 | 0 | 0 | 114.1 | H30 L31 I32 L77 D80 | C28-H30 VanDerWaalsContact C-N 3.26Å; C28-H30 PolarHBondContact O-N 3.44Å; C28-H30 VanDerWaalsContact O-N 3.1Å; C28-L31 WeakPolarHBondContact O-CA 3.42Å; C28-L31 WeakPolarHBondContact O-CB 3.35Å; C28-L31 PolarHBondContact O-N 3.26Å; C28-I32 HydrophobicContact CB-CG1 4.47Å; C28-I32 WeakPolarHBondContact O-CG1 3.44Å; C28-I32 PolarHBondContact O-N 3.14Å; C28-L77 HydrophobicContact CB-CD1 4.44Å; C28-L77 WeakPolarHBondContact SG-CD1 3.33Å; C28-L77 PolarHBondContact SG-O 2.7Å; C28-L77 VanDerWaalsContact SG-O 3.32Å; C28-D80 HydrophobicContact CB-CB 4.45Å; C28-D80 WeakPolarHBondContact SG-CB 3.49Å |
| 29 | K | 79.5 | Confident | 79.2 | Confident | 161 Ų | 161 | 66.1 Ų | 66.1 | 70% | 0.7 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -51.5 | -41.1 | -171.5 | -67.5 | -176.2 | 179.3 | 178.6 | 0 | 114.1 | T27 I32 T33 | T27-K29 VanDerWaalsContact C-N 3.3Å; T27-K29 PolarHBondContact O-N 3.47Å; K29-I32 PolarHBondContact O-N 3.18Å; K29-T33 PolarHBondContact O-N 3.31Å; K29-T33 VanDerWaalsContact O-N 3.13Å; K29-T33 PolarHBondContact O-OG1 2.79Å |
| 30 | H | 79.7 | Confident | 78.9 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 178.4 | -172.7 | 68.8 | 0 | 0 | 0 | 111.5 | Q21 C28 I32 T33 V34 | Q21-H30 PolarHBondContact OE1-NE2 3.33Å; Q21-H30 VanDerWaalsContact OE1-NE2 3.1Å; C28-H30 VanDerWaalsContact C-N 3.26Å; C28-H30 PolarHBondContact O-N 3.44Å; C28-H30 VanDerWaalsContact O-N 3.1Å; H30-I32 VanDerWaalsContact C-N 3.35Å; H30-I32 PolarHBondContact O-N 3.07Å; H30-T33 PolarHBondContact O-N 2.93Å; H30-V34 WeakPolarHBondContact O-CG2 3.3Å; H30-V34 PolarHBondContact O-N 3.39Å |
| 31 | L | 81.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.8 | -158.5 | 72.8 | 0 | 0 | 0 | 111.8 | A18 A19 C28 T33 V34 F35 L49 A81 | A18-L31 HydrophobicContact CB-CD1 3.98Å; A19-L31 HydrophobicContact CB-CD1 4.39Å; C28-L31 WeakPolarHBondContact O-CA 3.42Å; C28-L31 WeakPolarHBondContact O-CB 3.35Å; C28-L31 PolarHBondContact O-N 3.26Å; L31-T33 VanDerWaalsContact C-N 3.34Å; L31-T33 PolarHBondContact O-N 2.78Å; L31-V34 PolarHBondContact O-N 3.01Å; L31-F35 WeakPolarHBondContact O-CB 3.28Å; L31-F35 PolarHBondContact O-N 2.85Å; L31-L49 HydrophobicContact CD1-CD1 3.89Å; L31-L49 HydrophobicContact CD2-CD1 4.17Å; L31-L49 HydrophobicContact CD2-CD2 4.2Å; L31-L49 HydrophobicContact CG-CD1 4.22Å; L31-L49 HydrophobicContact CG-CD2 4.46Å; L31-A81 HydrophobicContact CD2-CB 4.23Å |
| 32 | I | 82.2 | Confident | 78.8 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61 | -45 | 176 | -41.7 | -160.9 | 0 | 0 | 0 | 111.2 | C28 K29 H30 V34 F35 S36 E84 I86 | C28-I32 HydrophobicContact CB-CG1 4.47Å; C28-I32 WeakPolarHBondContact O-CG1 3.44Å; C28-I32 PolarHBondContact O-N 3.14Å; K29-I32 PolarHBondContact O-N 3.18Å; H30-I32 VanDerWaalsContact C-N 3.35Å; H30-I32 PolarHBondContact O-N 3.07Å; I32-V34 VanDerWaalsContact C-N 3.34Å; I32-V34 PolarHBondContact O-N 3.02Å; I32-F35 PolarHBondContact O-N 3.08Å; I32-S36 PolarHBondContact O-N 2.8Å; I32-S36 PolarHBondContact O-OG 2.98Å; I32-E84 HydrophobicContact CD1-CB 4.11Å; I32-E84 HydrophobicContact CD1-CG 3.82Å; I32-I86 HydrophobicContact CB-CD1 3.75Å; I32-I86 HydrophobicContact CD1-CD1 3.79Å; I32-I86 HydrophobicContact CG1-CD1 3.34Å; I32-I86 HydrophobicContact CG2-CD1 3.78Å |
| 33 | T | 82.3 | Confident | 79 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | -178.3 | -53.5 | 0 | 0 | 0 | 0 | 111 | K29 H30 L31 S36 Q37 | K29-T33 PolarHBondContact O-N 3.31Å; K29-T33 VanDerWaalsContact O-N 3.13Å; K29-T33 PolarHBondContact O-OG1 2.79Å; H30-T33 PolarHBondContact O-N 2.93Å; L31-T33 VanDerWaalsContact C-N 3.34Å; L31-T33 PolarHBondContact O-N 2.78Å; T33-S36 PolarHBondContact O-OG 2.86Å; T33-Q37 VanDerWaalsContact O-CG 3.22Å; T33-Q37 WeakPolarHBondContact O-CG 3.22Å; T33-Q37 PolarHBondContact O-N 3.19Å |
| 34 | V | 81.4 | Confident | 79.3 | Confident | 21 Ų | 21 | 73.1 Ų | 73.1 | 13% | 0.127 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.3 | -38.9 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | F15 A18 H30 L31 I32 S36 Q37 I38 | F15-V34 HydrophobicContact CD1-CG1 4.15Å; F15-V34 HydrophobicContact CE1-CG1 4.19Å; A18-V34 HydrophobicContact CB-CB 4.23Å; A18-V34 HydrophobicContact CB-CG1 4.22Å; A18-V34 HydrophobicContact CB-CG2 4.01Å; H30-V34 WeakPolarHBondContact O-CG2 3.3Å; H30-V34 PolarHBondContact O-N 3.39Å; L31-V34 PolarHBondContact O-N 3.01Å; I32-V34 VanDerWaalsContact C-N 3.34Å; I32-V34 PolarHBondContact O-N 3.02Å; V34-S36 PolarHBondContact O-N 3.29Å; V34-Q37 PolarHBondContact O-N 2.9Å; V34-I38 HydrophobicContact CG1-CD1 3.94Å; V34-I38 WeakPolarHBondContact O-CD1 3.45Å; V34-I38 WeakPolarHBondContact O-CG1 3.49Å; V34-I38 PolarHBondContact O-N 3.5Å |
| 35 | F | 83.1 | Confident | 79.7 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 10% | 0.096 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 178.2 | -173.5 | -90.5 | 0 | 0 | 0 | 113.2 | F15 L31 I32 K45 K46 L49 I86 | F15-F35 HydrophobicContact CE1-CB 4.14Å; F15-F35 HydrophobicContact CE1-CD2 4Å; F15-F35 AromaticContact CZ-CD2 3.74Å; F15-F35 HydrophobicContact CZ-CD2 3.74Å; F15-F35 HydrophobicContact CZ-CE2 4.49Å; F15-F35 HydrophobicContact CZ-CG 4.5Å; L31-F35 WeakPolarHBondContact O-CB 3.28Å; L31-F35 PolarHBondContact O-N 2.85Å; I32-F35 PolarHBondContact O-N 3.08Å; F35-K45 HydrophobicContact CD2-CB 4.21Å; F35-K45 HydrophobicContact CE1-CD 4.48Å; F35-K45 HydrophobicContact CE2-CB 3.46Å; F35-K45 VanDerWaalsContact CE2-CB 3.46Å; F35-K45 HydrophobicContact CE2-CD 4.45Å; F35-K45 HydrophobicContact CZ-CB 3.75Å; F35-K45 HydrophobicContact CZ-CD 4.23Å; F35-K46 HydrophobicContact CE2-CG 4.36Å; F35-K46 HydrophobicContact CZ-CG 4.14Å; F35-L49 HydrophobicContact CD2-CD2 4.12Å; F35-L49 HydrophobicContact CE2-CD2 4.48Å; F35-I86 HydrophobicContact CB-CG2 3.75Å; F35-I86 HydrophobicContact CD1-CG2 3.81Å; F35-I86 HydrophobicContact CD2-CG2 3.34Å; F35-I86 HydrophobicContact CE1-CG2 4.19Å; F35-I86 HydrophobicContact CE2-CG2 3.74Å; F35-I86 WeakPolarHBondContact CE2-O 3.47Å; F35-I86 HydrophobicContact CG-CG2 3.37Å; F35-I86 HydrophobicContact CZ-CG2 4.15Å |
| 36 | S | 81.9 | Confident | 80.5 | Confident | 87 Ų | 87 | 70 Ų | 70 | 61% | 0.608 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -72.8 | -28.5 | 177.9 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | I32 T33 V34 | I32-S36 PolarHBondContact O-N 2.8Å; I32-S36 PolarHBondContact O-OG 2.98Å; T33-S36 PolarHBondContact O-OG 2.86Å; V34-S36 PolarHBondContact O-N 3.29Å |
| 37 | Q | 83.3 | Confident | 81.1 | Confident | 145 Ų | 145 | 65.1 Ų | 65.1 | 68% | 0.678 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -75.9 | -25.1 | 179 | -75.4 | 174.3 | 0.5 | 0 | 0 | 113.9 | T33 V34 | T33-Q37 VanDerWaalsContact O-CG 3.22Å; T33-Q37 WeakPolarHBondContact O-CG 3.22Å; T33-Q37 PolarHBondContact O-N 3.19Å; V34-Q37 PolarHBondContact O-N 2.9Å |
| 38 | I | 81.6 | Confident | 81.8 | Confident | 22 Ų | 22 | 62 Ų | 62 | 11% | 0.113 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -76.5 | 134.2 | -179.8 | -67.8 | 158.9 | 0 | 0 | 0 | 109.1 | F6 V11 F15 V34 K45 | F6-I38 HydrophobicContact CE2-CG2 4.08Å; V11-I38 HydrophobicContact CG1-CD1 4.09Å; V11-I38 HydrophobicContact CG1-CG2 4.19Å; V11-I38 HydrophobicContact CG2-CG2 4.08Å; F15-I38 HydrophobicContact CD1-CD1 4.1Å; F15-I38 HydrophobicContact CD2-CD1 4.45Å; F15-I38 HydrophobicContact CE1-CD1 3.43Å; F15-I38 VanDerWaalsContact CE1-CD1 3.43Å; F15-I38 HydrophobicContact CE2-CD1 3.85Å; F15-I38 HydrophobicContact CZ-CD1 3.29Å; V34-I38 HydrophobicContact CG1-CD1 3.94Å; V34-I38 WeakPolarHBondContact O-CD1 3.45Å; V34-I38 WeakPolarHBondContact O-CG1 3.49Å; V34-I38 PolarHBondContact O-N 3.5Å; I38-K45 HydrophobicContact CG2-CG 4.44Å; I38-K45 WeakPolarHBondContact O-CE 3.5Å; I38-K45 PolarHBondContact O-NZ 2.88Å |
| 39 | S | 70.5 | Confident | 82.3 | Confident | 85 Ų | 85 | 61.4 Ų | 61.4 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | trans | -88.7 | 140 | 172.3 | 39.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 40 | G | 75.7 | Confident | 82.7 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 147.3 | 172.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K45 | G40-K45 WeakPolarHBondContact O-CE 3.43Å; G40-K45 PolarHBondContact O-NZ 3.45Å |
| 41 | N | 82.5 | Confident | 83.2 | Confident | 90 Ų | 90 | 56 Ų | 56 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | trans | -64.7 | 137.5 | 176.4 | -172.7 | 11.4 | 0 | 0 | 0 | 110.6 | T43 E44 K45 | N41-T43 VanDerWaalsContact C-N 3.27Å; N41-T43 PolarHBondContact O-N 3.35Å; N41-E44 HydrophobicContact CB-CB 4.31Å; N41-E44 HydrophobicContact CB-CG 4.07Å; N41-E44 WeakPolarHBondContact CB-OE2 3.37Å; N41-E44 PolarHBondContact O-N 3.11Å; N41-K45 WeakPolarHBondContact O-CG 3.45Å; N41-K45 PolarHBondContact O-N 3.08Å; N41-K45 VanDerWaalsContact O-N 3.08Å | ||
| 42 | E | 81.4 | Confident | 83.6 | Confident | 120 Ų | 120 | 56 Ų | 56 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.5 | -38.4 | -177.8 | -75.2 | -164.7 | 162.5 | 0 | 0 | 112.4 | E44 K45 K46 | E42-E44 VanDerWaalsContact C-N 3.34Å; E42-E44 PolarHBondContact O-N 3.07Å; E42-K45 PolarHBondContact O-N 3.36Å; E42-K46 WeakPolarHBondContact O-CB 3.26Å; E42-K46 VanDerWaalsContact O-CG 3.26Å; E42-K46 WeakPolarHBondContact O-CG 3.22Å; E42-K46 PolarHBondContact O-N 3.31Å |
| 43 | T | 83.4 | Confident | 83.9 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 56% | 0.558 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65 | -38 | -179.9 | -34.7 | 0 | 0 | 0 | 0 | 112.1 | N41 T47 | N41-T43 VanDerWaalsContact C-N 3.27Å; N41-T43 PolarHBondContact O-N 3.35Å; T43-T47 WeakPolarHBondContact O-CB 3.37Å; T43-T47 WeakPolarHBondContact O-CG2 3.45Å; T43-T47 PolarHBondContact O-N 3.24Å; T43-T47 PolarHBondContact O-OG1 3.41Å |
| 44 | E | 84.1 | Confident | 84.3 | Confident | 79 Ų | 79 | 56.2 Ų | 56.2 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | 177.5 | -67.1 | 174.1 | 163.2 | 0 | 0 | 111.2 | F6 N41 E42 T47 T48 | F6-E44 HydrophobicContact CD1-CB 4.21Å; F6-E44 HydrophobicContact CE1-CB 4Å; F6-E44 HydrophobicContact CZ-CB 4.27Å; N41-E44 HydrophobicContact CB-CB 4.31Å; N41-E44 HydrophobicContact CB-CG 4.07Å; N41-E44 WeakPolarHBondContact CB-OE2 3.37Å; N41-E44 PolarHBondContact O-N 3.11Å; E42-E44 VanDerWaalsContact C-N 3.34Å; E42-E44 PolarHBondContact O-N 3.07Å; E44-T47 WeakPolarHBondContact CA-OG1 3.49Å; E44-T47 PolarHBondContact O-OG1 3.31Å; E44-T48 WeakPolarHBondContact O-CB 3.37Å; E44-T48 PolarHBondContact O-N 3.21Å; E44-T48 PolarHBondContact O-OG1 2.88Å |
| 45 | K | 85.1 | Confident | 84.7 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 10% | 0.1 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 173.6 | -67.1 | 172 | 177.2 | 176 | 0 | 112.3 | F6 F35 I38 G40 N41 E42 T48 L49 | F6-K45 HydrophobicContact CE2-CG 4.02Å; F6-K45 HydrophobicContact CZ-CG 4.39Å; F35-K45 HydrophobicContact CD2-CB 4.21Å; F35-K45 HydrophobicContact CE1-CD 4.48Å; F35-K45 HydrophobicContact CE2-CB 3.46Å; F35-K45 VanDerWaalsContact CE2-CB 3.46Å; F35-K45 HydrophobicContact CE2-CD 4.45Å; F35-K45 HydrophobicContact CZ-CB 3.75Å; F35-K45 HydrophobicContact CZ-CD 4.23Å; I38-K45 HydrophobicContact CG2-CG 4.44Å; I38-K45 WeakPolarHBondContact O-CE 3.5Å; I38-K45 PolarHBondContact O-NZ 2.88Å; G40-K45 WeakPolarHBondContact O-CE 3.43Å; G40-K45 PolarHBondContact O-NZ 3.45Å; N41-K45 WeakPolarHBondContact O-CG 3.45Å; N41-K45 PolarHBondContact O-N 3.08Å; N41-K45 VanDerWaalsContact O-N 3.08Å; E42-K45 PolarHBondContact O-N 3.36Å; K45-T48 VanDerWaalsContact CA-OG1 3.25Å; K45-T48 WeakPolarHBondContact CA-OG1 3.33Å; K45-T48 PolarHBondContact O-N 2.99Å; K45-T48 PolarHBondContact O-OG1 2.88Å; K45-L49 VanDerWaalsContact O-CB 3.31Å; K45-L49 WeakPolarHBondContact O-CB 3.31Å; K45-L49 PolarHBondContact O-N 3.06Å |
| 46 | K | 86.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 25% | 0.248 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -48.7 | 177.5 | -75.1 | 179.1 | 178.8 | -173.5 | 0 | 110.9 | F35 E42 L49 D50 G85 I86 | F35-K46 HydrophobicContact CE2-CG 4.36Å; F35-K46 HydrophobicContact CZ-CG 4.14Å; E42-K46 WeakPolarHBondContact O-CB 3.26Å; E42-K46 VanDerWaalsContact O-CG 3.26Å; E42-K46 WeakPolarHBondContact O-CG 3.22Å; E42-K46 PolarHBondContact O-N 3.31Å; K46-L49 PolarHBondContact O-N 3.11Å; K46-D50 WeakPolarHBondContact O-CB 3.41Å; K46-D50 PolarHBondContact O-N 3.47Å; K46-G85 WeakPolarHBondContact CE-O 3.43Å; K46-G85 PolarHBondContact NZ-O 2.86Å; K46-I86 WeakPolarHBondContact CG-O 3.21Å |
| 47 | T | 86.6 | Confident | 85.1 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 37% | 0.368 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | -180 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | T43 E44 Q51 | T43-T47 WeakPolarHBondContact O-CB 3.37Å; T43-T47 WeakPolarHBondContact O-CG2 3.45Å; T43-T47 PolarHBondContact O-N 3.24Å; T43-T47 PolarHBondContact O-OG1 3.41Å; E44-T47 WeakPolarHBondContact CA-OG1 3.49Å; E44-T47 PolarHBondContact O-OG1 3.31Å; T47-Q51 WeakPolarHBondContact O-CG 3.24Å; T47-Q51 PolarHBondContact O-N 3.44Å |
| 48 | T | 88.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 171.4 | 30.4 | 0 | 0 | 0 | 0 | 111.9 | F6 F8 V11 E44 K45 Q51 A52 | F6-T48 HydrophobicContact CE1-CG2 3.68Å; F6-T48 HydrophobicContact CZ-CG2 3.92Å; F8-T48 HydrophobicContact CD1-CG2 3.27Å; F8-T48 HydrophobicContact CD2-CG2 3.99Å; F8-T48 HydrophobicContact CE1-CG2 3.17Å; F8-T48 HydrophobicContact CE2-CG2 3.89Å; F8-T48 HydrophobicContact CG-CG2 3.69Å; F8-T48 HydrophobicContact CZ-CG2 3.49Å; F8-T48 VanDerWaalsContact CZ-CG2 3.49Å; V11-T48 HydrophobicContact CG1-CG2 4.33Å; E44-T48 WeakPolarHBondContact O-CB 3.37Å; E44-T48 PolarHBondContact O-N 3.21Å; E44-T48 PolarHBondContact O-OG1 2.88Å; K45-T48 VanDerWaalsContact CA-OG1 3.25Å; K45-T48 WeakPolarHBondContact CA-OG1 3.33Å; K45-T48 PolarHBondContact O-N 2.99Å; K45-T48 PolarHBondContact O-OG1 2.88Å; T48-Q51 PolarHBondContact O-N 3.49Å; T48-A52 WeakPolarHBondContact O-CB 3.35Å; T48-A52 PolarHBondContact O-N 3.17Å |
| 49 | L | 87.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 177.5 | 179.8 | 58.4 | 0 | 0 | 0 | 111.8 | F15 L31 F35 K45 K46 Q51 A52 L53 I86 C87 | F15-L49 HydrophobicContact CB-CD1 3.99Å; F15-L49 HydrophobicContact CD1-CD1 3.91Å; F15-L49 HydrophobicContact CD2-CB 4.22Å; F15-L49 HydrophobicContact CE2-CB 4.3Å; F15-L49 HydrophobicContact CG-CB 4.41Å; F15-L49 HydrophobicContact CG-CD1 3.95Å; L31-L49 HydrophobicContact CD1-CD1 3.89Å; L31-L49 HydrophobicContact CD2-CD1 4.17Å; L31-L49 HydrophobicContact CD2-CD2 4.2Å; L31-L49 HydrophobicContact CG-CD1 4.22Å; L31-L49 HydrophobicContact CG-CD2 4.46Å; F35-L49 HydrophobicContact CD2-CD2 4.12Å; F35-L49 HydrophobicContact CE2-CD2 4.48Å; K45-L49 VanDerWaalsContact O-CB 3.31Å; K45-L49 WeakPolarHBondContact O-CB 3.31Å; K45-L49 PolarHBondContact O-N 3.06Å; K46-L49 PolarHBondContact O-N 3.11Å; L49-Q51 VanDerWaalsContact C-N 3.3Å; L49-Q51 PolarHBondContact O-N 3Å; L49-A52 WeakPolarHBondContact O-CB 3.4Å; L49-A52 PolarHBondContact O-N 3.2Å; L49-A52 VanDerWaalsContact O-N 3.11Å; L49-L53 HydrophobicContact CD1-CG 4.37Å; L49-L53 HydrophobicContact CG-CD1 4.42Å; L49-L53 WeakPolarHBondContact O-CG 3.47Å; L49-L53 PolarHBondContact O-N 3.5Å; L49-I86 HydrophobicContact CD2-CG2 3.59Å; L49-C87 WeakPolarHBondContact CD2-SG 3.2Å |
| 50 | D | 89.1 | Confident | 86 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 11% | 0.112 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.6 | -44.8 | 174.2 | -70.7 | -16.3 | 0 | 0 | 0 | 111 | K46 R54 S88 I91 | K46-D50 WeakPolarHBondContact O-CB 3.41Å; K46-D50 PolarHBondContact O-N 3.47Å; D50-R54 PolarHBondContact O-N 3.34Å; D50-R54 VanDerWaalsContact O-N 3.07Å; D50-S88 PolarHBondContact OD1-N 3.31Å; D50-S88 WeakPolarHBondContact OD2-CB 3.29Å; D50-I91 HydrophobicContact CB-CD1 3.87Å; D50-I91 HydrophobicContact CB-CG1 4.16Å |
| 51 | Q | 89.1 | Confident | 86.4 | Confident | 94 Ų | 94 | 44.9 Ų | 44.9 | 44% | 0.439 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.6 | -35.2 | 175.5 | -72.7 | -175.1 | 6.5 | 0 | 0 | 113.2 | T47 T48 L49 G55 | T47-Q51 WeakPolarHBondContact O-CG 3.24Å; T47-Q51 PolarHBondContact O-N 3.44Å; T48-Q51 PolarHBondContact O-N 3.49Å; L49-Q51 VanDerWaalsContact C-N 3.3Å; L49-Q51 PolarHBondContact O-N 3Å; Q51-G55 PolarHBondContact O-N 3.21Å |
| 52 | A | 89.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K12 F15 T48 L49 G55 V56 | K12-A52 HydrophobicContact CG-CB 4.31Å; F15-A52 HydrophobicContact CB-CB 3.66Å; T48-A52 WeakPolarHBondContact O-CB 3.35Å; T48-A52 PolarHBondContact O-N 3.17Å; L49-A52 WeakPolarHBondContact O-CB 3.4Å; L49-A52 PolarHBondContact O-N 3.2Å; L49-A52 VanDerWaalsContact O-N 3.11Å; A52-G55 PolarHBondContact O-N 3.34Å; A52-V56 WeakPolarHBondContact O-CG2 3.48Å; A52-V56 PolarHBondContact O-N 3.42Å |
| 53 | L | 88.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 175.4 | -69.9 | 172.1 | 0 | 0 | 0 | 111.7 | A19 L49 G55 V56 L57 L74 I91 L95 | A19-L53 HydrophobicContact CB-CD2 4Å; L49-L53 HydrophobicContact CD1-CG 4.37Å; L49-L53 HydrophobicContact CG-CD1 4.42Å; L49-L53 WeakPolarHBondContact O-CG 3.47Å; L49-L53 PolarHBondContact O-N 3.5Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 3.5Å; L53-V56 PolarHBondContact O-N 2.76Å; L53-L57 PolarHBondContact O-N 3.03Å; L53-L74 HydrophobicContact CD2-CD1 3.9Å; L53-I91 HydrophobicContact CD1-CG1 4.45Å; L53-L95 HydrophobicContact CB-CD1 4.36Å |
| 54 | R | 90.4 | Very high | 85.2 | Confident | 125 Ų | 125 | 51.2 Ų | 51.2 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 175.8 | -161 | -179.6 | -168.1 | -171.2 | 3.5 | 112.5 | D50 L57 G58 L95 D98 | D50-R54 PolarHBondContact O-N 3.34Å; D50-R54 VanDerWaalsContact O-N 3.07Å; R54-L57 PolarHBondContact O-N 3.14Å; R54-G58 PolarHBondContact O-N 3.5Å; R54-L95 HydrophobicContact CB-CD2 4.08Å; R54-L95 HydrophobicContact CG-CD2 4.23Å; R54-D98 IonicContact CZ-OD1 2.89Å; R54-D98 IonicContact CZ-OD2 3.34Å; R54-D98 VanDerWaalsContact CZ-OD2 3.28Å; R54-D98 IonicContact NE-OD1 2.71Å; R54-D98 IonicContact NE-OD2 2.59Å; R54-D98 PolarHBondContact NE-OD2 3.26Å; R54-D98 VanDerWaalsContact NH2-CG 3.34Å; R54-D98 IonicContact NH2-OD1 3.81Å; R54-D98 PolarHBondContact NH2-OD1 3.37Å; R54-D98 IonicContact NH2-OD2 3.65Å; R54-D98 PolarHBondContact NH2-OD2 3.47Å; R54-D98 VanDerWaalsContact NH2-OD2 3.08Å |
| 55 | G | 88.9 | Confident | 83.7 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q51 A52 L53 L57 G58 D59 | Q51-G55 PolarHBondContact O-N 3.21Å; A52-G55 PolarHBondContact O-N 3.34Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 3.5Å; G55-L57 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 3.15Å; G55-G58 PolarHBondContact O-N 3.38Å; G55-G58 VanDerWaalsContact O-N 3.14Å; G55-D59 PolarHBondContact O-N 2.99Å |
| 56 | V | 87.1 | Confident | 82.2 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 175.4 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | T16 A19 R20 L23 A52 L53 D59 Q60 L74 | T16-V56 HydrophobicContact CG2-CG2 3.82Å; A19-V56 HydrophobicContact CB-CG2 4.13Å; R20-V56 HydrophobicContact CG-CG1 4.34Å; R20-V56 HydrophobicContact CG-CG2 4.13Å; L23-V56 HydrophobicContact CD1-CG1 3.53Å; A52-V56 WeakPolarHBondContact O-CG2 3.48Å; A52-V56 PolarHBondContact O-N 3.42Å; L53-V56 PolarHBondContact O-N 2.76Å; V56-D59 PolarHBondContact O-N 3.22Å; V56-Q60 WeakPolarHBondContact O-CG 3.44Å; V56-Q60 PolarHBondContact O-N 2.99Å; V56-Q60 VanDerWaalsContact O-N 3.07Å; V56-L74 HydrophobicContact CG1-CD2 4.39Å |
| 57 | L | 87.1 | Confident | 81.3 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 174.3 | -179.6 | 67.3 | 0 | 0 | 0 | 111.6 | L53 R54 G55 D59 Q60 I61 Y71 L74 L95 D98 V99 | L53-L57 PolarHBondContact O-N 3.03Å; R54-L57 PolarHBondContact O-N 3.14Å; G55-L57 VanDerWaalsContact C-N 3.3Å; G55-L57 PolarHBondContact O-N 3.15Å; L57-D59 VanDerWaalsContact C-N 3.34Å; L57-D59 PolarHBondContact O-N 3.34Å; L57-Q60 WeakPolarHBondContact O-CB 3.16Å; L57-Q60 PolarHBondContact O-N 2.92Å; L57-Q60 VanDerWaalsContact O-N 3.16Å; L57-I61 HydrophobicContact CD1-CD1 4.18Å; L57-I61 HydrophobicContact CD1-CG1 4.38Å; L57-I61 HydrophobicContact CD2-CD1 4.32Å; L57-I61 HydrophobicContact CG-CD1 3.85Å; L57-I61 HydrophobicContact CG-CG1 4.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.33Å; L57-I61 PolarHBondContact O-N 3.45Å; L57-Y71 HydrophobicContact CD1-CD1 3.81Å; L57-Y71 HydrophobicContact CD1-CE1 4.47Å; L57-L74 HydrophobicContact CB-CD2 3.65Å; L57-L74 HydrophobicContact CD1-CD2 3.94Å; L57-L74 HydrophobicContact CG-CD2 4.38Å; L57-L95 HydrophobicContact CB-CD2 4.16Å; L57-L95 HydrophobicContact CD2-CB 4.12Å; L57-L95 HydrophobicContact CD2-CD2 3.65Å; L57-L95 HydrophobicContact CD2-CG 4.48Å; L57-D98 HydrophobicContact CD2-CB 4.12Å; L57-V99 HydrophobicContact CD1-CG2 3.5Å; L57-V99 HydrophobicContact CD2-CG2 3.76Å; L57-V99 HydrophobicContact CG-CG2 4.17Å |
| 58 | G | 86.1 | Confident | 80.4 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.4 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R54 G55 Q60 I61 I62 | R54-G58 PolarHBondContact O-N 3.5Å; G55-G58 PolarHBondContact O-N 3.38Å; G55-G58 VanDerWaalsContact O-N 3.14Å; G58-Q60 VanDerWaalsContact C-N 3.35Å; G58-Q60 PolarHBondContact O-N 3.48Å; G58-I61 PolarHBondContact O-N 2.9Å; G58-I62 VanDerWaalsContact O-CG1 3.27Å; G58-I62 WeakPolarHBondContact O-CG1 3.23Å; G58-I62 PolarHBondContact O-N 3.38Å |
| 59 | D | 86.3 | Confident | 79.8 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 175.3 | -63.7 | -20.9 | 0 | 0 | 0 | 111.2 | R20 G55 V56 L57 I61 I62 E63 | R20-D59 IonicContact CZ-OD2 3.91Å; R20-D59 IonicContact NH2-OD2 3.11Å; R20-D59 PolarHBondContact NH2-OD2 3.05Å; G55-D59 PolarHBondContact O-N 2.99Å; V56-D59 PolarHBondContact O-N 3.22Å; L57-D59 VanDerWaalsContact C-N 3.34Å; L57-D59 PolarHBondContact O-N 3.34Å; D59-I61 VanDerWaalsContact C-N 3.34Å; D59-I61 PolarHBondContact O-N 3.19Å; D59-I62 PolarHBondContact O-N 3.4Å; D59-E63 WeakPolarHBondContact O-CB 3.38Å; D59-E63 WeakPolarHBondContact O-CG 3.2Å; D59-E63 PolarHBondContact O-N 3.45Å |
| 60 | Q | 82.1 | Confident | 79.4 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 178.2 | -74.6 | -176.3 | -17.9 | 0 | 0 | 113.4 | V56 L57 G58 T66 Y71 | V56-Q60 WeakPolarHBondContact O-CG 3.44Å; V56-Q60 PolarHBondContact O-N 2.99Å; V56-Q60 VanDerWaalsContact O-N 3.07Å; L57-Q60 WeakPolarHBondContact O-CB 3.16Å; L57-Q60 PolarHBondContact O-N 2.92Å; L57-Q60 VanDerWaalsContact O-N 3.16Å; G58-Q60 VanDerWaalsContact C-N 3.35Å; G58-Q60 PolarHBondContact O-N 3.48Å; Q60-T66 PolarHBondContact O-OG1 2.97Å; Q60-T66 VanDerWaalsContact O-OG1 3.11Å; Q60-Y71 HydrophobicContact CB-CD1 4.4Å; Q60-Y71 HydrophobicContact CB-CE1 3.87Å; Q60-Y71 PolarHBondContact O-OH 3Å |
| 61 | I | 83.1 | Confident | 79 | Confident | 32 Ų | 32 | 63 Ų | 63 | 16% | 0.164 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.2 | -43.6 | 177.6 | -68 | 170.1 | 0 | 0 | 0 | 110.2 | L57 G58 D59 Q64 Y71 C102 | L57-I61 HydrophobicContact CD1-CD1 4.18Å; L57-I61 HydrophobicContact CD1-CG1 4.38Å; L57-I61 HydrophobicContact CD2-CD1 4.32Å; L57-I61 HydrophobicContact CG-CD1 3.85Å; L57-I61 HydrophobicContact CG-CG1 4.42Å; L57-I61 WeakPolarHBondContact O-CG1 3.33Å; L57-I61 PolarHBondContact O-N 3.45Å; G58-I61 PolarHBondContact O-N 2.9Å; D59-I61 VanDerWaalsContact C-N 3.34Å; D59-I61 PolarHBondContact O-N 3.19Å; I61-Q64 WeakPolarHBondContact O-CG 3.4Å; I61-Q64 PolarHBondContact O-N 3.24Å; I61-Y71 HydrophobicContact CG1-CD1 4.48Å; I61-Y71 HydrophobicContact CG1-CE1 3.77Å; I61-C102 HydrophobicContact CD1-CB 4.12Å; I61-C102 HydrophobicContact CG2-CB 3.92Å |
| 62 | I | 83.1 | Confident | 78.7 | Confident | 134 Ų | 134 | 59.6 Ų | 59.6 | 69% | 0.687 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.3 | -41.3 | -179.1 | -68.1 | 166.2 | 0 | 0 | 0 | 111.3 | G58 D59 Q64 | G58-I62 VanDerWaalsContact O-CG1 3.27Å; G58-I62 WeakPolarHBondContact O-CG1 3.23Å; G58-I62 PolarHBondContact O-N 3.38Å; D59-I62 PolarHBondContact O-N 3.4Å; I62-Q64 PolarHBondContact O-N 2.72Å; I62-Q64 VanDerWaalsContact O-N 3.14Å |
| 63 | E | 76.8 | Confident | 78.4 | Confident | 127 Ų | 127 | 60.9 Ų | 60.9 | 59% | 0.593 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.3 | -178.9 | -73.7 | -178.2 | -178.6 | 0 | 0 | 113 | D59 K65 | D59-E63 WeakPolarHBondContact O-CB 3.38Å; D59-E63 WeakPolarHBondContact O-CG 3.2Å; D59-E63 PolarHBondContact O-N 3.45Å; E63-K65 WeakPolarHBondContact O-CG 3.41Å; E63-K65 PolarHBondContact O-N 3.1Å |
| 64 | Q | 63.1 | Low | 78.2 | Confident | 174 Ų | 174 | 60.9 Ų | 60.9 | 81% | 0.813 | 32% | 0.317 | S | S | * | . | trans | 46.9 | 15.6 | 176.2 | -72 | -169.6 | -6.5 | 0 | 0 | 115.6 | I61 I62 | I61-Q64 WeakPolarHBondContact O-CG 3.4Å; I61-Q64 PolarHBondContact O-N 3.24Å; I62-Q64 PolarHBondContact O-N 2.72Å; I62-Q64 VanDerWaalsContact O-N 3.14Å | ||
| 65 | K | 51.7 | Low | 78.1 | Confident | 190 Ų | 190 | 55 Ų | 55 | 83% | 0.826 | 29% | 0.294 | S | S | * | . | trans | -97.7 | -3.2 | -171.1 | -89.3 | 175.2 | 179.5 | 177.2 | 0 | 113.9 | E63 | E63-K65 WeakPolarHBondContact O-CG 3.41Å; E63-K65 PolarHBondContact O-N 3.1Å | ||
| 66 | T | 55 | Low | 78 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 23% | 0.233 | 30% | 0.3 | C | S | . | . | trans | -109.9 | 132 | -156.8 | -6.3 | 0 | 0 | 0 | 0 | 110.9 | Q60 D70 | Q60-T66 PolarHBondContact O-OG1 2.97Å; Q60-T66 VanDerWaalsContact O-OG1 3.11Å; T66-D70 HydrophobicContact CG2-CB 3.37Å; T66-D70 WeakPolarHBondContact CG2-OD2 3.47Å | ||
| 67 | S | 66.9 | Low | 77.9 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 40% | 0.399 | 30% | 0.301 | S | S | . | . | trans | -59.4 | 156 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | D69 D70 | S67-D69 PolarHBondContact O-N 3.45Å; S67-D69 PolarHBondContact OG-N 3.49Å; S67-D69 PolarHBondContact OG-OD2 3.41Å; S67-D69 VanDerWaalsContact OG-OD2 3.13Å; S67-D70 PolarHBondContact N-OD2 2.88Å; S67-D70 VanDerWaalsContact N-OD2 3.15Å; S67-D70 PolarHBondContact O-N 3.16Å | ||
| 68 | C | 68.4 | Low | 77.9 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 14% | 0.142 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -48.2 | -33.1 | 167.8 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | D70 Y71 L72 | C68-D70 VanDerWaalsContact C-N 3.26Å; C68-D70 PolarHBondContact O-N 3.11Å; C68-Y71 PolarHBondContact O-N 3.14Å; C68-L72 VanDerWaalsContact O-CG 3.31Å; C68-L72 WeakPolarHBondContact O-CG 3.35Å; C68-L72 PolarHBondContact O-N 2.91Å; C68-L72 VanDerWaalsContact O-N 3.15Å |
| 69 | D | 75.8 | Confident | 77.9 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.2 | -28 | -178.2 | -59.4 | -38 | 0 | 0 | 0 | 113.7 | S67 S73 | S67-D69 PolarHBondContact O-N 3.45Å; S67-D69 PolarHBondContact OG-N 3.49Å; S67-D69 PolarHBondContact OG-OD2 3.41Å; S67-D69 VanDerWaalsContact OG-OD2 3.13Å; D69-S73 WeakPolarHBondContact O-CB 3.06Å; D69-S73 PolarHBondContact O-N 3.18Å; D69-S73 PolarHBondContact O-OG 2.76Å |
| 70 | D | 77.6 | Confident | 77.8 | Confident | 66 Ų | 66 | 58.5 Ų | 58.5 | 35% | 0.353 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.6 | -39.3 | -177.8 | -63.3 | -53.8 | 0 | 0 | 0 | 111.1 | T66 S67 C68 L72 S73 L74 | T66-D70 HydrophobicContact CG2-CB 3.37Å; T66-D70 WeakPolarHBondContact CG2-OD2 3.47Å; S67-D70 PolarHBondContact N-OD2 2.88Å; S67-D70 VanDerWaalsContact N-OD2 3.15Å; S67-D70 PolarHBondContact O-N 3.16Å; C68-D70 VanDerWaalsContact C-N 3.26Å; C68-D70 PolarHBondContact O-N 3.11Å; D70-L72 VanDerWaalsContact C-N 3.34Å; D70-S73 PolarHBondContact O-N 3.32Å; D70-L74 PolarHBondContact O-N 2.92Å; D70-L74 VanDerWaalsContact O-N 3.09Å |
| 71 | Y | 81.3 | Confident | 77.9 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 170 | -56.1 | -57.7 | 0 | 0 | 0 | 111 | L57 Q60 I61 C68 S73 L74 I75 L103 | L57-Y71 HydrophobicContact CD1-CD1 3.81Å; L57-Y71 HydrophobicContact CD1-CE1 4.47Å; Q60-Y71 HydrophobicContact CB-CD1 4.4Å; Q60-Y71 HydrophobicContact CB-CE1 3.87Å; Q60-Y71 PolarHBondContact O-OH 3Å; I61-Y71 HydrophobicContact CG1-CD1 4.48Å; I61-Y71 HydrophobicContact CG1-CE1 3.77Å; C68-Y71 PolarHBondContact O-N 3.14Å; Y71-S73 VanDerWaalsContact C-N 3.32Å; Y71-S73 PolarHBondContact O-N 3.34Å; Y71-L74 PolarHBondContact O-N 2.92Å; Y71-I75 WeakPolarHBondContact O-CG1 3.46Å; Y71-I75 PolarHBondContact O-N 3.02Å; Y71-L103 HydrophobicContact CD2-CD1 4.44Å; Y71-L103 HydrophobicContact CE2-CD1 4.48Å; Y71-L103 HydrophobicContact CE2-CD2 4.43Å |
| 72 | L | 82.8 | Confident | 78 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 177.5 | -66.2 | -178.9 | 0 | 0 | 0 | 112.1 | C68 D70 L74 I75 Y76 I111 F114 | C68-L72 VanDerWaalsContact O-CG 3.31Å; C68-L72 WeakPolarHBondContact O-CG 3.35Å; C68-L72 PolarHBondContact O-N 2.91Å; C68-L72 VanDerWaalsContact O-N 3.15Å; D70-L72 VanDerWaalsContact C-N 3.34Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L72-I75 PolarHBondContact O-N 3.17Å; L72-Y76 WeakPolarHBondContact O-CD2 3.46Å; L72-Y76 PolarHBondContact O-N 3.48Å; L72-I111 HydrophobicContact CD2-CG1 4.46Å; L72-I111 HydrophobicContact CD2-CG2 4.25Å; L72-F114 HydrophobicContact CB-CD2 4.44Å; L72-F114 HydrophobicContact CB-CE2 4.45Å; L72-F114 HydrophobicContact CD1-CB 4.08Å; L72-F114 HydrophobicContact CD1-CD2 4.17Å; L72-F114 HydrophobicContact CD1-CG 4.3Å; L72-F114 HydrophobicContact CD2-CB 3.81Å; L72-F114 HydrophobicContact CD2-CD1 3.65Å; L72-F114 HydrophobicContact CD2-CD2 3.73Å; L72-F114 HydrophobicContact CD2-CE1 4.11Å; L72-F114 HydrophobicContact CD2-CE2 4.1Å; L72-F114 HydrophobicContact CD2-CG 3.47Å; L72-F114 VanDerWaalsContact CD2-CG 3.47Å; L72-F114 HydrophobicContact CD2-CZ 4.31Å; L72-F114 HydrophobicContact CG-CD2 4.32Å; L72-F114 HydrophobicContact CG-CG 4.42Å |
| 73 | S | 84.3 | Confident | 78 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 176.1 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | D69 D70 Y71 Y76 L77 | D69-S73 WeakPolarHBondContact O-CB 3.06Å; D69-S73 PolarHBondContact O-N 3.18Å; D69-S73 PolarHBondContact O-OG 2.76Å; D70-S73 PolarHBondContact O-N 3.32Å; Y71-S73 VanDerWaalsContact C-N 3.32Å; Y71-S73 PolarHBondContact O-N 3.34Å; S73-Y76 PolarHBondContact O-N 3.44Å; S73-L77 WeakPolarHBondContact O-CB 3.5Å; S73-L77 PolarHBondContact O-N 3.13Å |
| 74 | L | 85.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 173.3 | -176 | 55.6 | 0 | 0 | 0 | 112 | L23 L53 V56 L57 D70 Y71 L72 L77 S78 | L23-L74 HydrophobicContact CD1-CD1 4.1Å; L23-L74 HydrophobicContact CD2-CB 3.83Å; L23-L74 HydrophobicContact CD2-CD1 4Å; L23-L74 HydrophobicContact CD2-CG 4.48Å; L23-L74 HydrophobicContact CG-CD1 4.22Å; L53-L74 HydrophobicContact CD2-CD1 3.9Å; V56-L74 HydrophobicContact CG1-CD2 4.39Å; L57-L74 HydrophobicContact CB-CD2 3.65Å; L57-L74 HydrophobicContact CD1-CD2 3.94Å; L57-L74 HydrophobicContact CG-CD2 4.38Å; D70-L74 PolarHBondContact O-N 2.92Å; D70-L74 VanDerWaalsContact O-N 3.09Å; Y71-L74 PolarHBondContact O-N 2.92Å; L72-L74 VanDerWaalsContact C-N 3.34Å; L74-L77 HydrophobicContact CD1-CD2 4.41Å; L74-L77 WeakPolarHBondContact O-CB 3.34Å; L74-L77 PolarHBondContact O-N 3.26Å; L74-S78 PolarHBondContact O-N 3.16Å |
| 75 | I | 86.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 176.6 | -64.2 | 170.3 | 0 | 0 | 0 | 110.5 | Y71 L72 L77 S78 I79 L96 F114 | Y71-I75 WeakPolarHBondContact O-CG1 3.46Å; Y71-I75 PolarHBondContact O-N 3.02Å; L72-I75 PolarHBondContact O-N 3.17Å; I75-L77 VanDerWaalsContact C-N 3.35Å; I75-L77 PolarHBondContact O-N 2.86Å; I75-S78 PolarHBondContact O-N 3.3Å; I75-S78 VanDerWaalsContact O-N 3.13Å; I75-S78 PolarHBondContact O-OG 2.89Å; I75-I79 HydrophobicContact CG2-CD1 4.18Å; I75-I79 WeakPolarHBondContact O-CG1 3.44Å; I75-I79 PolarHBondContact O-N 3.15Å; I75-L96 HydrophobicContact CD1-CB 4.2Å; I75-L96 HydrophobicContact CD1-CD1 3.71Å; I75-F114 HydrophobicContact CB-CZ 4.37Å; I75-F114 HydrophobicContact CG2-CE1 3.93Å; I75-F114 HydrophobicContact CG2-CZ 3.83Å |
| 76 | Y | 87 | Confident | 80.6 | Confident | 103 Ų | 103 | 38.9 Ų | 38.9 | 40% | 0.404 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 172.8 | -86.3 | -57.8 | 0 | 0 | 0 | 112 | L72 S73 S78 I79 D80 F114 | L72-Y76 WeakPolarHBondContact O-CD2 3.46Å; L72-Y76 PolarHBondContact O-N 3.48Å; S73-Y76 PolarHBondContact O-N 3.44Å; Y76-S78 PolarHBondContact O-N 3.46Å; Y76-I79 WeakPolarHBondContact O-CB 3.32Å; Y76-I79 PolarHBondContact O-N 3.01Å; Y76-I79 VanDerWaalsContact O-N 3.11Å; Y76-D80 PolarHBondContact O-N 3.34Å; Y76-F114 HydrophobicContact CD1-CE2 4.26Å; Y76-F114 AromaticContact CD2-CE2 3.82Å; Y76-F114 HydrophobicContact CD2-CE2 3.82Å; Y76-F114 AromaticContact CE1-CE2 3.79Å; Y76-F114 HydrophobicContact CE1-CE2 3.79Å; Y76-F114 HydrophobicContact CE1-CZ 4.38Å; Y76-F114 AromaticContact CE2-CD2 3.95Å; Y76-F114 HydrophobicContact CE2-CD2 3.95Å; Y76-F114 AromaticContact CE2-CE2 3.35Å; Y76-F114 HydrophobicContact CE2-CE2 3.35Å; Y76-F114 HydrophobicContact CE2-CZ 4.43Å; Y76-F114 HydrophobicContact CG-CE2 4.25Å; Y76-F114 AromaticContact CZ-CD2 3.92Å; Y76-F114 AromaticContact CZ-CE2 3.3Å |
| 77 | L | 85.9 | Confident | 81.9 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.9 | -39.7 | 175.8 | -169.5 | 78.7 | 0 | 0 | 0 | 111.5 | A22 L23 C28 S73 L74 I75 D80 A81 | A22-L77 HydrophobicContact CB-CD1 4.01Å; A22-L77 HydrophobicContact CB-CD2 3.87Å; L23-L77 HydrophobicContact CG-CD2 4.35Å; C28-L77 HydrophobicContact CB-CD1 4.44Å; C28-L77 WeakPolarHBondContact SG-CD1 3.33Å; C28-L77 PolarHBondContact SG-O 2.7Å; C28-L77 VanDerWaalsContact SG-O 3.32Å; S73-L77 WeakPolarHBondContact O-CB 3.5Å; S73-L77 PolarHBondContact O-N 3.13Å; L74-L77 HydrophobicContact CD1-CD2 4.41Å; L74-L77 WeakPolarHBondContact O-CB 3.34Å; L74-L77 PolarHBondContact O-N 3.26Å; I75-L77 VanDerWaalsContact C-N 3.35Å; I75-L77 PolarHBondContact O-N 2.86Å; L77-D80 PolarHBondContact O-N 2.83Å; L77-A81 VanDerWaalsContact O-CB 3.29Å; L77-A81 WeakPolarHBondContact O-CB 3.23Å; L77-A81 PolarHBondContact O-N 3.24Å |
| 78 | S | 86.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.1 | -36.3 | 177.2 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | L74 I75 Y76 A81 V82 P92 | L74-S78 PolarHBondContact O-N 3.16Å; I75-S78 PolarHBondContact O-N 3.3Å; I75-S78 VanDerWaalsContact O-N 3.13Å; I75-S78 PolarHBondContact O-OG 2.89Å; Y76-S78 PolarHBondContact O-N 3.46Å; S78-A81 PolarHBondContact O-N 3.02Å; S78-V82 WeakPolarHBondContact O-CG2 3.38Å; S78-V82 PolarHBondContact O-N 2.88Å; S78-V82 VanDerWaalsContact O-N 3.07Å; S78-P92 WeakPolarHBondContact OG-CB 3.32Å |
| 79 | I | 86.2 | Confident | 83.6 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -48.5 | 174.8 | -66.9 | 166.7 | 0 | 0 | 0 | 109.5 | I75 Y76 A81 V82 T83 P92 F114 T121 W122 F127 | I75-I79 HydrophobicContact CG2-CD1 4.18Å; I75-I79 WeakPolarHBondContact O-CG1 3.44Å; I75-I79 PolarHBondContact O-N 3.15Å; Y76-I79 WeakPolarHBondContact O-CB 3.32Å; Y76-I79 PolarHBondContact O-N 3.01Å; Y76-I79 VanDerWaalsContact O-N 3.11Å; I79-A81 VanDerWaalsContact C-N 3.32Å; I79-A81 PolarHBondContact O-N 3.44Å; I79-V82 PolarHBondContact O-N 3.1Å; I79-V82 VanDerWaalsContact O-N 3.13Å; I79-T83 PolarHBondContact O-N 3.3Å; I79-P92 HydrophobicContact CG1-CB 4.01Å; I79-P92 HydrophobicContact CG1-CG 4.23Å; I79-F114 HydrophobicContact CD1-CZ 4.49Å; I79-T121 HydrophobicContact CG2-CG2 3.88Å; I79-W122 HydrophobicContact CD1-CH2 3.72Å; I79-W122 HydrophobicContact CD1-CZ2 4.28Å; I79-W122 HydrophobicContact CD1-CZ3 4.29Å; I79-W122 HydrophobicContact CG1-CH2 4.19Å; I79-W122 HydrophobicContact CG1-CZ3 4.4Å; I79-F127 HydrophobicContact CG2-CE2 4.42Å; I79-F127 HydrophobicContact CG2-CZ 4.07Å |
| 80 | D | 85.1 | Confident | 84.2 | Confident | 75 Ų | 75 | 33.6 Ų | 33.6 | 40% | 0.401 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 178.5 | -72.1 | -8.2 | 0 | 0 | 0 | 111 | C28 Y76 L77 V82 T83 E84 | C28-D80 HydrophobicContact CB-CB 4.45Å; C28-D80 WeakPolarHBondContact SG-CB 3.49Å; Y76-D80 PolarHBondContact O-N 3.34Å; L77-D80 PolarHBondContact O-N 2.83Å; D80-V82 VanDerWaalsContact C-N 3.29Å; D80-V82 PolarHBondContact O-N 3.47Å; D80-T83 VanDerWaalsContact CA-OG1 3.31Å; D80-T83 WeakPolarHBondContact CA-OG1 3.39Å; D80-T83 PolarHBondContact O-N 3.41Å; D80-T83 VanDerWaalsContact O-N 3.15Å; D80-T83 PolarHBondContact O-OG1 3.37Å; D80-E84 WeakPolarHBondContact O-CG 3.48Å; D80-E84 PolarHBondContact O-N 3.44Å |
| 81 | A | 84.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -31.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L31 L77 S78 I79 G85 I86 C87 | L31-A81 HydrophobicContact CD2-CB 4.23Å; L77-A81 VanDerWaalsContact O-CB 3.29Å; L77-A81 WeakPolarHBondContact O-CB 3.23Å; L77-A81 PolarHBondContact O-N 3.24Å; S78-A81 PolarHBondContact O-N 3.02Å; I79-A81 VanDerWaalsContact C-N 3.32Å; I79-A81 PolarHBondContact O-N 3.44Å; A81-G85 PolarHBondContact O-N 3.46Å; A81-I86 WeakPolarHBondContact O-CB 3.39Å; A81-I86 PolarHBondContact O-N 3.27Å; A81-C87 HydrophobicContact CB-CB 4.24Å; A81-C87 VanDerWaalsContact CB-SG 3.57Å; A81-C87 PolarHBondContact O-N 3Å |
| 82 | V | 84.2 | Confident | 85.3 | Confident | 16 Ų | 16 | 30.3 Ų | 30.3 | 10% | 0.097 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.6 | -40.7 | 171.6 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | S78 I79 D80 E84 G85 C87 S88 A89 I91 P92 F127 | S78-V82 WeakPolarHBondContact O-CG2 3.38Å; S78-V82 PolarHBondContact O-N 2.88Å; S78-V82 VanDerWaalsContact O-N 3.07Å; I79-V82 PolarHBondContact O-N 3.1Å; I79-V82 VanDerWaalsContact O-N 3.13Å; D80-V82 VanDerWaalsContact C-N 3.29Å; D80-V82 PolarHBondContact O-N 3.47Å; V82-E84 PolarHBondContact O-N 3.39Å; V82-G85 WeakPolarHBondContact O-CA 3.41Å; V82-G85 PolarHBondContact O-N 3.06Å; V82-C87 HydrophobicContact CG2-CB 3.77Å; V82-S88 WeakPolarHBondContact CG2-O 3.34Å; V82-A89 HydrophobicContact CG1-CB 4.19Å; V82-I91 HydrophobicContact CG2-CG2 4.17Å; V82-P92 HydrophobicContact CG2-CG 4.05Å; V82-F127 HydrophobicContact CB-CE1 3.72Å; V82-F127 HydrophobicContact CB-CZ 3.71Å; V82-F127 HydrophobicContact CG1-CD1 4.29Å; V82-F127 HydrophobicContact CG1-CE1 3.35Å; V82-F127 HydrophobicContact CG1-CE2 4.46Å; V82-F127 HydrophobicContact CG1-CZ 3.46Å; V82-F127 VanDerWaalsContact CG1-CZ 3.46Å; V82-F127 HydrophobicContact CG2-CE1 4.2Å |
| 83 | T | 83.6 | Confident | 85.7 | Confident | 89 Ų | 89 | 29.5 Ų | 29.5 | 55% | 0.546 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63 | -31.8 | 177.7 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | I79 D80 G85 F127 | I79-T83 PolarHBondContact O-N 3.3Å; D80-T83 VanDerWaalsContact CA-OG1 3.31Å; D80-T83 WeakPolarHBondContact CA-OG1 3.39Å; D80-T83 PolarHBondContact O-N 3.41Å; D80-T83 VanDerWaalsContact O-N 3.15Å; D80-T83 PolarHBondContact O-OG1 3.37Å; T83-G85 VanDerWaalsContact C-N 3.26Å; T83-G85 PolarHBondContact O-N 3.48Å; T83-F127 HydrophobicContact CG2-CE2 4.12Å; T83-F127 HydrophobicContact CG2-CZ 4.28Å |
| 84 | E | 83.3 | Confident | 86 | Confident | 122 Ų | 122 | 29.7 Ų | 29.7 | 57% | 0.57 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -2.1 | 173.9 | -64 | -69.7 | 156.3 | 0 | 0 | 113 | I32 D80 V82 I86 | I32-E84 HydrophobicContact CD1-CB 4.11Å; I32-E84 HydrophobicContact CD1-CG 3.82Å; D80-E84 WeakPolarHBondContact O-CG 3.48Å; D80-E84 PolarHBondContact O-N 3.44Å; V82-E84 PolarHBondContact O-N 3.39Å; E84-I86 HydrophobicContact CB-CD1 3.73Å; E84-I86 HydrophobicContact CB-CG1 3.95Å |
| 85 | G | 81.8 | Confident | 86.3 | Confident | 38 Ų | 38 | 29.7 Ų | 29.7 | 39% | 0.392 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 13.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K46 A81 V82 T83 | K46-G85 WeakPolarHBondContact CE-O 3.43Å; K46-G85 PolarHBondContact NZ-O 2.86Å; A81-G85 PolarHBondContact O-N 3.46Å; V82-G85 WeakPolarHBondContact O-CA 3.41Å; V82-G85 PolarHBondContact O-N 3.06Å; T83-G85 VanDerWaalsContact C-N 3.26Å; T83-G85 PolarHBondContact O-N 3.48Å |
| 86 | I | 81.3 | Confident | 86.5 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -94.3 | -26.9 | -169.9 | -50.8 | 171.6 | 0 | 0 | 0 | 112 | I32 F35 K46 L49 A81 E84 | I32-I86 HydrophobicContact CB-CD1 3.75Å; I32-I86 HydrophobicContact CD1-CD1 3.79Å; I32-I86 HydrophobicContact CG1-CD1 3.34Å; I32-I86 HydrophobicContact CG2-CD1 3.78Å; F35-I86 HydrophobicContact CB-CG2 3.75Å; F35-I86 HydrophobicContact CD1-CG2 3.81Å; F35-I86 HydrophobicContact CD2-CG2 3.34Å; F35-I86 HydrophobicContact CE1-CG2 4.19Å; F35-I86 HydrophobicContact CE2-CG2 3.74Å; F35-I86 WeakPolarHBondContact CE2-O 3.47Å; F35-I86 HydrophobicContact CG-CG2 3.37Å; F35-I86 HydrophobicContact CZ-CG2 4.15Å; K46-I86 WeakPolarHBondContact CG-O 3.21Å; L49-I86 HydrophobicContact CD2-CG2 3.59Å; A81-I86 WeakPolarHBondContact O-CB 3.39Å; A81-I86 PolarHBondContact O-N 3.27Å; E84-I86 HydrophobicContact CB-CD1 3.73Å; E84-I86 HydrophobicContact CB-CG1 3.95Å |
| 87 | C | 82.4 | Confident | 86.7 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -113.6 | 165.2 | 177.4 | -70.2 | 0 | 0 | 0 | 0 | 112.3 | L49 A81 V82 I91 | L49-C87 WeakPolarHBondContact CD2-SG 3.2Å; A81-C87 HydrophobicContact CB-CB 4.24Å; A81-C87 VanDerWaalsContact CB-SG 3.57Å; A81-C87 PolarHBondContact O-N 3Å; V82-C87 HydrophobicContact CG2-CB 3.77Å; C87-I91 HydrophobicContact CB-CG2 3.83Å |
| 88 | S | 85.6 | Confident | 86.8 | Confident | 38 Ų | 38 | 26.7 Ų | 26.7 | 27% | 0.266 | 16% | 0.164 | S | C | . | . | trans | -69.1 | 140.9 | 169.5 | -180 | 0 | 0 | 0 | 0 | 111.1 | D50 V82 T90 I91 | D50-S88 PolarHBondContact OD1-N 3.31Å; D50-S88 WeakPolarHBondContact OD2-CB 3.29Å; V82-S88 WeakPolarHBondContact CG2-O 3.34Å; S88-T90 PolarHBondContact O-N 3.26Å; S88-T90 PolarHBondContact OG-N 3.48Å; S88-T90 PolarHBondContact OG-OG1 3.13Å; S88-I91 WeakPolarHBondContact O-CG2 3.22Å; S88-I91 PolarHBondContact O-N 3.32Å; S88-I91 VanDerWaalsContact O-N 3.1Å | ||
| 89 | A | 85.3 | Confident | 87 | Confident | 27 Ų | 27 | 26.7 Ų | 26.7 | 22% | 0.223 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V82 F93 A130 | V82-A89 HydrophobicContact CG1-CB 4.19Å; A89-F93 WeakPolarHBondContact O-CD2 3.46Å; A89-F93 WeakPolarHBondContact O-CE2 3.36Å; A89-A130 HydrophobicContact CB-CB 3.86Å |
| 90 | T | 89 | Confident | 87.2 | Confident | 39 Ų | 39 | 26.2 Ų | 26.2 | 24% | 0.239 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -23.3 | 178.1 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | S88 P92 F93 V94 A130 Y134 | S88-T90 PolarHBondContact O-N 3.26Å; S88-T90 PolarHBondContact OG-N 3.48Å; S88-T90 PolarHBondContact OG-OG1 3.13Å; T90-P92 VanDerWaalsContact C-CD 3.48Å; T90-F93 PolarHBondContact O-N 3.31Å; T90-V94 PolarHBondContact O-N 3.15Å; T90-A130 HydrophobicContact CG2-CB 4.22Å; T90-Y134 HydrophobicContact CG2-CE2 3.87Å |
| 91 | I | 89.9 | Confident | 87.4 | Confident | 8 Ų | 8 | 26.7 Ų | 26.7 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | -169 | -163.9 | 56.2 | 0 | 0 | 0 | 114.1 | D50 L53 V82 C87 S88 F93 V94 L95 | D50-I91 HydrophobicContact CB-CD1 3.87Å; D50-I91 HydrophobicContact CB-CG1 4.16Å; L53-I91 HydrophobicContact CD1-CG1 4.45Å; V82-I91 HydrophobicContact CG2-CG2 4.17Å; C87-I91 HydrophobicContact CB-CG2 3.83Å; S88-I91 WeakPolarHBondContact O-CG2 3.22Å; S88-I91 PolarHBondContact O-N 3.32Å; S88-I91 VanDerWaalsContact O-N 3.1Å; I91-F93 PolarHBondContact O-N 2.94Å; I91-V94 PolarHBondContact O-N 2.95Å; I91-L95 HydrophobicContact CD1-CD2 4.34Å; I91-L95 HydrophobicContact CD1-CG 4.1Å; I91-L95 HydrophobicContact CG1-CD1 4Å; I91-L95 HydrophobicContact CG1-CG 4.07Å; I91-L95 WeakPolarHBondContact O-CG 3.27Å; I91-L95 PolarHBondContact O-N 2.91Å |
| 92 | P | 90.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -33.1 | -177.7 | -20.6 | 35.2 | 0 | 0 | 0 | 111.9 | S78 I79 V82 T90 L96 W122 F127 | S78-P92 WeakPolarHBondContact OG-CB 3.32Å; I79-P92 HydrophobicContact CG1-CB 4.01Å; I79-P92 HydrophobicContact CG1-CG 4.23Å; V82-P92 HydrophobicContact CG2-CG 4.05Å; T90-P92 VanDerWaalsContact C-CD 3.48Å; P92-L96 WeakPolarHBondContact O-CB 3.41Å; P92-L96 PolarHBondContact O-N 3.21Å; P92-W122 HydrophobicContact CB-CH2 4.38Å; P92-W122 HydrophobicContact CB-CZ3 4.28Å; P92-F127 HydrophobicContact CG-CE1 4.21Å |
| 93 | F | 91.7 | Very high | 87.6 | Confident | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.4 | -38 | 178.3 | -57.1 | -71.5 | 0 | 0 | 0 | 112.6 | A89 T90 I91 G97 W122 F127 G131 Y134 L135 | A89-F93 WeakPolarHBondContact O-CD2 3.46Å; A89-F93 WeakPolarHBondContact O-CE2 3.36Å; T90-F93 PolarHBondContact O-N 3.31Å; I91-F93 PolarHBondContact O-N 2.94Å; F93-G97 PolarHBondContact O-N 3.39Å; F93-W122 HydrophobicContact CD1-CE3 4.28Å; F93-W122 HydrophobicContact CD1-CZ3 4.15Å; F93-W122 HydrophobicContact CE1-CD2 4Å; F93-W122 AromaticContact CE1-CE3 3.26Å; F93-W122 HydrophobicContact CE1-CE3 3.26Å; F93-W122 HydrophobicContact CE1-CH2 4.43Å; F93-W122 AromaticContact CE1-CZ3 3.51Å; F93-W122 HydrophobicContact CE1-CZ3 3.51Å; F93-W122 HydrophobicContact CZ-CD2 4.48Å; F93-W122 AromaticContact CZ-CE3 3.46Å; F93-W122 HydrophobicContact CZ-CE3 3.46Å; F93-W122 VanDerWaalsContact CZ-CE3 3.46Å; F93-W122 AromaticContact CZ-CZ3 3.75Å; F93-W122 HydrophobicContact CZ-CZ3 3.75Å; F93-F127 HydrophobicContact CE2-CB 4.37Å; F93-F127 HydrophobicContact CE2-CD1 4.07Å; F93-F127 HydrophobicContact CZ-CB 4.05Å; F93-F127 HydrophobicContact CZ-CD1 4.3Å; F93-G131 VanDerWaalsContact CD2-CA 3.44Å; F93-G131 VanDerWaalsContact CZ-CA 3.47Å; F93-Y134 HydrophobicContact CB-CD2 4.3Å; F93-Y134 HydrophobicContact CB-CG 4.03Å; F93-L135 HydrophobicContact CD1-CD1 4.35Å; F93-L135 HydrophobicContact CD1-CD2 3.82Å; F93-L135 HydrophobicContact CD1-CG 3.79Å; F93-L135 HydrophobicContact CE1-CD1 3.81Å; F93-L135 HydrophobicContact CE1-CD2 4Å; F93-L135 HydrophobicContact CE1-CG 3.77Å |
| 94 | V | 91.5 | Very high | 87.8 | Confident | 33 Ų | 33 | 30 Ų | 30 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.1 | -46.1 | 176 | 175.9 | 0 | 0 | 0 | 0 | 110.1 | T90 I91 L96 G97 D98 Y134 | T90-V94 PolarHBondContact O-N 3.15Å; I91-V94 PolarHBondContact O-N 2.95Å; V94-L96 PolarHBondContact O-N 3.25Å; V94-G97 PolarHBondContact O-N 3.42Å; V94-D98 VanDerWaalsContact O-CG 3.25Å; V94-D98 PolarHBondContact O-N 3.48Å; V94-Y134 HydrophobicContact CG2-CD1 4.38Å; V94-Y134 HydrophobicContact CG2-CE1 4Å |
| 95 | L | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.3 | -65.6 | 176.3 | 0 | 0 | 0 | 111.5 | L53 R54 L57 I91 G97 D98 V99 | L53-L95 HydrophobicContact CB-CD1 4.36Å; R54-L95 HydrophobicContact CB-CD2 4.08Å; R54-L95 HydrophobicContact CG-CD2 4.23Å; L57-L95 HydrophobicContact CB-CD2 4.16Å; L57-L95 HydrophobicContact CD2-CB 4.12Å; L57-L95 HydrophobicContact CD2-CD2 3.65Å; L57-L95 HydrophobicContact CD2-CG 4.48Å; I91-L95 HydrophobicContact CD1-CD2 4.34Å; I91-L95 HydrophobicContact CD1-CG 4.1Å; I91-L95 HydrophobicContact CG1-CD1 4Å; I91-L95 HydrophobicContact CG1-CG 4.07Å; I91-L95 WeakPolarHBondContact O-CG 3.27Å; I91-L95 PolarHBondContact O-N 2.91Å; L95-G97 VanDerWaalsContact C-N 3.34Å; L95-G97 PolarHBondContact O-N 3.48Å; L95-D98 PolarHBondContact O-N 2.99Å; L95-V99 WeakPolarHBondContact O-CB 3.33Å; L95-V99 VanDerWaalsContact O-CG2 3.23Å; L95-V99 WeakPolarHBondContact O-CG2 3.43Å; L95-V99 PolarHBondContact O-N 3.23Å |
| 96 | L | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 176.8 | -176.4 | 71.1 | 0 | 0 | 0 | 112.1 | I75 P92 V94 L100 I111 V115 M138 | I75-L96 HydrophobicContact CD1-CB 4.2Å; I75-L96 HydrophobicContact CD1-CD1 3.71Å; P92-L96 WeakPolarHBondContact O-CB 3.41Å; P92-L96 PolarHBondContact O-N 3.21Å; V94-L96 PolarHBondContact O-N 3.25Å; L96-L100 HydrophobicContact CD1-CD1 4.39Å; L96-L100 HydrophobicContact CG-CD1 4.13Å; L96-L100 WeakPolarHBondContact O-CG 3.4Å; L96-L100 PolarHBondContact O-N 3.49Å; L96-I111 HydrophobicContact CD1-CG2 3.81Å; L96-V115 HydrophobicContact CD1-CG2 3.82Å; L96-V115 HydrophobicContact CD2-CG1 4.4Å; L96-V115 HydrophobicContact CD2-CG2 3.6Å; L96-V115 HydrophobicContact CG-CG2 4.26Å; L96-M138 HydrophobicContact CB-SD 4.32Å; L96-M138 HydrophobicContact CD2-CE 3.66Å; L96-M138 HydrophobicContact CD2-SD 3.58Å; L96-M138 VanDerWaalsContact CD2-SD 3.58Å; L96-M138 HydrophobicContact CG-CE 4.33Å; L96-M138 HydrophobicContact CG-SD 3.65Å |
| 97 | G | 90.6 | Very high | 88 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 12% | 0.124 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.6 | -51.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F93 V94 L95 V99 L100 D101 | F93-G97 PolarHBondContact O-N 3.39Å; V94-G97 PolarHBondContact O-N 3.42Å; L95-G97 VanDerWaalsContact C-N 3.34Å; L95-G97 PolarHBondContact O-N 3.48Å; G97-V99 VanDerWaalsContact C-N 3.31Å; G97-V99 PolarHBondContact O-N 3.26Å; G97-L100 PolarHBondContact O-N 2.82Å; G97-L100 VanDerWaalsContact O-N 3.16Å; G97-D101 WeakPolarHBondContact O-CB 3.49Å; G97-D101 PolarHBondContact O-N 2.77Å |
| 98 | D | 89.9 | Confident | 88.2 | Confident | 35 Ų | 35 | 33.1 Ų | 33.1 | 19% | 0.187 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.8 | -43.3 | 177.8 | -67.9 | -26.6 | 0 | 0 | 0 | 111.5 | R54 L57 V94 L95 D101 C102 | R54-D98 IonicContact CZ-OD1 2.89Å; R54-D98 IonicContact CZ-OD2 3.34Å; R54-D98 VanDerWaalsContact CZ-OD2 3.28Å; R54-D98 IonicContact NE-OD1 2.71Å; R54-D98 IonicContact NE-OD2 2.59Å; R54-D98 PolarHBondContact NE-OD2 3.26Å; R54-D98 VanDerWaalsContact NH2-CG 3.34Å; R54-D98 IonicContact NH2-OD1 3.81Å; R54-D98 PolarHBondContact NH2-OD1 3.37Å; R54-D98 IonicContact NH2-OD2 3.65Å; R54-D98 PolarHBondContact NH2-OD2 3.47Å; R54-D98 VanDerWaalsContact NH2-OD2 3.08Å; L57-D98 HydrophobicContact CD2-CB 4.12Å; V94-D98 VanDerWaalsContact O-CG 3.25Å; V94-D98 PolarHBondContact O-N 3.48Å; L95-D98 PolarHBondContact O-N 2.99Å; D98-D101 PolarHBondContact O-N 3.34Å; D98-C102 WeakPolarHBondContact O-CB 3.4Å; D98-C102 PolarHBondContact O-N 2.74Å; D98-C102 PolarHBondContact O-SG 2.84Å |
| 99 | V | 89.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.5 | -50 | 175.7 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | L57 L95 G97 D101 C102 L103 I111 | L57-V99 HydrophobicContact CD1-CG2 3.5Å; L57-V99 HydrophobicContact CD2-CG2 3.76Å; L57-V99 HydrophobicContact CG-CG2 4.17Å; L95-V99 WeakPolarHBondContact O-CB 3.33Å; L95-V99 VanDerWaalsContact O-CG2 3.23Å; L95-V99 WeakPolarHBondContact O-CG2 3.43Å; L95-V99 PolarHBondContact O-N 3.23Å; G97-V99 VanDerWaalsContact C-N 3.31Å; G97-V99 PolarHBondContact O-N 3.26Å; V99-D101 VanDerWaalsContact C-N 3.32Å; V99-D101 PolarHBondContact O-N 2.98Å; V99-C102 PolarHBondContact O-N 3.36Å; V99-L103 HydrophobicContact CG1-CD1 3.53Å; V99-L103 HydrophobicContact CG1-CG 4.38Å; V99-L103 WeakPolarHBondContact O-CB 3.4Å; V99-L103 WeakPolarHBondContact O-CG 3.42Å; V99-L103 PolarHBondContact O-N 2.78Å; V99-I111 HydrophobicContact CG1-CD1 3.57Å |
| 100 | L | 89.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.5 | -36.9 | -177.6 | -72.7 | 166.6 | 0 | 0 | 0 | 111.6 | L96 G97 C108 I111 M138 L142 R145 | L96-L100 HydrophobicContact CD1-CD1 4.39Å; L96-L100 HydrophobicContact CG-CD1 4.13Å; L96-L100 WeakPolarHBondContact O-CG 3.4Å; L96-L100 PolarHBondContact O-N 3.49Å; G97-L100 PolarHBondContact O-N 2.82Å; G97-L100 VanDerWaalsContact O-N 3.16Å; L100-C108 HydrophobicContact CD2-CB 3.77Å; L100-C108 PolarHBondContact O-SG 3.38Å; L100-C108 VanDerWaalsContact O-SG 3.35Å; L100-I111 HydrophobicContact CD2-CB 4.17Å; L100-I111 HydrophobicContact CD2-CG2 3.92Å; L100-I111 HydrophobicContact CG-CG2 4.38Å; L100-M138 HydrophobicContact CD1-CE 4.14Å; L100-M138 HydrophobicContact CD1-CG 3.48Å; L100-M138 VanDerWaalsContact CD1-CG 3.48Å; L100-M138 HydrophobicContact CD1-SD 3.35Å; L100-M138 WeakPolarHBondContact CD1-SD 3.33Å; L100-L142 HydrophobicContact CD1-CD1 4.2Å; L100-R145 PolarHBondContact O-NH1 3.06Å; L100-R145 PolarHBondContact O-NH2 3.48Å |
| 101 | D | 89.6 | Confident | 88.3 | Confident | 85 Ų | 85 | 37.2 Ų | 37.2 | 46% | 0.455 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.4 | -35.1 | 178.6 | -74.1 | -20.2 | 0 | 0 | 0 | 113.1 | G97 D98 V99 R145 | G97-D101 WeakPolarHBondContact O-CB 3.49Å; G97-D101 PolarHBondContact O-N 2.77Å; D98-D101 PolarHBondContact O-N 3.34Å; V99-D101 VanDerWaalsContact C-N 3.32Å; V99-D101 PolarHBondContact O-N 2.98Å; D101-R145 IonicContact OD1-NH1 3.46Å |
| 102 | C | 87.8 | Confident | 88.3 | Confident | 79 Ų | 79 | 36.9 Ų | 36.9 | 53% | 0.534 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -82.8 | -17 | 179.3 | -67.3 | 0 | 0 | 0 | 0 | 114.5 | I61 D98 V99 | I61-C102 HydrophobicContact CD1-CB 4.12Å; I61-C102 HydrophobicContact CG2-CB 3.92Å; D98-C102 WeakPolarHBondContact O-CB 3.4Å; D98-C102 PolarHBondContact O-N 2.74Å; D98-C102 PolarHBondContact O-SG 2.84Å; V99-C102 PolarHBondContact O-N 3.36Å |
| 103 | L | 85.6 | Confident | 88.3 | Confident | 15 Ų | 15 | 38.6 Ų | 38.6 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -98.9 | 151.1 | -173.4 | -68.1 | 178 | 0 | 0 | 0 | 114.2 | Y71 V99 L107 I111 R145 | Y71-L103 HydrophobicContact CD2-CD1 4.44Å; Y71-L103 HydrophobicContact CE2-CD1 4.48Å; Y71-L103 HydrophobicContact CE2-CD2 4.43Å; V99-L103 HydrophobicContact CG1-CD1 3.53Å; V99-L103 HydrophobicContact CG1-CG 4.38Å; V99-L103 WeakPolarHBondContact O-CB 3.4Å; V99-L103 WeakPolarHBondContact O-CG 3.42Å; V99-L103 PolarHBondContact O-N 2.78Å; L103-L107 HydrophobicContact CB-CB 4.4Å; L103-L107 HydrophobicContact CD1-CB 4.35Å; L103-L107 HydrophobicContact CD2-CD1 4.17Å; L103-I111 HydrophobicContact CD1-CD1 3.23Å; L103-R145 PolarHBondContact O-NH2 3.35Å |
| 104 | P | 86.7 | Confident | 88.1 | Confident | 82 Ų | 82 | 39 Ų | 39 | 53% | 0.532 | 22% | 0.217 | S | C | . | . | trans | -63.5 | 158.6 | 168.2 | -20.3 | 32.5 | 0 | 0 | 0 | 113.2 | D106 L107 C108 | P104-D106 VanDerWaalsContact C-N 3.33Å; P104-D106 PolarHBondContact O-N 2.94Å; P104-L107 PolarHBondContact O-N 3.11Å; P104-L107 VanDerWaalsContact O-N 3.16Å; P104-C108 PolarHBondContact O-N 3.29Å; P104-C108 VanDerWaalsContact O-N 3.11Å; P104-C108 PolarHBondContact O-SG 3.34Å; P104-C108 VanDerWaalsContact O-SG 3.35Å | ||
| 105 | L | 83.4 | Confident | 88 | Confident | 51 Ų | 51 | 37.4 Ų | 37.4 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.7 | -37.5 | -172.4 | -64.3 | 177.2 | 0 | 0 | 0 | 114 | L107 C108 D109 R145 L146 | L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 2.71Å; L105-C108 WeakPolarHBondContact O-CB 3.45Å; L105-C108 PolarHBondContact O-N 3.45Å; L105-D109 PolarHBondContact O-N 3.42Å; L105-D109 VanDerWaalsContact O-N 3.07Å; L105-R145 HydrophobicContact CD2-CB 4.48Å; L105-L146 HydrophobicContact CD1-CD2 4.05Å; L105-L146 HydrophobicContact CD2-CD2 3.7Å; L105-L146 HydrophobicContact CD2-CG 4.4Å; L105-L146 HydrophobicContact CG-CD2 4.32Å |
| 106 | D | 83.6 | Confident | 87.9 | Confident | 130 Ų | 130 | 39.7 Ų | 39.7 | 70% | 0.695 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.9 | -34 | -178.8 | -55.5 | -38.9 | 0 | 0 | 0 | 112.7 | P104 | P104-D106 VanDerWaalsContact C-N 3.33Å; P104-D106 PolarHBondContact O-N 2.94Å |
| 107 | L | 84.4 | Confident | 87.9 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 29% | 0.293 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -80.3 | -34.4 | 176.7 | -58.5 | -177 | 0 | 0 | 0 | 110.9 | L103 P104 L105 D109 K110 I111 | L103-L107 HydrophobicContact CB-CB 4.4Å; L103-L107 HydrophobicContact CD1-CB 4.35Å; L103-L107 HydrophobicContact CD2-CD1 4.17Å; P104-L107 PolarHBondContact O-N 3.11Å; P104-L107 VanDerWaalsContact O-N 3.16Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 2.71Å; L107-D109 PolarHBondContact O-N 3.16Å; L107-K110 PolarHBondContact O-N 3.07Å; L107-I111 WeakPolarHBondContact O-CG1 3.32Å; L107-I111 PolarHBondContact O-N 2.93Å |
| 108 | C | 87.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -37.4 | 172.7 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | L100 P104 L105 I111 F112 L142 | L100-C108 HydrophobicContact CD2-CB 3.77Å; L100-C108 PolarHBondContact O-SG 3.38Å; L100-C108 VanDerWaalsContact O-SG 3.35Å; P104-C108 PolarHBondContact O-N 3.29Å; P104-C108 VanDerWaalsContact O-N 3.11Å; P104-C108 PolarHBondContact O-SG 3.34Å; P104-C108 VanDerWaalsContact O-SG 3.35Å; L105-C108 WeakPolarHBondContact O-CB 3.45Å; L105-C108 PolarHBondContact O-N 3.45Å; C108-I111 PolarHBondContact O-N 3.17Å; C108-F112 VanDerWaalsContact O-CB 3.27Å; C108-F112 WeakPolarHBondContact O-CB 3.4Å; C108-F112 PolarHBondContact O-N 3.43Å; C108-L142 HydrophobicContact CB-CD2 4.28Å |
| 109 | D | 86.4 | Confident | 87.5 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 31% | 0.305 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.7 | -173 | 23.7 | 0 | 0 | 0 | 112.6 | L105 L107 I111 F112 S113 F154 R157 | L105-D109 PolarHBondContact O-N 3.42Å; L105-D109 VanDerWaalsContact O-N 3.07Å; L107-D109 PolarHBondContact O-N 3.16Å; D109-I111 PolarHBondContact O-N 3.36Å; D109-F112 PolarHBondContact O-N 3.32Å; D109-S113 PolarHBondContact O-N 3.01Å; D109-S113 VanDerWaalsContact O-N 3.09Å; D109-S113 PolarHBondContact O-OG 3.31Å; D109-F154 HydrophobicContact CB-CD2 4.44Å; D109-F154 HydrophobicContact CB-CE2 4.29Å; D109-F154 HydrophobicContact CB-CZ 4.39Å; D109-F154 WeakPolarHBondContact OD1-CD2 3.35Å; D109-R157 IonicContact OD1-CZ 3.76Å; D109-R157 IonicContact OD1-NH1 3.89Å; D109-R157 PolarHBondContact OD1-NH1 2.8Å; D109-R157 IonicContact OD1-NH2 2.79Å; D109-R157 IonicContact OD2-NH1 3.72Å |
| 110 | K | 86.6 | Confident | 87.3 | Confident | 134 Ų | 134 | 50.8 Ų | 50.8 | 58% | 0.583 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 175.1 | -66.4 | -179.7 | -177.5 | 175.9 | 0 | 111.7 | L107 S113 | L107-K110 PolarHBondContact O-N 3.07Å; K110-S113 WeakPolarHBondContact O-CB 3.31Å; K110-S113 PolarHBondContact O-N 2.96Å |
| 111 | I | 88.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.9 | -37.5 | 179.5 | -67.2 | 166.9 | 0 | 0 | 0 | 110.8 | L72 L96 V99 L100 L103 L107 C108 D109 S113 F114 V115 | L72-I111 HydrophobicContact CD2-CG1 4.46Å; L72-I111 HydrophobicContact CD2-CG2 4.25Å; L96-I111 HydrophobicContact CD1-CG2 3.81Å; V99-I111 HydrophobicContact CG1-CD1 3.57Å; L100-I111 HydrophobicContact CD2-CB 4.17Å; L100-I111 HydrophobicContact CD2-CG2 3.92Å; L100-I111 HydrophobicContact CG-CG2 4.38Å; L103-I111 HydrophobicContact CD1-CD1 3.23Å; L107-I111 WeakPolarHBondContact O-CG1 3.32Å; L107-I111 PolarHBondContact O-N 2.93Å; C108-I111 PolarHBondContact O-N 3.17Å; D109-I111 PolarHBondContact O-N 3.36Å; I111-S113 PolarHBondContact O-N 3.42Å; I111-F114 WeakPolarHBondContact O-CA 3.37Å; I111-F114 VanDerWaalsContact O-CB 3.26Å; I111-F114 WeakPolarHBondContact O-CB 3.24Å; I111-F114 PolarHBondContact O-N 3.02Å; I111-V115 PolarHBondContact O-N 3.15Å |
| 112 | F | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -34.1 | 176.3 | -162.8 | -98.2 | 0 | 0 | 0 | 112 | C108 D109 F114 V115 E116 L142 F154 I158 F161 | C108-F112 VanDerWaalsContact O-CB 3.27Å; C108-F112 WeakPolarHBondContact O-CB 3.4Å; C108-F112 PolarHBondContact O-N 3.43Å; D109-F112 PolarHBondContact O-N 3.32Å; F112-F114 PolarHBondContact O-N 3.29Å; F112-V115 WeakPolarHBondContact O-CA 3.39Å; F112-V115 WeakPolarHBondContact O-CB 3.34Å; F112-V115 PolarHBondContact O-N 3.01Å; F112-E116 HydrophobicContact CD1-CG 3.9Å; F112-E116 HydrophobicContact CE1-CG 3.74Å; F112-E116 WeakPolarHBondContact O-CG 3.47Å; F112-E116 PolarHBondContact O-N 3.45Å; F112-L142 HydrophobicContact CD2-CD1 4.1Å; F112-L142 HydrophobicContact CE2-CD1 4.43Å; F112-F154 HydrophobicContact CB-CE2 3.61Å; F112-F154 HydrophobicContact CB-CZ 3.88Å; F112-F154 AromaticContact CD1-CE2 3.8Å; F112-F154 HydrophobicContact CD1-CE2 3.8Å; F112-F154 HydrophobicContact CD2-CE2 4.5Å; F112-F154 AromaticContact CG-CE2 3.7Å; F112-F154 HydrophobicContact CG-CE2 3.7Å; F112-F154 HydrophobicContact CG-CZ 4.12Å; F112-I158 HydrophobicContact CD1-CG1 4.38Å; F112-I158 HydrophobicContact CD2-CG1 4.35Å; F112-I158 HydrophobicContact CE1-CB 4.49Å; F112-I158 HydrophobicContact CE1-CG1 3.92Å; F112-I158 HydrophobicContact CE2-CG1 3.9Å; F112-I158 HydrophobicContact CZ-CB 4.09Å; F112-I158 HydrophobicContact CZ-CG1 3.68Å; F112-I158 HydrophobicContact CZ-CG2 4.38Å; F112-F161 HydrophobicContact CE1-CB 3.97Å; F112-F161 HydrophobicContact CE1-CG 4.36Å; F112-F161 HydrophobicContact CE2-CD1 4.4Å; F112-F161 HydrophobicContact CZ-CB 3.67Å; F112-F161 AromaticContact CZ-CD1 3.88Å; F112-F161 HydrophobicContact CZ-CD1 3.88Å; F112-F161 AromaticContact CZ-CG 3.77Å; F112-F161 HydrophobicContact CZ-CG 3.77Å |
| 113 | S | 89.6 | Confident | 86.7 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 25% | 0.252 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.9 | -30.3 | 172.5 | -52.5 | 0 | 0 | 0 | 0 | 112.8 | D109 K110 I111 K117 R157 | D109-S113 PolarHBondContact O-N 3.01Å; D109-S113 VanDerWaalsContact O-N 3.09Å; D109-S113 PolarHBondContact O-OG 3.31Å; K110-S113 WeakPolarHBondContact O-CB 3.31Å; K110-S113 PolarHBondContact O-N 2.96Å; I111-S113 PolarHBondContact O-N 3.42Å; S113-K117 WeakPolarHBondContact O-CG 3.44Å; S113-K117 PolarHBondContact O-N 3.06Å; S113-R157 PolarHBondContact OG-NH2 3.38Å |
| 114 | F | 87.8 | Confident | 86.7 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.5 | -40.7 | 170.4 | 157.7 | -81.4 | 0 | 0 | 0 | 111.8 | L72 I75 Y76 I79 I111 F112 E116 K117 N118 W122 | L72-F114 HydrophobicContact CB-CD2 4.44Å; L72-F114 HydrophobicContact CB-CE2 4.45Å; L72-F114 HydrophobicContact CD1-CB 4.08Å; L72-F114 HydrophobicContact CD1-CD2 4.17Å; L72-F114 HydrophobicContact CD1-CG 4.3Å; L72-F114 HydrophobicContact CD2-CB 3.81Å; L72-F114 HydrophobicContact CD2-CD1 3.65Å; L72-F114 HydrophobicContact CD2-CD2 3.73Å; L72-F114 HydrophobicContact CD2-CE1 4.11Å; L72-F114 HydrophobicContact CD2-CE2 4.1Å; L72-F114 HydrophobicContact CD2-CG 3.47Å; L72-F114 VanDerWaalsContact CD2-CG 3.47Å; L72-F114 HydrophobicContact CD2-CZ 4.31Å; L72-F114 HydrophobicContact CG-CD2 4.32Å; L72-F114 HydrophobicContact CG-CG 4.42Å; I75-F114 HydrophobicContact CB-CZ 4.37Å; I75-F114 HydrophobicContact CG2-CE1 3.93Å; I75-F114 HydrophobicContact CG2-CZ 3.83Å; Y76-F114 HydrophobicContact CD1-CE2 4.26Å; Y76-F114 AromaticContact CD2-CE2 3.82Å; Y76-F114 HydrophobicContact CD2-CE2 3.82Å; Y76-F114 AromaticContact CE1-CE2 3.79Å; Y76-F114 HydrophobicContact CE1-CE2 3.79Å; Y76-F114 HydrophobicContact CE1-CZ 4.38Å; Y76-F114 AromaticContact CE2-CD2 3.95Å; Y76-F114 HydrophobicContact CE2-CD2 3.95Å; Y76-F114 AromaticContact CE2-CE2 3.35Å; Y76-F114 HydrophobicContact CE2-CE2 3.35Å; Y76-F114 HydrophobicContact CE2-CZ 4.43Å; Y76-F114 HydrophobicContact CG-CE2 4.25Å; Y76-F114 AromaticContact CZ-CD2 3.92Å; Y76-F114 AromaticContact CZ-CE2 3.3Å; I79-F114 HydrophobicContact CD1-CZ 4.49Å; I111-F114 WeakPolarHBondContact O-CA 3.37Å; I111-F114 VanDerWaalsContact O-CB 3.26Å; I111-F114 WeakPolarHBondContact O-CB 3.24Å; I111-F114 PolarHBondContact O-N 3.02Å; F112-F114 PolarHBondContact O-N 3.29Å; F114-E116 VanDerWaalsContact C-N 3.3Å; F114-E116 PolarHBondContact O-N 2.86Å; F114-K117 PolarHBondContact O-N 3.3Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.35Å; F114-N118 WeakPolarHBondContact CE2-ND2 2.95Å; F114-N118 WeakPolarHBondContact CZ-ND2 3.06Å; F114-N118 PolarHBondContact O-N 3.09Å; F114-N118 VanDerWaalsContact O-N 3.17Å; F114-N118 PolarHBondContact O-ND2 2.8Å; F114-W122 HydrophobicContact CE1-CZ2 4.36Å |
| 115 | V | 89.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | L96 I111 F112 K117 N118 W122 F161 | L96-V115 HydrophobicContact CD1-CG2 3.82Å; L96-V115 HydrophobicContact CD2-CG1 4.4Å; L96-V115 HydrophobicContact CD2-CG2 3.6Å; L96-V115 HydrophobicContact CG-CG2 4.26Å; I111-V115 PolarHBondContact O-N 3.15Å; F112-V115 WeakPolarHBondContact O-CA 3.39Å; F112-V115 WeakPolarHBondContact O-CB 3.34Å; F112-V115 PolarHBondContact O-N 3.01Å; V115-K117 PolarHBondContact O-N 3.25Å; V115-N118 PolarHBondContact O-N 2.93Å; V115-W122 PolarHBondContact O-NE1 3.34Å; V115-F161 HydrophobicContact CG1-CE1 4.12Å; V115-F161 HydrophobicContact CG1-CE2 3.73Å; V115-F161 HydrophobicContact CG1-CZ 3.49Å; V115-F161 VanDerWaalsContact CG1-CZ 3.49Å |
| 116 | E | 89.2 | Confident | 86.2 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 23% | 0.229 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 175.7 | -71.8 | 175.2 | 154.6 | 0 | 0 | 113.2 | F112 F114 N118 V119 R157 F161 | F112-E116 HydrophobicContact CD1-CG 3.9Å; F112-E116 HydrophobicContact CE1-CG 3.74Å; F112-E116 WeakPolarHBondContact O-CG 3.47Å; F112-E116 PolarHBondContact O-N 3.45Å; F114-E116 VanDerWaalsContact C-N 3.3Å; F114-E116 PolarHBondContact O-N 2.86Å; E116-N118 VanDerWaalsContact C-N 3.35Å; E116-V119 WeakPolarHBondContact O-CG2 3.35Å; E116-R157 IonicContact OE1-CZ 3.36Å; E116-R157 IonicContact OE1-NE 3.74Å; E116-R157 PolarHBondContact OE1-NE 2.89Å; E116-R157 VanDerWaalsContact OE1-NE 3.11Å; E116-R157 IonicContact OE1-NH2 3.02Å; E116-R157 IonicContact OE2-CZ 2.92Å; E116-R157 IonicContact OE2-NE 2.84Å; E116-R157 IonicContact OE2-NH2 3.85Å; E116-R157 PolarHBondContact OE2-NH2 3.28Å; E116-F161 HydrophobicContact CG-CD2 4.25Å |
| 117 | K | 89.3 | Confident | 86.3 | Confident | 166 Ų | 166 | 47.4 Ų | 47.4 | 72% | 0.722 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -68.6 | -34.8 | 177.6 | -74.7 | 173.1 | -176.8 | 178.1 | 0 | 112.1 | S113 F114 V115 V119 | S113-K117 WeakPolarHBondContact O-CG 3.44Å; S113-K117 PolarHBondContact O-N 3.06Å; F114-K117 PolarHBondContact O-N 3.3Å; V115-K117 PolarHBondContact O-N 3.25Å; K117-V119 PolarHBondContact O-N 3.46Å |
| 118 | N | 87.1 | Confident | 86.3 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 17.4 | -173.7 | -68.1 | -37 | 0 | 0 | 0 | 114.6 | F114 V115 E116 S120 T121 W122 | F114-N118 WeakPolarHBondContact CD2-ND2 3.35Å; F114-N118 WeakPolarHBondContact CE2-ND2 2.95Å; F114-N118 WeakPolarHBondContact CZ-ND2 3.06Å; F114-N118 PolarHBondContact O-N 3.09Å; F114-N118 VanDerWaalsContact O-N 3.17Å; F114-N118 PolarHBondContact O-ND2 2.8Å; V115-N118 PolarHBondContact O-N 2.93Å; E116-N118 VanDerWaalsContact C-N 3.35Å; N118-S120 PolarHBondContact O-N 3.13Å; N118-S120 VanDerWaalsContact O-N 3.16Å; N118-T121 WeakPolarHBondContact O-CB 3.49Å; N118-T121 PolarHBondContact O-N 3.3Å; N118-W122 VanDerWaalsContact C-CD1 3.44Å; N118-W122 HydrophobicContact CB-CZ2 4.28Å; N118-W122 PolarHBondContact O-N 3.34Å; N118-W122 PolarHBondContact O-NE1 2.97Å |
| 119 | V | 86.3 | Confident | 86.1 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.5 | -38 | 179.5 | 171.7 | 0 | 0 | 0 | 0 | 113.4 | E116 K117 T121 W122 K123 F161 R164 | E116-V119 WeakPolarHBondContact O-CG2 3.35Å; K117-V119 PolarHBondContact O-N 3.46Å; V119-T121 VanDerWaalsContact C-N 3.29Å; V119-T121 PolarHBondContact O-N 2.93Å; V119-W122 PolarHBondContact O-N 3.47Å; V119-K123 HydrophobicContact CG1-CD 4.11Å; V119-K123 HydrophobicContact CG1-CG 4.28Å; V119-K123 WeakPolarHBondContact O-CB 3.46Å; V119-K123 WeakPolarHBondContact O-CG 3.31Å; V119-K123 PolarHBondContact O-N 3.02Å; V119-F161 HydrophobicContact CG2-CD2 3.84Å; V119-F161 HydrophobicContact CG2-CE2 3.51Å; V119-R164 HydrophobicContact CG1-CG 4.21Å |
| 120 | S | 85.3 | Confident | 85.9 | Confident | 91 Ų | 91 | 50.9 Ų | 50.9 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.3 | -38.1 | 177.8 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | N118 S124 | N118-S120 PolarHBondContact O-N 3.13Å; N118-S120 VanDerWaalsContact O-N 3.16Å; S120-S124 PolarHBondContact O-N 3.47Å |
| 121 | T | 84.8 | Confident | 85.8 | Confident | 38 Ų | 38 | 44.6 Ų | 44.6 | 23% | 0.233 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.6 | -45.1 | 178.4 | -50.5 | 0 | 0 | 0 | 0 | 110.4 | I79 N118 V119 K123 S124 F127 | I79-T121 HydrophobicContact CG2-CG2 3.88Å; N118-T121 WeakPolarHBondContact O-CB 3.49Å; N118-T121 PolarHBondContact O-N 3.3Å; V119-T121 VanDerWaalsContact C-N 3.29Å; V119-T121 PolarHBondContact O-N 2.93Å; T121-K123 VanDerWaalsContact C-N 3.27Å; T121-K123 PolarHBondContact O-N 3.3Å; T121-S124 WeakPolarHBondContact O-CB 3.29Å; T121-S124 PolarHBondContact O-N 3.33Å; T121-S124 VanDerWaalsContact O-N 3.16Å; T121-S124 PolarHBondContact O-OG 3.33Å; T121-F127 HydrophobicContact CG2-CD2 4.15Å; T121-F127 HydrophobicContact CG2-CE2 4.08Å |
| 122 | W | 85.8 | Confident | 85.6 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -27.7 | 178.8 | -50.1 | 133.4 | 0 | 0 | 0 | 113.5 | I79 P92 F93 F114 V115 N118 V119 Y128 L135 L165 | I79-W122 HydrophobicContact CD1-CH2 3.72Å; I79-W122 HydrophobicContact CD1-CZ2 4.28Å; I79-W122 HydrophobicContact CD1-CZ3 4.29Å; I79-W122 HydrophobicContact CG1-CH2 4.19Å; I79-W122 HydrophobicContact CG1-CZ3 4.4Å; P92-W122 HydrophobicContact CB-CH2 4.38Å; P92-W122 HydrophobicContact CB-CZ3 4.28Å; F93-W122 HydrophobicContact CD1-CE3 4.28Å; F93-W122 HydrophobicContact CD1-CZ3 4.15Å; F93-W122 HydrophobicContact CE1-CD2 4Å; F93-W122 AromaticContact CE1-CE3 3.26Å; F93-W122 HydrophobicContact CE1-CE3 3.26Å; F93-W122 HydrophobicContact CE1-CH2 4.43Å; F93-W122 AromaticContact CE1-CZ3 3.51Å; F93-W122 HydrophobicContact CE1-CZ3 3.51Å; F93-W122 HydrophobicContact CZ-CD2 4.48Å; F93-W122 AromaticContact CZ-CE3 3.46Å; F93-W122 HydrophobicContact CZ-CE3 3.46Å; F93-W122 VanDerWaalsContact CZ-CE3 3.46Å; F93-W122 AromaticContact CZ-CZ3 3.75Å; F93-W122 HydrophobicContact CZ-CZ3 3.75Å; F114-W122 HydrophobicContact CE1-CZ2 4.36Å; V115-W122 PolarHBondContact O-NE1 3.34Å; N118-W122 VanDerWaalsContact C-CD1 3.44Å; N118-W122 HydrophobicContact CB-CZ2 4.28Å; N118-W122 PolarHBondContact O-N 3.34Å; N118-W122 PolarHBondContact O-NE1 2.97Å; V119-W122 PolarHBondContact O-N 3.47Å; W122-Y128 WeakPolarHBondContact O-CA 3.36Å; W122-Y128 PolarHBondContact O-N 2.64Å; W122-L135 HydrophobicContact CB-CD1 4.2Å; W122-L135 HydrophobicContact CG-CD1 4.4Å; W122-L165 HydrophobicContact CB-CD1 4.22Å |
| 123 | K | 84.4 | Confident | 85.5 | Confident | 102 Ų | 102 | 50.8 Ų | 50.8 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.4 | 176 | -77.5 | -169.2 | 174.1 | -163.4 | 0 | 114.6 | V119 T121 R164 | V119-K123 HydrophobicContact CG1-CD 4.11Å; V119-K123 HydrophobicContact CG1-CG 4.28Å; V119-K123 WeakPolarHBondContact O-CB 3.46Å; V119-K123 WeakPolarHBondContact O-CG 3.31Å; V119-K123 PolarHBondContact O-N 3.02Å; T121-K123 VanDerWaalsContact C-N 3.27Å; T121-K123 PolarHBondContact O-N 3.3Å; K123-R164 WeakPolarHBondContact CE-O 3.25Å; K123-R164 PolarHBondContact NZ-O 3.11Å |
| 124 | S | 85.6 | Confident | 85.5 | Confident | 44 Ų | 44 | 53 Ų | 53 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -68.5 | 149.9 | 177.6 | 72.8 | 0 | 0 | 0 | 0 | 110.7 | S120 T121 S126 F127 Y128 | S120-S124 PolarHBondContact O-N 3.47Å; T121-S124 WeakPolarHBondContact O-CB 3.29Å; T121-S124 PolarHBondContact O-N 3.33Å; T121-S124 VanDerWaalsContact O-N 3.16Å; T121-S124 PolarHBondContact O-OG 3.33Å; S124-S126 PolarHBondContact O-N 2.94Å; S124-F127 PolarHBondContact O-N 2.91Å; S124-F127 WeakPolarHBondContact OG-CD2 3.21Å; S124-Y128 WeakPolarHBondContact O-CB 3.41Å; S124-Y128 PolarHBondContact O-N 3.5Å |
| 125 | S | 80.6 | Confident | 85.6 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 72% | 0.72 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.6 | -32.8 | -172.7 | 64.5 | 0 | 0 | 0 | 0 | 113 | F127 | S125-F127 VanDerWaalsContact C-N 3.29Å; S125-F127 PolarHBondContact O-N 3.42Å |
| 126 | S | 79.2 | Confident | 85.6 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.6 | -32.4 | 178.2 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | S124 | S124-S126 PolarHBondContact O-N 2.94Å |
| 127 | F | 84 | Confident | 85.6 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -105.1 | -30.7 | -175.6 | -71.2 | -70.7 | 0 | 0 | 0 | 113.1 | I79 V82 T83 P92 F93 T121 S124 S125 G131 | I79-F127 HydrophobicContact CG2-CE2 4.42Å; I79-F127 HydrophobicContact CG2-CZ 4.07Å; V82-F127 HydrophobicContact CB-CE1 3.72Å; V82-F127 HydrophobicContact CB-CZ 3.71Å; V82-F127 HydrophobicContact CG1-CD1 4.29Å; V82-F127 HydrophobicContact CG1-CE1 3.35Å; V82-F127 HydrophobicContact CG1-CE2 4.46Å; V82-F127 HydrophobicContact CG1-CZ 3.46Å; V82-F127 VanDerWaalsContact CG1-CZ 3.46Å; V82-F127 HydrophobicContact CG2-CE1 4.2Å; T83-F127 HydrophobicContact CG2-CE2 4.12Å; T83-F127 HydrophobicContact CG2-CZ 4.28Å; P92-F127 HydrophobicContact CG-CE1 4.21Å; F93-F127 HydrophobicContact CE2-CB 4.37Å; F93-F127 HydrophobicContact CE2-CD1 4.07Å; F93-F127 HydrophobicContact CZ-CB 4.05Å; F93-F127 HydrophobicContact CZ-CD1 4.3Å; T121-F127 HydrophobicContact CG2-CD2 4.15Å; T121-F127 HydrophobicContact CG2-CE2 4.08Å; S124-F127 PolarHBondContact O-N 2.91Å; S124-F127 WeakPolarHBondContact OG-CD2 3.21Å; S125-F127 VanDerWaalsContact C-N 3.29Å; S125-F127 PolarHBondContact O-N 3.42Å; F127-G131 WeakPolarHBondContact O-CA 3.27Å; F127-G131 PolarHBondContact O-N 3.15Å |
| 128 | Y | 84.6 | Confident | 85.7 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -52.5 | -171.7 | -171.5 | -103.4 | 0 | 0 | 0 | 112.7 | W122 S124 A130 G131 K132 P167 E170 | W122-Y128 WeakPolarHBondContact O-CA 3.36Å; W122-Y128 PolarHBondContact O-N 2.64Å; S124-Y128 WeakPolarHBondContact O-CB 3.41Å; S124-Y128 PolarHBondContact O-N 3.5Å; Y128-A130 VanDerWaalsContact C-N 3.35Å; Y128-A130 PolarHBondContact O-N 3.36Å; Y128-G131 PolarHBondContact O-N 2.71Å; Y128-K132 HydrophobicContact CE1-CD 4.14Å; Y128-K132 VanDerWaalsContact O-CB 3.26Å; Y128-K132 WeakPolarHBondContact O-CB 3.41Å; Y128-K132 WeakPolarHBondContact O-CG 3.44Å; Y128-K132 PolarHBondContact O-N 3.32Å; Y128-P167 WeakPolarHBondContact OH-CD 3.06Å; Y128-E170 PolarHBondContact OH-OE2 3.25Å |
| 129 | T | 83.9 | Confident | 85.9 | Confident | 111 Ų | 111 | 50.4 Ų | 50.4 | 68% | 0.681 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.4 | -40.2 | -175.8 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 130 | A | 82.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -78.1 | -33.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A89 T90 Y128 Y134 | A89-A130 HydrophobicContact CB-CB 3.86Å; T90-A130 HydrophobicContact CG2-CB 4.22Å; Y128-A130 VanDerWaalsContact C-N 3.35Å; Y128-A130 PolarHBondContact O-N 3.36Å; A130-Y134 WeakPolarHBondContact O-CD2 3.35Å; A130-Y134 WeakPolarHBondContact O-CE2 3.18Å |
| 131 | G | 83 | Confident | 86.3 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -97.1 | -24.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | F93 F127 Y128 N133 Y134 L135 | F93-G131 VanDerWaalsContact CD2-CA 3.44Å; F93-G131 VanDerWaalsContact CZ-CA 3.47Å; F127-G131 WeakPolarHBondContact O-CA 3.27Å; F127-G131 PolarHBondContact O-N 3.15Å; Y128-G131 PolarHBondContact O-N 2.71Å; G131-N133 VanDerWaalsContact C-N 3.29Å; G131-N133 PolarHBondContact O-N 3.01Å; G131-N133 VanDerWaalsContact O-N 3.15Å; G131-Y134 WeakPolarHBondContact O-CB 3.16Å; G131-Y134 PolarHBondContact O-N 3.48Å; G131-L135 PolarHBondContact O-N 2.87Å |
| 132 | K | 85.3 | Confident | 86.5 | Confident | 56 Ų | 56 | 49.8 Ų | 49.8 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.1 | -39.1 | -169.4 | 66.5 | 179.7 | -166.3 | 160.7 | 0 | 114.7 | Y128 L136 F166 E170 | Y128-K132 HydrophobicContact CE1-CD 4.14Å; Y128-K132 VanDerWaalsContact O-CB 3.26Å; Y128-K132 WeakPolarHBondContact O-CB 3.41Å; Y128-K132 WeakPolarHBondContact O-CG 3.44Å; Y128-K132 PolarHBondContact O-N 3.32Å; K132-L136 WeakPolarHBondContact O-CB 3.35Å; K132-L136 PolarHBondContact O-N 3.48Å; K132-F166 HydrophobicContact CB-CE1 4.06Å; K132-E170 IonicContact NZ-OE1 3.03Å; K132-E170 PolarHBondContact NZ-OE1 2.89Å |
| 133 | N | 88.4 | Confident | 86.6 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73 | -32.3 | 179.2 | -71.3 | -35.1 | 0 | 0 | 0 | 112.2 | G131 R137 | G131-N133 VanDerWaalsContact C-N 3.29Å; G131-N133 PolarHBondContact O-N 3.01Å; G131-N133 VanDerWaalsContact O-N 3.15Å; N133-R137 VanDerWaalsContact O-CG 3.32Å; N133-R137 WeakPolarHBondContact O-CG 3.26Å; N133-R137 PolarHBondContact O-N 3.41Å |
| 134 | Y | 89.3 | Confident | 86.7 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 33% | 0.329 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.6 | -44.7 | 175.4 | -68.2 | -78.1 | 0 | 0 | 0 | 110.8 | T90 F93 V94 A130 G131 L136 R137 M138 | T90-Y134 HydrophobicContact CG2-CE2 3.87Å; F93-Y134 HydrophobicContact CB-CD2 4.3Å; F93-Y134 HydrophobicContact CB-CG 4.03Å; V94-Y134 HydrophobicContact CG2-CD1 4.38Å; V94-Y134 HydrophobicContact CG2-CE1 4Å; A130-Y134 WeakPolarHBondContact O-CD2 3.35Å; A130-Y134 WeakPolarHBondContact O-CE2 3.18Å; G131-Y134 WeakPolarHBondContact O-CB 3.16Å; G131-Y134 PolarHBondContact O-N 3.48Å; Y134-L136 VanDerWaalsContact C-N 3.31Å; Y134-L136 PolarHBondContact O-N 3.32Å; Y134-R137 PolarHBondContact O-N 2.76Å; Y134-M138 VanDerWaalsContact O-CB 3.25Å; Y134-M138 WeakPolarHBondContact O-CB 3.4Å; Y134-M138 PolarHBondContact O-N 3.14Å |
| 135 | L | 89.7 | Confident | 86.8 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 174.4 | -69.6 | 176.6 | 0 | 0 | 0 | 111.7 | F93 W122 G131 M138 C139 F161 L165 | F93-L135 HydrophobicContact CD1-CD1 4.35Å; F93-L135 HydrophobicContact CD1-CD2 3.82Å; F93-L135 HydrophobicContact CD1-CG 3.79Å; F93-L135 HydrophobicContact CE1-CD1 3.81Å; F93-L135 HydrophobicContact CE1-CD2 4Å; F93-L135 HydrophobicContact CE1-CG 3.77Å; W122-L135 HydrophobicContact CB-CD1 4.2Å; W122-L135 HydrophobicContact CG-CD1 4.4Å; G131-L135 PolarHBondContact O-N 2.87Å; L135-M138 HydrophobicContact CD2-CE 3.53Å; L135-C139 WeakPolarHBondContact O-CB 3.39Å; L135-C139 PolarHBondContact O-N 3.45Å; L135-C139 PolarHBondContact O-SG 3.29Å; L135-F161 HydrophobicContact CD1-CZ 4.48Å; L135-L165 HydrophobicContact CB-CD2 3.87Å; L135-L165 HydrophobicContact CD1-CD1 3.91Å; L135-L165 HydrophobicContact CD1-CD2 3.52Å; L135-L165 HydrophobicContact CD1-CG 4.38Å; L135-L165 HydrophobicContact CG-CD2 4.36Å |
| 136 | L | 89.6 | Confident | 87 | Confident | 41 Ų | 41 | 54 Ų | 54 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 175.6 | -171.7 | 82.1 | 0 | 0 | 0 | 111.9 | K132 Y134 C139 N140 L162 F166 | K132-L136 WeakPolarHBondContact O-CB 3.35Å; K132-L136 PolarHBondContact O-N 3.48Å; Y134-L136 VanDerWaalsContact C-N 3.31Å; Y134-L136 PolarHBondContact O-N 3.32Å; L136-C139 PolarHBondContact O-N 2.97Å; L136-N140 WeakPolarHBondContact O-CB 3.44Å; L136-N140 VanDerWaalsContact O-CG 3.25Å; L136-N140 PolarHBondContact O-N 2.76Å; L136-N140 PolarHBondContact O-ND2 2.9Å; L136-L162 HydrophobicContact CD1-CD2 4.37Å; L136-F166 HydrophobicContact CB-CZ 4.21Å; L136-F166 HydrophobicContact CD1-CE2 3.62Å; L136-F166 HydrophobicContact CD1-CZ 3.89Å |
| 137 | R | 89.8 | Confident | 86.9 | Confident | 139 Ų | 139 | 52.5 Ų | 52.5 | 53% | 0.525 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -51.6 | 179.6 | -74.1 | 176.8 | -168 | 136.6 | -0.1 | 111.3 | N133 Y134 C139 N140 D141 | N133-R137 VanDerWaalsContact O-CG 3.32Å; N133-R137 WeakPolarHBondContact O-CG 3.26Å; N133-R137 PolarHBondContact O-N 3.41Å; Y134-R137 PolarHBondContact O-N 2.76Å; R137-C139 VanDerWaalsContact C-N 3.31Å; R137-C139 PolarHBondContact O-N 3.46Å; R137-N140 CarbonylContact O-C 3.59Å; R137-N140 WeakPolarHBondContact O-CA 3.23Å; R137-N140 WeakPolarHBondContact O-CB 3.47Å; R137-N140 PolarHBondContact O-N 3.25Å; R137-D141 WeakPolarHBondContact O-CB 3.45Å; R137-D141 VanDerWaalsContact O-CG 3.28Å; R137-D141 PolarHBondContact O-N 2.95Å |
| 138 | M | 91 | Very high | 86.3 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.4 | -44.5 | 178.4 | -178.1 | -176.3 | 77.9 | 0 | 0 | 112.3 | L96 L100 Y134 L135 D141 L142 | L96-M138 HydrophobicContact CB-SD 4.32Å; L96-M138 HydrophobicContact CD2-CE 3.66Å; L96-M138 HydrophobicContact CD2-SD 3.58Å; L96-M138 VanDerWaalsContact CD2-SD 3.58Å; L96-M138 HydrophobicContact CG-CE 4.33Å; L96-M138 HydrophobicContact CG-SD 3.65Å; L100-M138 HydrophobicContact CD1-CE 4.14Å; L100-M138 HydrophobicContact CD1-CG 3.48Å; L100-M138 VanDerWaalsContact CD1-CG 3.48Å; L100-M138 HydrophobicContact CD1-SD 3.35Å; L100-M138 WeakPolarHBondContact CD1-SD 3.33Å; Y134-M138 VanDerWaalsContact O-CB 3.25Å; Y134-M138 WeakPolarHBondContact O-CB 3.4Å; Y134-M138 PolarHBondContact O-N 3.14Å; L135-M138 HydrophobicContact CD2-CE 3.53Å; M138-D141 PolarHBondContact O-N 3Å; M138-L142 WeakPolarHBondContact O-CB 3.25Å; M138-L142 WeakPolarHBondContact O-CG 3.37Å; M138-L142 PolarHBondContact O-N 3.44Å |
| 139 | C | 90.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 176 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | L135 L136 R137 L142 L143 I158 L162 | L135-C139 WeakPolarHBondContact O-CB 3.39Å; L135-C139 PolarHBondContact O-N 3.45Å; L135-C139 PolarHBondContact O-SG 3.29Å; L136-C139 PolarHBondContact O-N 2.97Å; R137-C139 VanDerWaalsContact C-N 3.31Å; R137-C139 PolarHBondContact O-N 3.46Å; C139-L142 PolarHBondContact O-N 3.14Å; C139-L143 WeakPolarHBondContact O-CB 3.33Å; C139-L143 VanDerWaalsContact O-CG 3.27Å; C139-L143 WeakPolarHBondContact O-CG 3.26Å; C139-L143 PolarHBondContact O-N 2.97Å; C139-I158 HydrophobicContact CB-CG2 3.6Å; C139-L162 HydrophobicContact CB-CD1 3.76Å; C139-L162 HydrophobicContact CB-CD2 3.76Å; C139-L162 HydrophobicContact CB-CG 3.93Å |
| 140 | N | 89.5 | Confident | 85 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 34% | 0.342 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 176.7 | -74.5 | -27.6 | 0 | 0 | 0 | 112.4 | L136 R137 L143 R144 | L136-N140 WeakPolarHBondContact O-CB 3.44Å; L136-N140 VanDerWaalsContact O-CG 3.25Å; L136-N140 PolarHBondContact O-N 2.76Å; L136-N140 PolarHBondContact O-ND2 2.9Å; R137-N140 CarbonylContact O-C 3.59Å; R137-N140 WeakPolarHBondContact O-CA 3.23Å; R137-N140 WeakPolarHBondContact O-CB 3.47Å; R137-N140 PolarHBondContact O-N 3.25Å; N140-L143 PolarHBondContact O-N 3.34Å; N140-R144 VanDerWaalsContact O-CG 3.31Å; N140-R144 WeakPolarHBondContact O-CG 3.47Å; N140-R144 PolarHBondContact O-N 3.24Å |
| 141 | D | 89.8 | Confident | 84.8 | Confident | 55 Ų | 55 | 65 Ų | 65 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 177.9 | -66.4 | -31.5 | 0 | 0 | 0 | 110.8 | R137 M138 R144 R145 | R137-D141 WeakPolarHBondContact O-CB 3.45Å; R137-D141 VanDerWaalsContact O-CG 3.28Å; R137-D141 PolarHBondContact O-N 2.95Å; M138-D141 PolarHBondContact O-N 3Å; D141-R144 PolarHBondContact O-N 2.93Å; D141-R144 IonicContact OD1-NH1 2.64Å; D141-R145 WeakPolarHBondContact O-CG 3.41Å; D141-R145 PolarHBondContact O-N 2.93Å |
| 142 | L | 89.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 168 | -74 | 176.1 | 0 | 0 | 0 | 111.6 | L100 C108 F112 M138 C139 R144 R145 L146 I158 | L100-L142 HydrophobicContact CD1-CD1 4.2Å; C108-L142 HydrophobicContact CB-CD2 4.28Å; F112-L142 HydrophobicContact CD2-CD1 4.1Å; F112-L142 HydrophobicContact CE2-CD1 4.43Å; M138-L142 WeakPolarHBondContact O-CB 3.25Å; M138-L142 WeakPolarHBondContact O-CG 3.37Å; M138-L142 PolarHBondContact O-N 3.44Å; C139-L142 PolarHBondContact O-N 3.14Å; L142-R144 PolarHBondContact O-N 3.41Å; L142-R145 PolarHBondContact O-N 3Å; L142-R145 VanDerWaalsContact O-N 3.08Å; L142-L146 WeakPolarHBondContact O-CB 3.37Å; L142-L146 WeakPolarHBondContact O-CG 3.36Å; L142-L146 PolarHBondContact O-N 3.41Å; L142-I158 HydrophobicContact CB-CD1 3.82Å; L142-I158 HydrophobicContact CD1-CD1 4.14Å |
| 143 | L | 88.3 | Confident | 84.9 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 19% | 0.188 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -28 | 178.2 | -73.2 | 172 | 0 | 0 | 0 | 113.3 | C139 N140 C155 I158 Q159 | C139-L143 WeakPolarHBondContact O-CB 3.33Å; C139-L143 VanDerWaalsContact O-CG 3.27Å; C139-L143 WeakPolarHBondContact O-CG 3.26Å; C139-L143 PolarHBondContact O-N 2.97Å; N140-L143 PolarHBondContact O-N 3.34Å; L143-C155 HydrophobicContact CD2-CB 3.9Å; L143-I158 HydrophobicContact CD1-CG2 4.2Å; L143-I158 HydrophobicContact CD2-CB 4.34Å; L143-I158 HydrophobicContact CD2-CD1 4.41Å; L143-I158 HydrophobicContact CD2-CG2 4.29Å; L143-I158 HydrophobicContact CG-CG2 4.01Å; L143-Q159 HydrophobicContact CD1-CG 4.47Å |
| 144 | R | 87.4 | Confident | 84.9 | Confident | 203 Ų | 203 | 67.9 Ų | 67.9 | 77% | 0.766 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -77.4 | -34.8 | 174 | -74.9 | 170.6 | 178 | -177.4 | -2.8 | 112.8 | N140 D141 L142 | N140-R144 VanDerWaalsContact O-CG 3.31Å; N140-R144 WeakPolarHBondContact O-CG 3.47Å; N140-R144 PolarHBondContact O-N 3.24Å; D141-R144 PolarHBondContact O-N 2.93Å; D141-R144 IonicContact OD1-NH1 2.64Å; L142-R144 PolarHBondContact O-N 3.41Å |
| 145 | R | 86.4 | Confident | 84.8 | Confident | 92 Ų | 92 | 64.6 Ų | 64.6 | 35% | 0.347 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -78 | -27.6 | 178.5 | -72.4 | 170.8 | 63.7 | -157.8 | -1 | 112.8 | L100 D101 L103 L105 D141 L142 | L100-R145 PolarHBondContact O-NH1 3.06Å; L100-R145 PolarHBondContact O-NH2 3.48Å; D101-R145 IonicContact OD1-NH1 3.46Å; L103-R145 PolarHBondContact O-NH2 3.35Å; L105-R145 HydrophobicContact CD2-CB 4.48Å; D141-R145 WeakPolarHBondContact O-CG 3.41Å; D141-R145 PolarHBondContact O-N 2.93Å; L142-R145 PolarHBondContact O-N 3Å; L142-R145 VanDerWaalsContact O-N 3.08Å |
| 146 | L | 85.2 | Confident | 84.8 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -75.6 | 136.3 | -178 | -71.2 | 167.8 | 0 | 0 | 0 | 112.3 | L105 L142 K148 N151 F154 I158 | L105-L146 HydrophobicContact CD1-CD2 4.05Å; L105-L146 HydrophobicContact CD2-CD2 3.7Å; L105-L146 HydrophobicContact CD2-CG 4.4Å; L105-L146 HydrophobicContact CG-CD2 4.32Å; L142-L146 WeakPolarHBondContact O-CB 3.37Å; L142-L146 WeakPolarHBondContact O-CG 3.36Å; L142-L146 PolarHBondContact O-N 3.41Å; L146-K148 PolarHBondContact O-N 3.2Å; L146-N151 HydrophobicContact CB-CB 4.48Å; L146-N151 HydrophobicContact CD2-CB 3.85Å; L146-F154 HydrophobicContact CD1-CD1 3.41Å; L146-F154 VanDerWaalsContact CD1-CD1 3.41Å; L146-F154 HydrophobicContact CD1-CE1 3.73Å; L146-F154 HydrophobicContact CD1-CG 4.25Å; L146-F154 HydrophobicContact CD2-CD1 3.49Å; L146-F154 VanDerWaalsContact CD2-CD1 3.49Å; L146-F154 HydrophobicContact CD2-CE1 3.9Å; L146-F154 HydrophobicContact CG-CD1 4.08Å; L146-F154 HydrophobicContact CG-CE1 4.34Å; L146-I158 HydrophobicContact CD1-CD1 3.53Å |
| 147 | S | 77.1 | Confident | 84.9 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 33% | 0.329 | 33% | 0.331 | S | S | . | . | trans | -68 | 127.6 | 167.3 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | S149 N151 | S147-S149 PolarHBondContact O-N 3.02Å; S147-S149 PolarHBondContact OG-N 2.96Å; S147-S149 PolarHBondContact OG-OG 3.17Å; S147-N151 PolarHBondContact O-N 3Å | ||
| 148 | K | 70.3 | Confident | 85 | Confident | 150 Ų | 150 | 60.1 Ų | 60.1 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -3.6 | 178.1 | -62.9 | -179.1 | -177.5 | 174.6 | 0 | 113.6 | L146 T152 | L146-K148 PolarHBondContact O-N 3.2Å; K148-T152 VanDerWaalsContact O-CG2 3.29Å; K148-T152 WeakPolarHBondContact O-CG2 3.31Å |
| 149 | S | 68.6 | Low | 84.9 | Confident | 92 Ų | 92 | 65.1 Ų | 65.1 | 64% | 0.643 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -41.7 | 178.6 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | S147 | S147-S149 PolarHBondContact O-N 3.02Å; S147-S149 PolarHBondContact OG-N 2.96Å; S147-S149 PolarHBondContact OG-OG 3.17Å |
| 150 | Q | 72.8 | Confident | 84.9 | Confident | 161 Ų | 161 | 71.1 Ų | 71.1 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -36.3 | -175.1 | -68.9 | 173.6 | -10.1 | 0 | 0 | 112.9 | T152 | Q150-T152 PolarHBondContact O-N 3.12Š|
| 151 | N | 80.1 | Confident | 85 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | trans | -103.9 | 35.1 | -171.4 | -63.4 | -30.7 | 0 | 0 | 0 | 112.9 | L146 S147 V153 F154 C155 | L146-N151 HydrophobicContact CB-CB 4.48Å; L146-N151 HydrophobicContact CD2-CB 3.85Å; S147-N151 PolarHBondContact O-N 3Å; N151-V153 VanDerWaalsContact C-N 3.32Å; N151-V153 PolarHBondContact O-N 3.21Å; N151-F154 PolarHBondContact O-N 3.22Å; N151-C155 PolarHBondContact O-N 2.94Å; N151-C155 PolarHBondContact O-SG 3.33Å; N151-C155 VanDerWaalsContact O-SG 3.34Å | ||
| 152 | T | 83.4 | Confident | 84.9 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | -176.8 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | K148 Q150 C155 G156 | K148-T152 VanDerWaalsContact O-CG2 3.29Å; K148-T152 WeakPolarHBondContact O-CG2 3.31Å; Q150-T152 PolarHBondContact O-N 3.12Å; T152-C155 PolarHBondContact O-N 3.37Å; T152-G156 PolarHBondContact O-N 3.25Å |
| 153 | V | 86.8 | Confident | 84.8 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 68% | 0.679 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 111 | N151 G156 R157 | N151-V153 VanDerWaalsContact C-N 3.32Å; N151-V153 PolarHBondContact O-N 3.21Å; V153-G156 PolarHBondContact O-N 3.34Å; V153-R157 PolarHBondContact O-N 3.03Å |
| 154 | F | 87.6 | Confident | 84.7 | Confident | 14 Ų | 14 | 75.9 Ų | 75.9 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 179.5 | -174.7 | -137.9 | 0 | 0 | 0 | 111.9 | D109 F112 L146 N151 G156 R157 I158 | D109-F154 HydrophobicContact CB-CD2 4.44Å; D109-F154 HydrophobicContact CB-CE2 4.29Å; D109-F154 HydrophobicContact CB-CZ 4.39Å; D109-F154 WeakPolarHBondContact OD1-CD2 3.35Å; F112-F154 HydrophobicContact CB-CE2 3.61Å; F112-F154 HydrophobicContact CB-CZ 3.88Å; F112-F154 AromaticContact CD1-CE2 3.8Å; F112-F154 HydrophobicContact CD1-CE2 3.8Å; F112-F154 HydrophobicContact CD2-CE2 4.5Å; F112-F154 AromaticContact CG-CE2 3.7Å; F112-F154 HydrophobicContact CG-CE2 3.7Å; F112-F154 HydrophobicContact CG-CZ 4.12Å; L146-F154 HydrophobicContact CD1-CD1 3.41Å; L146-F154 VanDerWaalsContact CD1-CD1 3.41Å; L146-F154 HydrophobicContact CD1-CE1 3.73Å; L146-F154 HydrophobicContact CD1-CG 4.25Å; L146-F154 HydrophobicContact CD2-CD1 3.49Å; L146-F154 VanDerWaalsContact CD2-CD1 3.49Å; L146-F154 HydrophobicContact CD2-CE1 3.9Å; L146-F154 HydrophobicContact CG-CD1 4.08Å; L146-F154 HydrophobicContact CG-CE1 4.34Å; N151-F154 PolarHBondContact O-N 3.22Å; F154-G156 VanDerWaalsContact C-N 3.29Å; F154-G156 PolarHBondContact O-N 2.91Å; F154-R157 WeakPolarHBondContact O-CB 3.42Å; F154-R157 PolarHBondContact O-N 3.11Å; F154-I158 HydrophobicContact CD1-CD1 4.31Å; F154-I158 HydrophobicContact CD2-CD1 4.46Å; F154-I158 HydrophobicContact CD2-CG1 4.45Å; F154-I158 HydrophobicContact CE1-CD1 4.04Å; F154-I158 HydrophobicContact CE2-CD1 4.19Å; F154-I158 HydrophobicContact CE2-CG1 4.16Å; F154-I158 HydrophobicContact CG-CD1 4.5Å; F154-I158 HydrophobicContact CZ-CD1 3.97Å; F154-I158 HydrophobicContact CZ-CG1 4.36Å; F154-I158 WeakPolarHBondContact O-CG1 3.47Å; F154-I158 PolarHBondContact O-N 2.96Å |
| 155 | C | 88.3 | Confident | 84.6 | Confident | 16 Ų | 16 | 66.3 Ų | 66.3 | 11% | 0.108 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.1 | -43.3 | 169.8 | -70.7 | 0 | 0 | 0 | 0 | 112.1 | L143 N151 T152 I158 Q159 | L143-C155 HydrophobicContact CD2-CB 3.9Å; N151-C155 PolarHBondContact O-N 2.94Å; N151-C155 PolarHBondContact O-SG 3.33Å; N151-C155 VanDerWaalsContact O-SG 3.34Å; T152-C155 PolarHBondContact O-N 3.37Å; C155-I158 PolarHBondContact O-N 3.34Å; C155-Q159 WeakPolarHBondContact O-CG 3.19Å; C155-Q159 PolarHBondContact O-N 3.07Å |
| 156 | G | 89.4 | Confident | 84.4 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 27% | 0.268 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T152 V153 F154 I158 Q159 L160 | T152-G156 PolarHBondContact O-N 3.25Å; V153-G156 PolarHBondContact O-N 3.34Å; F154-G156 VanDerWaalsContact C-N 3.29Å; F154-G156 PolarHBondContact O-N 2.91Å; G156-I158 PolarHBondContact O-N 2.65Å; G156-Q159 PolarHBondContact O-N 2.63Å; G156-L160 WeakPolarHBondContact O-CB 3.45Å; G156-L160 WeakPolarHBondContact O-CG 3.33Å; G156-L160 PolarHBondContact O-N 2.8Å |
| 157 | R | 91.9 | Very high | 84.1 | Confident | 61 Ų | 61 | 65 Ų | 65 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 174.3 | -76.9 | 176.3 | 61.2 | -161.5 | -2.3 | 112.6 | D109 S113 E116 V153 F154 Q159 L160 F161 | D109-R157 IonicContact OD1-CZ 3.76Å; D109-R157 IonicContact OD1-NH1 3.89Å; D109-R157 PolarHBondContact OD1-NH1 2.8Å; D109-R157 IonicContact OD1-NH2 2.79Å; D109-R157 IonicContact OD2-NH1 3.72Å; S113-R157 PolarHBondContact OG-NH2 3.38Å; E116-R157 IonicContact OE1-CZ 3.36Å; E116-R157 IonicContact OE1-NE 3.74Å; E116-R157 PolarHBondContact OE1-NE 2.89Å; E116-R157 VanDerWaalsContact OE1-NE 3.11Å; E116-R157 IonicContact OE1-NH2 3.02Å; E116-R157 IonicContact OE2-CZ 2.92Å; E116-R157 IonicContact OE2-NE 2.84Å; E116-R157 IonicContact OE2-NH2 3.85Å; E116-R157 PolarHBondContact OE2-NH2 3.28Å; V153-R157 PolarHBondContact O-N 3.03Å; F154-R157 WeakPolarHBondContact O-CB 3.42Å; F154-R157 PolarHBondContact O-N 3.11Å; R157-Q159 PolarHBondContact O-N 3.35Å; R157-L160 PolarHBondContact O-N 3.46Å; R157-F161 WeakPolarHBondContact O-CB 3.22Å; R157-F161 PolarHBondContact O-N 3.36Å |
| 158 | I | 91.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.6 | -65.7 | 165 | 0 | 0 | 0 | 111.1 | F112 C139 L142 L143 L146 F154 C155 G156 F161 L162 | F112-I158 HydrophobicContact CD1-CG1 4.38Å; F112-I158 HydrophobicContact CD2-CG1 4.35Å; F112-I158 HydrophobicContact CE1-CB 4.49Å; F112-I158 HydrophobicContact CE1-CG1 3.92Å; F112-I158 HydrophobicContact CE2-CG1 3.9Å; F112-I158 HydrophobicContact CZ-CB 4.09Å; F112-I158 HydrophobicContact CZ-CG1 3.68Å; F112-I158 HydrophobicContact CZ-CG2 4.38Å; C139-I158 HydrophobicContact CB-CG2 3.6Å; L142-I158 HydrophobicContact CB-CD1 3.82Å; L142-I158 HydrophobicContact CD1-CD1 4.14Å; L143-I158 HydrophobicContact CD1-CG2 4.2Å; L143-I158 HydrophobicContact CD2-CB 4.34Å; L143-I158 HydrophobicContact CD2-CD1 4.41Å; L143-I158 HydrophobicContact CD2-CG2 4.29Å; L143-I158 HydrophobicContact CG-CG2 4.01Å; L146-I158 HydrophobicContact CD1-CD1 3.53Å; F154-I158 HydrophobicContact CD1-CD1 4.31Å; F154-I158 HydrophobicContact CD2-CD1 4.46Å; F154-I158 HydrophobicContact CD2-CG1 4.45Å; F154-I158 HydrophobicContact CE1-CD1 4.04Å; F154-I158 HydrophobicContact CE2-CD1 4.19Å; F154-I158 HydrophobicContact CE2-CG1 4.16Å; F154-I158 HydrophobicContact CG-CD1 4.5Å; F154-I158 HydrophobicContact CZ-CD1 3.97Å; F154-I158 HydrophobicContact CZ-CG1 4.36Å; F154-I158 WeakPolarHBondContact O-CG1 3.47Å; F154-I158 PolarHBondContact O-N 2.96Å; C155-I158 PolarHBondContact O-N 3.34Å; G156-I158 PolarHBondContact O-N 2.65Å; I158-F161 WeakPolarHBondContact O-CB 3.34Å; I158-F161 PolarHBondContact O-N 2.92Å; I158-L162 HydrophobicContact CG2-CD1 4.35Å; I158-L162 WeakPolarHBondContact O-CG 3.49Å; I158-L162 PolarHBondContact O-N 2.76Å |
| 159 | Q | 89.1 | Confident | 83.8 | Confident | 116 Ų | 116 | 63.5 Ų | 63.5 | 54% | 0.542 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 178 | -70.5 | 177.8 | -4.1 | 0 | 0 | 112.4 | L143 C155 G156 R157 F161 L162 A163 | L143-Q159 HydrophobicContact CD1-CG 4.47Å; C155-Q159 WeakPolarHBondContact O-CG 3.19Å; C155-Q159 PolarHBondContact O-N 3.07Å; G156-Q159 PolarHBondContact O-N 2.63Å; R157-Q159 PolarHBondContact O-N 3.35Å; Q159-F161 VanDerWaalsContact C-N 3.32Å; Q159-F161 PolarHBondContact O-N 2.92Å; Q159-L162 PolarHBondContact O-N 2.99Å; Q159-A163 WeakPolarHBondContact O-CB 3.37Å; Q159-A163 PolarHBondContact O-N 3.31Å |
| 160 | L | 90.3 | Very high | 84.2 | Confident | 125 Ų | 125 | 60.4 Ų | 60.4 | 65% | 0.654 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.9 | -39 | 174.5 | -73.4 | 173.1 | 0 | 0 | 0 | 111.9 | G156 R157 A163 R164 | G156-L160 WeakPolarHBondContact O-CB 3.45Å; G156-L160 WeakPolarHBondContact O-CG 3.33Å; G156-L160 PolarHBondContact O-N 2.8Å; R157-L160 PolarHBondContact O-N 3.46Å; L160-A163 PolarHBondContact O-N 3.21Å; L160-R164 WeakPolarHBondContact O-CB 3.14Å; L160-R164 PolarHBondContact O-N 3.35Å |
| 161 | F | 90.9 | Very high | 84.3 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 173.8 | 172.7 | -95.7 | 0 | 0 | 0 | 111.6 | F112 V115 E116 V119 L135 R157 I158 Q159 A163 R164 L165 | F112-F161 HydrophobicContact CE1-CB 3.97Å; F112-F161 HydrophobicContact CE1-CG 4.36Å; F112-F161 HydrophobicContact CE2-CD1 4.4Å; F112-F161 HydrophobicContact CZ-CB 3.67Å; F112-F161 AromaticContact CZ-CD1 3.88Å; F112-F161 HydrophobicContact CZ-CD1 3.88Å; F112-F161 AromaticContact CZ-CG 3.77Å; F112-F161 HydrophobicContact CZ-CG 3.77Å; V115-F161 HydrophobicContact CG1-CE1 4.12Å; V115-F161 HydrophobicContact CG1-CE2 3.73Å; V115-F161 HydrophobicContact CG1-CZ 3.49Å; V115-F161 VanDerWaalsContact CG1-CZ 3.49Å; E116-F161 HydrophobicContact CG-CD2 4.25Å; V119-F161 HydrophobicContact CG2-CD2 3.84Å; V119-F161 HydrophobicContact CG2-CE2 3.51Å; L135-F161 HydrophobicContact CD1-CZ 4.48Å; R157-F161 WeakPolarHBondContact O-CB 3.22Å; R157-F161 PolarHBondContact O-N 3.36Å; I158-F161 WeakPolarHBondContact O-CB 3.34Å; I158-F161 PolarHBondContact O-N 2.92Å; Q159-F161 VanDerWaalsContact C-N 3.32Å; Q159-F161 PolarHBondContact O-N 2.92Å; F161-A163 PolarHBondContact O-N 3.33Å; F161-R164 CarbonylContact O-C 3.54Å; F161-R164 PolarHBondContact O-N 3.09Å; F161-R164 VanDerWaalsContact O-N 3.15Å; F161-L165 HydrophobicContact CE1-CD2 4.28Å; F161-L165 WeakPolarHBondContact O-CB 3.35Å; F161-L165 PolarHBondContact O-N 3.2Å |
| 162 | L | 88.3 | Confident | 83.9 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 12% | 0.12 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 176.6 | -71.8 | 171.7 | 0 | 0 | 0 | 111.9 | L136 C139 I158 Q159 R164 L165 F166 | L136-L162 HydrophobicContact CD1-CD2 4.37Å; C139-L162 HydrophobicContact CB-CD1 3.76Å; C139-L162 HydrophobicContact CB-CD2 3.76Å; C139-L162 HydrophobicContact CB-CG 3.93Å; I158-L162 HydrophobicContact CG2-CD1 4.35Å; I158-L162 WeakPolarHBondContact O-CG 3.49Å; I158-L162 PolarHBondContact O-N 2.76Å; Q159-L162 PolarHBondContact O-N 2.99Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-R164 PolarHBondContact O-N 3.33Å; L162-L165 PolarHBondContact O-N 2.65Å; L162-F166 HydrophobicContact CD2-CD2 4.48Å; L162-F166 HydrophobicContact CD2-CE2 3.84Å; L162-F166 VanDerWaalsContact O-CD2 3.31Å; L162-F166 WeakPolarHBondContact O-CD2 3.48Å; L162-F166 PolarHBondContact O-N 2.96Å |
| 163 | A | 86.9 | Confident | 83.4 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 59% | 0.587 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.1 | -31.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q159 L160 F161 | Q159-A163 WeakPolarHBondContact O-CB 3.37Å; Q159-A163 PolarHBondContact O-N 3.31Å; L160-A163 PolarHBondContact O-N 3.21Å; F161-A163 PolarHBondContact O-N 3.33Å |
| 164 | R | 87.3 | Confident | 82.9 | Confident | 156 Ų | 156 | 57.2 Ų | 57.2 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -75.5 | -35.8 | 174.2 | -174.2 | 177.4 | 179.6 | 177.7 | -1.1 | 112 | V119 K123 L160 F161 L162 | V119-R164 HydrophobicContact CG1-CG 4.21Å; K123-R164 WeakPolarHBondContact CE-O 3.25Å; K123-R164 PolarHBondContact NZ-O 3.11Å; L160-R164 WeakPolarHBondContact O-CB 3.14Å; L160-R164 PolarHBondContact O-N 3.35Å; F161-R164 CarbonylContact O-C 3.54Å; F161-R164 PolarHBondContact O-N 3.09Å; F161-R164 VanDerWaalsContact O-N 3.15Å; L162-R164 VanDerWaalsContact C-N 3.27Å; L162-R164 PolarHBondContact O-N 3.33Å |
| 165 | L | 84.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.5 | -49.5 | -176.9 | -177 | 71.1 | 0 | 0 | 0 | 111.2 | W122 L135 F161 L162 | W122-L165 HydrophobicContact CB-CD1 4.22Å; L135-L165 HydrophobicContact CB-CD2 3.87Å; L135-L165 HydrophobicContact CD1-CD1 3.91Å; L135-L165 HydrophobicContact CD1-CD2 3.52Å; L135-L165 HydrophobicContact CD1-CG 4.38Å; L135-L165 HydrophobicContact CG-CD2 4.36Å; F161-L165 HydrophobicContact CE1-CD2 4.28Å; F161-L165 WeakPolarHBondContact O-CB 3.35Å; F161-L165 PolarHBondContact O-N 3.2Å; L162-L165 PolarHBondContact O-N 2.65Å |
| 166 | F | 82.8 | Confident | 82.2 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 7% | 0.066 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -86.8 | 131 | -175.3 | -65.6 | -60.2 | 0 | 0 | 0 | 112.1 | K132 L136 L162 E170 | K132-F166 HydrophobicContact CB-CE1 4.06Å; L136-F166 HydrophobicContact CB-CZ 4.21Å; L136-F166 HydrophobicContact CD1-CE2 3.62Å; L136-F166 HydrophobicContact CD1-CZ 3.89Å; L162-F166 HydrophobicContact CD2-CD2 4.48Å; L162-F166 HydrophobicContact CD2-CE2 3.84Å; L162-F166 VanDerWaalsContact O-CD2 3.31Å; L162-F166 WeakPolarHBondContact O-CD2 3.48Å; L162-F166 PolarHBondContact O-N 2.96Å; F166-E170 HydrophobicContact CB-CB 4.38Å; F166-E170 VanDerWaalsContact CD1-CD 3.45Å; F166-E170 HydrophobicContact CD1-CG 4.18Å; F166-E170 VanDerWaalsContact CD1-OE2 3.27Å; F166-E170 WeakPolarHBondContact CD1-OE2 3.38Å |
| 167 | P | 78.4 | Confident | 81.5 | Confident | 59 Ų | 59 | 66.3 Ų | 66.3 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | trans | -57.4 | 149.3 | 166.3 | -22.6 | 32.7 | 0 | 0 | 0 | 111.2 | Y128 S169 E170 | Y128-P167 WeakPolarHBondContact OH-CD 3.06Å; P167-S169 PolarHBondContact O-N 2.74Å; P167-E170 WeakPolarHBondContact O-CB 3.16Å; P167-E170 PolarHBondContact O-N 3.17Å | ||
| 168 | L | 71.8 | Confident | 81 | Confident | 116 Ų | 116 | 64.6 Ų | 64.6 | 61% | 0.607 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.2 | 179 | -67.9 | 171.5 | 0 | 0 | 0 | 113.8 | L174 | L168-L174 WeakPolarHBondContact O-CD1 3.33Š|
| 169 | S | 69.3 | Low | 80.6 | Confident | 49 Ų | 49 | 70.6 Ų | 70.6 | 34% | 0.343 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -6.5 | 177.3 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | P167 K171 | P167-S169 PolarHBondContact O-N 2.74Å; S169-K171 PolarHBondContact O-N 3.32Å |
| 170 | E | 77.8 | Confident | 80.4 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | trans | -77.1 | 122.6 | -179 | -175.6 | 151.6 | -172.8 | 0 | 0 | 111.1 | Y128 K132 F166 P167 S172 G173 | Y128-E170 PolarHBondContact OH-OE2 3.25Å; K132-E170 IonicContact NZ-OE1 3.03Å; K132-E170 PolarHBondContact NZ-OE1 2.89Å; F166-E170 HydrophobicContact CB-CB 4.38Å; F166-E170 VanDerWaalsContact CD1-CD 3.45Å; F166-E170 HydrophobicContact CD1-CG 4.18Å; F166-E170 VanDerWaalsContact CD1-OE2 3.27Å; F166-E170 WeakPolarHBondContact CD1-OE2 3.38Å; P167-E170 WeakPolarHBondContact O-CB 3.16Å; P167-E170 PolarHBondContact O-N 3.17Å; E170-S172 PolarHBondContact O-N 2.93Å; E170-S172 VanDerWaalsContact O-N 3.09Å; E170-G173 PolarHBondContact O-N 2.96Å | ||
| 171 | K | 74.6 | Confident | 80.1 | Confident | 161 Ų | 161 | 68 Ų | 68 | 70% | 0.7 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -56.1 | -31.4 | -176.2 | -59.8 | -175.9 | 179.9 | 176.5 | 0 | 113.4 | S169 G173 L174 L176 | S169-K171 PolarHBondContact O-N 3.32Å; K171-G173 VanDerWaalsContact C-N 3.27Å; K171-G173 PolarHBondContact O-N 3.42Å; K171-L174 PolarHBondContact O-N 3.17Å; K171-L176 HydrophobicContact CB-CD1 4.05Å; K171-L176 HydrophobicContact CD-CD1 4.33Å; K171-L176 HydrophobicContact CG-CD1 4.01Å |
| 172 | S | 71 | Confident | 79.7 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 47% | 0.469 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -66.9 | -25.4 | 179.8 | -50.8 | 0 | 0 | 0 | 0 | 113.6 | E170 | E170-S172 PolarHBondContact O-N 2.93Å; E170-S172 VanDerWaalsContact O-N 3.09Å |
| 173 | G | 72.5 | Confident | 79.1 | Confident | 55 Ų | 55 | 76.3 Ų | 76.3 | 57% | 0.567 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -91.9 | -1.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E170 K171 | E170-G173 PolarHBondContact O-N 2.96Å; K171-G173 VanDerWaalsContact C-N 3.27Å; K171-G173 PolarHBondContact O-N 3.42Å |
| 174 | L | 77.3 | Confident | 78.7 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 19% | 0.188 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -115.7 | 127.5 | -173.7 | -64.8 | 171.5 | 0 | 0 | 0 | 110.6 | L168 K171 L176 W391 C396 | L168-L174 WeakPolarHBondContact O-CD1 3.33Å; K171-L174 PolarHBondContact O-N 3.17Å; L174-L176 HydrophobicContact CB-CD2 4.18Å; L174-L176 HydrophobicContact CB-CG 4.04Å; L174-L176 HydrophobicContact CD1-CD2 4.3Å; L174-L176 PolarHBondContact O-N 2.92Å; L174-W391 HydrophobicContact CD2-CH2 4.28Å; L174-W391 HydrophobicContact CD2-CZ3 4.44Å; L174-C396 HydrophobicContact CD1-CB 3.61Å |
| 175 | N | 83.2 | Confident | 78.2 | Confident | 85 Ų | 85 | 73.5 Ų | 73.5 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | trans | -75.5 | 66.5 | 168.6 | -178.4 | 11.7 | 0 | 0 | 0 | 110.3 | Q177 S178 Q179 K392 | N175-Q177 VanDerWaalsContact C-N 3.29Å; N175-Q177 PolarHBondContact O-N 3.21Å; N175-S178 PolarHBondContact O-N 3.31Å; N175-S178 PolarHBondContact OD1-N 2.94Å; N175-Q179 PolarHBondContact ND2-N 3.13Å; N175-Q179 PolarHBondContact ND2-O 3.07Å; N175-Q179 PolarHBondContact OD1-N 3.31Å; N175-K392 WeakPolarHBondContact O-CE 3.4Å; N175-K392 PolarHBondContact O-NZ 3.32Å | ||
| 176 | L | 77.9 | Confident | 78 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 23% | 0.225 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -42 | -174.5 | -72 | 173.4 | 0 | 0 | 0 | 112.3 | K171 L174 S178 F338 | K171-L176 HydrophobicContact CB-CD1 4.05Å; K171-L176 HydrophobicContact CD-CD1 4.33Å; K171-L176 HydrophobicContact CG-CD1 4.01Å; L174-L176 HydrophobicContact CB-CD2 4.18Å; L174-L176 HydrophobicContact CB-CG 4.04Å; L174-L176 HydrophobicContact CD1-CD2 4.3Å; L174-L176 PolarHBondContact O-N 2.92Å; L176-S178 PolarHBondContact O-N 2.96Å; L176-F338 WeakPolarHBondContact O-CD2 3.15Å; L176-F338 WeakPolarHBondContact O-CE2 3.49Å |
| 177 | Q | 75 | Confident | 77.8 | Confident | 120 Ų | 120 | 79.3 Ų | 79.3 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -5.6 | -179.9 | -64.4 | -178.9 | 11.8 | 0 | 0 | 113.6 | N175 Q179 | N175-Q177 VanDerWaalsContact C-N 3.29Å; N175-Q177 PolarHBondContact O-N 3.21Å; Q177-Q179 HydrophobicContact CB-CG 4.01Å; Q177-Q179 PolarHBondContact O-N 3.38Å |
| 178 | S | 80.8 | Confident | 78 | Confident | 25 Ų | 25 | 77.3 Ų | 77.3 | 18% | 0.175 | 42% | 0.419 | C | S | . | . | trans | 54.3 | 39.6 | -177.8 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | N175 L176 K392 | N175-S178 PolarHBondContact O-N 3.31Å; N175-S178 PolarHBondContact OD1-N 2.94Å; L176-S178 PolarHBondContact O-N 2.96Å; S178-K392 WeakPolarHBondContact OG-CE 3.25Å; S178-K392 PolarHBondContact OG-NZ 3.4Å | ||
| 179 | Q | 82.1 | Confident | 78.2 | Confident | 126 Ų | 126 | 73.4 Ų | 73.4 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | trans | -69.8 | 140 | 177.1 | -66.7 | -175.8 | -6.6 | 0 | 0 | 110.7 | N175 Q177 | N175-Q179 PolarHBondContact ND2-N 3.13Å; N175-Q179 PolarHBondContact ND2-O 3.07Å; N175-Q179 PolarHBondContact OD1-N 3.31Å; Q177-Q179 HydrophobicContact CB-CG 4.01Å; Q177-Q179 PolarHBondContact O-N 3.38Å | ||
| 180 | F | 85.7 | Confident | 78.3 | Confident | 77 Ų | 77 | 76.9 Ų | 76.9 | 34% | 0.338 | 41% | 0.408 | S | S | . | . | trans | -83.2 | 141.4 | 175.5 | -63.7 | -73.5 | 0 | 0 | 0 | 110.9 | L182 P247 V248 Y331 | F180-L182 HydrophobicContact CB-CD2 4.21Å; F180-L182 PolarHBondContact O-N 3.15Å; F180-P247 HydrophobicContact CD1-CG 4.04Å; F180-P247 HydrophobicContact CD2-CG 4.24Å; F180-P247 HydrophobicContact CE1-CG 3.47Å; F180-P247 VanDerWaalsContact CE1-CG 3.47Å; F180-P247 HydrophobicContact CE2-CG 3.7Å; F180-P247 HydrophobicContact CG-CG 4.41Å; F180-P247 HydrophobicContact CZ-CG 3.29Å; F180-V248 HydrophobicContact CD2-CG2 4.28Å; F180-V248 HydrophobicContact CE2-CG2 3.95Å; F180-Y331 HydrophobicContact CE2-CE2 4.49Å; F180-Y331 AromaticContact CE2-CZ 3.99Å; F180-Y331 HydrophobicContact CZ-CD2 4.32Å; F180-Y331 AromaticContact CZ-CE1 3.99Å; F180-Y331 HydrophobicContact CZ-CE1 3.99Å; F180-Y331 AromaticContact CZ-CE2 3.65Å; F180-Y331 HydrophobicContact CZ-CE2 3.65Å; F180-Y331 AromaticContact CZ-CZ 3.45Å; F180-Y331 VanDerWaalsContact CZ-CZ 3.45Å | ||
| 181 | N | 83 | Confident | 77.9 | Confident | 108 Ų | 108 | 79.7 Ų | 79.7 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | trans | -77.8 | 91.3 | 172.3 | -178.5 | 7.5 | 0 | 0 | 0 | 109.8 | D183 | N181-D183 VanDerWaalsContact C-N 3.27Å; N181-D183 PolarHBondContact O-N 3.49Å; N181-D183 PolarHBondContact OD1-N 3.4Å; N181-D183 VanDerWaalsContact OD1-N 3.12Å | ||
| 182 | L | 83.9 | Confident | 77.2 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -9.6 | 178.4 | -59.1 | 179.7 | 0 | 0 | 0 | 112.5 | F180 N184 R245 N246 | F180-L182 HydrophobicContact CB-CD2 4.21Å; F180-L182 PolarHBondContact O-N 3.15Å; L182-N184 VanDerWaalsContact C-N 3.29Å; L182-N184 PolarHBondContact O-N 3.27Å; L182-R245 HydrophobicContact CD2-CG 4.45Å; L182-R245 PolarHBondContact O-NE 2.93Å; L182-R245 PolarHBondContact O-NH2 2.94Å; L182-N246 HydrophobicContact CD2-CB 3.96Å |
| 183 | D | 75.4 | Confident | 76.5 | Confident | 130 Ų | 130 | 83.4 Ų | 83.4 | 70% | 0.695 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -16 | -177 | -63.9 | -22.2 | 0 | 0 | 0 | 113.4 | N181 I185 | N181-D183 VanDerWaalsContact C-N 3.27Å; N181-D183 PolarHBondContact O-N 3.49Å; N181-D183 PolarHBondContact OD1-N 3.4Å; N181-D183 VanDerWaalsContact OD1-N 3.12Å; D183-I185 VanDerWaalsContact C-N 3.32Å; D183-I185 PolarHBondContact O-N 3.33Å |
| 184 | N | 77.7 | Confident | 75.8 | Confident | 83 Ų | 83 | 86.7 Ų | 86.7 | 44% | 0.444 | 44% | 0.437 | S | S | . | . | trans | -83.7 | 72.5 | -179.3 | -167.7 | 25.9 | 0 | 0 | 0 | 112.1 | L182 R245 K300 | L182-N184 VanDerWaalsContact C-N 3.29Å; L182-N184 PolarHBondContact O-N 3.27Å; N184-R245 WeakPolarHBondContact O-CD 3.41Å; N184-K300 PolarHBondContact OD1-NZ 2.88Å | ||
| 185 | I | 77.6 | Confident | 74.9 | Confident | 84 Ų | 84 | 85.6 Ų | 85.6 | 43% | 0.431 | 43% | 0.432 | S | S | . | . | trans | -77.5 | 132.3 | -179.9 | -42.6 | -160.1 | 0 | 0 | 0 | 110.2 | D183 V187 | D183-I185 VanDerWaalsContact C-N 3.32Å; D183-I185 PolarHBondContact O-N 3.33Å; I185-V187 PolarHBondContact O-N 3.21Å | ||
| 186 | T | 80.6 | Confident | 73.9 | Confident | 25 Ų | 25 | 84.3 Ų | 84.3 | 15% | 0.153 | 43% | 0.428 | C | S | . | . | trans | -84.5 | 107.7 | 167.2 | -59.1 | 0 | 0 | 0 | 0 | 107.3 | F188 W238 Q241 T303 | T186-F188 WeakPolarHBondContact O-CD1 3.39Å; T186-W238 HydrophobicContact CG2-CE3 3.77Å; T186-W238 HydrophobicContact CG2-CZ3 3.97Å; T186-Q241 HydrophobicContact CG2-CG 4.12Å; T186-Q241 VanDerWaalsContact OG1-CG 3.3Å; T186-Q241 WeakPolarHBondContact OG1-CG 3.48Å; T186-T303 HydrophobicContact CG2-CG2 3.42Å; T186-T303 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 187 | V | 79 | Confident | 73 | Confident | 114 Ų | 114 | 84.3 Ų | 84.3 | 69% | 0.691 | 43% | 0.428 | S | S | * | . | trans | -84.7 | 122.4 | -179 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | I185 T303 | I185-V187 PolarHBondContact O-N 3.21Å; V187-T303 VanDerWaalsContact O-CB 3.23Å; V187-T303 WeakPolarHBondContact O-CB 3.4Å; V187-T303 WeakPolarHBondContact O-CG2 3.48Å; V187-T303 PolarHBondContact O-OG1 3.22Å | ||
| 188 | F | 80.9 | Confident | 71.9 | Confident | 18 Ų | 18 | 82.4 Ų | 82.4 | 8% | 0.079 | 44% | 0.44 | C | S | . | . | trans | -139.4 | 158.7 | 178.9 | 66.9 | -87.8 | 0 | 0 | 0 | 109.7 | T186 K190 Y234 W238 T303 | T186-F188 WeakPolarHBondContact O-CD1 3.39Å; F188-K190 HydrophobicContact CD2-CG 4.08Å; F188-K190 HydrophobicContact CE2-CD 4.45Å; F188-K190 HydrophobicContact CE2-CG 3.67Å; F188-K190 HydrophobicContact CZ-CD 4.35Å; F188-K190 HydrophobicContact CZ-CG 4.05Å; F188-K190 PolarHBondContact O-N 3.29Å; F188-Y234 HydrophobicContact CD2-CE1 4.42Å; F188-W238 HydrophobicContact CB-CB 3.95Å; F188-W238 HydrophobicContact CB-CG 4.01Å; F188-W238 HydrophobicContact CD1-CB 3.63Å; F188-W238 HydrophobicContact CD2-CB 3.62Å; F188-W238 HydrophobicContact CD2-CG 4.37Å; F188-W238 HydrophobicContact CE1-CB 3.92Å; F188-W238 HydrophobicContact CE2-CB 3.91Å; F188-W238 HydrophobicContact CG-CB 3.47Å; F188-W238 VanDerWaalsContact CG-CB 3.47Å; F188-W238 HydrophobicContact CG-CG 4.08Å; F188-W238 HydrophobicContact CZ-CB 4.04Å; F188-T303 HydrophobicContact CB-CG2 4.21Å | ||
| 189 | N | 76.4 | Confident | 70.3 | Confident | 34 Ų | 34 | 88.1 Ų | 88.1 | 18% | 0.182 | 46% | 0.464 | C | S | . | . | trans | -66.2 | 123 | 178.4 | -166.9 | -0.7 | 0 | 0 | 0 | 111.1 | N191 E194 Y234 E305 | N189-N191 PolarHBondContact OD1-N 3.33Å; N189-N191 PolarHBondContact OD1-O 3.5Å; N189-E194 PolarHBondContact ND2-O 3.44Å; N189-Y234 HydrophobicContact CB-CE1 4.27Å; N189-Y234 PolarHBondContact N-OH 3.02Å; N189-E305 VanDerWaalsContact CB-OE1 3.24Å; N189-E305 WeakPolarHBondContact CB-OE1 3.42Å; N189-E305 PolarHBondContact ND2-OE1 3.43Å | ||
| 190 | K | 71.9 | Confident | 68.1 | Low | 121 Ų | 121 | 91.2 Ų | 91.2 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | trans | -106.6 | -9.2 | 177.8 | -67.8 | 179.9 | 179 | -175.3 | 0 | 112.3 | F188 Y231 | F188-K190 HydrophobicContact CD2-CG 4.08Å; F188-K190 HydrophobicContact CE2-CD 4.45Å; F188-K190 HydrophobicContact CE2-CG 3.67Å; F188-K190 HydrophobicContact CZ-CD 4.35Å; F188-K190 HydrophobicContact CZ-CG 4.05Å; F188-K190 PolarHBondContact O-N 3.29Å; K190-Y231 PolarHBondContact O-OH 3.38Å; K190-Y231 VanDerWaalsContact O-OH 3.1Å | ||
| 191 | N | 68.9 | Low | 65.8 | Low | 86 Ų | 86 | 96.4 Ų | 96.4 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | trans | -95.7 | 114 | -175 | -65.1 | -19.6 | 0 | 0 | 0 | 110.9 | N189 Q193 E194 Y231 | N189-N191 PolarHBondContact OD1-N 3.33Å; N189-N191 PolarHBondContact OD1-O 3.5Å; N191-Q193 PolarHBondContact O-N 3.48Å; N191-E194 HydrophobicContact CB-CB 4.26Å; N191-E194 HydrophobicContact CB-CG 4.36Å; N191-E194 PolarHBondContact ND2-OE2 2.75Å; N191-E194 PolarHBondContact O-N 3.41Å; N191-Y231 PolarHBondContact N-OH 3.22Å; N191-Y231 PolarHBondContact O-OH 2.98Å | ||
| 192 | E | 60.5 | Low | 63.1 | Low | 115 Ų | 115 | 97.7 Ų | 97.7 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -60.5 | -26.4 | 175.1 | -77.9 | 171.2 | -163 | 0 | 0 | 112.8 | Y231 R235 | E192-Y231 HydrophobicContact CB-CE1 4.17Å; E192-Y231 HydrophobicContact CG-CD1 3.66Å; E192-Y231 HydrophobicContact CG-CE1 3.17Å; E192-Y231 PolarHBondContact N-OH 3.16Å; E192-R235 IonicContact OE1-NH1 3.26Å; E192-R235 PolarHBondContact OE1-NH1 2.94Å |
| 193 | Q | 55.3 | Low | 60.9 | Low | 191 Ų | 191 | 101.3 Ų | 101.3 | 89% | 0.893 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -79.2 | -21.5 | -177.3 | -65.8 | 179.5 | -13.1 | 0 | 0 | 113.8 | N191 | N191-Q193 PolarHBondContact O-N 3.48Š|
| 194 | E | 58.5 | Low | 58.7 | Low | 125 Ų | 125 | 104.1 Ų | 104.1 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -101 | 11.8 | 177.9 | -67.4 | 175.1 | 152.9 | 0 | 0 | 111.5 | N189 N191 T196 | N189-E194 PolarHBondContact ND2-O 3.44Å; N191-E194 HydrophobicContact CB-CB 4.26Å; N191-E194 HydrophobicContact CB-CG 4.36Å; N191-E194 PolarHBondContact ND2-OE2 2.75Å; N191-E194 PolarHBondContact O-N 3.41Å; E194-T196 PolarHBondContact O-N 2.65Å |
| 195 | S | 58.2 | Low | 56.9 | Low | 12 Ų | 12 | 110.1 Ų | 110.1 | 8% | 0.084 | 56% | 0.564 | C | S | . | * | trans | -68.3 | 133.2 | -177.8 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | L197 Y231 E305 | S195-L197 VanDerWaalsContact C-N 3.34Å; S195-L197 PolarHBondContact OG-N 2.63Å; S195-Y231 VanDerWaalsContact OG-CD2 3.28Å; S195-Y231 WeakPolarHBondContact OG-CD2 3.44Å; S195-E305 WeakPolarHBondContact CA-OE2 3.41Å; S195-E305 PolarHBondContact OG-OE2 2.61Å | ||
| 196 | T | 61.7 | Low | 54.5 | Low | 59 Ų | 59 | 115 Ų | 115 | 36% | 0.362 | 59% | 0.585 | S | S | . | * | trans | -87.7 | -6.1 | 175.1 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | E194 E305 | E194-T196 PolarHBondContact O-N 2.65Å; T196-E305 PolarHBondContact N-OE2 2.72Å; T196-E305 PolarHBondContact OG1-OE2 2.68Å | ||
| 197 | L | 59.7 | Low | 52.3 | Low | 43 Ų | 43 | 122 Ų | 122 | 23% | 0.225 | 62% | 0.621 | C | S | . | * | S | Bend | trans | -84.6 | 114.4 | 178.1 | -70.3 | 162.4 | 0 | 0 | 0 | 109.9 | S195 I229 E305 | S195-L197 VanDerWaalsContact C-N 3.34Å; S195-L197 PolarHBondContact OG-N 2.63Å; L197-I229 HydrophobicContact CD1-CG2 4.19Å; L197-E305 HydrophobicContact CD1-CB 3.8Å; L197-E305 HydrophobicContact CD1-CG 4.17Å; L197-E305 HydrophobicContact CG-CB 3.9Å |
| 198 | G | 52.3 | Low | 49.8 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 83% | 0.825 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 95.4 | 0.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | K200 | G198-K200 PolarHBondContact O-N 2.93Š|
| 199 | Q | 46.2 | Very low | 47.4 | Very low | 144 Ų | 144 | 131 Ų | 131 | 67% | 0.673 | 67% | 0.667 | S | S | * | * | trans | -74.2 | 106.9 | 168.2 | -74.9 | -179.3 | -15.7 | 0 | 0 | 109.8 | Q201 | Q199-Q201 PolarHBondContact O-N 3.01Š| ||
| 200 | K | 37.9 | Very low | 45 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 84% | 0.835 | 70% | 0.702 | S | S | * | * | trans | -61 | 131.3 | 157.9 | -80.1 | -177.9 | 175.3 | 179.8 | 0 | 107.2 | G198 T202 | G198-K200 PolarHBondContact O-N 2.93Å; K200-T202 PolarHBondContact O-N 3.1Å | ||
| 201 | Q | 35.8 | Very low | 43.1 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | trans | -44.4 | 111 | 170 | -73.8 | 173.7 | -11.8 | 0 | 0 | 109.8 | Q199 | Q199-Q201 PolarHBondContact O-N 3.01Š| ||
| 202 | T | 26.1 | Very low | 41.3 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | -113.9 | 107.9 | 148.7 | 34.1 | 0 | 0 | 0 | 0 | 105 | K200 E204 | K200-T202 PolarHBondContact O-N 3.1Å; T202-E204 PolarHBondContact O-N 2.9Å; T202-E204 VanDerWaalsContact O-N 3.13Å | ||
| 203 | D | 37.9 | Very low | 39.9 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | -50.5 | 108 | 174 | -68.9 | -52 | 0 | 0 | 0 | 110.8 | ||||
| 204 | E | 30.6 | Very low | 38.7 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -138.5 | 111.7 | 148.6 | -70.8 | -164.9 | 160.2 | 0 | 0 | 108.4 | T202 E206 | T202-E204 PolarHBondContact O-N 2.9Å; T202-E204 VanDerWaalsContact O-N 3.13Å; E204-E206 PolarHBondContact O-N 2.89Å | ||
| 205 | K | 39.4 | Very low | 37.4 | Very low | 210 Ų | 210 | 145.6 Ų | 145.6 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | trans | -64.8 | 121.8 | 173.7 | -72.9 | 176 | 171.5 | -177.5 | 0 | 109.4 | ||||
| 206 | E | 27.7 | Very low | 36.2 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -131.6 | 122.2 | 153.8 | -90 | -168.6 | 155.1 | 0 | 0 | 110.7 | E204 T208 | E204-E206 PolarHBondContact O-N 2.89Å; E206-T208 PolarHBondContact O-N 3.28Å | ||
| 207 | D | 33.4 | Very low | 34.7 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | -55.4 | 110.9 | -175.5 | -74.8 | -44.7 | 0 | 0 | 0 | 112.5 | ||||
| 208 | T | 27.6 | Very low | 33.5 | Very low | 133 Ų | 133 | 161.8 Ų | 161.8 | 82% | 0.816 | 85% | 0.853 | S | S | * | * | trans | -136.7 | 123.4 | 155.8 | -26.3 | 0 | 0 | 0 | 0 | 108.6 | E206 E210 | E206-T208 PolarHBondContact O-N 3.28Å; T208-E210 PolarHBondContact O-N 3.3Å | ||
| 209 | M | 29.7 | Very low | 32.5 | Very low | 189 Ų | 189 | 165.4 Ų | 165.4 | 93% | 0.931 | 85% | 0.853 | S | S | * | * | trans | -35.7 | 115.6 | -171.4 | -75.3 | 172.2 | 169.3 | 0 | 0 | 114.8 | V211 | M209-V211 PolarHBondContact O-N 3.16Š| ||
| 210 | E | 26.4 | Very low | 31.8 | Very low | 193 Ų | 193 | 166 Ų | 166 | 90% | 0.902 | 86% | 0.861 | S | S | * | * | trans | -62.6 | 120.6 | 169.3 | -66.7 | 174.7 | 167.3 | 0 | 0 | 109.9 | T208 | T208-E210 PolarHBondContact O-N 3.3Š| ||
| 211 | V | 32.3 | Very low | 31.6 | Very low | 135 Ų | 135 | 161.6 Ų | 161.6 | 82% | 0.818 | 86% | 0.861 | S | S | * | * | trans | -85 | 114.3 | 157.6 | -178.3 | 0 | 0 | 0 | 0 | 105 | M209 E213 | M209-V211 PolarHBondContact O-N 3.16Å; V211-E213 PolarHBondContact O-N 2.78Å | ||
| 212 | E | 29.4 | Very low | 31.5 | Very low | 193 Ų | 193 | 158.3 Ų | 158.3 | 90% | 0.902 | 86% | 0.856 | S | S | * | * | trans | -38.8 | 100.4 | 176.7 | -99.4 | 177.5 | 147.1 | 0 | 0 | 111.9 | ||||
| 213 | E | 32.9 | Very low | 31.9 | Very low | 186 Ų | 186 | 155.8 Ų | 155.8 | 87% | 0.869 | 85% | 0.848 | S | S | * | * | trans | -75.8 | 114.6 | 156.8 | -77.8 | -171.2 | 155.7 | 0 | 0 | 106.6 | V211 E215 | V211-E213 PolarHBondContact O-N 2.78Å; E213-E215 PolarHBondContact O-N 3.25Å | ||
| 214 | G | 29.4 | Very low | 31.8 | Very low | 72 Ų | 72 | 154.9 Ų | 154.9 | 74% | 0.742 | 85% | 0.85 | S | S | * | * | trans | -59.2 | 121 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | M216 | G214-M216 PolarHBondContact O-N 2.89Å; G214-M216 VanDerWaalsContact O-N 3.09Å | ||
| 215 | E | 31.7 | Very low | 32.2 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 93% | 0.93 | 84% | 0.838 | S | S | * | * | trans | -51.6 | 109.4 | 170.6 | -73.8 | 178.7 | 146.5 | 0 | 0 | 110.7 | E213 | E213-E215 PolarHBondContact O-N 3.25Š| ||
| 216 | M | 32 | Very low | 32.6 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | trans | -91.7 | 123.3 | 154.2 | -81.8 | -91.1 | -136.6 | 0 | 0 | 106.7 | G214 | G214-M216 PolarHBondContact O-N 2.89Å; G214-M216 VanDerWaalsContact O-N 3.09Å | ||
| 217 | G | 31.1 | Very low | 33.7 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -48 | 137 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | D219 | G217-D219 PolarHBondContact O-N 3.2Å; G217-D219 VanDerWaalsContact O-N 3.09Å | ||
| 218 | E | 33.5 | Very low | 34.8 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -57.7 | 100.7 | 162.4 | -65.1 | 178.4 | 142.3 | 0 | 0 | 109.4 | ||
| 219 | D | 32.7 | Very low | 36.5 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | -176.7 | 90.2 | 149.8 | -93.2 | -22.5 | 0 | 0 | 0 | 109.3 | G217 | G217-D219 PolarHBondContact O-N 3.2Å; G217-D219 VanDerWaalsContact O-N 3.09Å | ||
| 220 | D | 31.4 | Very low | 38.4 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | trans | 138.7 | 88.4 | 157.4 | -84.1 | -23.5 | 0 | 0 | 0 | 109.8 | P222 | D220-P222 VanDerWaalsContact O-CD 3.32Å; D220-P222 WeakPolarHBondContact O-CD 3.33Å | ||
| 221 | A | 31.9 | Very low | 40.9 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 119.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | A223 | A221-A223 PolarHBondContact O-N 3.09Š|
| 222 | P | 34.8 | Very low | 43.2 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 134.1 | 172 | -14.6 | 27.8 | 0 | 0 | 0 | 107.9 | D220 | D220-P222 VanDerWaalsContact O-CD 3.32Å; D220-P222 WeakPolarHBondContact O-CD 3.33Å |
| 223 | A | 34 | Very low | 45.8 | Very low | 81 Ų | 81 | 106.9 Ų | 106.9 | 67% | 0.669 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -46 | 134 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A221 C225 | A221-A223 PolarHBondContact O-N 3.09Å; A223-C225 PolarHBondContact O-N 3.11Å |
| 224 | P | 35.4 | Very low | 48.3 | Very low | 131 Ų | 131 | 98.1 Ų | 98.1 | 85% | 0.851 | 60% | 0.601 | S | S | * | * | trans | -63.1 | 106.7 | -178.1 | 24 | -31.6 | 0 | 0 | 0 | 109.1 | S226 | P224-S226 PolarHBondContact O-N 3.35Š| ||
| 225 | C | 40.3 | Very low | 51 | Low | 93 Ų | 93 | 100 Ų | 100 | 63% | 0.628 | 59% | 0.586 | S | S | * | * | trans | -61.9 | 135 | 172.5 | -82.2 | 0 | 0 | 0 | 0 | 109.7 | A223 I227 | A223-C225 PolarHBondContact O-N 3.11Å; C225-I227 PolarHBondContact O-N 3.16Å; C225-I227 VanDerWaalsContact O-N 3.08Å | ||
| 226 | S | 46.1 | Very low | 53.7 | Low | 112 Ų | 112 | 92.6 Ų | 92.6 | 78% | 0.783 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -86.6 | 51.6 | -160.8 | 61 | 0 | 0 | 0 | 0 | 114.4 | P224 | P224-S226 PolarHBondContact O-N 3.35Š|
| 227 | I | 51.5 | Low | 56.4 | Low | 47 Ų | 47 | 84.1 Ų | 84.1 | 24% | 0.241 | 51% | 0.509 | C | S | . | . | trans | -130.2 | 119.8 | 169.9 | -55.6 | 166.4 | 0 | 0 | 0 | 108.7 | C225 I229 F273 | C225-I227 PolarHBondContact O-N 3.16Å; C225-I227 VanDerWaalsContact O-N 3.08Å; I227-I229 VanDerWaalsContact C-N 3.32Å; I227-I229 HydrophobicContact CB-CG1 4.45Å; I227-I229 HydrophobicContact CG2-CG1 4.02Å; I227-I229 PolarHBondContact O-N 3.25Å; I227-F273 HydrophobicContact CD1-CD2 3.48Å; I227-F273 VanDerWaalsContact CD1-CD2 3.48Å; I227-F273 HydrophobicContact CD1-CE2 3.58Å; I227-F273 HydrophobicContact CD1-CG 4.35Å; I227-F273 HydrophobicContact CD1-CZ 4.49Å; I227-F273 HydrophobicContact CG1-CD2 4.31Å; I227-F273 HydrophobicContact CG1-CE2 4.3Å | ||
| 228 | P | 56.9 | Low | 59.2 | Low | 125 Ų | 125 | 80.6 Ų | 80.6 | 81% | 0.812 | 47% | 0.472 | S | S | * | . | trans | -71.3 | 95.6 | 160.3 | 29 | -28.5 | 0 | 0 | 0 | 107.1 | D230 | P228-D230 PolarHBondContact O-N 2.83Š| ||
| 229 | I | 63.3 | Low | 61.9 | Low | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.072 | 44% | 0.439 | C | S | . | . | trans | -66 | 109.6 | 172.2 | -67.5 | -170.6 | 0 | 0 | 0 | 108.1 | L197 I227 M308 D309 L312 | L197-I229 HydrophobicContact CD1-CG2 4.19Å; I227-I229 VanDerWaalsContact C-N 3.32Å; I227-I229 HydrophobicContact CB-CG1 4.45Å; I227-I229 HydrophobicContact CG2-CG1 4.02Å; I227-I229 PolarHBondContact O-N 3.25Å; I229-M308 HydrophobicContact CD1-CB 3.64Å; I229-M308 HydrophobicContact CD1-CG 3.65Å; I229-M308 HydrophobicContact CG2-CB 4.33Å; I229-M308 HydrophobicContact CG2-CG 4.2Å; I229-D309 HydrophobicContact CD1-CB 3.9Å; I229-D309 WeakPolarHBondContact CD1-OD1 3.44Å; I229-D309 WeakPolarHBondContact CD1-OD2 3.26Å; I229-D309 WeakPolarHBondContact CG1-OD1 3.31Å; I229-L312 HydrophobicContact CD1-CD1 4.04Å | ||
| 230 | D | 70 | Confident | 64.7 | Low | 84 Ų | 84 | 65.8 Ų | 65.8 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | trans | -75 | 137.1 | 170.9 | -173.4 | -3.6 | 0 | 0 | 0 | 109.1 | P228 N232 L233 Y234 | P228-D230 PolarHBondContact O-N 2.83Å; D230-N232 PolarHBondContact O-N 3.18Å; D230-N232 VanDerWaalsContact O-N 3.09Å; D230-N232 PolarHBondContact OD1-N 3.31Å; D230-N232 VanDerWaalsContact OD1-N 3.1Å; D230-N232 PolarHBondContact OD1-ND2 3.43Å; D230-N232 WeakPolarHBondContact OD2-CB 3.49Å; D230-N232 PolarHBondContact OD2-ND2 3.08Å; D230-L233 WeakPolarHBondContact O-CB 3.41Å; D230-L233 PolarHBondContact O-N 3.41Å; D230-Y234 PolarHBondContact O-N 3.05Å | ||
| 231 | Y | 77.4 | Confident | 67.5 | Low | 18 Ų | 18 | 59.1 Ų | 59.1 | 7% | 0.071 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -50.6 | -32.2 | 170.5 | 177.1 | -93.3 | 0 | 0 | 0 | 111.8 | K190 N191 E192 S195 L233 Y234 R235 | K190-Y231 PolarHBondContact O-OH 3.38Å; K190-Y231 VanDerWaalsContact O-OH 3.1Å; N191-Y231 PolarHBondContact N-OH 3.22Å; N191-Y231 PolarHBondContact O-OH 2.98Å; E192-Y231 HydrophobicContact CB-CE1 4.17Å; E192-Y231 HydrophobicContact CG-CD1 3.66Å; E192-Y231 HydrophobicContact CG-CE1 3.17Å; E192-Y231 PolarHBondContact N-OH 3.16Å; S195-Y231 VanDerWaalsContact OG-CD2 3.28Å; S195-Y231 WeakPolarHBondContact OG-CD2 3.44Å; Y231-L233 VanDerWaalsContact C-N 3.35Å; Y231-L233 PolarHBondContact O-N 3.09Å; Y231-Y234 HydrophobicContact CD2-CD1 4.32Å; Y231-Y234 HydrophobicContact CE2-CD1 4.31Å; Y231-Y234 HydrophobicContact CE2-CE1 4.49Å; Y231-Y234 PolarHBondContact O-N 2.7Å; Y231-R235 HydrophobicContact CE1-CB 4.26Å; Y231-R235 WeakPolarHBondContact O-CB 3.39Å; Y231-R235 PolarHBondContact O-N 3.45Å |
| 232 | N | 82.4 | Confident | 70.2 | Confident | 71 Ų | 71 | 56 Ų | 56 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 174.3 | -70.7 | -53.8 | 0 | 0 | 0 | 113.4 | D230 K236 | D230-N232 PolarHBondContact O-N 3.18Å; D230-N232 VanDerWaalsContact O-N 3.09Å; D230-N232 PolarHBondContact OD1-N 3.31Å; D230-N232 VanDerWaalsContact OD1-N 3.1Å; D230-N232 PolarHBondContact OD1-ND2 3.43Å; D230-N232 WeakPolarHBondContact OD2-CB 3.49Å; D230-N232 PolarHBondContact OD2-ND2 3.08Å; N232-K236 WeakPolarHBondContact O-CB 3.49Å; N232-K236 WeakPolarHBondContact O-CG 3.33Å; N232-K236 PolarHBondContact O-N 3.17Å |
| 233 | L | 83 | Confident | 72.9 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.7 | -46.8 | 177.8 | 177.7 | 63.3 | 0 | 0 | 0 | 110.3 | D230 Y231 R235 K236 F237 V269 | D230-L233 WeakPolarHBondContact O-CB 3.41Å; D230-L233 PolarHBondContact O-N 3.41Å; Y231-L233 VanDerWaalsContact C-N 3.35Å; Y231-L233 PolarHBondContact O-N 3.09Å; L233-R235 PolarHBondContact O-N 2.94Å; L233-K236 PolarHBondContact O-N 3.07Å; L233-F237 WeakPolarHBondContact O-CB 3.27Å; L233-F237 PolarHBondContact O-N 3.35Å; L233-V269 HydrophobicContact CD1-CG2 3.94Å; L233-V269 HydrophobicContact CD2-CG1 4.45Å; L233-V269 HydrophobicContact CD2-CG2 4.14Å |
| 234 | Y | 86 | Confident | 75.7 | Confident | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.8 | -47.9 | 177.1 | 166.3 | -90.3 | 0 | 0 | 0 | 111.6 | F188 N189 D230 Y231 F237 W238 T303 E305 | F188-Y234 HydrophobicContact CD2-CE1 4.42Å; N189-Y234 HydrophobicContact CB-CE1 4.27Å; N189-Y234 PolarHBondContact N-OH 3.02Å; D230-Y234 PolarHBondContact O-N 3.05Å; Y231-Y234 HydrophobicContact CD2-CD1 4.32Å; Y231-Y234 HydrophobicContact CE2-CD1 4.31Å; Y231-Y234 HydrophobicContact CE2-CE1 4.49Å; Y231-Y234 PolarHBondContact O-N 2.7Å; Y234-F237 PolarHBondContact O-N 3.16Å; Y234-W238 AromaticContact CD2-CD1 3.37Å; Y234-W238 AromaticContact CD2-NE1 3.24Å; Y234-W238 AromaticContact CE2-CD1 3.19Å; Y234-W238 HydrophobicContact CE2-CG 4.44Å; Y234-W238 AromaticContact CE2-NE1 3Å; Y234-W238 AromaticContact CG-CD1 3.86Å; Y234-W238 AromaticContact CZ-CD1 3.53Å; Y234-W238 AromaticContact CZ-NE1 3.79Å; Y234-W238 PolarHBondContact O-N 2.88Å; Y234-T303 WeakPolarHBondContact CE2-O 3.48Å; Y234-T303 PolarHBondContact OH-O 3.06Å; Y234-E305 HydrophobicContact CD1-CG 3.96Å; Y234-E305 HydrophobicContact CD2-CG 4.08Å; Y234-E305 HydrophobicContact CE1-CG 3.63Å; Y234-E305 HydrophobicContact CE2-CB 4.33Å; Y234-E305 HydrophobicContact CE2-CG 3.74Å; Y234-E305 HydrophobicContact CG-CG 4.18Å |
| 235 | R | 86.1 | Confident | 78.2 | Confident | 110 Ų | 110 | 45.9 Ų | 45.9 | 42% | 0.415 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 178.8 | -178.2 | -177.8 | 173 | -168.7 | 0.4 | 112 | E192 Y231 L233 F237 T239 | E192-R235 IonicContact OE1-NH1 3.26Å; E192-R235 PolarHBondContact OE1-NH1 2.94Å; Y231-R235 HydrophobicContact CE1-CB 4.26Å; Y231-R235 WeakPolarHBondContact O-CB 3.39Å; Y231-R235 PolarHBondContact O-N 3.45Å; L233-R235 PolarHBondContact O-N 2.94Å; R235-F237 VanDerWaalsContact C-N 3.34Å; R235-T239 WeakPolarHBondContact O-CB 3.35Å; R235-T239 PolarHBondContact O-N 3.08Å; R235-T239 PolarHBondContact O-OG1 3.07Å |
| 236 | K | 88 | Confident | 80.6 | Confident | 44 Ų | 44 | 43 Ų | 43 | 19% | 0.191 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 178.6 | -71.7 | 176.9 | -169.4 | 179.6 | 0 | 111.1 | N232 L233 T239 L240 F262 E265 | N232-K236 WeakPolarHBondContact O-CB 3.49Å; N232-K236 WeakPolarHBondContact O-CG 3.33Å; N232-K236 PolarHBondContact O-N 3.17Å; L233-K236 PolarHBondContact O-N 3.07Å; K236-T239 PolarHBondContact O-N 3.24Å; K236-L240 PolarHBondContact O-N 3.35Å; K236-F262 HydrophobicContact CB-CB 4.46Å; K236-F262 HydrophobicContact CB-CD1 4.08Å; K236-F262 HydrophobicContact CB-CD2 4.4Å; K236-F262 HydrophobicContact CB-CE1 4.44Å; K236-F262 HydrophobicContact CB-CG 4.07Å; K236-F262 HydrophobicContact CD-CD1 3.87Å; K236-F262 HydrophobicContact CD-CE1 3.99Å; K236-F262 HydrophobicContact CG-CD1 3.71Å; K236-F262 HydrophobicContact CG-CE1 3.68Å; K236-F262 HydrophobicContact CG-CG 4.18Å; K236-F262 HydrophobicContact CG-CZ 4.09Å; K236-E265 WeakPolarHBondContact CD-OE2 3.35Å; K236-E265 WeakPolarHBondContact CE-OE2 3.21Å; K236-E265 IonicContact NZ-OE1 2.84Å; K236-E265 PolarHBondContact NZ-OE1 3.29Å; K236-E265 IonicContact NZ-OE2 2.57Å; K236-E265 PolarHBondContact NZ-OE2 3.08Å |
| 237 | F | 89.1 | Confident | 82.7 | Confident | 9 Ų | 9 | 38 Ų | 38 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.4 | -52.8 | 178.1 | -179.2 | -90.3 | 0 | 0 | 0 | 112 | L233 Y234 R235 T239 L240 T266 F270 M308 F317 I321 | L233-F237 WeakPolarHBondContact O-CB 3.27Å; L233-F237 PolarHBondContact O-N 3.35Å; Y234-F237 PolarHBondContact O-N 3.16Å; R235-F237 VanDerWaalsContact C-N 3.34Å; F237-T239 VanDerWaalsContact C-N 3.29Å; F237-T239 PolarHBondContact O-N 3.46Å; F237-L240 VanDerWaalsContact O-CB 3.27Å; F237-L240 WeakPolarHBondContact O-CB 3.39Å; F237-L240 PolarHBondContact O-N 3.41Å; F237-L240 VanDerWaalsContact O-N 3.09Å; F237-T266 HydrophobicContact CD2-CG2 3.67Å; F237-T266 HydrophobicContact CE2-CG2 3.96Å; F237-F270 HydrophobicContact CE2-CZ 4.16Å; F237-M308 HydrophobicContact CB-CE 4.01Å; F237-M308 HydrophobicContact CD1-CE 3.63Å; F237-M308 HydrophobicContact CD1-SD 4.31Å; F237-M308 HydrophobicContact CD2-CE 3.88Å; F237-M308 HydrophobicContact CE1-CE 4.04Å; F237-M308 HydrophobicContact CE2-CE 4.25Å; F237-M308 HydrophobicContact CG-CE 3.54Å; F237-M308 HydrophobicContact CZ-CE 4.32Å; F237-F317 HydrophobicContact CE1-CE1 4.16Å; F237-F317 AromaticContact CE1-CZ 3.63Å; F237-F317 HydrophobicContact CE1-CZ 3.63Å; F237-F317 HydrophobicContact CE2-CE1 4.4Å; F237-F317 AromaticContact CZ-CE1 3.6Å; F237-F317 HydrophobicContact CZ-CE1 3.6Å; F237-F317 AromaticContact CZ-CZ 3.45Å; F237-F317 HydrophobicContact CZ-CZ 3.45Å; F237-F317 VanDerWaalsContact CZ-CZ 3.45Å; F237-I321 HydrophobicContact CE1-CD1 4.39Å; F237-I321 HydrophobicContact CE2-CD1 4.4Å; F237-I321 HydrophobicContact CE2-CG1 4.27Å; F237-I321 HydrophobicContact CE2-CG2 4.35Å; F237-I321 HydrophobicContact CZ-CD1 3.65Å; F237-I321 HydrophobicContact CZ-CG1 3.79Å |
| 238 | W | 89.9 | Confident | 84.4 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.7 | -23.1 | -179.2 | -68 | 113.9 | 0 | 0 | 0 | 113.5 | T186 F188 Y234 L240 Q241 F301 T303 F317 | T186-W238 HydrophobicContact CG2-CE3 3.77Å; T186-W238 HydrophobicContact CG2-CZ3 3.97Å; F188-W238 HydrophobicContact CB-CB 3.95Å; F188-W238 HydrophobicContact CB-CG 4.01Å; F188-W238 HydrophobicContact CD1-CB 3.63Å; F188-W238 HydrophobicContact CD2-CB 3.62Å; F188-W238 HydrophobicContact CD2-CG 4.37Å; F188-W238 HydrophobicContact CE1-CB 3.92Å; F188-W238 HydrophobicContact CE2-CB 3.91Å; F188-W238 HydrophobicContact CG-CB 3.47Å; F188-W238 VanDerWaalsContact CG-CB 3.47Å; F188-W238 HydrophobicContact CG-CG 4.08Å; F188-W238 HydrophobicContact CZ-CB 4.04Å; Y234-W238 AromaticContact CD2-CD1 3.37Å; Y234-W238 AromaticContact CD2-NE1 3.24Å; Y234-W238 AromaticContact CE2-CD1 3.19Å; Y234-W238 HydrophobicContact CE2-CG 4.44Å; Y234-W238 AromaticContact CE2-NE1 3Å; Y234-W238 AromaticContact CG-CD1 3.86Å; Y234-W238 AromaticContact CZ-CD1 3.53Å; Y234-W238 AromaticContact CZ-NE1 3.79Å; Y234-W238 PolarHBondContact O-N 2.88Å; W238-L240 VanDerWaalsContact C-N 3.26Å; W238-L240 PolarHBondContact O-N 3.48Å; W238-Q241 HydrophobicContact CE3-CB 4.43Å; W238-Q241 VanDerWaalsContact O-CB 3.27Å; W238-Q241 WeakPolarHBondContact O-CB 3.1Å; W238-Q241 PolarHBondContact O-N 2.69Å; W238-Q241 VanDerWaalsContact O-N 3.13Å; W238-F301 HydrophobicContact CH2-CB 3.71Å; W238-F301 HydrophobicContact CH2-CG 4.19Å; W238-F301 HydrophobicContact CZ3-CB 3.83Å; W238-F301 HydrophobicContact CZ3-CD2 4.11Å; W238-F301 HydrophobicContact CZ3-CG 4.11Å; W238-T303 HydrophobicContact CD2-CG2 4.04Å; W238-T303 HydrophobicContact CE3-CG2 3.95Å; W238-T303 HydrophobicContact CH2-CG2 4.03Å; W238-T303 HydrophobicContact CZ2-CG2 4.07Å; W238-T303 HydrophobicContact CZ3-CG2 3.95Å; W238-F317 HydrophobicContact CH2-CE2 4.21Å; W238-F317 HydrophobicContact CH2-CZ 4.19Å |
| 239 | T | 89.1 | Confident | 85.9 | Confident | 32 Ų | 32 | 36.5 Ų | 36.5 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.7 | -30.8 | 170.2 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | R235 K236 F237 Q241 D242 Y243 F262 | R235-T239 WeakPolarHBondContact O-CB 3.35Å; R235-T239 PolarHBondContact O-N 3.08Å; R235-T239 PolarHBondContact O-OG1 3.07Å; K236-T239 PolarHBondContact O-N 3.24Å; F237-T239 VanDerWaalsContact C-N 3.29Å; F237-T239 PolarHBondContact O-N 3.46Å; T239-Q241 PolarHBondContact O-N 3.5Å; T239-D242 PolarHBondContact O-N 2.83Å; T239-Y243 HydrophobicContact CG2-CE2 4.24Å; T239-Y243 WeakPolarHBondContact O-CD2 3.45Å; T239-F262 HydrophobicContact CG2-CD2 4.24Å; T239-F262 HydrophobicContact CG2-CE2 3.87Å |
| 240 | L | 91.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -32.1 | 171.9 | -69.7 | 166.6 | 0 | 0 | 0 | 112.6 | K236 F237 W238 D242 Y243 F244 F259 F262 S263 T266 Y325 | K236-L240 PolarHBondContact O-N 3.35Å; F237-L240 VanDerWaalsContact O-CB 3.27Å; F237-L240 WeakPolarHBondContact O-CB 3.39Å; F237-L240 PolarHBondContact O-N 3.41Å; F237-L240 VanDerWaalsContact O-N 3.09Å; W238-L240 VanDerWaalsContact C-N 3.26Å; W238-L240 PolarHBondContact O-N 3.48Å; L240-D242 PolarHBondContact O-N 3.18Å; L240-Y243 HydrophobicContact CD2-CD2 4.46Å; L240-Y243 WeakPolarHBondContact O-CB 3.47Å; L240-Y243 PolarHBondContact O-N 2.87Å; L240-F244 HydrophobicContact CB-CE2 4.07Å; L240-F244 VanDerWaalsContact O-CD2 3.26Å; L240-F244 WeakPolarHBondContact O-CD2 3.5Å; L240-F244 PolarHBondContact O-N 2.93Å; L240-F259 HydrophobicContact CD2-CD2 3.69Å; L240-F259 HydrophobicContact CD2-CE2 3.94Å; L240-F262 HydrophobicContact CD1-CB 4.2Å; L240-F262 HydrophobicContact CD2-CB 3.7Å; L240-F262 HydrophobicContact CG-CB 3.87Å; L240-S263 WeakPolarHBondContact CD2-OG 3.36Å; L240-T266 HydrophobicContact CD1-CG2 4.37Å; L240-T266 VanDerWaalsContact CD1-OG1 3.29Å; L240-T266 WeakPolarHBondContact CD1-OG1 3.25Å; L240-Y325 WeakPolarHBondContact CD1-OH 3.44Å |
| 241 | Q | 91.3 | Very high | 87.9 | Confident | 18 Ų | 18 | 33.8 Ų | 33.8 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -31.7 | 179.3 | -163.4 | 61.1 | 66.1 | 0 | 0 | 113 | T186 W238 T239 Y243 F244 R245 | T186-Q241 HydrophobicContact CG2-CG 4.12Å; T186-Q241 VanDerWaalsContact OG1-CG 3.3Å; T186-Q241 WeakPolarHBondContact OG1-CG 3.48Å; W238-Q241 HydrophobicContact CE3-CB 4.43Å; W238-Q241 VanDerWaalsContact O-CB 3.27Å; W238-Q241 WeakPolarHBondContact O-CB 3.1Å; W238-Q241 PolarHBondContact O-N 2.69Å; W238-Q241 VanDerWaalsContact O-N 3.13Å; T239-Q241 PolarHBondContact O-N 3.5Å; Q241-Y243 VanDerWaalsContact C-N 3.35Å; Q241-F244 PolarHBondContact O-N 3.03Å; Q241-R245 WeakPolarHBondContact O-CB 3.36Å; Q241-R245 PolarHBondContact O-N 3.13Å |
| 242 | D | 89 | Confident | 88.5 | Confident | 32 Ų | 32 | 36.9 Ų | 36.9 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.8 | -35.3 | 174.4 | -81.1 | -32.1 | 0 | 0 | 0 | 111.5 | T239 L240 R245 N246 | T239-D242 PolarHBondContact O-N 2.83Å; L240-D242 PolarHBondContact O-N 3.18Å; D242-R245 PolarHBondContact O-N 2.89Å; D242-R245 IonicContact OD1-NH1 2.74Å; D242-R245 PolarHBondContact OD1-NH1 2.99Å; D242-N246 PolarHBondContact O-N 3.18Å |
| 243 | Y | 91.1 | Very high | 88.8 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69 | -39 | 173.2 | -66.9 | -67.6 | 0 | 0 | 0 | 112.4 | T239 L240 Q241 R245 N246 Q249 F259 | T239-Y243 HydrophobicContact CG2-CE2 4.24Å; T239-Y243 WeakPolarHBondContact O-CD2 3.45Å; L240-Y243 HydrophobicContact CD2-CD2 4.46Å; L240-Y243 WeakPolarHBondContact O-CB 3.47Å; L240-Y243 PolarHBondContact O-N 2.87Å; Q241-Y243 VanDerWaalsContact C-N 3.35Å; Y243-R245 VanDerWaalsContact C-N 3.29Å; Y243-R245 PolarHBondContact O-N 3.25Å; Y243-N246 CarbonylContact O-C 3.57Å; Y243-N246 PolarHBondContact O-N 3.2Å; Y243-Q249 HydrophobicContact CD1-CB 4.13Å; Y243-Q249 HydrophobicContact CE1-CB 4.29Å; Y243-F259 HydrophobicContact CD2-CB 4.37Å; Y243-F259 HydrophobicContact CD2-CD2 4.04Å; Y243-F259 HydrophobicContact CE2-CB 4.4Å; Y243-F259 HydrophobicContact CG-CB 4.45Å; Y243-F259 AromaticContact CG-CD2 3.96Å; Y243-F259 HydrophobicContact CG-CD2 3.96Å |
| 244 | F | 91.8 | Very high | 89 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -34.2 | 173 | -66.3 | -53 | 0 | 0 | 0 | 112.5 | L240 Q241 Q324 Y325 L328 | L240-F244 HydrophobicContact CB-CE2 4.07Å; L240-F244 VanDerWaalsContact O-CD2 3.26Å; L240-F244 WeakPolarHBondContact O-CD2 3.5Å; L240-F244 PolarHBondContact O-N 2.93Å; Q241-F244 PolarHBondContact O-N 3.03Å; F244-Q324 HydrophobicContact CD1-CB 3.98Å; F244-Q324 HydrophobicContact CD2-CB 4.31Å; F244-Q324 VanDerWaalsContact CD2-OE1 3.24Å; F244-Q324 HydrophobicContact CE1-CB 4.11Å; F244-Q324 HydrophobicContact CE2-CB 4.43Å; F244-Q324 HydrophobicContact CG-CB 4.11Å; F244-Q324 HydrophobicContact CZ-CB 4.34Å; F244-Y325 AromaticContact CE1-CD1 3.93Å; F244-Y325 HydrophobicContact CE1-CD1 3.93Å; F244-Y325 HydrophobicContact CE1-CD2 4.44Å; F244-Y325 HydrophobicContact CE1-CE1 4.16Å; F244-Y325 HydrophobicContact CE1-CG 4.08Å; F244-Y325 HydrophobicContact CE2-CE2 4.43Å; F244-Y325 AromaticContact CZ-CD1 3.83Å; F244-Y325 HydrophobicContact CZ-CD1 3.83Å; F244-Y325 AromaticContact CZ-CD2 3.8Å; F244-Y325 HydrophobicContact CZ-CD2 3.8Å; F244-Y325 AromaticContact CZ-CE1 3.72Å; F244-Y325 HydrophobicContact CZ-CE1 3.72Å; F244-Y325 AromaticContact CZ-CE2 3.69Å; F244-Y325 HydrophobicContact CZ-CE2 3.69Å; F244-Y325 AromaticContact CZ-CG 3.86Å; F244-Y325 HydrophobicContact CZ-CG 3.86Å; F244-Y325 AromaticContact CZ-CZ 3.65Å; F244-L328 HydrophobicContact CD1-CB 4.12Å; F244-L328 HydrophobicContact CD1-CD2 3.72Å; F244-L328 HydrophobicContact CD1-CG 4.48Å; F244-L328 HydrophobicContact CE1-CB 4.26Å; F244-L328 HydrophobicContact CE1-CD2 3.7Å |
| 245 | R | 89.5 | Confident | 89.3 | Confident | 64 Ų | 64 | 48.2 Ų | 48.2 | 24% | 0.242 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.5 | -37.9 | 176.2 | 171.1 | 177.2 | 158.4 | -132.7 | -6 | 112.5 | L182 N184 Q241 D242 Y243 | L182-R245 HydrophobicContact CD2-CG 4.45Å; L182-R245 PolarHBondContact O-NE 2.93Å; L182-R245 PolarHBondContact O-NH2 2.94Å; N184-R245 WeakPolarHBondContact O-CD 3.41Å; Q241-R245 WeakPolarHBondContact O-CB 3.36Å; Q241-R245 PolarHBondContact O-N 3.13Å; D242-R245 PolarHBondContact O-N 2.89Å; D242-R245 IonicContact OD1-NH1 2.74Å; D242-R245 PolarHBondContact OD1-NH1 2.99Å; Y243-R245 VanDerWaalsContact C-N 3.29Å; Y243-R245 PolarHBondContact O-N 3.25Å |
| 246 | N | 89.6 | Confident | 89.6 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | trans | -126.1 | 83.3 | 179.8 | -171.6 | 2.3 | 0 | 0 | 0 | 111.8 | L182 D242 Y243 V248 Q249 | L182-N246 HydrophobicContact CD2-CB 3.96Å; D242-N246 PolarHBondContact O-N 3.18Å; Y243-N246 CarbonylContact O-C 3.57Å; Y243-N246 PolarHBondContact O-N 3.2Å; N246-V248 PolarHBondContact O-N 3.04Å; N246-V248 VanDerWaalsContact O-N 3.09Å; N246-V248 PolarHBondContact OD1-N 3.25Å; N246-Q249 HydrophobicContact CB-CG 4.23Å; N246-Q249 PolarHBondContact ND2-NE2 3.08Å; N246-Q249 PolarHBondContact O-N 3.22Å | ||
| 247 | P | 89.7 | Confident | 89.8 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -68.1 | -13.5 | -175.9 | 29.7 | -37.7 | 0 | 0 | 0 | 113.3 | F180 Q249 C250 L328 Y331 | F180-P247 HydrophobicContact CD1-CG 4.04Å; F180-P247 HydrophobicContact CD2-CG 4.24Å; F180-P247 HydrophobicContact CE1-CG 3.47Å; F180-P247 VanDerWaalsContact CE1-CG 3.47Å; F180-P247 HydrophobicContact CE2-CG 3.7Å; F180-P247 HydrophobicContact CG-CG 4.41Å; F180-P247 HydrophobicContact CZ-CG 3.29Å; P247-Q249 PolarHBondContact O-N 3.1Å; P247-C250 WeakPolarHBondContact O-CB 3.26Å; P247-C250 PolarHBondContact O-N 3.35Å; P247-L328 HydrophobicContact CB-CD1 3.45Å; P247-L328 VanDerWaalsContact CB-CD1 3.45Å; P247-Y331 HydrophobicContact CB-CD1 3.64Å; P247-Y331 HydrophobicContact CB-CE1 3.64Å; P247-Y331 HydrophobicContact CG-CD1 3.84Å; P247-Y331 HydrophobicContact CG-CE1 3.59Å |
| 248 | V | 87.8 | Confident | 89.9 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 39% | 0.394 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -67 | -26.5 | 177 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | F180 N246 C250 Y251 | F180-V248 HydrophobicContact CD2-CG2 4.28Å; F180-V248 HydrophobicContact CE2-CG2 3.95Å; N246-V248 PolarHBondContact O-N 3.04Å; N246-V248 VanDerWaalsContact O-N 3.09Å; N246-V248 PolarHBondContact OD1-N 3.25Å; V248-C250 PolarHBondContact O-N 3.44Å; V248-Y251 WeakPolarHBondContact O-CD2 3.44Å; V248-Y251 PolarHBondContact O-N 3.21Å |
| 249 | Q | 88.7 | Confident | 90.1 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -64.4 | -25.2 | 176.8 | -66.1 | 179 | 0.6 | 0 | 0 | 112.6 | Y243 N246 P247 Y251 D252 S255 | Y243-Q249 HydrophobicContact CD1-CB 4.13Å; Y243-Q249 HydrophobicContact CE1-CB 4.29Å; N246-Q249 HydrophobicContact CB-CG 4.23Å; N246-Q249 PolarHBondContact ND2-NE2 3.08Å; N246-Q249 PolarHBondContact O-N 3.22Å; P247-Q249 PolarHBondContact O-N 3.1Å; Q249-Y251 PolarHBondContact O-N 2.89Å; Q249-Y251 VanDerWaalsContact O-N 3.16Å; Q249-D252 PolarHBondContact O-N 3.33Å; Q249-D252 VanDerWaalsContact O-N 3.13Å; Q249-S255 WeakPolarHBondContact O-CB 3.49Å |
| 250 | C | 89 | Confident | 90.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -67.5 | -11.7 | 178.8 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | P247 V248 W256 L332 | P247-C250 WeakPolarHBondContact O-CB 3.26Å; P247-C250 PolarHBondContact O-N 3.35Å; V248-C250 PolarHBondContact O-N 3.44Å; C250-W256 HydrophobicContact CB-CE3 3.88Å; C250-W256 HydrophobicContact CB-CZ3 4.06Å; C250-W256 VanDerWaalsContact O-CE3 3.25Å; C250-L332 HydrophobicContact CB-CD1 4.26Å; C250-L332 HydrophobicContact CB-CD2 3.99Å |
| 251 | Y | 87 | Confident | 90.3 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -85.6 | -12.3 | 174.5 | -64.6 | -74 | 0 | 0 | 0 | 113.5 | V248 Q249 L332 K339 C343 L345 | V248-Y251 WeakPolarHBondContact O-CD2 3.44Å; V248-Y251 PolarHBondContact O-N 3.21Å; Q249-Y251 PolarHBondContact O-N 2.89Å; Q249-Y251 VanDerWaalsContact O-N 3.16Å; Y251-L332 HydrophobicContact CE1-CD2 4.4Å; Y251-L332 HydrophobicContact CE2-CD2 3.94Å; Y251-L332 PolarHBondContact OH-O 3.29Å; Y251-K339 PolarHBondContact OH-NZ 3.22Å; Y251-C343 HydrophobicContact CD1-CB 4.03Å; Y251-C343 HydrophobicContact CD2-CB 3.9Å; Y251-C343 HydrophobicContact CE1-CB 3.87Å; Y251-C343 WeakPolarHBondContact CE1-O 3.39Å; Y251-C343 HydrophobicContact CE2-CB 3.73Å; Y251-C343 HydrophobicContact CG-CB 4.05Å; Y251-L345 HydrophobicContact CD1-CD2 4.14Å; Y251-L345 HydrophobicContact CE1-CD2 3.85Å; Y251-L345 HydrophobicContact CE1-CG 4.15Å |
| 252 | D | 89.5 | Confident | 90.4 | Very high | 84 Ų | 84 | 55.5 Ų | 55.5 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -83.1 | 139.7 | 172.8 | 170.9 | 47.9 | 0 | 0 | 0 | 111.2 | Q249 F254 S255 W256 | Q249-D252 PolarHBondContact O-N 3.33Å; Q249-D252 VanDerWaalsContact O-N 3.13Å; D252-F254 PolarHBondContact O-N 2.96Å; D252-S255 PolarHBondContact O-N 2.97Å; D252-S255 WeakPolarHBondContact OD2-CB 3.35Å; D252-S255 PolarHBondContact OD2-N 3.41Å; D252-S255 PolarHBondContact OD2-OG 2.83Å; D252-W256 WeakPolarHBondContact O-CB 3.33Å; D252-W256 PolarHBondContact O-N 3.49Å |
| 253 | K | 87.5 | Confident | 90.6 | Very high | 165 Ų | 165 | 54 Ų | 54 | 72% | 0.717 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | -172.7 | -69.5 | -175.4 | 179.2 | -178.7 | 0 | 112.8 | M257 | K253-M257 WeakPolarHBondContact O-CG 3.43Å; K253-M257 PolarHBondContact O-N 3.49Å; K253-M257 VanDerWaalsContact O-N 3.1Å |
| 254 | F | 89.1 | Confident | 90.7 | Very high | 153 Ų | 153 | 56.8 Ų | 56.8 | 67% | 0.671 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70.2 | -43.5 | -177.7 | -179.3 | -95.8 | 0 | 0 | 0 | 111.1 | D252 W256 M257 T258 | D252-F254 PolarHBondContact O-N 2.96Å; F254-W256 VanDerWaalsContact C-N 3.34Å; F254-W256 PolarHBondContact O-N 3.26Å; F254-M257 PolarHBondContact O-N 3.11Å; F254-T258 PolarHBondContact O-N 3.35Å; F254-T258 VanDerWaalsContact O-N 3.12Å; F254-T258 PolarHBondContact O-OG1 3.34Å |
| 255 | S | 90.8 | Very high | 90.6 | Very high | 22 Ų | 22 | 58.1 Ų | 58.1 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.6 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | Q249 D252 T258 F259 | Q249-S255 WeakPolarHBondContact O-CB 3.49Å; D252-S255 PolarHBondContact O-N 2.97Å; D252-S255 WeakPolarHBondContact OD2-CB 3.35Å; D252-S255 PolarHBondContact OD2-N 3.41Å; D252-S255 PolarHBondContact OD2-OG 2.83Å; S255-T258 PolarHBondContact O-N 3.18Å; S255-F259 WeakPolarHBondContact O-CB 3.43Å; S255-F259 PolarHBondContact O-N 3.03Å |
| 256 | W | 92.3 | Very high | 90.6 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 175.9 | -177.9 | -103.5 | 0 | 0 | 0 | 112.8 | C250 D252 F254 T258 F259 L260 L332 Q349 W352 I353 | C250-W256 HydrophobicContact CB-CE3 3.88Å; C250-W256 HydrophobicContact CB-CZ3 4.06Å; C250-W256 VanDerWaalsContact O-CE3 3.25Å; D252-W256 WeakPolarHBondContact O-CB 3.33Å; D252-W256 PolarHBondContact O-N 3.49Å; F254-W256 VanDerWaalsContact C-N 3.34Å; F254-W256 PolarHBondContact O-N 3.26Å; W256-T258 VanDerWaalsContact C-N 3.25Å; W256-T258 PolarHBondContact O-N 3.06Å; W256-F259 HydrophobicContact CE3-CD1 4.03Å; W256-F259 HydrophobicContact CH2-CD1 4.41Å; W256-F259 HydrophobicContact CH2-CE1 4.39Å; W256-F259 AromaticContact CZ3-CD1 3.85Å; W256-F259 HydrophobicContact CZ3-CD1 3.85Å; W256-F259 HydrophobicContact CZ3-CE1 4.04Å; W256-F259 WeakPolarHBondContact O-CB 3.45Å; W256-F259 PolarHBondContact O-N 2.68Å; W256-L260 HydrophobicContact CD2-CG 4.48Å; W256-L260 HydrophobicContact CZ2-CD2 3.84Å; W256-L260 HydrophobicContact CZ2-CG 4.41Å; W256-L260 WeakPolarHBondContact O-CG 3.44Å; W256-L260 PolarHBondContact O-N 3.01Å; W256-L332 HydrophobicContact CZ3-CD1 4.05Å; W256-Q349 VanDerWaalsContact CG-NE2 3.34Å; W256-Q349 HydrophobicContact CZ2-CB 3.88Å; W256-Q349 HydrophobicContact CZ2-CG 4.09Å; W256-W352 AromaticContact CH2-CE3 3.98Å; W256-W352 HydrophobicContact CH2-CE3 3.98Å; W256-W352 AromaticContact CH2-CZ3 3.94Å; W256-W352 HydrophobicContact CH2-CZ3 3.94Å; W256-W352 AromaticContact CZ2-CE3 3.84Å; W256-W352 HydrophobicContact CZ2-CE3 3.84Å; W256-W352 HydrophobicContact CZ2-CZ3 4.18Å; W256-I353 HydrophobicContact CH2-CD1 4Å; W256-I353 HydrophobicContact CH2-CG1 4.02Å |
| 257 | M | 91.9 | Very high | 90.7 | Very high | 131 Ų | 131 | 53.8 Ų | 53.8 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.8 | -38.2 | 177.4 | -72.6 | -178.6 | -177.8 | 0 | 0 | 112.3 | K253 F254 K261 | K253-M257 WeakPolarHBondContact O-CG 3.43Å; K253-M257 PolarHBondContact O-N 3.49Å; K253-M257 VanDerWaalsContact O-N 3.1Å; F254-M257 PolarHBondContact O-N 3.11Å; M257-K261 PolarHBondContact O-N 3.17Å |
| 258 | T | 92.1 | Very high | 90.7 | Very high | 30 Ų | 30 | 56 Ų | 56 | 18% | 0.184 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.3 | -45 | 176.4 | -55.9 | 0 | 0 | 0 | 0 | 111 | F254 S255 W256 L260 K261 F262 | F254-T258 PolarHBondContact O-N 3.35Å; F254-T258 VanDerWaalsContact O-N 3.12Å; F254-T258 PolarHBondContact O-OG1 3.34Å; S255-T258 PolarHBondContact O-N 3.18Å; W256-T258 VanDerWaalsContact C-N 3.25Å; W256-T258 PolarHBondContact O-N 3.06Å; T258-L260 PolarHBondContact O-N 3.39Å; T258-K261 PolarHBondContact O-N 2.8Å; T258-F262 HydrophobicContact CG2-CD2 3.84Å; T258-F262 HydrophobicContact CG2-CE1 4.16Å; T258-F262 HydrophobicContact CG2-CE2 3.34Å; T258-F262 HydrophobicContact CG2-CG 4.44Å; T258-F262 HydrophobicContact CG2-CZ 3.52Å; T258-F262 WeakPolarHBondContact O-CG 3.45Å; T258-F262 PolarHBondContact O-N 3.16Å |
| 259 | F | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 176.1 | 173.8 | -101.1 | 0 | 0 | 0 | 112.5 | L240 Y243 S255 W256 F262 S263 Y325 L328 F329 W352 | L240-F259 HydrophobicContact CD2-CD2 3.69Å; L240-F259 HydrophobicContact CD2-CE2 3.94Å; Y243-F259 HydrophobicContact CD2-CB 4.37Å; Y243-F259 HydrophobicContact CD2-CD2 4.04Å; Y243-F259 HydrophobicContact CE2-CB 4.4Å; Y243-F259 HydrophobicContact CG-CB 4.45Å; Y243-F259 AromaticContact CG-CD2 3.96Å; Y243-F259 HydrophobicContact CG-CD2 3.96Å; S255-F259 WeakPolarHBondContact O-CB 3.43Å; S255-F259 PolarHBondContact O-N 3.03Å; W256-F259 HydrophobicContact CE3-CD1 4.03Å; W256-F259 HydrophobicContact CH2-CD1 4.41Å; W256-F259 HydrophobicContact CH2-CE1 4.39Å; W256-F259 AromaticContact CZ3-CD1 3.85Å; W256-F259 HydrophobicContact CZ3-CD1 3.85Å; W256-F259 HydrophobicContact CZ3-CE1 4.04Å; W256-F259 WeakPolarHBondContact O-CB 3.45Å; W256-F259 PolarHBondContact O-N 2.68Å; F259-F262 PolarHBondContact O-N 3.2Å; F259-S263 WeakPolarHBondContact CE2-OG 3.17Å; F259-S263 WeakPolarHBondContact CZ-OG 3.45Å; F259-S263 WeakPolarHBondContact O-CB 2.95Å; F259-S263 PolarHBondContact O-N 2.54Å; F259-S263 PolarHBondContact O-OG 2.89Å; F259-Y325 HydrophobicContact CE2-CE1 4.26Å; F259-Y325 HydrophobicContact CZ-CD1 4.39Å; F259-Y325 AromaticContact CZ-CE1 3.93Å; F259-Y325 HydrophobicContact CZ-CE1 3.93Å; F259-L328 HydrophobicContact CE1-CD2 4.46Å; F259-L328 HydrophobicContact CE2-CD2 3.83Å; F259-L328 HydrophobicContact CZ-CD2 3.57Å; F259-F329 HydrophobicContact CE1-CE1 4.44Å; F259-F329 HydrophobicContact CZ-CE1 4.38Å; F259-W352 HydrophobicContact CD1-CH2 4.46Å; F259-W352 AromaticContact CE1-CH2 3.87Å; F259-W352 HydrophobicContact CE1-CH2 3.87Å; F259-W352 AromaticContact CE1-CZ3 3.92Å; F259-W352 HydrophobicContact CE1-CZ3 3.92Å |
| 260 | L | 93.2 | Very high | 90.7 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.2 | -55.3 | 175.3 | -73 | 178.4 | 0 | 0 | 0 | 110.8 | W256 T258 F262 S263 D264 W352 | W256-L260 HydrophobicContact CD2-CG 4.48Å; W256-L260 HydrophobicContact CZ2-CD2 3.84Å; W256-L260 HydrophobicContact CZ2-CG 4.41Å; W256-L260 WeakPolarHBondContact O-CG 3.44Å; W256-L260 PolarHBondContact O-N 3.01Å; T258-L260 PolarHBondContact O-N 3.39Å; L260-F262 PolarHBondContact O-N 2.86Å; L260-S263 PolarHBondContact O-N 3.22Å; L260-D264 PolarHBondContact O-N 3.17Å; L260-W352 HydrophobicContact CD2-CD2 3.24Å; L260-W352 HydrophobicContact CD2-CE3 3.5Å; L260-W352 HydrophobicContact CD2-CG 3.84Å; L260-W352 HydrophobicContact CD2-CH2 3.71Å; L260-W352 HydrophobicContact CD2-CZ2 3.45Å; L260-W352 VanDerWaalsContact CD2-CZ2 3.45Å; L260-W352 HydrophobicContact CD2-CZ3 3.73Å |
| 261 | K | 92.4 | Very high | 90.6 | Very high | 123 Ų | 123 | 56.9 Ų | 56.9 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58 | -46.7 | -177.8 | -175.7 | 179.2 | 179.9 | -180 | 0 | 112 | M257 T258 E265 | M257-K261 PolarHBondContact O-N 3.17Å; T258-K261 PolarHBondContact O-N 2.8Å; K261-E265 WeakPolarHBondContact CE-OE1 3.29Å; K261-E265 WeakPolarHBondContact O-CG 3.32Å; K261-E265 PolarHBondContact O-N 3.46Å |
| 262 | F | 92.9 | Very high | 90.6 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.9 | -33.7 | -178.2 | -65 | -6.6 | 0 | 0 | 0 | 112 | K236 T239 L240 T258 F259 L260 T266 | K236-F262 HydrophobicContact CB-CB 4.46Å; K236-F262 HydrophobicContact CB-CD1 4.08Å; K236-F262 HydrophobicContact CB-CD2 4.4Å; K236-F262 HydrophobicContact CB-CE1 4.44Å; K236-F262 HydrophobicContact CB-CG 4.07Å; K236-F262 HydrophobicContact CD-CD1 3.87Å; K236-F262 HydrophobicContact CD-CE1 3.99Å; K236-F262 HydrophobicContact CG-CD1 3.71Å; K236-F262 HydrophobicContact CG-CE1 3.68Å; K236-F262 HydrophobicContact CG-CG 4.18Å; K236-F262 HydrophobicContact CG-CZ 4.09Å; T239-F262 HydrophobicContact CG2-CD2 4.24Å; T239-F262 HydrophobicContact CG2-CE2 3.87Å; L240-F262 HydrophobicContact CD1-CB 4.2Å; L240-F262 HydrophobicContact CD2-CB 3.7Å; L240-F262 HydrophobicContact CG-CB 3.87Å; T258-F262 HydrophobicContact CG2-CD2 3.84Å; T258-F262 HydrophobicContact CG2-CE1 4.16Å; T258-F262 HydrophobicContact CG2-CE2 3.34Å; T258-F262 HydrophobicContact CG2-CG 4.44Å; T258-F262 HydrophobicContact CG2-CZ 3.52Å; T258-F262 WeakPolarHBondContact O-CG 3.45Å; T258-F262 PolarHBondContact O-N 3.16Å; F259-F262 PolarHBondContact O-N 3.2Å; L260-F262 PolarHBondContact O-N 2.86Å; F262-T266 WeakPolarHBondContact O-CB 3.5Å; F262-T266 PolarHBondContact O-N 3.22Å; F262-T266 PolarHBondContact O-OG1 3.49Å |
| 263 | S | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 176.8 | -61.9 | 0 | 0 | 0 | 0 | 112 | L240 F259 L260 E265 T266 L267 Y325 | L240-S263 WeakPolarHBondContact CD2-OG 3.36Å; F259-S263 WeakPolarHBondContact CE2-OG 3.17Å; F259-S263 WeakPolarHBondContact CZ-OG 3.45Å; F259-S263 WeakPolarHBondContact O-CB 2.95Å; F259-S263 PolarHBondContact O-N 2.54Å; F259-S263 PolarHBondContact O-OG 2.89Å; L260-S263 PolarHBondContact O-N 3.22Å; S263-E265 VanDerWaalsContact C-N 3.32Å; S263-E265 PolarHBondContact O-N 3.33Å; S263-T266 PolarHBondContact O-N 2.9Å; S263-L267 WeakPolarHBondContact O-CB 3.4Å; S263-L267 VanDerWaalsContact O-CG 3.31Å; S263-L267 WeakPolarHBondContact O-CG 3.46Å; S263-L267 PolarHBondContact O-N 3.38Å; S263-Y325 WeakPolarHBondContact CA-OH 3.3Å; S263-Y325 WeakPolarHBondContact CB-OH 3.38Å; S263-Y325 WeakPolarHBondContact OG-CE1 3.46Å; S263-Y325 PolarHBondContact OG-OH 3.22Å; S263-Y325 VanDerWaalsContact OG-OH 3.06Å |
| 264 | D | 92.2 | Very high | 89.8 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 178.1 | -70.9 | -21.2 | 0 | 0 | 0 | 111.3 | L260 A268 | L260-D264 PolarHBondContact O-N 3.17Å; D264-A268 WeakPolarHBondContact O-CB 3.42Å; D264-A268 PolarHBondContact O-N 2.9Å |
| 265 | E | 89.9 | Confident | 89.2 | Confident | 61 Ų | 61 | 51 Ų | 51 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 175.3 | -71.5 | -177.2 | -151.8 | 0 | 0 | 112 | K236 K261 S263 A268 V269 | K236-E265 WeakPolarHBondContact CD-OE2 3.35Å; K236-E265 WeakPolarHBondContact CE-OE2 3.21Å; K236-E265 IonicContact NZ-OE1 2.84Å; K236-E265 PolarHBondContact NZ-OE1 3.29Å; K236-E265 IonicContact NZ-OE2 2.57Å; K236-E265 PolarHBondContact NZ-OE2 3.08Å; K261-E265 WeakPolarHBondContact CE-OE1 3.29Å; K261-E265 WeakPolarHBondContact O-CG 3.32Å; K261-E265 PolarHBondContact O-N 3.46Å; S263-E265 VanDerWaalsContact C-N 3.32Å; S263-E265 PolarHBondContact O-N 3.33Å; E265-A268 PolarHBondContact O-N 3.23Å; E265-V269 WeakPolarHBondContact O-CG2 3.43Å; E265-V269 PolarHBondContact O-N 3.49Å; E265-V269 VanDerWaalsContact O-N 3.08Å |
| 266 | T | 89.8 | Confident | 87.9 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.3 | -44.8 | -180 | -59.8 | 0 | 0 | 0 | 0 | 112 | F237 L240 F262 S263 A268 V269 F270 | F237-T266 HydrophobicContact CD2-CG2 3.67Å; F237-T266 HydrophobicContact CE2-CG2 3.96Å; L240-T266 HydrophobicContact CD1-CG2 4.37Å; L240-T266 VanDerWaalsContact CD1-OG1 3.29Å; L240-T266 WeakPolarHBondContact CD1-OG1 3.25Å; F262-T266 WeakPolarHBondContact O-CB 3.5Å; F262-T266 PolarHBondContact O-N 3.22Å; F262-T266 PolarHBondContact O-OG1 3.49Å; S263-T266 PolarHBondContact O-N 2.9Å; T266-A268 VanDerWaalsContact C-N 3.32Å; T266-A268 PolarHBondContact O-N 2.9Å; T266-V269 WeakPolarHBondContact O-CB 3.4Å; T266-V269 PolarHBondContact O-N 2.79Å; T266-F270 HydrophobicContact CG2-CE2 4.12Å; T266-F270 HydrophobicContact CG2-CZ 4.27Å; T266-F270 PolarHBondContact O-N 3.31Å |
| 267 | L | 90.8 | Very high | 86.2 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.7 | -32.2 | 177.8 | -67.1 | 174.2 | 0 | 0 | 0 | 111.8 | S263 V269 F270 K271 L322 Y325 T356 L359 V360 L363 | S263-L267 WeakPolarHBondContact O-CB 3.4Å; S263-L267 VanDerWaalsContact O-CG 3.31Å; S263-L267 WeakPolarHBondContact O-CG 3.46Å; S263-L267 PolarHBondContact O-N 3.38Å; L267-V269 VanDerWaalsContact C-N 3.34Å; L267-F270 HydrophobicContact CD2-CD2 4.32Å; L267-F270 PolarHBondContact O-N 3.47Å; L267-K271 WeakPolarHBondContact O-CB 3.48Å; L267-K271 PolarHBondContact O-N 2.97Å; L267-L322 HydrophobicContact CD2-CD2 3.93Å; L267-Y325 HydrophobicContact CD2-CD2 4.48Å; L267-Y325 HydrophobicContact CD2-CE2 4.25Å; L267-T356 HydrophobicContact CD1-CG2 3.45Å; L267-T356 VanDerWaalsContact CD1-CG2 3.45Å; L267-L359 HydrophobicContact CB-CD2 4.33Å; L267-L359 HydrophobicContact CD1-CD2 4.36Å; L267-V360 HydrophobicContact CD1-CG2 4.46Å; L267-V360 HydrophobicContact CD2-CG2 4.17Å; L267-L363 HydrophobicContact CD2-CD1 4.04Å |
| 268 | A | 90.2 | Very high | 84.7 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 45% | 0.446 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | D264 E265 T266 K271 S272 | D264-A268 WeakPolarHBondContact O-CB 3.42Å; D264-A268 PolarHBondContact O-N 2.9Å; E265-A268 PolarHBondContact O-N 3.23Å; T266-A268 VanDerWaalsContact C-N 3.32Å; T266-A268 PolarHBondContact O-N 2.9Å; A268-K271 PolarHBondContact O-N 3.45Å; A268-S272 WeakPolarHBondContact O-CB 3.37Å; A268-S272 PolarHBondContact O-N 2.97Å; A268-S272 PolarHBondContact O-OG 2.92Å |
| 269 | V | 88.4 | Confident | 82.8 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 172.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L233 E265 T266 L267 K271 S272 F273 | L233-V269 HydrophobicContact CD1-CG2 3.94Å; L233-V269 HydrophobicContact CD2-CG1 4.45Å; L233-V269 HydrophobicContact CD2-CG2 4.14Å; E265-V269 WeakPolarHBondContact O-CG2 3.43Å; E265-V269 PolarHBondContact O-N 3.49Å; E265-V269 VanDerWaalsContact O-N 3.08Å; T266-V269 WeakPolarHBondContact O-CB 3.4Å; T266-V269 PolarHBondContact O-N 2.79Å; L267-V269 VanDerWaalsContact C-N 3.34Å; V269-K271 VanDerWaalsContact C-N 3.31Å; V269-K271 PolarHBondContact O-N 3.34Å; V269-S272 WeakPolarHBondContact CA-OG 3.47Å; V269-S272 PolarHBondContact O-N 2.97Å; V269-S272 PolarHBondContact O-OG 2.91Å; V269-F273 WeakPolarHBondContact O-CB 3.49Å; V269-F273 PolarHBondContact O-N 3.42Å |
| 270 | F | 87.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.3 | -33.9 | 176.6 | -69.5 | -19.6 | 0 | 0 | 0 | 113.8 | F237 T266 L267 F273 L312 R318 I321 L322 L363 | F237-F270 HydrophobicContact CE2-CZ 4.16Å; T266-F270 HydrophobicContact CG2-CE2 4.12Å; T266-F270 HydrophobicContact CG2-CZ 4.27Å; T266-F270 PolarHBondContact O-N 3.31Å; L267-F270 HydrophobicContact CD2-CD2 4.32Å; L267-F270 PolarHBondContact O-N 3.47Å; F270-F273 VanDerWaalsContact O-O 3.06Å; F270-L312 HydrophobicContact CD1-CD2 4.33Å; F270-L312 HydrophobicContact CE1-CD2 3.57Å; F270-L312 HydrophobicContact CZ-CD2 4.49Å; F270-R318 HydrophobicContact CD1-CG 4.44Å; F270-R318 HydrophobicContact CE1-CG 4.15Å; F270-R318 HydrophobicContact CZ-CG 4.46Å; F270-R318 PolarHBondContact O-NH1 2.96Å; F270-I321 HydrophobicContact CE2-CB 4.25Å; F270-I321 HydrophobicContact CE2-CG2 3.91Å; F270-I321 HydrophobicContact CZ-CB 4.37Å; F270-I321 HydrophobicContact CZ-CG2 4.24Å; F270-L322 HydrophobicContact CD2-CD2 4.1Å; F270-L322 HydrophobicContact CE2-CD2 4.44Å; F270-L363 HydrophobicContact CB-CD1 4.15Å |
| 271 | K | 88.1 | Confident | 78.8 | Confident | 118 Ų | 118 | 69 Ų | 69 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.8 | -37.7 | 176.9 | -173 | 177.2 | -177.2 | 175.4 | 0 | 112.7 | L267 A268 V269 L359 L363 | L267-K271 WeakPolarHBondContact O-CB 3.48Å; L267-K271 PolarHBondContact O-N 2.97Å; A268-K271 PolarHBondContact O-N 3.45Å; V269-K271 VanDerWaalsContact C-N 3.31Å; V269-K271 PolarHBondContact O-N 3.34Å; K271-L359 HydrophobicContact CD-CD1 4.41Å; K271-L363 HydrophobicContact CB-CD2 4.17Å |
| 272 | S | 86.4 | Confident | 76.9 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 67% | 0.671 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -76.8 | -36.9 | -179.6 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | A268 V269 K274 | A268-S272 WeakPolarHBondContact O-CB 3.37Å; A268-S272 PolarHBondContact O-N 2.97Å; A268-S272 PolarHBondContact O-OG 2.92Å; V269-S272 WeakPolarHBondContact CA-OG 3.47Å; V269-S272 PolarHBondContact O-N 2.97Å; V269-S272 PolarHBondContact O-OG 2.91Å; S272-K274 PolarHBondContact O-N 3.35Å |
| 273 | F | 80.9 | Confident | 75 | Confident | 50 Ų | 50 | 76.7 Ų | 76.7 | 22% | 0.219 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -91.9 | 98.3 | 175.6 | -167.1 | -87.2 | 0 | 0 | 0 | 110.6 | I227 V269 F270 L275 R318 | I227-F273 HydrophobicContact CD1-CD2 3.48Å; I227-F273 VanDerWaalsContact CD1-CD2 3.48Å; I227-F273 HydrophobicContact CD1-CE2 3.58Å; I227-F273 HydrophobicContact CD1-CG 4.35Å; I227-F273 HydrophobicContact CD1-CZ 4.49Å; I227-F273 HydrophobicContact CG1-CD2 4.31Å; I227-F273 HydrophobicContact CG1-CE2 4.3Å; V269-F273 WeakPolarHBondContact O-CB 3.49Å; V269-F273 PolarHBondContact O-N 3.42Å; F270-F273 VanDerWaalsContact O-O 3.06Å; F273-L275 HydrophobicContact CD1-CD2 3.95Å; F273-L275 HydrophobicContact CE1-CD2 3.62Å; F273-R318 PolarHBondContact O-NH1 3.39Å; F273-R318 PolarHBondContact O-NH2 3.43Å |
| 274 | K | 78.3 | Confident | 72.9 | Confident | 141 Ų | 141 | 84.1 Ų | 84.1 | 61% | 0.613 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 130.4 | 173.2 | -63 | -164.4 | 178.2 | -129.9 | 0 | 110.1 | S272 E366 | S272-K274 PolarHBondContact O-N 3.35Å; K274-E366 IonicContact NZ-OE1 3.52Å; K274-E366 IonicContact NZ-OE2 3.91Å; K274-E366 PolarHBondContact NZ-OE2 3.05Å |
| 275 | L | 77.3 | Confident | 70.8 | Confident | 33 Ų | 33 | 85.1 Ų | 85.1 | 17% | 0.173 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 132.7 | 173 | -64.2 | -177.3 | 0 | 0 | 0 | 109.2 | F273 S313 T367 | F273-L275 HydrophobicContact CD1-CD2 3.95Å; F273-L275 HydrophobicContact CE1-CD2 3.62Å; L275-S313 VanDerWaalsContact CD2-O 3.27Å; L275-S313 WeakPolarHBondContact CD2-O 3.49Å; L275-T367 HydrophobicContact CD1-CG2 4.34Å |
| 276 | D | 64.1 | Low | 69 | Low | 154 Ų | 154 | 88.3 Ų | 88.3 | 82% | 0.824 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 147.3 | 172.4 | -143.9 | -1.7 | 0 | 0 | 0 | 109.8 | M278 | D276-M278 PolarHBondContact O-N 3.01Š|
| 277 | D | 56.8 | Low | 67.1 | Low | 84 Ų | 84 | 94.2 Ų | 94.2 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | trans | -68.3 | 100.2 | -174 | -163.2 | 9.6 | 0 | 0 | 0 | 109.7 | Q279 P368 | D277-Q279 PolarHBondContact O-N 3.22Å; D277-Q279 PolarHBondContact OD2-NE2 3.37Å; D277-P368 WeakPolarHBondContact OD1-CB 3.45Å | ||
| 278 | M | 59.8 | Low | 65.1 | Low | 114 Ų | 114 | 100.1 Ų | 100.1 | 56% | 0.562 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 37.1 | -169.4 | -130.3 | 167.2 | 60.8 | 0 | 0 | 113 | D276 A280 S281 K282 | D276-M278 PolarHBondContact O-N 3.01Å; M278-A280 PolarHBondContact O-N 3.05Å; M278-A280 VanDerWaalsContact O-N 3.13Å; M278-S281 PolarHBondContact O-N 3.47Å; M278-K282 PolarHBondContact O-N 3.46Å |
| 279 | Q | 52.9 | Low | 63.3 | Low | 130 Ų | 130 | 105.2 Ų | 105.2 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.4 | -27 | 175.6 | -62.7 | -169.4 | 5.4 | 0 | 0 | 112.2 | D277 | D277-Q279 PolarHBondContact O-N 3.22Å; D277-Q279 PolarHBondContact OD2-NE2 3.37Å |
| 280 | A | 48.9 | Very low | 61.4 | Low | 85 Ų | 85 | 108 Ų | 108 | 70% | 0.702 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.4 | -30.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M278 | M278-A280 PolarHBondContact O-N 3.05Å; M278-A280 VanDerWaalsContact O-N 3.13Å |
| 281 | S | 52.6 | Low | 59.4 | Low | 47 Ų | 47 | 111.7 Ų | 111.7 | 33% | 0.329 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -82.2 | -27.8 | -179.6 | -169.8 | 0 | 0 | 0 | 0 | 112.5 | M278 R283 K284 M285 | M278-S281 PolarHBondContact O-N 3.47Å; S281-R283 VanDerWaalsContact C-N 3.28Å; S281-R283 PolarHBondContact O-N 3.24Å; S281-K284 PolarHBondContact O-N 2.98Å; S281-M285 WeakPolarHBondContact O-CB 3.33Å; S281-M285 PolarHBondContact O-N 3.31Å |
| 282 | K | 53.7 | Low | 57.3 | Low | 120 Ų | 120 | 114.3 Ų | 114.3 | 52% | 0.522 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -56.5 | -40.6 | 173.2 | -118 | -177.1 | -179.3 | -178.1 | 0 | 112.4 | M278 M285 E286 | M278-K282 PolarHBondContact O-N 3.46Å; K282-M285 PolarHBondContact O-N 3.11Å; K282-E286 PolarHBondContact O-N 3.01Å |
| 283 | R | 52.2 | Low | 55.3 | Low | 197 Ų | 197 | 112.4 Ų | 112.4 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.5 | -42.2 | 176.3 | -71.8 | -178.8 | 179 | 173.9 | 0.7 | 112.6 | S281 D287 | S281-R283 VanDerWaalsContact C-N 3.28Å; S281-R283 PolarHBondContact O-N 3.24Å; R283-D287 PolarHBondContact O-N 3.26Å |
| 284 | K | 49.8 | Very low | 53.6 | Low | 157 Ų | 157 | 113.3 Ų | 113.3 | 68% | 0.683 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.4 | -34.3 | 175.3 | -100.3 | -174.9 | 173.3 | -174.1 | 0 | 113 | S281 L288 | S281-K284 PolarHBondContact O-N 2.98Å; K284-L288 WeakPolarHBondContact O-CG 3.37Å; K284-L288 PolarHBondContact O-N 2.98Å; K284-L288 VanDerWaalsContact O-N 3.15Å |
| 285 | M | 47.9 | Very low | 52.4 | Low | 102 Ų | 102 | 113.5 Ų | 113.5 | 50% | 0.502 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -77.9 | -31.8 | -178.9 | -159 | -169.9 | -170.8 | 0 | 0 | 112.4 | S281 K282 L288 R289 | S281-M285 WeakPolarHBondContact O-CB 3.33Å; S281-M285 PolarHBondContact O-N 3.31Å; K282-M285 PolarHBondContact O-N 3.11Å; M285-L288 PolarHBondContact O-N 3.15Å; M285-R289 WeakPolarHBondContact O-CG 3.33Å; M285-R289 PolarHBondContact O-N 2.87Å |
| 286 | E | 51.3 | Low | 51.8 | Low | 127 Ų | 127 | 117.2 Ų | 117.2 | 59% | 0.593 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.5 | -38 | 169.1 | -82 | -179.2 | 157.5 | 0 | 0 | 112 | K282 R289 | K282-E286 PolarHBondContact O-N 3.01Å; E286-R289 PolarHBondContact O-N 3.34Å |
| 287 | D | 50.3 | Low | 52.2 | Low | 128 Ų | 128 | 119.3 Ų | 119.3 | 68% | 0.684 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.1 | -33.6 | 174.7 | -77.4 | -20.6 | 0 | 0 | 0 | 112.6 | R283 A290 | R283-D287 PolarHBondContact O-N 3.26Å; D287-A290 PolarHBondContact O-N 3.41Å |
| 288 | L | 49.9 | Very low | 53.1 | Low | 127 Ų | 127 | 121.8 Ų | 121.8 | 67% | 0.665 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.2 | -24.6 | 175.7 | -76.5 | 162.5 | 0 | 0 | 0 | 113.6 | K284 M285 A290 S291 | K284-L288 WeakPolarHBondContact O-CG 3.37Å; K284-L288 PolarHBondContact O-N 2.98Å; K284-L288 VanDerWaalsContact O-N 3.15Å; M285-L288 PolarHBondContact O-N 3.15Å; L288-A290 PolarHBondContact O-N 3.31Å; L288-S291 PolarHBondContact O-N 3.48Å |
| 289 | R | 50.8 | Low | 53.9 | Low | 160 Ų | 160 | 119.6 Ų | 119.6 | 60% | 0.604 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -15.3 | 173.3 | -77.7 | 177.7 | 177.2 | 179.4 | 1.7 | 113.3 | M285 E286 | M285-R289 WeakPolarHBondContact O-CG 3.33Å; M285-R289 PolarHBondContact O-N 2.87Å; E286-R289 PolarHBondContact O-N 3.34Å |
| 290 | A | 50.4 | Low | 55.2 | Low | 93 Ų | 93 | 119.5 Ų | 119.5 | 77% | 0.769 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -10.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D287 L288 | D287-A290 PolarHBondContact O-N 3.41Å; L288-A290 PolarHBondContact O-N 3.31Å |
| 291 | S | 45.9 | Very low | 56.9 | Low | 82 Ų | 82 | 118.3 Ų | 118.3 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -88.7 | 131.1 | 172 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | L288 G293 | L288-S291 PolarHBondContact O-N 3.48Å; S291-G293 PolarHBondContact O-N 2.91Å |
| 292 | D | 43.9 | Very low | 58.4 | Low | 173 Ų | 173 | 119.6 Ų | 119.6 | 93% | 0.925 | 62% | 0.621 | S | S | * | * | trans | -64.2 | 23.3 | -177.4 | -160.1 | 27.9 | 0 | 0 | 0 | 114.6 | G294 | D292-G294 PolarHBondContact O-N 3.46Š| ||
| 293 | G | 44.3 | Very low | 59.9 | Low | 57 Ų | 57 | 115.6 Ų | 115.6 | 59% | 0.588 | 61% | 0.607 | S | S | * | * | trans | -76.3 | 111.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S291 H295 | S291-G293 PolarHBondContact O-N 2.91Å; G293-H295 PolarHBondContact O-N 3.29Å; G293-H295 VanDerWaalsContact O-N 3.17Å | ||
| 294 | G | 45.1 | Very low | 61.4 | Low | 68 Ų | 68 | 108.6 Ų | 108.6 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | trans | -48 | 123.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D292 V296 | D292-G294 PolarHBondContact O-N 3.46Å; G294-V296 PolarHBondContact O-N 3.15Å | ||
| 295 | H | 51.7 | Low | 62.8 | Low | 146 Ų | 146 | 101.5 Ų | 101.5 | 68% | 0.676 | 56% | 0.557 | S | S | * | * | trans | -55.6 | 104.7 | 176 | -107.3 | -72.2 | 0 | 0 | 0 | 109.6 | G293 Y297 | G293-H295 PolarHBondContact O-N 3.29Å; G293-H295 VanDerWaalsContact O-N 3.17Å; H295-Y297 PolarHBondContact O-N 2.83Å | ||
| 296 | V | 64.8 | Low | 64.4 | Low | 111 Ų | 111 | 103.3 Ų | 103.3 | 67% | 0.673 | 56% | 0.562 | S | S | * | * | trans | -75.2 | 109.3 | 173.6 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | G294 F298 | G294-V296 PolarHBondContact O-N 3.15Å; V296-F298 HydrophobicContact CG1-CE1 4.23Å; V296-F298 HydrophobicContact CG1-CE2 4.45Å; V296-F298 HydrophobicContact CG1-CZ 4.04Å | ||
| 297 | Y | 73.4 | Confident | 65.9 | Low | 198 Ų | 198 | 100.3 Ų | 100.3 | 78% | 0.776 | 55% | 0.55 | S | S | * | . | trans | -91.8 | 121.3 | 178.5 | 177.3 | -100.2 | 0 | 0 | 0 | 110.7 | H295 A299 | H295-Y297 PolarHBondContact O-N 2.83Å; Y297-A299 HydrophobicContact CD1-CB 4.29Å; Y297-A299 HydrophobicContact CE1-CB 3.95Å; Y297-A299 PolarHBondContact O-N 3.48Å | ||
| 298 | F | 76.3 | Confident | 67.4 | Low | 136 Ų | 136 | 94.3 Ų | 94.3 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | trans | -88.7 | 106.9 | 175.6 | -60.6 | -78 | 0 | 0 | 0 | 110.3 | V296 L302 | V296-F298 HydrophobicContact CG1-CE1 4.23Å; V296-F298 HydrophobicContact CG1-CE2 4.45Å; V296-F298 HydrophobicContact CG1-CZ 4.04Å; F298-L302 HydrophobicContact CD1-CD1 4.37Å; F298-L302 HydrophobicContact CD1-CD2 4.28Å | ||
| 299 | A | 75 | Confident | 68.9 | Low | 67 Ų | 67 | 90.4 Ų | 90.4 | 55% | 0.554 | 50% | 0.497 | S | S | * | . | trans | -78.2 | -18 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y297 | Y297-A299 HydrophobicContact CD1-CB 4.29Å; Y297-A299 HydrophobicContact CE1-CB 3.95Å; Y297-A299 PolarHBondContact O-N 3.48Å | ||
| 300 | K | 81.5 | Confident | 70.4 | Confident | 129 Ų | 129 | 88.2 Ų | 88.2 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -128.6 | 158.3 | -179.4 | -70.1 | -164.9 | 176.7 | -160.6 | 0 | 110.9 | N184 | N184-K300 PolarHBondContact OD1-NZ 2.88Š|
| 301 | F | 84.4 | Confident | 72.1 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 26% | 0.263 | 47% | 0.465 | S | S | . | . | trans | -61.6 | 137.8 | 171.2 | -63.9 | -50.4 | 0 | 0 | 0 | 111.3 | W238 F317 H320 I321 | W238-F301 HydrophobicContact CH2-CB 3.71Å; W238-F301 HydrophobicContact CH2-CG 4.19Å; W238-F301 HydrophobicContact CZ3-CB 3.83Å; W238-F301 HydrophobicContact CZ3-CD2 4.11Å; W238-F301 HydrophobicContact CZ3-CG 4.11Å; F301-F317 HydrophobicContact CD1-CD2 4.29Å; F301-F317 AromaticContact CD1-CE2 3.97Å; F301-F317 HydrophobicContact CD1-CE2 3.97Å; F301-F317 HydrophobicContact CE1-CD2 4.34Å; F301-F317 HydrophobicContact CE1-CE2 4.23Å; F301-H320 HydrophobicContact CE1-CB 4.25Å; F301-H320 HydrophobicContact CZ-CB 4.31Å; F301-I321 HydrophobicContact CZ-CD1 4.43Å | ||
| 302 | L | 84.1 | Confident | 73.8 | Confident | 74 Ų | 74 | 81 Ų | 81 | 39% | 0.387 | 44% | 0.439 | S | S | . | . | trans | -87.7 | 108.1 | 173.2 | -58 | 168.5 | 0 | 0 | 0 | 107.5 | F298 S304 L307 Q311 | F298-L302 HydrophobicContact CD1-CD1 4.37Å; F298-L302 HydrophobicContact CD1-CD2 4.28Å; L302-S304 PolarHBondContact O-N 3.4Å; L302-L307 HydrophobicContact CD1-CD2 4.07Å; L302-Q311 PolarHBondContact O-NE2 2.95Å; L302-Q311 PolarHBondContact O-OE1 2.9Å | ||
| 303 | T | 84.8 | Confident | 75.7 | Confident | 36 Ų | 36 | 75.1 Ų | 75.1 | 22% | 0.221 | 41% | 0.411 | C | S | . | . | trans | -89.7 | 27.3 | -174.8 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | T186 V187 F188 Y234 W238 | T186-T303 HydrophobicContact CG2-CG2 3.42Å; T186-T303 VanDerWaalsContact CG2-CG2 3.42Å; V187-T303 VanDerWaalsContact O-CB 3.23Å; V187-T303 WeakPolarHBondContact O-CB 3.4Å; V187-T303 WeakPolarHBondContact O-CG2 3.48Å; V187-T303 PolarHBondContact O-OG1 3.22Å; F188-T303 HydrophobicContact CB-CG2 4.21Å; Y234-T303 WeakPolarHBondContact CE2-O 3.48Å; Y234-T303 PolarHBondContact OH-O 3.06Å; W238-T303 HydrophobicContact CD2-CG2 4.04Å; W238-T303 HydrophobicContact CE3-CG2 3.95Å; W238-T303 HydrophobicContact CH2-CG2 4.03Å; W238-T303 HydrophobicContact CZ2-CG2 4.07Å; W238-T303 HydrophobicContact CZ3-CG2 3.95Å | ||
| 304 | S | 83 | Confident | 77.7 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 35% | 0.35 | 40% | 0.398 | S | S | . | . | trans | -77.7 | 131.7 | 178.7 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | L302 K306 L307 | L302-S304 PolarHBondContact O-N 3.4Å; S304-K306 VanDerWaalsContact C-N 3.28Å; S304-K306 PolarHBondContact O-N 2.83Å; S304-L307 PolarHBondContact O-N 3.41Å; S304-L307 VanDerWaalsContact O-N 3.16Å; S304-L307 WeakPolarHBondContact OG-CD1 3.43Å | ||
| 305 | E | 81.1 | Confident | 79.7 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -57.3 | -40.7 | 178.2 | -70.2 | 174.6 | -162.2 | 0 | 0 | 112.4 | N189 S195 T196 L197 Y234 L307 M308 | N189-E305 VanDerWaalsContact CB-OE1 3.24Å; N189-E305 WeakPolarHBondContact CB-OE1 3.42Å; N189-E305 PolarHBondContact ND2-OE1 3.43Å; S195-E305 WeakPolarHBondContact CA-OE2 3.41Å; S195-E305 PolarHBondContact OG-OE2 2.61Å; T196-E305 PolarHBondContact N-OE2 2.72Å; T196-E305 PolarHBondContact OG1-OE2 2.68Å; L197-E305 HydrophobicContact CD1-CB 3.8Å; L197-E305 HydrophobicContact CD1-CG 4.17Å; L197-E305 HydrophobicContact CG-CB 3.9Å; Y234-E305 HydrophobicContact CD1-CG 3.96Å; Y234-E305 HydrophobicContact CD2-CG 4.08Å; Y234-E305 HydrophobicContact CE1-CG 3.63Å; Y234-E305 HydrophobicContact CE2-CB 4.33Å; Y234-E305 HydrophobicContact CE2-CG 3.74Å; Y234-E305 HydrophobicContact CG-CG 4.18Å; E305-L307 PolarHBondContact O-N 3.03Å; E305-M308 WeakPolarHBondContact O-CB 3.4Å; E305-M308 PolarHBondContact O-N 3.4Å |
| 306 | K | 80 | Confident | 81.4 | Confident | 140 Ų | 140 | 69.8 Ų | 69.8 | 61% | 0.609 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -68.3 | -22.5 | -178.9 | -60.9 | -177.7 | -178 | 177.8 | 0 | 113.3 | S304 | S304-K306 VanDerWaalsContact C-N 3.28Å; S304-K306 PolarHBondContact O-N 2.83Å |
| 307 | L | 83.3 | Confident | 82.5 | Confident | 64 Ų | 64 | 65 Ų | 65 | 34% | 0.335 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -91.4 | -7.9 | -177.9 | -82.8 | 87.6 | 0 | 0 | 0 | 112.8 | L302 S304 E305 D309 L310 Q311 | L302-L307 HydrophobicContact CD1-CD2 4.07Å; S304-L307 PolarHBondContact O-N 3.41Å; S304-L307 VanDerWaalsContact O-N 3.16Å; S304-L307 WeakPolarHBondContact OG-CD1 3.43Å; E305-L307 PolarHBondContact O-N 3.03Å; L307-D309 VanDerWaalsContact C-N 3.25Å; L307-D309 PolarHBondContact O-N 2.87Å; L307-L310 PolarHBondContact O-N 2.89Å; L307-L310 VanDerWaalsContact O-N 3.11Å; L307-Q311 WeakPolarHBondContact O-CG 3.32Å; L307-Q311 PolarHBondContact O-N 3.13Å |
| 308 | M | 81.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59 | -37.6 | -173.7 | -171.2 | 66.8 | -176 | 0 | 0 | 111.9 | I229 F237 E305 Q311 L312 | I229-M308 HydrophobicContact CD1-CB 3.64Å; I229-M308 HydrophobicContact CD1-CG 3.65Å; I229-M308 HydrophobicContact CG2-CB 4.33Å; I229-M308 HydrophobicContact CG2-CG 4.2Å; F237-M308 HydrophobicContact CB-CE 4.01Å; F237-M308 HydrophobicContact CD1-CE 3.63Å; F237-M308 HydrophobicContact CD1-SD 4.31Å; F237-M308 HydrophobicContact CD2-CE 3.88Å; F237-M308 HydrophobicContact CE1-CE 4.04Å; F237-M308 HydrophobicContact CE2-CE 4.25Å; F237-M308 HydrophobicContact CG-CE 3.54Å; F237-M308 HydrophobicContact CZ-CE 4.32Å; E305-M308 WeakPolarHBondContact O-CB 3.4Å; E305-M308 PolarHBondContact O-N 3.4Å; M308-Q311 PolarHBondContact O-N 2.93Å; M308-L312 HydrophobicContact CE-CD1 4.15Å; M308-L312 HydrophobicContact CE-CD2 3.88Å; M308-L312 HydrophobicContact CE-CG 3.99Å; M308-L312 HydrophobicContact CG-CD1 4.27Å; M308-L312 HydrophobicContact CG-CG 4.42Å; M308-L312 WeakPolarHBondContact O-CB 3.37Å; M308-L312 VanDerWaalsContact O-CG 3.25Å; M308-L312 WeakPolarHBondContact O-CG 3.33Å; M308-L312 PolarHBondContact O-N 2.78Å |
| 309 | D | 81.1 | Confident | 84 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 176 | -80.8 | -55 | 0 | 0 | 0 | 112 | I229 L307 Q311 L312 S313 | I229-D309 HydrophobicContact CD1-CB 3.9Å; I229-D309 WeakPolarHBondContact CD1-OD1 3.44Å; I229-D309 WeakPolarHBondContact CD1-OD2 3.26Å; I229-D309 WeakPolarHBondContact CG1-OD1 3.31Å; L307-D309 VanDerWaalsContact C-N 3.25Å; L307-D309 PolarHBondContact O-N 2.87Å; D309-Q311 VanDerWaalsContact C-N 3.31Å; D309-Q311 PolarHBondContact O-N 3.35Å; D309-L312 PolarHBondContact O-N 2.77Å; D309-S313 PolarHBondContact O-N 3.04Å; D309-S313 VanDerWaalsContact O-N 3.08Å |
| 310 | L | 83.4 | Confident | 84.8 | Confident | 115 Ų | 115 | 52 Ų | 52 | 60% | 0.602 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 179.2 | -74.6 | 82.5 | 0 | 0 | 0 | 110.6 | L307 S313 D314 | L307-L310 PolarHBondContact O-N 2.89Å; L307-L310 VanDerWaalsContact O-N 3.11Å; L310-S313 PolarHBondContact O-N 3.19Å; L310-S313 PolarHBondContact O-OG 3.44Å; L310-D314 PolarHBondContact O-N 3.5Å; L310-D314 VanDerWaalsContact O-N 3.16Å |
| 311 | Q | 84.5 | Confident | 85.4 | Confident | 20 Ų | 20 | 46 Ų | 46 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -41.6 | 177.6 | -71.9 | -178.5 | -20.5 | 0 | 0 | 112.7 | L302 L307 M308 D309 S313 D314 F317 | L302-Q311 PolarHBondContact O-NE2 2.95Å; L302-Q311 PolarHBondContact O-OE1 2.9Å; L307-Q311 WeakPolarHBondContact O-CG 3.32Å; L307-Q311 PolarHBondContact O-N 3.13Å; M308-Q311 PolarHBondContact O-N 2.93Å; D309-Q311 VanDerWaalsContact C-N 3.31Å; D309-Q311 PolarHBondContact O-N 3.35Å; Q311-S313 PolarHBondContact O-N 2.97Å; Q311-D314 PolarHBondContact O-N 2.8Å; Q311-F317 HydrophobicContact CB-CD1 3.87Å; Q311-F317 HydrophobicContact CB-CD2 4.28Å; Q311-F317 HydrophobicContact CB-CE1 3.91Å; Q311-F317 HydrophobicContact CB-CE2 4.33Å; Q311-F317 HydrophobicContact CB-CG 4.04Å; Q311-F317 HydrophobicContact CB-CZ 4.12Å; Q311-F317 WeakPolarHBondContact O-CB 3.41Å; Q311-F317 WeakPolarHBondContact O-CD1 3.35Å |
| 312 | L | 83.1 | Confident | 85.8 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -27.1 | 175.5 | -71.8 | 178 | 0 | 0 | 0 | 112.2 | I229 F270 M308 D309 R318 | I229-L312 HydrophobicContact CD1-CD1 4.04Å; F270-L312 HydrophobicContact CD1-CD2 4.33Å; F270-L312 HydrophobicContact CE1-CD2 3.57Å; F270-L312 HydrophobicContact CZ-CD2 4.49Å; M308-L312 HydrophobicContact CE-CD1 4.15Å; M308-L312 HydrophobicContact CE-CD2 3.88Å; M308-L312 HydrophobicContact CE-CG 3.99Å; M308-L312 HydrophobicContact CG-CD1 4.27Å; M308-L312 HydrophobicContact CG-CG 4.42Å; M308-L312 WeakPolarHBondContact O-CB 3.37Å; M308-L312 VanDerWaalsContact O-CG 3.25Å; M308-L312 WeakPolarHBondContact O-CG 3.33Å; M308-L312 PolarHBondContact O-N 2.78Å; D309-L312 PolarHBondContact O-N 2.77Å; L312-R318 VanDerWaalsContact O-CZ 3.25Å; L312-R318 PolarHBondContact O-NE 3.39Å; L312-R318 PolarHBondContact O-NH2 2.99Å |
| 313 | S | 83.7 | Confident | 86.3 | Confident | 48 Ų | 48 | 41.7 Ų | 41.7 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -78.7 | -18 | 173 | 79.1 | 0 | 0 | 0 | 0 | 113.8 | L275 D309 L310 Q311 S315 | L275-S313 VanDerWaalsContact CD2-O 3.27Å; L275-S313 WeakPolarHBondContact CD2-O 3.49Å; D309-S313 PolarHBondContact O-N 3.04Å; D309-S313 VanDerWaalsContact O-N 3.08Å; L310-S313 PolarHBondContact O-N 3.19Å; L310-S313 PolarHBondContact O-OG 3.44Å; Q311-S313 PolarHBondContact O-N 2.97Å; S313-S315 PolarHBondContact O-N 2.81Å |
| 314 | D | 85.6 | Confident | 86.8 | Confident | 60 Ų | 60 | 42 Ų | 42 | 32% | 0.321 | 22% | 0.218 | S | C | . | . | trans | -80.1 | 120.2 | 179.2 | -179.6 | 17 | 0 | 0 | 0 | 111.9 | L310 Q311 N316 F317 R318 | L310-D314 PolarHBondContact O-N 3.5Å; L310-D314 VanDerWaalsContact O-N 3.16Å; Q311-D314 PolarHBondContact O-N 2.8Å; D314-N316 VanDerWaalsContact C-N 3.29Å; D314-N316 PolarHBondContact O-N 2.91Å; D314-N316 PolarHBondContact OD1-N 3.22Å; D314-F317 HydrophobicContact CB-CB 3.99Å; D314-F317 PolarHBondContact O-N 2.88Å; D314-F317 PolarHBondContact OD2-N 3.32Å; D314-R318 PolarHBondContact O-N 3.3Å | ||
| 315 | S | 86.9 | Confident | 87.4 | Confident | 19 Ų | 19 | 39.6 Ų | 39.6 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.4 | -40.5 | 172.1 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | S313 R318 R319 P368 | S313-S315 PolarHBondContact O-N 2.81Å; S315-R318 PolarHBondContact O-N 3.34Å; S315-R319 WeakPolarHBondContact O-CG 3.27Å; S315-R319 PolarHBondContact O-N 3.4Å; S315-R319 VanDerWaalsContact O-N 3.09Å; S315-P368 WeakPolarHBondContact CB-O 3.43Å |
| 316 | N | 87.3 | Confident | 88.1 | Confident | 81 Ų | 81 | 39.4 Ų | 39.4 | 43% | 0.433 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.7 | -46.5 | -178.2 | -67.4 | -54.4 | 0 | 0 | 0 | 110 | D314 R318 R319 H320 | D314-N316 VanDerWaalsContact C-N 3.29Å; D314-N316 PolarHBondContact O-N 2.91Å; D314-N316 PolarHBondContact OD1-N 3.22Å; N316-R318 VanDerWaalsContact C-N 3.3Å; N316-R318 PolarHBondContact O-N 3.26Å; N316-R319 WeakPolarHBondContact O-CB 3.48Å; N316-R319 PolarHBondContact O-N 2.76Å; N316-H320 VanDerWaalsContact C-ND1 3.28Å; N316-H320 PolarHBondContact O-CE1 2.92Å; N316-H320 PolarHBondContact O-N 3.22Å; N316-H320 PolarHBondContact O-ND1 3.34Å |
| 317 | F | 89.2 | Confident | 88.8 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 4% | 0.044 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52.1 | -47.6 | 175.1 | -175.9 | -104.8 | 0 | 0 | 0 | 112.3 | F237 W238 F301 Q311 D314 R319 H320 I321 | F237-F317 HydrophobicContact CE1-CE1 4.16Å; F237-F317 AromaticContact CE1-CZ 3.63Å; F237-F317 HydrophobicContact CE1-CZ 3.63Å; F237-F317 HydrophobicContact CE2-CE1 4.4Å; F237-F317 AromaticContact CZ-CE1 3.6Å; F237-F317 HydrophobicContact CZ-CE1 3.6Å; F237-F317 AromaticContact CZ-CZ 3.45Å; F237-F317 HydrophobicContact CZ-CZ 3.45Å; F237-F317 VanDerWaalsContact CZ-CZ 3.45Å; W238-F317 HydrophobicContact CH2-CE2 4.21Å; W238-F317 HydrophobicContact CH2-CZ 4.19Å; F301-F317 HydrophobicContact CD1-CD2 4.29Å; F301-F317 AromaticContact CD1-CE2 3.97Å; F301-F317 HydrophobicContact CD1-CE2 3.97Å; F301-F317 HydrophobicContact CE1-CD2 4.34Å; F301-F317 HydrophobicContact CE1-CE2 4.23Å; Q311-F317 HydrophobicContact CB-CD1 3.87Å; Q311-F317 HydrophobicContact CB-CD2 4.28Å; Q311-F317 HydrophobicContact CB-CE1 3.91Å; Q311-F317 HydrophobicContact CB-CE2 4.33Å; Q311-F317 HydrophobicContact CB-CG 4.04Å; Q311-F317 HydrophobicContact CB-CZ 4.12Å; Q311-F317 WeakPolarHBondContact O-CB 3.41Å; Q311-F317 WeakPolarHBondContact O-CD1 3.35Å; D314-F317 HydrophobicContact CB-CB 3.99Å; D314-F317 PolarHBondContact O-N 2.88Å; D314-F317 PolarHBondContact OD2-N 3.32Å; F317-R319 PolarHBondContact O-N 3.17Å; F317-H320 WeakPolarHBondContact O-CB 3.49Å; F317-H320 PolarHBondContact O-N 3.24Å; F317-I321 HydrophobicContact CE1-CG1 4.33Å; F317-I321 HydrophobicContact CZ-CD1 4.46Å; F317-I321 HydrophobicContact CZ-CG1 4.38Å; F317-I321 WeakPolarHBondContact O-CG1 3.46Å; F317-I321 PolarHBondContact O-N 3.47Å |
| 318 | R | 89.5 | Confident | 89.3 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 3% | 0.03 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 174.6 | -68.3 | -174.8 | -176.2 | -136.8 | -18.7 | 113 | F270 F273 L312 D314 S315 N316 H320 I321 L322 | F270-R318 HydrophobicContact CD1-CG 4.44Å; F270-R318 HydrophobicContact CE1-CG 4.15Å; F270-R318 HydrophobicContact CZ-CG 4.46Å; F270-R318 PolarHBondContact O-NH1 2.96Å; F273-R318 PolarHBondContact O-NH1 3.39Å; F273-R318 PolarHBondContact O-NH2 3.43Å; L312-R318 VanDerWaalsContact O-CZ 3.25Å; L312-R318 PolarHBondContact O-NE 3.39Å; L312-R318 PolarHBondContact O-NH2 2.99Å; D314-R318 PolarHBondContact O-N 3.3Å; S315-R318 PolarHBondContact O-N 3.34Å; N316-R318 VanDerWaalsContact C-N 3.3Å; N316-R318 PolarHBondContact O-N 3.26Å; R318-H320 VanDerWaalsContact C-N 3.32Å; R318-H320 PolarHBondContact O-N 3.36Å; R318-I321 PolarHBondContact O-N 2.8Å; R318-L322 WeakPolarHBondContact O-CB 3.27Å; R318-L322 VanDerWaalsContact O-CG 3.26Å; R318-L322 WeakPolarHBondContact O-CG 3.43Å; R318-L322 PolarHBondContact O-N 3.04Å |
| 319 | R | 91.4 | Very high | 89.9 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 9% | 0.087 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.4 | -43.9 | 176.5 | -73.1 | 170.7 | 179.4 | -166.3 | -9.1 | 111.6 | S315 N316 F317 I321 L322 L323 L364 T367 P368 P369 F374 | S315-R319 WeakPolarHBondContact O-CG 3.27Å; S315-R319 PolarHBondContact O-N 3.4Å; S315-R319 VanDerWaalsContact O-N 3.09Å; N316-R319 WeakPolarHBondContact O-CB 3.48Å; N316-R319 PolarHBondContact O-N 2.76Å; F317-R319 PolarHBondContact O-N 3.17Å; R319-I321 VanDerWaalsContact C-N 3.34Å; R319-I321 PolarHBondContact O-N 3.02Å; R319-L322 PolarHBondContact O-N 3.03Å; R319-L323 WeakPolarHBondContact O-CB 3.47Å; R319-L323 WeakPolarHBondContact O-CG 3.41Å; R319-L323 PolarHBondContact O-N 3.27Å; R319-L364 HydrophobicContact CG-CD2 4.2Å; R319-T367 HydrophobicContact CG-CG2 4.12Å; R319-T367 PolarHBondContact NH2-O 3.49Å; R319-P368 VanDerWaalsContact NH2-C 3.3Å; R319-P368 PolarHBondContact NH2-O 3.36Å; R319-P369 PolarHBondContact NH2-O 3.38Å; R319-F374 HydrophobicContact CB-CE1 4.17Å; R319-F374 HydrophobicContact CB-CZ 4.21Å; R319-F374 HydrophobicContact CG-CD1 4.45Å; R319-F374 HydrophobicContact CG-CE1 3.96Å; R319-F374 HydrophobicContact CG-CZ 4.28Å |
| 320 | H | 92.3 | Very high | 90.4 | Very high | 96 Ų | 96 | 33.8 Ų | 33.8 | 44% | 0.444 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.5 | -45.5 | 177.9 | -64 | 109.7 | 0 | 0 | 0 | 111.8 | F301 N316 F317 R318 Q324 | F301-H320 HydrophobicContact CE1-CB 4.25Å; F301-H320 HydrophobicContact CZ-CB 4.31Å; N316-H320 VanDerWaalsContact C-ND1 3.28Å; N316-H320 PolarHBondContact O-CE1 2.92Å; N316-H320 PolarHBondContact O-N 3.22Å; N316-H320 PolarHBondContact O-ND1 3.34Å; F317-H320 WeakPolarHBondContact O-CB 3.49Å; F317-H320 PolarHBondContact O-N 3.24Å; R318-H320 VanDerWaalsContact C-N 3.32Å; R318-H320 PolarHBondContact O-N 3.36Å; H320-Q324 WeakPolarHBondContact O-CG 3.4Å; H320-Q324 PolarHBondContact O-N 2.97Å |
| 321 | I | 92.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.3 | -46.2 | -179.5 | -57.8 | -62 | 0 | 0 | 0 | 111.5 | F237 F270 F301 F317 R318 R319 L323 Q324 Y325 | F237-I321 HydrophobicContact CE1-CD1 4.39Å; F237-I321 HydrophobicContact CE2-CD1 4.4Å; F237-I321 HydrophobicContact CE2-CG1 4.27Å; F237-I321 HydrophobicContact CE2-CG2 4.35Å; F237-I321 HydrophobicContact CZ-CD1 3.65Å; F237-I321 HydrophobicContact CZ-CG1 3.79Å; F270-I321 HydrophobicContact CE2-CB 4.25Å; F270-I321 HydrophobicContact CE2-CG2 3.91Å; F270-I321 HydrophobicContact CZ-CB 4.37Å; F270-I321 HydrophobicContact CZ-CG2 4.24Å; F301-I321 HydrophobicContact CZ-CD1 4.43Å; F317-I321 HydrophobicContact CE1-CG1 4.33Å; F317-I321 HydrophobicContact CZ-CD1 4.46Å; F317-I321 HydrophobicContact CZ-CG1 4.38Å; F317-I321 WeakPolarHBondContact O-CG1 3.46Å; F317-I321 PolarHBondContact O-N 3.47Å; R318-I321 PolarHBondContact O-N 2.8Å; R319-I321 VanDerWaalsContact C-N 3.34Å; R319-I321 PolarHBondContact O-N 3.02Å; I321-L323 VanDerWaalsContact C-N 3.3Å; I321-L323 PolarHBondContact O-N 2.98Å; I321-Q324 WeakPolarHBondContact O-CB 3.42Å; I321-Q324 PolarHBondContact O-N 2.91Å; I321-Q324 VanDerWaalsContact O-N 3.12Å; I321-Y325 HydrophobicContact CG2-CD2 4.1Å; I321-Y325 HydrophobicContact CG2-CE2 3.89Å; I321-Y325 WeakPolarHBondContact O-CD2 3.32Å; I321-Y325 PolarHBondContact O-N 3.22Å |
| 322 | L | 93.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -37.5 | 177.8 | -67.9 | 173.1 | 0 | 0 | 0 | 111.6 | L267 F270 R318 R319 Y325 L326 V360 L363 L364 | L267-L322 HydrophobicContact CD2-CD2 3.93Å; F270-L322 HydrophobicContact CD2-CD2 4.1Å; F270-L322 HydrophobicContact CE2-CD2 4.44Å; R318-L322 WeakPolarHBondContact O-CB 3.27Å; R318-L322 VanDerWaalsContact O-CG 3.26Å; R318-L322 WeakPolarHBondContact O-CG 3.43Å; R318-L322 PolarHBondContact O-N 3.04Å; R319-L322 PolarHBondContact O-N 3.03Å; L322-Y325 WeakPolarHBondContact O-CB 3.41Å; L322-Y325 PolarHBondContact O-N 3.36Å; L322-L326 PolarHBondContact O-N 2.91Å; L322-L326 VanDerWaalsContact O-N 3.12Å; L322-V360 HydrophobicContact CB-CG1 3.98Å; L322-V360 HydrophobicContact CD2-CB 4.48Å; L322-V360 HydrophobicContact CD2-CG1 3.99Å; L322-V360 HydrophobicContact CD2-CG2 4.24Å; L322-V360 WeakPolarHBondContact O-CG1 3.08Å; L322-L363 HydrophobicContact CD1-CB 3.95Å; L322-L363 HydrophobicContact CD2-CB 4.28Å; L322-L363 HydrophobicContact CD2-CD1 4.15Å; L322-L364 HydrophobicContact CB-CD1 4.4Å; L322-L364 HydrophobicContact CB-CD2 3.67Å; L322-L364 HydrophobicContact CB-CG 3.9Å; L322-L364 HydrophobicContact CD1-CD2 3.76Å; L322-L364 HydrophobicContact CD1-CG 3.94Å; L322-L364 HydrophobicContact CG-CD2 4.38Å |
| 323 | L | 95.3 | Very high | 91.1 | Very high | 43 Ų | 43 | 34.1 Ų | 34.1 | 23% | 0.225 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 171.6 | -77.5 | 173.7 | 0 | 0 | 0 | 112.3 | R319 I321 Y325 L326 I327 F374 V378 | R319-L323 WeakPolarHBondContact O-CB 3.47Å; R319-L323 WeakPolarHBondContact O-CG 3.41Å; R319-L323 PolarHBondContact O-N 3.27Å; I321-L323 VanDerWaalsContact C-N 3.3Å; I321-L323 PolarHBondContact O-N 2.98Å; L323-Y325 VanDerWaalsContact C-N 3.27Å; L323-Y325 PolarHBondContact O-N 2.89Å; L323-L326 PolarHBondContact O-N 2.57Å; L323-L326 VanDerWaalsContact O-N 3.14Å; L323-I327 WeakPolarHBondContact O-CG1 3.4Å; L323-I327 PolarHBondContact O-N 2.84Å; L323-F374 HydrophobicContact CD1-CE1 4.36Å; L323-F374 HydrophobicContact CD1-CZ 3.91Å; L323-F374 HydrophobicContact CD2-CE1 4.42Å; L323-F374 HydrophobicContact CG-CE1 4.41Å; L323-F374 HydrophobicContact CG-CZ 4.44Å; L323-V378 HydrophobicContact CD2-CB 4.27Å; L323-V378 HydrophobicContact CD2-CG1 3.63Å; L323-V378 HydrophobicContact CD2-CG2 3.55Å |
| 324 | Q | 94.6 | Very high | 91.1 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -38.1 | 175.8 | -75.4 | 178.7 | 12.4 | 0 | 0 | 111.8 | F244 H320 I321 L328 | F244-Q324 HydrophobicContact CD1-CB 3.98Å; F244-Q324 HydrophobicContact CD2-CB 4.31Å; F244-Q324 VanDerWaalsContact CD2-OE1 3.24Å; F244-Q324 HydrophobicContact CE1-CB 4.11Å; F244-Q324 HydrophobicContact CE2-CB 4.43Å; F244-Q324 HydrophobicContact CG-CB 4.11Å; F244-Q324 HydrophobicContact CZ-CB 4.34Å; H320-Q324 WeakPolarHBondContact O-CG 3.4Å; H320-Q324 PolarHBondContact O-N 2.97Å; I321-Q324 WeakPolarHBondContact O-CB 3.42Å; I321-Q324 PolarHBondContact O-N 2.91Å; I321-Q324 VanDerWaalsContact O-N 3.12Å; Q324-L328 VanDerWaalsContact O-CB 3.25Å; Q324-L328 WeakPolarHBondContact O-CB 3.4Å; Q324-L328 PolarHBondContact O-N 2.66Å |
| 325 | Y | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 171.1 | -84.5 | -71.7 | 0 | 0 | 0 | 112.2 | L240 F244 F259 S263 L267 I321 L322 L323 I327 L328 F329 | L240-Y325 WeakPolarHBondContact CD1-OH 3.44Å; F244-Y325 AromaticContact CE1-CD1 3.93Å; F244-Y325 HydrophobicContact CE1-CD1 3.93Å; F244-Y325 HydrophobicContact CE1-CD2 4.44Å; F244-Y325 HydrophobicContact CE1-CE1 4.16Å; F244-Y325 HydrophobicContact CE1-CG 4.08Å; F244-Y325 HydrophobicContact CE2-CE2 4.43Å; F244-Y325 AromaticContact CZ-CD1 3.83Å; F244-Y325 HydrophobicContact CZ-CD1 3.83Å; F244-Y325 AromaticContact CZ-CD2 3.8Å; F244-Y325 HydrophobicContact CZ-CD2 3.8Å; F244-Y325 AromaticContact CZ-CE1 3.72Å; F244-Y325 HydrophobicContact CZ-CE1 3.72Å; F244-Y325 AromaticContact CZ-CE2 3.69Å; F244-Y325 HydrophobicContact CZ-CE2 3.69Å; F244-Y325 AromaticContact CZ-CG 3.86Å; F244-Y325 HydrophobicContact CZ-CG 3.86Å; F244-Y325 AromaticContact CZ-CZ 3.65Å; F259-Y325 HydrophobicContact CE2-CE1 4.26Å; F259-Y325 HydrophobicContact CZ-CD1 4.39Å; F259-Y325 AromaticContact CZ-CE1 3.93Å; F259-Y325 HydrophobicContact CZ-CE1 3.93Å; S263-Y325 WeakPolarHBondContact CA-OH 3.3Å; S263-Y325 WeakPolarHBondContact CB-OH 3.38Å; S263-Y325 WeakPolarHBondContact OG-CE1 3.46Å; S263-Y325 PolarHBondContact OG-OH 3.22Å; S263-Y325 VanDerWaalsContact OG-OH 3.06Å; L267-Y325 HydrophobicContact CD2-CD2 4.48Å; L267-Y325 HydrophobicContact CD2-CE2 4.25Å; I321-Y325 HydrophobicContact CG2-CD2 4.1Å; I321-Y325 HydrophobicContact CG2-CE2 3.89Å; I321-Y325 WeakPolarHBondContact O-CD2 3.32Å; I321-Y325 PolarHBondContact O-N 3.22Å; L322-Y325 WeakPolarHBondContact O-CB 3.41Å; L322-Y325 PolarHBondContact O-N 3.36Å; L323-Y325 VanDerWaalsContact C-N 3.27Å; L323-Y325 PolarHBondContact O-N 2.89Å; Y325-I327 PolarHBondContact O-N 3.45Å; Y325-L328 PolarHBondContact O-N 3.05Å; Y325-F329 HydrophobicContact CD1-CE1 4.1Å; Y325-F329 HydrophobicContact CD1-CE2 4.22Å; Y325-F329 AromaticContact CD1-CZ 3.63Å; Y325-F329 HydrophobicContact CD1-CZ 3.63Å; Y325-F329 HydrophobicContact CE1-CZ 4.41Å; Y325-F329 HydrophobicContact CG-CZ 4.43Å; Y325-F329 WeakPolarHBondContact O-CB 3.35Å; Y325-F329 WeakPolarHBondContact O-CD2 3.45Å; Y325-F329 WeakPolarHBondContact O-CG 3.36Å; Y325-F329 PolarHBondContact O-N 2.91Å |
| 326 | L | 95.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | -180 | -66.7 | 179 | 0 | 0 | 0 | 112.3 | L322 L323 L328 F329 Q330 T357 V360 Y361 L364 V378 L382 | L322-L326 PolarHBondContact O-N 2.91Å; L322-L326 VanDerWaalsContact O-N 3.12Å; L323-L326 PolarHBondContact O-N 2.57Å; L323-L326 VanDerWaalsContact O-N 3.14Å; L326-L328 VanDerWaalsContact C-N 3.34Å; L326-L328 PolarHBondContact O-N 3.05Å; L326-F329 PolarHBondContact O-N 3.48Å; L326-Q330 WeakPolarHBondContact O-CB 3.25Å; L326-Q330 PolarHBondContact O-N 3.1Å; L326-T357 HydrophobicContact CD2-CG2 3.99Å; L326-V360 HydrophobicContact CD1-CG1 4.23Å; L326-V360 HydrophobicContact CD2-CB 4.19Å; L326-V360 HydrophobicContact CD2-CG1 3.69Å; L326-V360 HydrophobicContact CG-CG1 3.69Å; L326-Y361 HydrophobicContact CD1-CD1 4.49Å; L326-Y361 HydrophobicContact CD1-CE1 4.03Å; L326-Y361 HydrophobicContact CD1-CE2 4.46Å; L326-Y361 HydrophobicContact CD2-CD2 4.13Å; L326-Y361 HydrophobicContact CD2-CE2 3.81Å; L326-L364 HydrophobicContact CD1-CD1 3.57Å; L326-V378 HydrophobicContact CD1-CG1 3.65Å; L326-L382 HydrophobicContact CB-CD1 3.93Å; L326-L382 HydrophobicContact CD1-CD1 4.18Å |
| 327 | I | 94.8 | Very high | 89.8 | Confident | 84 Ų | 84 | 40.6 Ų | 40.6 | 43% | 0.431 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 177.1 | -65.8 | 165.6 | 0 | 0 | 0 | 110.4 | L323 Y325 Y331 L382 | L323-I327 WeakPolarHBondContact O-CG1 3.4Å; L323-I327 PolarHBondContact O-N 2.84Å; Y325-I327 PolarHBondContact O-N 3.45Å; I327-Y331 WeakPolarHBondContact O-CB 3.12Å; I327-Y331 PolarHBondContact O-N 3.22Å; I327-L382 HydrophobicContact CG1-CD2 4.33Å |
| 328 | L | 94.1 | Very high | 88.9 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 176.4 | 176.4 | 63.8 | 0 | 0 | 0 | 111.3 | F244 P247 F259 Q324 Y325 L326 Y331 L332 | F244-L328 HydrophobicContact CD1-CB 4.12Å; F244-L328 HydrophobicContact CD1-CD2 3.72Å; F244-L328 HydrophobicContact CD1-CG 4.48Å; F244-L328 HydrophobicContact CE1-CB 4.26Å; F244-L328 HydrophobicContact CE1-CD2 3.7Å; P247-L328 HydrophobicContact CB-CD1 3.45Å; P247-L328 VanDerWaalsContact CB-CD1 3.45Å; F259-L328 HydrophobicContact CE1-CD2 4.46Å; F259-L328 HydrophobicContact CE2-CD2 3.83Å; F259-L328 HydrophobicContact CZ-CD2 3.57Å; Q324-L328 VanDerWaalsContact O-CB 3.25Å; Q324-L328 WeakPolarHBondContact O-CB 3.4Å; Q324-L328 PolarHBondContact O-N 2.66Å; Y325-L328 PolarHBondContact O-N 3.05Å; L326-L328 VanDerWaalsContact C-N 3.34Å; L326-L328 PolarHBondContact O-N 3.05Å; L328-Y331 PolarHBondContact O-N 3.13Å; L328-L332 HydrophobicContact CD1-CD1 4.09Å; L328-L332 HydrophobicContact CD1-CG 4.05Å; L328-L332 HydrophobicContact CG-CD1 3.98Å; L328-L332 HydrophobicContact CG-CG 4.33Å; L328-L332 WeakPolarHBondContact O-CB 3.27Å; L328-L332 VanDerWaalsContact O-CG 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.18Å; L328-L332 PolarHBondContact O-N 3.25Å |
| 329 | F | 93.6 | Very high | 88.4 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | -179.8 | -65.6 | -20.1 | 0 | 0 | 0 | 112.2 | F259 Y325 L326 Y331 L332 K333 W352 I353 T356 T357 V360 | F259-F329 HydrophobicContact CE1-CE1 4.44Å; F259-F329 HydrophobicContact CZ-CE1 4.38Å; Y325-F329 HydrophobicContact CD1-CE1 4.1Å; Y325-F329 HydrophobicContact CD1-CE2 4.22Å; Y325-F329 AromaticContact CD1-CZ 3.63Å; Y325-F329 HydrophobicContact CD1-CZ 3.63Å; Y325-F329 HydrophobicContact CE1-CZ 4.41Å; Y325-F329 HydrophobicContact CG-CZ 4.43Å; Y325-F329 WeakPolarHBondContact O-CB 3.35Å; Y325-F329 WeakPolarHBondContact O-CD2 3.45Å; Y325-F329 WeakPolarHBondContact O-CG 3.36Å; Y325-F329 PolarHBondContact O-N 2.91Å; L326-F329 PolarHBondContact O-N 3.48Å; F329-Y331 VanDerWaalsContact C-N 3.35Å; F329-L332 PolarHBondContact O-N 2.94Å; F329-K333 WeakPolarHBondContact O-CB 3.42Å; F329-K333 PolarHBondContact O-N 3.35Å; F329-W352 HydrophobicContact CE1-CH2 4.4Å; F329-W352 AromaticContact CE1-CZ3 3.94Å; F329-W352 HydrophobicContact CE1-CZ3 3.94Å; F329-W352 HydrophobicContact CZ-CH2 4.29Å; F329-W352 HydrophobicContact CZ-CZ3 4.13Å; F329-I353 HydrophobicContact CB-CG2 3.72Å; F329-I353 HydrophobicContact CD1-CG1 4.29Å; F329-I353 HydrophobicContact CD1-CG2 3.97Å; F329-I353 HydrophobicContact CD2-CG2 4.3Å; F329-I353 HydrophobicContact CG-CG2 3.75Å; F329-T356 HydrophobicContact CE2-CG2 3.82Å; F329-T356 HydrophobicContact CZ-CG2 3.68Å; F329-T357 VanDerWaalsContact CD2-OG1 3.28Å; F329-T357 WeakPolarHBondContact CD2-OG1 3.44Å; F329-V360 HydrophobicContact CE2-CG2 4.38Å |
| 330 | Q | 91.6 | Very high | 87.6 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 173.9 | -175 | 174.6 | 1.5 | 0 | 0 | 111.3 | L326 G334 L382 | L326-Q330 WeakPolarHBondContact O-CB 3.25Å; L326-Q330 PolarHBondContact O-N 3.1Å; Q330-G334 WeakPolarHBondContact O-CA 3.31Å; Q330-G334 PolarHBondContact O-N 3.42Å; Q330-L382 PolarHBondContact NE2-O 3.29Å; Q330-L382 VanDerWaalsContact OE1-CB 3.27Å |
| 331 | Y | 90.7 | Very high | 86.6 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 18% | 0.184 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 174.6 | 171.8 | -99.9 | 0 | 0 | 0 | 111.6 | F180 P247 I327 L328 F329 K333 G334 V336 K339 | F180-Y331 HydrophobicContact CE2-CE2 4.49Å; F180-Y331 AromaticContact CE2-CZ 3.99Å; F180-Y331 HydrophobicContact CZ-CD2 4.32Å; F180-Y331 AromaticContact CZ-CE1 3.99Å; F180-Y331 HydrophobicContact CZ-CE1 3.99Å; F180-Y331 AromaticContact CZ-CE2 3.65Å; F180-Y331 HydrophobicContact CZ-CE2 3.65Å; F180-Y331 AromaticContact CZ-CZ 3.45Å; F180-Y331 VanDerWaalsContact CZ-CZ 3.45Å; P247-Y331 HydrophobicContact CB-CD1 3.64Å; P247-Y331 HydrophobicContact CB-CE1 3.64Å; P247-Y331 HydrophobicContact CG-CD1 3.84Å; P247-Y331 HydrophobicContact CG-CE1 3.59Å; I327-Y331 WeakPolarHBondContact O-CB 3.12Å; I327-Y331 PolarHBondContact O-N 3.22Å; L328-Y331 PolarHBondContact O-N 3.13Å; F329-Y331 VanDerWaalsContact C-N 3.35Å; Y331-K333 VanDerWaalsContact C-N 3.32Å; Y331-K333 PolarHBondContact O-N 3.17Å; Y331-G334 PolarHBondContact O-N 3.38Å; Y331-V336 HydrophobicContact CE2-CG2 4.32Å; Y331-K339 PolarHBondContact O-NZ 3.49Å; Y331-K339 WeakPolarHBondContact OH-CE 3.27Å |
| 332 | L | 89 | Confident | 85.6 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -38.1 | -176.8 | -72.5 | 176.7 | 0 | 0 | 0 | 112.2 | C250 Y251 W256 L328 F329 L345 I353 | C250-L332 HydrophobicContact CB-CD1 4.26Å; C250-L332 HydrophobicContact CB-CD2 3.99Å; Y251-L332 HydrophobicContact CE1-CD2 4.4Å; Y251-L332 HydrophobicContact CE2-CD2 3.94Å; Y251-L332 PolarHBondContact OH-O 3.29Å; W256-L332 HydrophobicContact CZ3-CD1 4.05Å; L328-L332 HydrophobicContact CD1-CD1 4.09Å; L328-L332 HydrophobicContact CD1-CG 4.05Å; L328-L332 HydrophobicContact CG-CD1 3.98Å; L328-L332 HydrophobicContact CG-CG 4.33Å; L328-L332 WeakPolarHBondContact O-CB 3.27Å; L328-L332 VanDerWaalsContact O-CG 3.31Å; L328-L332 WeakPolarHBondContact O-CG 3.18Å; L328-L332 PolarHBondContact O-N 3.25Å; F329-L332 PolarHBondContact O-N 2.94Å; L332-L345 HydrophobicContact CB-CD1 4.15Å; L332-I353 HydrophobicContact CB-CD1 4.34Å; L332-I353 HydrophobicContact CD1-CD1 4.28Å |
| 333 | K | 86.6 | Confident | 84.9 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -78.5 | -30.3 | 175.4 | -73.2 | -175.1 | 155.6 | -152.7 | 0 | 114.1 | F329 Y331 I353 E354 | F329-K333 WeakPolarHBondContact O-CB 3.42Å; F329-K333 PolarHBondContact O-N 3.35Å; Y331-K333 VanDerWaalsContact C-N 3.32Å; Y331-K333 PolarHBondContact O-N 3.17Å; K333-I353 HydrophobicContact CD-CG2 4.08Å; K333-I353 HydrophobicContact CG-CG2 4.36Å; K333-E354 IonicContact NZ-OE1 3.84Å; K333-E354 PolarHBondContact NZ-OE1 3.01Å |
| 334 | G | 83.9 | Confident | 84.3 | Confident | 21 Ų | 21 | 59 Ų | 59 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -69.7 | 140.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q330 Y331 K339 | Q330-G334 WeakPolarHBondContact O-CA 3.31Å; Q330-G334 PolarHBondContact O-N 3.42Å; Y331-G334 PolarHBondContact O-N 3.38Å; G334-K339 PolarHBondContact O-NZ 3.49Å |
| 335 | Q | 77.2 | Confident | 83.8 | Confident | 172 Ų | 172 | 58.2 Ų | 58.2 | 80% | 0.804 | 32% | 0.316 | S | S | * | . | trans | -80.2 | 129.1 | 169 | -64.8 | -169.4 | -7.1 | 0 | 0 | 109.9 | N389 N393 | Q335-N389 PolarHBondContact O-ND2 3.45Å; Q335-N393 PolarHBondContact O-ND2 3.47Å | ||
| 336 | V | 79.4 | Confident | 83.5 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 12% | 0.121 | 34% | 0.341 | C | S | . | . | trans | -131.5 | 126.8 | 178.4 | 178.5 | 0 | 0 | 0 | 0 | 107.5 | Y331 F338 K339 | Y331-V336 HydrophobicContact CE2-CG2 4.32Å; V336-F338 PolarHBondContact O-N 3.43Å; V336-K339 HydrophobicContact CB-CD 3.87Å; V336-K339 HydrophobicContact CB-CG 3.89Å; V336-K339 HydrophobicContact CG2-CD 4.21Å; V336-K339 WeakPolarHBondContact O-CB 3.36Å; V336-K339 PolarHBondContact O-N 2.87Å | ||
| 337 | K | 74.8 | Confident | 83.2 | Confident | 131 Ų | 131 | 69.5 Ų | 69.5 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.8 | -173.2 | -178.9 | 171.1 | -178.5 | 173.6 | 0 | 115 | N393 | K337-N393 HydrophobicContact CB-CB 4.48Å; K337-N393 WeakPolarHBondContact CB-OD1 3.44Å; K337-N393 VanDerWaalsContact CD-O 3.26Å; K337-N393 WeakPolarHBondContact CD-O 3.39Å; K337-N393 PolarHBondContact N-OD1 2.91Å; K337-N393 PolarHBondContact NZ-O 2.71Å |
| 338 | F | 71.9 | Confident | 83 | Confident | 108 Ų | 108 | 72 Ų | 72 | 47% | 0.474 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 7.2 | -177.4 | -62 | -80.8 | 0 | 0 | 0 | 114 | L176 V336 | L176-F338 WeakPolarHBondContact O-CD2 3.15Å; L176-F338 WeakPolarHBondContact O-CE2 3.49Å; V336-F338 PolarHBondContact O-N 3.43Å |
| 339 | K | 78.6 | Confident | 82.8 | Confident | 43 Ų | 43 | 73 Ų | 73 | 19% | 0.187 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -69.2 | 141.2 | 170.5 | -83.6 | 174.8 | 179 | -168.5 | 0 | 110.5 | Y251 Y331 G334 V336 | Y251-K339 PolarHBondContact OH-NZ 3.22Å; Y331-K339 PolarHBondContact O-NZ 3.49Å; Y331-K339 WeakPolarHBondContact OH-CE 3.27Å; G334-K339 PolarHBondContact O-NZ 3.49Å; V336-K339 HydrophobicContact CB-CD 3.87Å; V336-K339 HydrophobicContact CB-CG 3.89Å; V336-K339 HydrophobicContact CG2-CD 4.21Å; V336-K339 WeakPolarHBondContact O-CB 3.36Å; V336-K339 PolarHBondContact O-N 2.87Å |
| 340 | S | 74.4 | Confident | 82.6 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 53% | 0.531 | 41% | 0.405 | S | S | . | . | trans | -65.9 | 146.9 | 173.3 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | S342 C343 | S340-S342 PolarHBondContact O-N 3Å; S340-C343 WeakPolarHBondContact O-CB 3.49Å; S340-C343 PolarHBondContact O-N 3.42Å | ||
| 341 | S | 70.6 | Confident | 82.7 | Confident | 124 Ų | 124 | 75.2 Ų | 75.2 | 87% | 0.867 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -15.1 | 177.5 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 342 | S | 71.6 | Confident | 82.9 | Confident | 95 Ų | 95 | 74.9 Ų | 74.9 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -12.2 | 174 | 53 | 0 | 0 | 0 | 0 | 114.5 | S340 V344 | S340-S342 PolarHBondContact O-N 3Å; S342-V344 VanDerWaalsContact C-N 3.27Å; S342-V344 PolarHBondContact O-N 2.92Å |
| 343 | C | 79.4 | Confident | 83.2 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 16% | 0.155 | 42% | 0.416 | C | S | . | . | trans | -86.8 | 61.2 | -177.2 | -65.1 | 0 | 0 | 0 | 0 | 111.5 | Y251 S340 | Y251-C343 HydrophobicContact CD1-CB 4.03Å; Y251-C343 HydrophobicContact CD2-CB 3.9Å; Y251-C343 HydrophobicContact CE1-CB 3.87Å; Y251-C343 WeakPolarHBondContact CE1-O 3.39Å; Y251-C343 HydrophobicContact CE2-CB 3.73Å; Y251-C343 HydrophobicContact CG-CB 4.05Å; S340-C343 WeakPolarHBondContact O-CB 3.49Å; S340-C343 PolarHBondContact O-N 3.42Å | ||
| 344 | V | 82.6 | Confident | 83.5 | Confident | 101 Ų | 101 | 74.7 Ų | 74.7 | 61% | 0.612 | 42% | 0.417 | S | S | * | . | trans | -112.7 | 138.6 | 179.8 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | S342 | S342-V344 VanDerWaalsContact C-N 3.27Å; S342-V344 PolarHBondContact O-N 2.92Å | ||
| 345 | L | 84.8 | Confident | 84.1 | Confident | 26 Ų | 26 | 80.4 Ų | 80.4 | 14% | 0.136 | 44% | 0.439 | C | S | . | . | trans | -91 | 145.9 | 174.7 | -62.8 | 174.9 | 0 | 0 | 0 | 110.5 | Y251 L332 Q349 I353 | Y251-L345 HydrophobicContact CD1-CD2 4.14Å; Y251-L345 HydrophobicContact CE1-CD2 3.85Å; Y251-L345 HydrophobicContact CE1-CG 4.15Å; L332-L345 HydrophobicContact CB-CD1 4.15Å; L345-Q349 HydrophobicContact CB-CB 4.45Å; L345-Q349 HydrophobicContact CD2-CB 4.49Å; L345-I353 HydrophobicContact CD1-CD1 3.68Å | ||
| 346 | N | 88.1 | Confident | 84.9 | Confident | 99 Ų | 99 | 72.5 Ų | 72.5 | 53% | 0.529 | 40% | 0.402 | S | S | . | . | trans | -78 | 163.3 | 170 | -64 | 4.3 | 0 | 0 | 0 | 111 | D348 Q349 S350 | N346-D348 VanDerWaalsContact C-N 3.34Å; N346-D348 PolarHBondContact O-N 3.01Å; N346-Q349 HydrophobicContact CB-CG 4.22Å; N346-Q349 PolarHBondContact O-N 3.14Å; N346-Q349 VanDerWaalsContact O-N 3.17Å; N346-S350 PolarHBondContact O-N 3.39Å; N346-S350 PolarHBondContact O-OG 3.02Å | ||
| 347 | D | 89.9 | Confident | 85.6 | Confident | 142 Ų | 142 | 73 Ų | 73 | 76% | 0.759 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.5 | -42.8 | 178.8 | -64.2 | -25.2 | 0 | 0 | 0 | 112.1 | Q349 S350 A351 | D347-Q349 VanDerWaalsContact C-N 3.32Å; D347-Q349 PolarHBondContact O-N 2.87Å; D347-S350 PolarHBondContact O-N 3.32Å; D347-A351 WeakPolarHBondContact O-CB 3.09Å; D347-A351 PolarHBondContact O-N 2.93Å |
| 348 | D | 89.6 | Confident | 86.6 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 73% | 0.733 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.3 | -39.8 | 176.8 | -63.4 | -25.6 | 0 | 0 | 0 | 112.4 | N346 W352 | N346-D348 VanDerWaalsContact C-N 3.34Å; N346-D348 PolarHBondContact O-N 3.01Å; D348-W352 PolarHBondContact O-N 2.93Å |
| 349 | Q | 89.7 | Confident | 87.7 | Confident | 28 Ų | 28 | 70.8 Ų | 70.8 | 13% | 0.131 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 177.9 | -61.2 | -179.9 | -53.1 | 0 | 0 | 110.5 | W256 L345 N346 D347 W352 I353 | W256-Q349 VanDerWaalsContact CG-NE2 3.34Å; W256-Q349 HydrophobicContact CZ2-CB 3.88Å; W256-Q349 HydrophobicContact CZ2-CG 4.09Å; L345-Q349 HydrophobicContact CB-CB 4.45Å; L345-Q349 HydrophobicContact CD2-CB 4.49Å; N346-Q349 HydrophobicContact CB-CG 4.22Å; N346-Q349 PolarHBondContact O-N 3.14Å; N346-Q349 VanDerWaalsContact O-N 3.17Å; D347-Q349 VanDerWaalsContact C-N 3.32Å; D347-Q349 PolarHBondContact O-N 2.87Å; Q349-W352 PolarHBondContact O-N 3.41Å; Q349-I353 VanDerWaalsContact O-CG1 3.28Å; Q349-I353 WeakPolarHBondContact O-CG1 3.5Å; Q349-I353 PolarHBondContact O-N 3.49Å |
| 350 | S | 90.8 | Very high | 88.5 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 177.9 | -59 | 0 | 0 | 0 | 0 | 111.6 | N346 D347 I353 E354 | N346-S350 PolarHBondContact O-N 3.39Å; N346-S350 PolarHBondContact O-OG 3.02Å; D347-S350 PolarHBondContact O-N 3.32Å; S350-I353 PolarHBondContact O-N 2.94Å; S350-E354 WeakPolarHBondContact O-CG 3.46Å; S350-E354 PolarHBondContact O-N 3.49Å; S350-E354 VanDerWaalsContact O-N 3.09Å |
| 351 | A | 93.4 | Very high | 89.5 | Confident | 55 Ų | 55 | 67 Ų | 67 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D347 I353 E354 E355 | D347-A351 WeakPolarHBondContact O-CB 3.09Å; D347-A351 PolarHBondContact O-N 2.93Å; A351-I353 VanDerWaalsContact C-N 3.34Å; A351-I353 PolarHBondContact O-N 3.13Å; A351-E354 WeakPolarHBondContact O-CB 3.34Å; A351-E354 PolarHBondContact O-N 3.34Å; A351-E354 VanDerWaalsContact O-N 3.17Å; A351-E355 PolarHBondContact O-N 3.35Å |
| 352 | W | 94.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 65.3 Ų | 65.3 | 15% | 0.148 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 175.7 | 179.3 | 87.5 | 0 | 0 | 0 | 112.1 | W256 F259 L260 F329 D348 Q349 E354 E355 T356 | W256-W352 AromaticContact CH2-CE3 3.98Å; W256-W352 HydrophobicContact CH2-CE3 3.98Å; W256-W352 AromaticContact CH2-CZ3 3.94Å; W256-W352 HydrophobicContact CH2-CZ3 3.94Å; W256-W352 AromaticContact CZ2-CE3 3.84Å; W256-W352 HydrophobicContact CZ2-CE3 3.84Å; W256-W352 HydrophobicContact CZ2-CZ3 4.18Å; F259-W352 HydrophobicContact CD1-CH2 4.46Å; F259-W352 AromaticContact CE1-CH2 3.87Å; F259-W352 HydrophobicContact CE1-CH2 3.87Å; F259-W352 AromaticContact CE1-CZ3 3.92Å; F259-W352 HydrophobicContact CE1-CZ3 3.92Å; L260-W352 HydrophobicContact CD2-CD2 3.24Å; L260-W352 HydrophobicContact CD2-CE3 3.5Å; L260-W352 HydrophobicContact CD2-CG 3.84Å; L260-W352 HydrophobicContact CD2-CH2 3.71Å; L260-W352 HydrophobicContact CD2-CZ2 3.45Å; L260-W352 VanDerWaalsContact CD2-CZ2 3.45Å; L260-W352 HydrophobicContact CD2-CZ3 3.73Å; F329-W352 HydrophobicContact CE1-CH2 4.4Å; F329-W352 AromaticContact CE1-CZ3 3.94Å; F329-W352 HydrophobicContact CE1-CZ3 3.94Å; F329-W352 HydrophobicContact CZ-CH2 4.29Å; F329-W352 HydrophobicContact CZ-CZ3 4.13Å; D348-W352 PolarHBondContact O-N 2.93Å; Q349-W352 PolarHBondContact O-N 3.41Å; W352-E354 VanDerWaalsContact C-N 3.29Å; W352-E354 PolarHBondContact O-N 3.2Å; W352-E355 PolarHBondContact O-N 2.88Å; W352-T356 VanDerWaalsContact CE2-OG1 3.22Å; W352-T356 HydrophobicContact CH2-CG2 4.16Å; W352-T356 HydrophobicContact CZ2-CG2 4.16Å; W352-T356 WeakPolarHBondContact CZ2-OG1 3.32Å; W352-T356 VanDerWaalsContact O-CB 3.3Å; W352-T356 WeakPolarHBondContact O-CB 3.44Å; W352-T356 PolarHBondContact O-N 3.45Å; W352-T356 PolarHBondContact O-OG1 3.13Å |
| 353 | I | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61 | -40.3 | 175.6 | -69.9 | 168.2 | 0 | 0 | 0 | 110.5 | W256 F329 L332 K333 L345 Q349 S350 A351 T357 | W256-I353 HydrophobicContact CH2-CD1 4Å; W256-I353 HydrophobicContact CH2-CG1 4.02Å; F329-I353 HydrophobicContact CB-CG2 3.72Å; F329-I353 HydrophobicContact CD1-CG1 4.29Å; F329-I353 HydrophobicContact CD1-CG2 3.97Å; F329-I353 HydrophobicContact CD2-CG2 4.3Å; F329-I353 HydrophobicContact CG-CG2 3.75Å; L332-I353 HydrophobicContact CB-CD1 4.34Å; L332-I353 HydrophobicContact CD1-CD1 4.28Å; K333-I353 HydrophobicContact CD-CG2 4.08Å; K333-I353 HydrophobicContact CG-CG2 4.36Å; L345-I353 HydrophobicContact CD1-CD1 3.68Å; Q349-I353 VanDerWaalsContact O-CG1 3.28Å; Q349-I353 WeakPolarHBondContact O-CG1 3.5Å; Q349-I353 PolarHBondContact O-N 3.49Å; S350-I353 PolarHBondContact O-N 2.94Å; A351-I353 VanDerWaalsContact C-N 3.34Å; A351-I353 PolarHBondContact O-N 3.13Å; I353-T357 VanDerWaalsContact O-CB 3.23Å; I353-T357 WeakPolarHBondContact O-CB 3.32Å; I353-T357 PolarHBondContact O-N 3.42Å; I353-T357 PolarHBondContact O-OG1 3.16Å |
| 354 | E | 93.8 | Very high | 92 | Very high | 95 Ų | 95 | 60.1 Ų | 60.1 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 178.6 | -74.3 | 179.6 | -173.1 | 0 | 0 | 113.4 | K333 S350 A351 W352 T357 K358 | K333-E354 IonicContact NZ-OE1 3.84Å; K333-E354 PolarHBondContact NZ-OE1 3.01Å; S350-E354 WeakPolarHBondContact O-CG 3.46Å; S350-E354 PolarHBondContact O-N 3.49Å; S350-E354 VanDerWaalsContact O-N 3.09Å; A351-E354 WeakPolarHBondContact O-CB 3.34Å; A351-E354 PolarHBondContact O-N 3.34Å; A351-E354 VanDerWaalsContact O-N 3.17Å; W352-E354 VanDerWaalsContact C-N 3.29Å; W352-E354 PolarHBondContact O-N 3.2Å; E354-T357 PolarHBondContact O-N 2.85Å; E354-K358 WeakPolarHBondContact O-CG 3.45Å; E354-K358 PolarHBondContact O-N 3Å; E354-K358 VanDerWaalsContact O-N 3.14Å |
| 355 | E | 95.7 | Very high | 92.5 | Very high | 142 Ų | 142 | 60.7 Ų | 60.7 | 66% | 0.664 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.4 | -46.6 | 176.1 | -174.5 | 173.7 | -173.1 | 0 | 0 | 110.8 | A351 W352 T357 K358 L359 | A351-E355 PolarHBondContact O-N 3.35Å; W352-E355 PolarHBondContact O-N 2.88Å; E355-T357 VanDerWaalsContact C-N 3.35Å; E355-T357 PolarHBondContact O-N 3Å; E355-K358 WeakPolarHBondContact O-CB 3.23Å; E355-K358 PolarHBondContact O-N 2.88Å; E355-L359 PolarHBondContact O-N 3.18Å |
| 356 | T | 94.2 | Very high | 92.7 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.2 | -36 | 179.9 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | L267 F329 W352 K358 L359 V360 | L267-T356 HydrophobicContact CD1-CG2 3.45Å; L267-T356 VanDerWaalsContact CD1-CG2 3.45Å; F329-T356 HydrophobicContact CE2-CG2 3.82Å; F329-T356 HydrophobicContact CZ-CG2 3.68Å; W352-T356 VanDerWaalsContact CE2-OG1 3.22Å; W352-T356 HydrophobicContact CH2-CG2 4.16Å; W352-T356 HydrophobicContact CZ2-CG2 4.16Å; W352-T356 WeakPolarHBondContact CZ2-OG1 3.32Å; W352-T356 VanDerWaalsContact O-CB 3.3Å; W352-T356 WeakPolarHBondContact O-CB 3.44Å; W352-T356 PolarHBondContact O-N 3.45Å; W352-T356 PolarHBondContact O-OG1 3.13Å; T356-K358 PolarHBondContact O-N 3.49Å; T356-L359 WeakPolarHBondContact O-CB 3.35Å; T356-L359 PolarHBondContact O-N 3.34Å; T356-V360 HydrophobicContact CG2-CG2 4.43Å; T356-V360 VanDerWaalsContact O-CG2 3.29Å; T356-V360 WeakPolarHBondContact O-CG2 3.29Å; T356-V360 PolarHBondContact O-N 3.47Å |
| 357 | T | 95.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 58.5 Ų | 58.5 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 174.1 | -61.9 | 0 | 0 | 0 | 0 | 111 | L326 F329 I353 E354 E355 L359 V360 Y361 | L326-T357 HydrophobicContact CD2-CG2 3.99Å; F329-T357 VanDerWaalsContact CD2-OG1 3.28Å; F329-T357 WeakPolarHBondContact CD2-OG1 3.44Å; I353-T357 VanDerWaalsContact O-CB 3.23Å; I353-T357 WeakPolarHBondContact O-CB 3.32Å; I353-T357 PolarHBondContact O-N 3.42Å; I353-T357 PolarHBondContact O-OG1 3.16Å; E354-T357 PolarHBondContact O-N 2.85Å; E355-T357 VanDerWaalsContact C-N 3.35Å; E355-T357 PolarHBondContact O-N 3Å; T357-L359 VanDerWaalsContact C-N 3.32Å; T357-L359 PolarHBondContact O-N 3.29Å; T357-V360 PolarHBondContact O-N 2.9Å; T357-Y361 HydrophobicContact CG2-CD2 3.8Å; T357-Y361 HydrophobicContact CG2-CE2 3.7Å; T357-Y361 VanDerWaalsContact O-CD2 3.3Å; T357-Y361 WeakPolarHBondContact O-CD2 3.44Å; T357-Y361 PolarHBondContact O-N 3.24Å |
| 358 | K | 95.4 | Very high | 92 | Very high | 151 Ų | 151 | 52.8 Ų | 52.8 | 66% | 0.657 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 175.5 | -69.3 | 169.3 | -175 | 170.4 | 0 | 111.4 | E354 E355 T356 Y361 Q362 | E354-K358 WeakPolarHBondContact O-CG 3.45Å; E354-K358 PolarHBondContact O-N 3Å; E354-K358 VanDerWaalsContact O-N 3.14Å; E355-K358 WeakPolarHBondContact O-CB 3.23Å; E355-K358 PolarHBondContact O-N 2.88Å; T356-K358 PolarHBondContact O-N 3.49Å; K358-Y361 PolarHBondContact O-N 3.11Å; K358-Q362 PolarHBondContact O-N 3.16Å |
| 359 | L | 94.4 | Very high | 91.7 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 23% | 0.225 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.8 | 179.7 | 63.7 | 0 | 0 | 0 | 111.8 | L267 K271 E355 T356 T357 Q362 L363 | L267-L359 HydrophobicContact CB-CD2 4.33Å; L267-L359 HydrophobicContact CD1-CD2 4.36Å; K271-L359 HydrophobicContact CD-CD1 4.41Å; E355-L359 PolarHBondContact O-N 3.18Å; T356-L359 WeakPolarHBondContact O-CB 3.35Å; T356-L359 PolarHBondContact O-N 3.34Å; T357-L359 VanDerWaalsContact C-N 3.32Å; T357-L359 PolarHBondContact O-N 3.29Å; L359-Q362 WeakPolarHBondContact O-CB 3.42Å; L359-Q362 PolarHBondContact O-N 3.24Å; L359-L363 HydrophobicContact CD1-CG 4.49Å; L359-L363 HydrophobicContact CG-CD1 4.32Å; L359-L363 WeakPolarHBondContact O-CG 3.49Å; L359-L363 PolarHBondContact O-N 2.73Å |
| 360 | V | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 178.9 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | L267 L322 L326 F329 T356 T357 Q362 L363 L364 | L267-V360 HydrophobicContact CD1-CG2 4.46Å; L267-V360 HydrophobicContact CD2-CG2 4.17Å; L322-V360 HydrophobicContact CB-CG1 3.98Å; L322-V360 HydrophobicContact CD2-CB 4.48Å; L322-V360 HydrophobicContact CD2-CG1 3.99Å; L322-V360 HydrophobicContact CD2-CG2 4.24Å; L322-V360 WeakPolarHBondContact O-CG1 3.08Å; L326-V360 HydrophobicContact CD1-CG1 4.23Å; L326-V360 HydrophobicContact CD2-CB 4.19Å; L326-V360 HydrophobicContact CD2-CG1 3.69Å; L326-V360 HydrophobicContact CG-CG1 3.69Å; F329-V360 HydrophobicContact CE2-CG2 4.38Å; T356-V360 HydrophobicContact CG2-CG2 4.43Å; T356-V360 VanDerWaalsContact O-CG2 3.29Å; T356-V360 WeakPolarHBondContact O-CG2 3.29Å; T356-V360 PolarHBondContact O-N 3.47Å; T357-V360 PolarHBondContact O-N 2.9Å; V360-Q362 VanDerWaalsContact C-N 3.33Å; V360-Q362 PolarHBondContact O-N 2.92Å; V360-L363 PolarHBondContact O-N 3.37Å; V360-L364 HydrophobicContact CG1-CD1 4.31Å; V360-L364 WeakPolarHBondContact O-CG 3.46Å; V360-L364 PolarHBondContact O-N 3.04Å |
| 361 | Y | 94.6 | Very high | 91.1 | Very high | 38 Ų | 38 | 52 Ų | 52 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 173.1 | -84.6 | -67.5 | 0 | 0 | 0 | 112.5 | L326 T357 K358 L364 R365 A375 E379 L382 | L326-Y361 HydrophobicContact CD1-CD1 4.49Å; L326-Y361 HydrophobicContact CD1-CE1 4.03Å; L326-Y361 HydrophobicContact CD1-CE2 4.46Å; L326-Y361 HydrophobicContact CD2-CD2 4.13Å; L326-Y361 HydrophobicContact CD2-CE2 3.81Å; T357-Y361 HydrophobicContact CG2-CD2 3.8Å; T357-Y361 HydrophobicContact CG2-CE2 3.7Å; T357-Y361 VanDerWaalsContact O-CD2 3.3Å; T357-Y361 WeakPolarHBondContact O-CD2 3.44Å; T357-Y361 PolarHBondContact O-N 3.24Å; K358-Y361 PolarHBondContact O-N 3.11Å; Y361-L364 PolarHBondContact O-N 3.5Å; Y361-R365 WeakPolarHBondContact O-CG 3.32Å; Y361-R365 PolarHBondContact O-N 3.08Å; Y361-A375 HydrophobicContact CD1-CB 4.41Å; Y361-E379 HydrophobicContact CE1-CB 4.27Å; Y361-L382 WeakPolarHBondContact OH-CD1 3.29Å |
| 362 | Q | 93.4 | Very high | 90.9 | Very high | 90 Ų | 90 | 54.1 Ų | 54.1 | 42% | 0.421 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 173.7 | -177 | -176.6 | -9.7 | 0 | 0 | 111.1 | K358 L359 V360 L364 R365 E366 | K358-Q362 PolarHBondContact O-N 3.16Å; L359-Q362 WeakPolarHBondContact O-CB 3.42Å; L359-Q362 PolarHBondContact O-N 3.24Å; V360-Q362 VanDerWaalsContact C-N 3.33Å; V360-Q362 PolarHBondContact O-N 2.92Å; Q362-L364 VanDerWaalsContact C-N 3.34Å; Q362-L364 PolarHBondContact O-N 2.67Å; Q362-R365 PolarHBondContact O-N 3.32Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.48Å; Q362-E366 PolarHBondContact NE2-OE1 3.44Å; Q362-E366 WeakPolarHBondContact O-CG 3.47Å; Q362-E366 PolarHBondContact O-N 3.16Å |
| 363 | L | 90.9 | Very high | 90.8 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 178.7 | -67.8 | 174.7 | 0 | 0 | 0 | 112.6 | L267 F270 K271 L322 L359 V360 E366 T367 | L267-L363 HydrophobicContact CD2-CD1 4.04Å; F270-L363 HydrophobicContact CB-CD1 4.15Å; K271-L363 HydrophobicContact CB-CD2 4.17Å; L322-L363 HydrophobicContact CD1-CB 3.95Å; L322-L363 HydrophobicContact CD2-CB 4.28Å; L322-L363 HydrophobicContact CD2-CD1 4.15Å; L359-L363 HydrophobicContact CD1-CG 4.49Å; L359-L363 HydrophobicContact CG-CD1 4.32Å; L359-L363 WeakPolarHBondContact O-CG 3.49Å; L359-L363 PolarHBondContact O-N 2.73Å; V360-L363 PolarHBondContact O-N 3.37Å; L363-E366 PolarHBondContact O-N 3.35Å; L363-T367 PolarHBondContact O-N 3.35Å; L363-T367 VanDerWaalsContact O-N 3.11Å; L363-T367 PolarHBondContact O-OG1 3.33Å |
| 364 | L | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 174.2 | -79.2 | 173.4 | 0 | 0 | 0 | 111.9 | R319 L322 L326 V360 Y361 Q362 E366 T367 G371 F374 A375 | R319-L364 HydrophobicContact CG-CD2 4.2Å; L322-L364 HydrophobicContact CB-CD1 4.4Å; L322-L364 HydrophobicContact CB-CD2 3.67Å; L322-L364 HydrophobicContact CB-CG 3.9Å; L322-L364 HydrophobicContact CD1-CD2 3.76Å; L322-L364 HydrophobicContact CD1-CG 3.94Å; L322-L364 HydrophobicContact CG-CD2 4.38Å; L326-L364 HydrophobicContact CD1-CD1 3.57Å; V360-L364 HydrophobicContact CG1-CD1 4.31Å; V360-L364 WeakPolarHBondContact O-CG 3.46Å; V360-L364 PolarHBondContact O-N 3.04Å; Y361-L364 PolarHBondContact O-N 3.5Å; Q362-L364 VanDerWaalsContact C-N 3.34Å; Q362-L364 PolarHBondContact O-N 2.67Å; L364-E366 VanDerWaalsContact C-N 3.3Å; L364-E366 PolarHBondContact O-N 3.24Å; L364-T367 WeakPolarHBondContact O-CB 3.26Å; L364-T367 PolarHBondContact O-N 3.45Å; L364-T367 VanDerWaalsContact O-N 3.11Å; L364-G371 WeakPolarHBondContact O-CA 3.49Å; L364-F374 HydrophobicContact CD2-CD1 4.25Å; L364-F374 HydrophobicContact CD2-CE1 4.01Å; L364-A375 HydrophobicContact CB-CB 4.47Å |
| 365 | R | 91.7 | Very high | 90.6 | Very high | 112 Ų | 112 | 55.6 Ų | 55.6 | 42% | 0.423 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 175.2 | -71.4 | 175.3 | 171 | 141.1 | 11.6 | 112.1 | Y361 Q362 T367 E372 A375 | Y361-R365 WeakPolarHBondContact O-CG 3.32Å; Y361-R365 PolarHBondContact O-N 3.08Å; Q362-R365 PolarHBondContact O-N 3.32Å; R365-T367 PolarHBondContact O-N 3.19Å; R365-E372 WeakPolarHBondContact CD-OE2 3.42Å; R365-E372 WeakPolarHBondContact CG-OE2 3.44Å; R365-E372 IonicContact CZ-OE1 3.32Å; R365-E372 IonicContact NE-OE1 3.86Å; R365-E372 PolarHBondContact NE-OE1 3.38Å; R365-E372 IonicContact NE-OE2 2.96Å; R365-E372 PolarHBondContact NE-OE2 3.02Å; R365-E372 IonicContact NH2-OE1 2.81Å; R365-A375 HydrophobicContact CG-CB 3.73Å |
| 366 | E | 88.6 | Confident | 90.5 | Very high | 72 Ų | 72 | 52.4 Ų | 52.4 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -9.9 | 176.1 | -69.5 | -177 | -155.4 | 0 | 0 | 113.4 | K274 Q362 L363 L364 P368 | K274-E366 IonicContact NZ-OE1 3.52Å; K274-E366 IonicContact NZ-OE2 3.91Å; K274-E366 PolarHBondContact NZ-OE2 3.05Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.48Å; Q362-E366 PolarHBondContact NE2-OE1 3.44Å; Q362-E366 WeakPolarHBondContact O-CG 3.47Å; Q362-E366 PolarHBondContact O-N 3.16Å; L363-E366 PolarHBondContact O-N 3.35Å; L364-E366 VanDerWaalsContact C-N 3.3Å; L364-E366 PolarHBondContact O-N 3.24Å; E366-P368 VanDerWaalsContact O-CD 3.32Å; E366-P368 WeakPolarHBondContact O-CD 3.43Å |
| 367 | T | 85.3 | Confident | 90.5 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -92.6 | 110.8 | -177.6 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | L275 R319 L363 L364 R365 G371 | L275-T367 HydrophobicContact CD1-CG2 4.34Å; R319-T367 HydrophobicContact CG-CG2 4.12Å; R319-T367 PolarHBondContact NH2-O 3.49Å; L363-T367 PolarHBondContact O-N 3.35Å; L363-T367 VanDerWaalsContact O-N 3.11Å; L363-T367 PolarHBondContact O-OG1 3.33Å; L364-T367 WeakPolarHBondContact O-CB 3.26Å; L364-T367 PolarHBondContact O-N 3.45Å; L364-T367 VanDerWaalsContact O-N 3.11Å; R365-T367 PolarHBondContact O-N 3.19Å; T367-G371 WeakPolarHBondContact O-CA 3.14Å |
| 368 | P | 79.6 | Confident | 90.5 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -67.6 | 160.5 | 174.7 | -15.6 | 31.4 | 0 | 0 | 0 | 112 | D277 S315 R319 E366 | D277-P368 WeakPolarHBondContact OD1-CB 3.45Å; S315-P368 WeakPolarHBondContact CB-O 3.43Å; R319-P368 VanDerWaalsContact NH2-C 3.3Å; R319-P368 PolarHBondContact NH2-O 3.36Å; E366-P368 VanDerWaalsContact O-CD 3.32Å; E366-P368 WeakPolarHBondContact O-CD 3.43Å |
| 369 | P | 83.5 | Confident | 90.4 | Very high | 50 Ų | 50 | 52.8 Ų | 52.8 | 33% | 0.325 | 26% | 0.257 | S | S | . | . | S | Bend | cis | -85.9 | 142.4 | -7.2 | 33 | -34.2 | 0 | 0 | 0 | 113 | R319 G371 | R319-P369 PolarHBondContact NH2-O 3.38Å; P369-G371 PolarHBondContact O-N 3.47Å |
| 370 | E | 82.3 | Confident | 90.4 | Very high | 124 Ų | 124 | 56.6 Ų | 56.6 | 58% | 0.579 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 57.3 | 44.7 | 176.3 | -58 | 177.3 | 174.1 | 0 | 0 | 114.1 | E372 Q373 F374 | E370-E372 VanDerWaalsContact C-N 3.28Å; E370-E372 PolarHBondContact O-N 2.74Å; E370-Q373 HydrophobicContact CB-CB 4.41Å; E370-Q373 PolarHBondContact O-N 2.92Å; E370-Q373 PolarHBondContact OE2-OE1 3.36Å; E370-F374 PolarHBondContact O-N 3.06Å |
| 371 | G | 85.2 | Confident | 90.5 | Very high | 6 Ų | 6 | 60 Ų | 60 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.8 | -37.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L364 T367 P369 F374 A375 | L364-G371 WeakPolarHBondContact O-CA 3.49Å; T367-G371 WeakPolarHBondContact O-CA 3.14Å; P369-G371 PolarHBondContact O-N 3.47Å; G371-F374 PolarHBondContact O-N 3.09Å; G371-A375 WeakPolarHBondContact O-CB 3.39Å; G371-A375 PolarHBondContact O-N 3.43Å |
| 372 | E | 89.1 | Confident | 90.4 | Very high | 100 Ų | 100 | 59 Ų | 59 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 178.4 | -166.3 | 64.4 | -141.1 | 0 | 0 | 112.2 | R365 E370 F374 A375 T376 | R365-E372 WeakPolarHBondContact CD-OE2 3.42Å; R365-E372 WeakPolarHBondContact CG-OE2 3.44Å; R365-E372 IonicContact CZ-OE1 3.32Å; R365-E372 IonicContact NE-OE1 3.86Å; R365-E372 PolarHBondContact NE-OE1 3.38Å; R365-E372 IonicContact NE-OE2 2.96Å; R365-E372 PolarHBondContact NE-OE2 3.02Å; R365-E372 IonicContact NH2-OE1 2.81Å; E370-E372 VanDerWaalsContact C-N 3.28Å; E370-E372 PolarHBondContact O-N 2.74Å; E372-F374 VanDerWaalsContact C-N 3.3Å; E372-F374 PolarHBondContact O-N 3.43Å; E372-A375 PolarHBondContact O-N 3.11Å; E372-T376 PolarHBondContact O-N 3.46Å; E372-T376 PolarHBondContact O-OG1 3.23Å; E372-T376 VanDerWaalsContact O-OG1 3.09Å |
| 373 | Q | 91.2 | Very high | 90.4 | Very high | 125 Ų | 125 | 58.3 Ų | 58.3 | 58% | 0.584 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 179 | -62 | -176.4 | 22.3 | 0 | 0 | 111 | E370 T376 M377 | E370-Q373 HydrophobicContact CB-CB 4.41Å; E370-Q373 PolarHBondContact O-N 2.92Å; E370-Q373 PolarHBondContact OE2-OE1 3.36Å; Q373-T376 PolarHBondContact O-N 3.03Å; Q373-M377 WeakPolarHBondContact O-CB 3.44Å; Q373-M377 PolarHBondContact O-N 3.09Å |
| 374 | F | 92.6 | Very high | 90.5 | Very high | 41 Ų | 41 | 60.9 Ų | 60.9 | 18% | 0.18 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 175.4 | -172.3 | -97.5 | 0 | 0 | 0 | 111.3 | R319 L323 L364 E370 G371 E372 T376 M377 V378 | R319-F374 HydrophobicContact CB-CE1 4.17Å; R319-F374 HydrophobicContact CB-CZ 4.21Å; R319-F374 HydrophobicContact CG-CD1 4.45Å; R319-F374 HydrophobicContact CG-CE1 3.96Å; R319-F374 HydrophobicContact CG-CZ 4.28Å; L323-F374 HydrophobicContact CD1-CE1 4.36Å; L323-F374 HydrophobicContact CD1-CZ 3.91Å; L323-F374 HydrophobicContact CD2-CE1 4.42Å; L323-F374 HydrophobicContact CG-CE1 4.41Å; L323-F374 HydrophobicContact CG-CZ 4.44Å; L364-F374 HydrophobicContact CD2-CD1 4.25Å; L364-F374 HydrophobicContact CD2-CE1 4.01Å; E370-F374 PolarHBondContact O-N 3.06Å; G371-F374 PolarHBondContact O-N 3.09Å; E372-F374 VanDerWaalsContact C-N 3.3Å; E372-F374 PolarHBondContact O-N 3.43Å; F374-T376 PolarHBondContact O-N 3.11Å; F374-M377 HydrophobicContact CD2-CE 3.99Å; F374-M377 HydrophobicContact CE2-CE 4.24Å; F374-M377 PolarHBondContact O-N 3.11Å; F374-V378 HydrophobicContact CD1-CG2 4.01Å; F374-V378 HydrophobicContact CE1-CG2 3.75Å; F374-V378 HydrophobicContact CZ-CG2 4.11Å; F374-V378 VanDerWaalsContact O-CG2 3.23Å; F374-V378 WeakPolarHBondContact O-CG2 3.38Å; F374-V378 PolarHBondContact O-N 3.4Å |
| 375 | A | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y361 L364 R365 G371 E372 M377 V378 E379 | Y361-A375 HydrophobicContact CD1-CB 4.41Å; L364-A375 HydrophobicContact CB-CB 4.47Å; R365-A375 HydrophobicContact CG-CB 3.73Å; G371-A375 WeakPolarHBondContact O-CB 3.39Å; G371-A375 PolarHBondContact O-N 3.43Å; E372-A375 PolarHBondContact O-N 3.11Å; A375-M377 PolarHBondContact O-N 3.05Å; A375-V378 PolarHBondContact O-N 3.04Å; A375-E379 PolarHBondContact O-N 2.91Å |
| 376 | T | 94.1 | Very high | 90.4 | Very high | 75 Ų | 75 | 64.7 Ų | 64.7 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 175.7 | -51.7 | 0 | 0 | 0 | 0 | 112.2 | E372 Q373 F374 E379 H380 | E372-T376 PolarHBondContact O-N 3.46Å; E372-T376 PolarHBondContact O-OG1 3.23Å; E372-T376 VanDerWaalsContact O-OG1 3.09Å; Q373-T376 PolarHBondContact O-N 3.03Å; F374-T376 PolarHBondContact O-N 3.11Å; T376-E379 PolarHBondContact O-N 3.04Å; T376-H380 PolarHBondContact O-N 2.89Å |
| 377 | M | 94.6 | Very high | 90.5 | Very high | 102 Ų | 102 | 66.8 Ų | 66.8 | 50% | 0.502 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 176.6 | -176.6 | 176.2 | 65.9 | 0 | 0 | 111.5 | Q373 F374 A375 H380 I381 | Q373-M377 WeakPolarHBondContact O-CB 3.44Å; Q373-M377 PolarHBondContact O-N 3.09Å; F374-M377 HydrophobicContact CD2-CE 3.99Å; F374-M377 HydrophobicContact CE2-CE 4.24Å; F374-M377 PolarHBondContact O-N 3.11Å; A375-M377 PolarHBondContact O-N 3.05Å; M377-H380 PolarHBondContact O-N 3.46Å; M377-I381 HydrophobicContact CG-CD1 3.98Å; M377-I381 VanDerWaalsContact O-CG1 3.29Å; M377-I381 WeakPolarHBondContact O-CG1 3.47Å; M377-I381 PolarHBondContact O-N 3.45Å |
| 378 | V | 94.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.03 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | L323 L326 F374 A375 H380 I381 L382 | L323-V378 HydrophobicContact CD2-CB 4.27Å; L323-V378 HydrophobicContact CD2-CG1 3.63Å; L323-V378 HydrophobicContact CD2-CG2 3.55Å; L326-V378 HydrophobicContact CD1-CG1 3.65Å; F374-V378 HydrophobicContact CD1-CG2 4.01Å; F374-V378 HydrophobicContact CE1-CG2 3.75Å; F374-V378 HydrophobicContact CZ-CG2 4.11Å; F374-V378 VanDerWaalsContact O-CG2 3.23Å; F374-V378 WeakPolarHBondContact O-CG2 3.38Å; F374-V378 PolarHBondContact O-N 3.4Å; A375-V378 PolarHBondContact O-N 3.04Å; V378-H380 VanDerWaalsContact C-N 3.31Å; V378-H380 PolarHBondContact O-N 3.46Å; V378-I381 PolarHBondContact O-N 3.25Å; V378-I381 VanDerWaalsContact O-N 3.15Å; V378-L382 HydrophobicContact CG1-CD1 3.84Å; V378-L382 HydrophobicContact CG1-CG 4.25Å; V378-L382 VanDerWaalsContact O-CG 3.3Å; V378-L382 WeakPolarHBondContact O-CG 3.48Å; V378-L382 PolarHBondContact O-N 3.12Å |
| 379 | E | 93.8 | Very high | 91.1 | Very high | 87 Ų | 87 | 74.1 Ų | 74.1 | 41% | 0.407 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 175.4 | -173.5 | 174.9 | -165.2 | 0 | 0 | 111.6 | Y361 A375 T376 L382 N383 | Y361-E379 HydrophobicContact CE1-CB 4.27Å; A375-E379 PolarHBondContact O-N 2.91Å; T376-E379 PolarHBondContact O-N 3.04Å; E379-L382 PolarHBondContact O-N 3.09Å; E379-N383 WeakPolarHBondContact O-CB 2.94Å; E379-N383 PolarHBondContact O-N 2.91Å; E379-N383 PolarHBondContact O-ND2 2.7Å; E379-N383 VanDerWaalsContact O-ND2 3.15Å |
| 380 | H | 94.9 | Very high | 91.3 | Very high | 123 Ų | 123 | 74.5 Ų | 74.5 | 57% | 0.569 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 174.4 | -176.8 | 71.1 | 0 | 0 | 0 | 112.6 | T376 M377 V378 N383 T384 | T376-H380 PolarHBondContact O-N 2.89Å; M377-H380 PolarHBondContact O-N 3.46Å; V378-H380 VanDerWaalsContact C-N 3.31Å; V378-H380 PolarHBondContact O-N 3.46Å; H380-N383 WeakPolarHBondContact O-CB 3.34Å; H380-N383 PolarHBondContact O-N 3.42Å; H380-T384 WeakPolarHBondContact O-CG2 3.17Å; H380-T384 PolarHBondContact O-N 3Å |
| 381 | I | 95.8 | Very high | 91.6 | Very high | 72 Ų | 72 | 69.3 Ų | 69.3 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 178.5 | -70 | 165.3 | 0 | 0 | 0 | 110.5 | M377 V378 N383 T384 E385 | M377-I381 HydrophobicContact CG-CD1 3.98Å; M377-I381 VanDerWaalsContact O-CG1 3.29Å; M377-I381 WeakPolarHBondContact O-CG1 3.47Å; M377-I381 PolarHBondContact O-N 3.45Å; V378-I381 PolarHBondContact O-N 3.25Å; V378-I381 VanDerWaalsContact O-N 3.15Å; I381-N383 VanDerWaalsContact C-N 3.28Å; I381-N383 PolarHBondContact O-N 2.92Å; I381-T384 WeakPolarHBondContact CA-OG1 3.29Å; I381-T384 CarbonylContact O-C 3.5Å; I381-T384 WeakPolarHBondContact O-CA 3.41Å; I381-T384 PolarHBondContact O-N 3.25Å; I381-T384 PolarHBondContact O-OG1 3.43Å; I381-E385 HydrophobicContact CG2-CG 4.5Å; I381-E385 PolarHBondContact O-N 2.96Å |
| 382 | L | 93.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 70.9 Ų | 70.9 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 179.3 | -63.9 | 172.9 | 0 | 0 | 0 | 111.3 | L326 I327 Q330 Y361 V378 E379 T384 E385 E386 | L326-L382 HydrophobicContact CB-CD1 3.93Å; L326-L382 HydrophobicContact CD1-CD1 4.18Å; I327-L382 HydrophobicContact CG1-CD2 4.33Å; Q330-L382 PolarHBondContact NE2-O 3.29Å; Q330-L382 VanDerWaalsContact OE1-CB 3.27Å; Y361-L382 WeakPolarHBondContact OH-CD1 3.29Å; V378-L382 HydrophobicContact CG1-CD1 3.84Å; V378-L382 HydrophobicContact CG1-CG 4.25Å; V378-L382 VanDerWaalsContact O-CG 3.3Å; V378-L382 WeakPolarHBondContact O-CG 3.48Å; V378-L382 PolarHBondContact O-N 3.12Å; E379-L382 PolarHBondContact O-N 3.09Å; L382-T384 PolarHBondContact O-N 3.39Å; L382-E385 WeakPolarHBondContact O-CB 3.48Å; L382-E385 PolarHBondContact O-N 3Å; L382-E386 PolarHBondContact O-N 3.33Å; L382-E386 VanDerWaalsContact O-N 3.14Å |
| 383 | N | 93.1 | Very high | 91.5 | Very high | 77 Ų | 77 | 68 Ų | 68 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 171.7 | -69.7 | -26.1 | 0 | 0 | 0 | 112.4 | E379 H380 I381 E385 E386 | E379-N383 WeakPolarHBondContact O-CB 2.94Å; E379-N383 PolarHBondContact O-N 2.91Å; E379-N383 PolarHBondContact O-ND2 2.7Å; E379-N383 VanDerWaalsContact O-ND2 3.15Å; H380-N383 WeakPolarHBondContact O-CB 3.34Å; H380-N383 PolarHBondContact O-N 3.42Å; I381-N383 VanDerWaalsContact C-N 3.28Å; I381-N383 PolarHBondContact O-N 2.92Å; N383-E385 VanDerWaalsContact C-N 3.33Å; N383-E386 PolarHBondContact O-N 2.97Å |
| 384 | T | 93.1 | Very high | 91.2 | Very high | 63 Ų | 63 | 68.5 Ų | 68.5 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.4 | -29.8 | 173.9 | 62.3 | 0 | 0 | 0 | 0 | 113 | H380 I381 L382 E386 N387 W388 | H380-T384 WeakPolarHBondContact O-CG2 3.17Å; H380-T384 PolarHBondContact O-N 3Å; I381-T384 WeakPolarHBondContact CA-OG1 3.29Å; I381-T384 CarbonylContact O-C 3.5Å; I381-T384 WeakPolarHBondContact O-CA 3.41Å; I381-T384 PolarHBondContact O-N 3.25Å; I381-T384 PolarHBondContact O-OG1 3.43Å; L382-T384 PolarHBondContact O-N 3.39Å; T384-E386 VanDerWaalsContact C-N 3.32Å; T384-N387 WeakPolarHBondContact O-CB 3.45Å; T384-N387 PolarHBondContact O-N 3.15Å; T384-W388 PolarHBondContact O-N 3.5Å; T384-W388 VanDerWaalsContact O-N 3.11Å |
| 385 | E | 91.4 | Very high | 90.7 | Very high | 78 Ų | 78 | 68.7 Ų | 68.7 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.5 | -32.8 | 173.4 | -71.1 | -173.1 | 179.9 | 0 | 0 | 112.2 | I381 L382 N383 N387 W388 N389 | I381-E385 HydrophobicContact CG2-CG 4.5Å; I381-E385 PolarHBondContact O-N 2.96Å; L382-E385 WeakPolarHBondContact O-CB 3.48Å; L382-E385 PolarHBondContact O-N 3Å; N383-E385 VanDerWaalsContact C-N 3.33Å; E385-N387 VanDerWaalsContact C-N 3.32Å; E385-N387 PolarHBondContact O-N 3.35Å; E385-W388 WeakPolarHBondContact O-CB 3.33Å; E385-W388 PolarHBondContact O-N 3.33Å; E385-N389 WeakPolarHBondContact O-CB 3.23Å; E385-N389 PolarHBondContact O-N 2.88Å |
| 386 | E | 89.8 | Confident | 90.2 | Very high | 113 Ų | 113 | 69 Ų | 69 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 172.6 | -63.2 | -170 | 162.2 | 0 | 0 | 111.4 | L382 N383 T384 W388 N389 S390 | L382-E386 PolarHBondContact O-N 3.33Å; L382-E386 VanDerWaalsContact O-N 3.14Å; N383-E386 PolarHBondContact O-N 2.97Å; T384-E386 VanDerWaalsContact C-N 3.32Å; E386-W388 VanDerWaalsContact C-N 3.32Å; E386-W388 PolarHBondContact O-N 3.03Å; E386-N389 PolarHBondContact O-N 3.25Å; E386-S390 PolarHBondContact O-N 2.66Å |
| 387 | N | 90.3 | Very high | 89.6 | Confident | 117 Ų | 117 | 68.3 Ų | 68.3 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 175 | -61.9 | -37.4 | 0 | 0 | 0 | 111.2 | T384 E385 S390 W391 | T384-N387 WeakPolarHBondContact O-CB 3.45Å; T384-N387 PolarHBondContact O-N 3.15Å; E385-N387 VanDerWaalsContact C-N 3.32Å; E385-N387 PolarHBondContact O-N 3.35Å; N387-S390 PolarHBondContact O-N 3.01Å; N387-W391 PolarHBondContact O-N 2.89Å |
| 388 | W | 88.8 | Confident | 88.8 | Confident | 140 Ų | 140 | 66.4 Ų | 66.4 | 53% | 0.53 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 176.8 | -172.6 | -100.1 | 0 | 0 | 0 | 112.2 | T384 E385 E386 W391 K392 | T384-W388 PolarHBondContact O-N 3.5Å; T384-W388 VanDerWaalsContact O-N 3.11Å; E385-W388 WeakPolarHBondContact O-CB 3.33Å; E385-W388 PolarHBondContact O-N 3.33Å; E386-W388 VanDerWaalsContact C-N 3.32Å; E386-W388 PolarHBondContact O-N 3.03Å; W388-W391 HydrophobicContact CD2-CE3 4.14Å; W388-W391 HydrophobicContact CD2-CZ3 4.42Å; W388-W391 HydrophobicContact CE3-CE3 4.11Å; W388-W391 HydrophobicContact CE3-CZ3 4.39Å; W388-W391 HydrophobicContact CH2-CE3 4.11Å; W388-W391 HydrophobicContact CH2-CH2 4.16Å; W388-W391 AromaticContact CH2-CZ3 3.56Å; W388-W391 HydrophobicContact CH2-CZ3 3.56Å; W388-W391 HydrophobicContact CZ2-CE3 4.14Å; W388-W391 HydrophobicContact CZ2-CH2 4.47Å; W388-W391 AromaticContact CZ2-CZ3 3.58Å; W388-W391 HydrophobicContact CZ2-CZ3 3.58Å; W388-W391 HydrophobicContact CZ3-CE3 4.09Å; W388-W391 AromaticContact CZ3-CZ3 3.99Å; W388-W391 HydrophobicContact CZ3-CZ3 3.99Å; W388-W391 PolarHBondContact O-N 3.3Å; W388-K392 WeakPolarHBondContact O-CB 3.3Å; W388-K392 PolarHBondContact O-N 3.23Å |
| 389 | N | 88.6 | Confident | 87.7 | Confident | 43 Ų | 43 | 72.8 Ų | 72.8 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 176.2 | -171.4 | 23.2 | 0 | 0 | 0 | 111.3 | Q335 E385 E386 K392 N393 | Q335-N389 PolarHBondContact O-ND2 3.45Å; E385-N389 WeakPolarHBondContact O-CB 3.23Å; E385-N389 PolarHBondContact O-N 2.88Å; E386-N389 PolarHBondContact O-N 3.25Å; N389-K392 PolarHBondContact O-N 3.5Å; N389-N393 WeakPolarHBondContact O-CB 3.47Å; N389-N393 VanDerWaalsContact O-CG 3.26Å; N389-N393 PolarHBondContact O-N 3.34Å; N389-N393 PolarHBondContact O-ND2 3.39Å |
| 390 | S | 88.8 | Confident | 86.6 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 41% | 0.406 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.3 | -50.7 | 174 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | E386 N387 K392 N393 E394 | E386-S390 PolarHBondContact O-N 2.66Å; N387-S390 PolarHBondContact O-N 3.01Å; S390-K392 VanDerWaalsContact C-N 3.26Å; S390-K392 PolarHBondContact O-N 3.23Å; S390-N393 WeakPolarHBondContact O-CB 3.43Å; S390-N393 PolarHBondContact O-N 2.98Å; S390-N393 VanDerWaalsContact O-N 3.1Å; S390-E394 WeakPolarHBondContact O-CG 2.93Å; S390-E394 PolarHBondContact O-N 2.85Å |
| 391 | W | 88 | Confident | 85 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.2 | -39.5 | 177 | 174.2 | 74.9 | 0 | 0 | 0 | 112.6 | L174 N387 W388 E394 C396 P397 F399 | L174-W391 HydrophobicContact CD2-CH2 4.28Å; L174-W391 HydrophobicContact CD2-CZ3 4.44Å; N387-W391 PolarHBondContact O-N 2.89Å; W388-W391 HydrophobicContact CD2-CE3 4.14Å; W388-W391 HydrophobicContact CD2-CZ3 4.42Å; W388-W391 HydrophobicContact CE3-CE3 4.11Å; W388-W391 HydrophobicContact CE3-CZ3 4.39Å; W388-W391 HydrophobicContact CH2-CE3 4.11Å; W388-W391 HydrophobicContact CH2-CH2 4.16Å; W388-W391 AromaticContact CH2-CZ3 3.56Å; W388-W391 HydrophobicContact CH2-CZ3 3.56Å; W388-W391 HydrophobicContact CZ2-CE3 4.14Å; W388-W391 HydrophobicContact CZ2-CH2 4.47Å; W388-W391 AromaticContact CZ2-CZ3 3.58Å; W388-W391 HydrophobicContact CZ2-CZ3 3.58Å; W388-W391 HydrophobicContact CZ3-CE3 4.09Å; W388-W391 AromaticContact CZ3-CZ3 3.99Å; W388-W391 HydrophobicContact CZ3-CZ3 3.99Å; W388-W391 PolarHBondContact O-N 3.3Å; W391-E394 PolarHBondContact O-N 2.84Å; W391-C396 HydrophobicContact CD2-CB 4.4Å; W391-C396 VanDerWaalsContact CE2-CA 3.45Å; W391-C396 HydrophobicContact CE3-CB 4.35Å; W391-C396 HydrophobicContact CH2-CB 3.46Å; W391-C396 VanDerWaalsContact CH2-CB 3.46Å; W391-C396 VanDerWaalsContact CZ2-CA 3.48Å; W391-C396 HydrophobicContact CZ2-CB 3.49Å; W391-C396 VanDerWaalsContact CZ2-CB 3.49Å; W391-C396 HydrophobicContact CZ3-CB 3.91Å; W391-C396 WeakPolarHBondContact CZ3-SG 3.12Å; W391-C396 PolarHBondContact O-N 3.48Å; W391-P397 VanDerWaalsContact CD1-CD 3.49Å; W391-P397 VanDerWaalsContact NE1-CD 3.3Å; W391-P397 PolarHBondContact NE1-O 3.27Å; W391-F399 AromaticContact CD1-CE2 3.58Å; W391-F399 AromaticContact CD1-CZ 3.19Å; W391-F399 AromaticContact CD2-CE2 3.78Å; W391-F399 HydrophobicContact CD2-CE2 3.78Å; W391-F399 HydrophobicContact CD2-CZ 4.08Å; W391-F399 AromaticContact CE2-CD2 3.99Å; W391-F399 AromaticContact CE2-CE2 3.25Å; W391-F399 AromaticContact CE2-CZ 3.79Å; W391-F399 AromaticContact CG-CE2 3.95Å; W391-F399 HydrophobicContact CG-CE2 3.95Å; W391-F399 AromaticContact CG-CZ 3.73Å; W391-F399 HydrophobicContact CG-CZ 3.73Å; W391-F399 HydrophobicContact CZ2-CD2 4.07Å; W391-F399 AromaticContact CZ2-CE2 3.72Å; W391-F399 HydrophobicContact CZ2-CE2 3.72Å; W391-F399 AromaticContact NE1-CD2 3.85Å; W391-F399 AromaticContact NE1-CE2 3.11Å; W391-F399 AromaticContact NE1-CZ 3.21Å |
| 392 | K | 86.4 | Confident | 83.2 | Confident | 39 Ų | 39 | 81.1 Ų | 81.1 | 17% | 0.17 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 176.2 | -170.9 | -178.1 | -176.5 | -174.3 | 0 | 112.5 | N175 S178 W388 N389 S390 E394 G395 | N175-K392 WeakPolarHBondContact O-CE 3.4Å; N175-K392 PolarHBondContact O-NZ 3.32Å; S178-K392 WeakPolarHBondContact OG-CE 3.25Å; S178-K392 PolarHBondContact OG-NZ 3.4Å; W388-K392 WeakPolarHBondContact O-CB 3.3Å; W388-K392 PolarHBondContact O-N 3.23Å; N389-K392 PolarHBondContact O-N 3.5Å; S390-K392 VanDerWaalsContact C-N 3.26Å; S390-K392 PolarHBondContact O-N 3.23Å; K392-E394 PolarHBondContact O-N 3.3Å; K392-G395 PolarHBondContact O-N 3.11Å |
| 393 | N | 85.8 | Confident | 81.2 | Confident | 40 Ų | 40 | 91.2 Ų | 91.2 | 21% | 0.214 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.3 | -33.4 | 175.9 | -74.3 | -27.7 | 0 | 0 | 0 | 112 | Q335 K337 N389 S390 G395 | Q335-N393 PolarHBondContact O-ND2 3.47Å; K337-N393 HydrophobicContact CB-CB 4.48Å; K337-N393 WeakPolarHBondContact CB-OD1 3.44Å; K337-N393 VanDerWaalsContact CD-O 3.26Å; K337-N393 WeakPolarHBondContact CD-O 3.39Å; K337-N393 PolarHBondContact N-OD1 2.91Å; K337-N393 PolarHBondContact NZ-O 2.71Å; N389-N393 WeakPolarHBondContact O-CB 3.47Å; N389-N393 VanDerWaalsContact O-CG 3.26Å; N389-N393 PolarHBondContact O-N 3.34Å; N389-N393 PolarHBondContact O-ND2 3.39Å; S390-N393 WeakPolarHBondContact O-CB 3.43Å; S390-N393 PolarHBondContact O-N 2.98Å; S390-N393 VanDerWaalsContact O-N 3.1Å; N393-G395 PolarHBondContact O-N 3.46Å |
| 394 | E | 86.1 | Confident | 79 | Confident | 134 Ų | 134 | 93.4 Ų | 93.4 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -6.4 | 172.8 | -69.9 | 170.5 | -162.6 | 0 | 0 | 113.7 | S390 W391 K392 | S390-E394 WeakPolarHBondContact O-CG 2.93Å; S390-E394 PolarHBondContact O-N 2.85Å; W391-E394 PolarHBondContact O-N 2.84Å; K392-E394 PolarHBondContact O-N 3.3Å |
| 395 | G | 80 | Confident | 77 | Confident | 45 Ų | 45 | 95 Ų | 95 | 46% | 0.464 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 23.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | K392 N393 | K392-G395 PolarHBondContact O-N 3.11Å; N393-G395 PolarHBondContact O-N 3.46Å |
| 396 | C | 83.1 | Confident | 74.9 | Confident | 8 Ų | 8 | 98.2 Ų | 98.2 | 5% | 0.054 | 51% | 0.505 | C | S | . | . | trans | 57.5 | 60.1 | 174.9 | -61.2 | 0 | 0 | 0 | 0 | 113.5 | L174 W391 | L174-C396 HydrophobicContact CD1-CB 3.61Å; W391-C396 HydrophobicContact CD2-CB 4.4Å; W391-C396 VanDerWaalsContact CE2-CA 3.45Å; W391-C396 HydrophobicContact CE3-CB 4.35Å; W391-C396 HydrophobicContact CH2-CB 3.46Å; W391-C396 VanDerWaalsContact CH2-CB 3.46Å; W391-C396 VanDerWaalsContact CZ2-CA 3.48Å; W391-C396 HydrophobicContact CZ2-CB 3.49Å; W391-C396 VanDerWaalsContact CZ2-CB 3.49Å; W391-C396 HydrophobicContact CZ3-CB 3.91Å; W391-C396 WeakPolarHBondContact CZ3-SG 3.12Å; W391-C396 PolarHBondContact O-N 3.48Å | ||
| 397 | P | 81.8 | Confident | 73 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | trans | -57.4 | 142.6 | 176.3 | 24.2 | -33.9 | 0 | 0 | 0 | 111.4 | W391 F399 | W391-P397 VanDerWaalsContact CD1-CD 3.49Å; W391-P397 VanDerWaalsContact NE1-CD 3.3Å; W391-P397 PolarHBondContact NE1-O 3.27Å; P397-F399 PolarHBondContact O-N 3.49Å | ||
| 398 | S | 77.3 | Confident | 71.1 | Confident | 62 Ų | 62 | 100.2 Ų | 100.2 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | trans | -64.2 | 122.1 | -179.6 | -178 | 0 | 0 | 0 | 0 | 111 | V400 | S398-V400 WeakPolarHBondContact OG-CB 3.47Å; S398-V400 PolarHBondContact OG-N 2.99Å; S398-V400 VanDerWaalsContact OG-N 3.13Å; S398-V400 PolarHBondContact OG-O 2.9Å | ||
| 399 | F | 71.8 | Confident | 69.1 | Low | 139 Ų | 139 | 99.1 Ų | 99.1 | 61% | 0.61 | 52% | 0.522 | S | S | * | . | trans | -76.9 | -11.6 | 167.6 | -66.4 | -66.1 | 0 | 0 | 0 | 112.8 | W391 P397 K401 | W391-F399 AromaticContact CD1-CE2 3.58Å; W391-F399 AromaticContact CD1-CZ 3.19Å; W391-F399 AromaticContact CD2-CE2 3.78Å; W391-F399 HydrophobicContact CD2-CE2 3.78Å; W391-F399 HydrophobicContact CD2-CZ 4.08Å; W391-F399 AromaticContact CE2-CD2 3.99Å; W391-F399 AromaticContact CE2-CE2 3.25Å; W391-F399 AromaticContact CE2-CZ 3.79Å; W391-F399 AromaticContact CG-CE2 3.95Å; W391-F399 HydrophobicContact CG-CE2 3.95Å; W391-F399 AromaticContact CG-CZ 3.73Å; W391-F399 HydrophobicContact CG-CZ 3.73Å; W391-F399 HydrophobicContact CZ2-CD2 4.07Å; W391-F399 AromaticContact CZ2-CE2 3.72Å; W391-F399 HydrophobicContact CZ2-CE2 3.72Å; W391-F399 AromaticContact NE1-CD2 3.85Å; W391-F399 AromaticContact NE1-CE2 3.11Å; W391-F399 AromaticContact NE1-CZ 3.21Å; P397-F399 PolarHBondContact O-N 3.49Å; F399-K401 VanDerWaalsContact C-N 3.32Å; F399-K401 PolarHBondContact O-N 3.14Å | ||
| 400 | V | 70.1 | Confident | 67.3 | Low | 94 Ų | 94 | 104.9 Ų | 104.9 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | trans | -71.9 | 95.5 | 173.7 | -174 | 0 | 0 | 0 | 0 | 106.6 | S398 E402 | S398-V400 WeakPolarHBondContact OG-CB 3.47Å; S398-V400 PolarHBondContact OG-N 2.99Å; S398-V400 VanDerWaalsContact OG-N 3.13Å; S398-V400 PolarHBondContact OG-O 2.9Å; V400-E402 PolarHBondContact O-N 3.35Å | ||
| 401 | K | 62.7 | Low | 65.3 | Low | 190 Ų | 190 | 112.6 Ų | 112.6 | 83% | 0.826 | 57% | 0.565 | S | S | * | * | trans | -56.7 | 109.8 | 155.1 | -67.7 | -179.9 | -179.4 | 178.9 | 0 | 104.6 | F399 R403 | F399-K401 VanDerWaalsContact C-N 3.32Å; F399-K401 PolarHBondContact O-N 3.14Å; K401-R403 PolarHBondContact O-N 3.3Å | ||
| 402 | E | 57.7 | Low | 63.3 | Low | 173 Ų | 173 | 116.9 Ų | 116.9 | 81% | 0.808 | 60% | 0.595 | S | S | * | * | trans | -47.2 | 119.2 | 164.7 | -89.2 | 178.8 | 161.6 | 0 | 0 | 105.1 | V400 T404 | V400-E402 PolarHBondContact O-N 3.35Å; E402-T404 PolarHBondContact O-N 3.06Å | ||
| 403 | R | 50.4 | Low | 61.7 | Low | 226 Ų | 226 | 121.4 Ų | 121.4 | 85% | 0.853 | 63% | 0.626 | S | S | * | * | trans | -56.3 | 106.6 | 156.9 | -71.3 | -178.5 | -178.3 | 179.6 | -0.2 | 101.3 | K401 S405 | K401-R403 PolarHBondContact O-N 3.3Å; R403-S405 VanDerWaalsContact C-N 3.33Å; R403-S405 PolarHBondContact O-N 2.94Å | ||
| 404 | T | 48.3 | Very low | 60 | Low | 124 Ų | 124 | 128.2 Ų | 128.2 | 76% | 0.761 | 65% | 0.649 | S | S | * | * | trans | -37.9 | 116.4 | 158 | 45.5 | 0 | 0 | 0 | 0 | 102.6 | E402 D406 | E402-T404 PolarHBondContact O-N 3.06Å; T404-D406 PolarHBondContact O-N 2.92Å | ||
| 405 | S | 49.8 | Very low | 58.4 | Low | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 66% | 0.66 | S | S | * | * | trans | -31.2 | 133.4 | 178.3 | 47.4 | 0 | 0 | 0 | 0 | 106.9 | R403 D407 | R403-S405 VanDerWaalsContact C-N 3.33Å; R403-S405 PolarHBondContact O-N 2.94Å; S405-D407 PolarHBondContact O-N 3.17Å | ||
| 406 | D | 48.5 | Very low | 56.9 | Low | 147 Ų | 147 | 137.7 Ų | 137.7 | 79% | 0.786 | 67% | 0.67 | S | S | * | * | trans | -56.6 | 78.7 | 160.1 | -75.4 | -49 | 0 | 0 | 0 | 105.9 | T404 K408 | T404-D406 PolarHBondContact O-N 2.92Å; D406-K408 PolarHBondContact O-N 3.41Å | ||
| 407 | D | 48.7 | Very low | 55.4 | Low | 102 Ų | 102 | 146.1 Ų | 146.1 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | -49.4 | 81.2 | 128.6 | -132.7 | 8.6 | 0 | 0 | 0 | 100.3 | S405 P409 | S405-D407 PolarHBondContact O-N 3.17Å; D407-P409 VanDerWaalsContact C-N 3.31Å; D407-P409 WeakPolarHBondContact O-CA 3.34Å | |||
| 408 | K | 51.5 | Low | 53.8 | Low | 170 Ų | 170 | 146.1 Ų | 146.1 | 74% | 0.739 | 71% | 0.714 | S | S | * | * | trans | -32.4 | 113.7 | 153.4 | -74.5 | 177 | 177.5 | 176.7 | 0 | 101.4 | D406 K410 | D406-K408 PolarHBondContact O-N 3.41Å; K408-K410 VanDerWaalsContact C-N 3.27Å; K408-K410 WeakPolarHBondContact O-CA 3.43Å; K408-K410 PolarHBondContact O-N 3.47Å | ||
| 409 | P | 46.1 | Very low | 52.7 | Low | 116 Ų | 116 | 146.7 Ų | 146.7 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | trans | -47.2 | 108.2 | -166.5 | 14.1 | -29.3 | 0 | 0 | 0 | 104.1 | D407 R411 | D407-P409 VanDerWaalsContact C-N 3.31Å; D407-P409 WeakPolarHBondContact O-CA 3.34Å; P409-R411 PolarHBondContact O-N 3.36Å | ||
| 410 | K | 50.8 | Low | 51.9 | Low | 164 Ų | 164 | 147.6 Ų | 147.6 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -58.1 | 105.2 | 176.1 | -88.7 | 178.4 | -179 | 167.8 | 0 | 98.4 | K408 P412 | K408-K410 VanDerWaalsContact C-N 3.27Å; K408-K410 WeakPolarHBondContact O-CA 3.43Å; K408-K410 PolarHBondContact O-N 3.47Å; K410-P412 WeakPolarHBondContact O-CA 3.26Å; K410-P412 WeakPolarHBondContact O-CD 3.4Å | ||
| 411 | R | 47.7 | Very low | 51.3 | Low | 221 Ų | 221 | 150 Ų | 150 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | trans | -41.4 | 116.4 | -178.7 | -89.7 | -178.6 | 173.6 | -178.6 | -1.6 | 101.9 | P409 T413 | P409-R411 PolarHBondContact O-N 3.36Å; R411-T413 VanDerWaalsContact C-N 3.27Å; R411-T413 PolarHBondContact O-N 3.28Å | ||
| 412 | P | 45.6 | Very low | 51 | Low | 105 Ų | 105 | 145 Ų | 145 | 68% | 0.682 | 71% | 0.711 | S | S | * | * | trans | -52.5 | 113.3 | -174.9 | 17 | -28.9 | 0 | 0 | 0 | 102.5 | K410 R414 | K410-P412 WeakPolarHBondContact O-CA 3.26Å; K410-P412 WeakPolarHBondContact O-CD 3.4Å; P412-R414 PolarHBondContact O-N 3.05Å | ||
| 413 | T | 51.3 | Low | 51.1 | Low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | trans | -68.7 | 80.8 | 168.3 | 35.9 | 0 | 0 | 0 | 0 | 101.2 | R411 K415 | R411-T413 VanDerWaalsContact C-N 3.27Å; R411-T413 PolarHBondContact O-N 3.28Å; T413-K415 PolarHBondContact O-N 3.05Å | ||
| 414 | R | 51.1 | Low | 51.6 | Low | 184 Ų | 184 | 130.6 Ų | 130.6 | 69% | 0.694 | 66% | 0.658 | S | S | * | * | trans | -58.6 | 73.8 | 153.2 | -93.6 | -177.5 | 164.1 | 175.8 | -0.8 | 103.4 | P412 R416 | P412-R414 PolarHBondContact O-N 3.05Å; R414-R416 HydrophobicContact CB-CG 4.16Å; R414-R416 HydrophobicContact CG-CG 4.25Å; R414-R416 PolarHBondContact O-N 3.33Å | ||
| 415 | K | 53.2 | Low | 52 | Low | 197 Ų | 197 | 134.2 Ų | 134.2 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | -61.7 | 80 | 127.1 | -69.5 | -170.9 | 177.8 | -175.1 | 0 | 103.2 | T413 Q417 | T413-K415 PolarHBondContact O-N 3.05Å; K415-Q417 VanDerWaalsContact C-N 3.33Å; K415-Q417 PolarHBondContact O-N 3.46Å | |||
| 416 | R | 48.6 | Very low | 52.5 | Low | 180 Ų | 180 | 131.7 Ų | 131.7 | 68% | 0.679 | 65% | 0.653 | S | S | * | * | trans | -51 | 115.2 | 156.3 | -79 | 174.3 | 175.9 | 171.8 | -2.2 | 101.9 | R414 A418 | R414-R416 HydrophobicContact CB-CG 4.16Å; R414-R416 HydrophobicContact CG-CG 4.25Å; R414-R416 PolarHBondContact O-N 3.33Å; R416-A418 PolarHBondContact O-N 3.07Å; R416-A418 VanDerWaalsContact O-N 3.1Å | ||
| 417 | Q | 50.1 | Low | 52.9 | Low | 185 Ų | 185 | 131.7 Ų | 131.7 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 124.9 | 158.6 | -81.9 | 175 | -4 | 0 | 0 | 104.7 | K415 | K415-Q417 VanDerWaalsContact C-N 3.33Å; K415-Q417 PolarHBondContact O-N 3.46Å |
| 418 | A | 49.7 | Very low | 53.3 | Low | 61 Ų | 61 | 132.7 Ų | 132.7 | 50% | 0.504 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 132.8 | 179 | 0 | 0 | 0 | 0 | 0 | 107 | R416 E420 | R416-A418 PolarHBondContact O-N 3.07Å; R416-A418 VanDerWaalsContact O-N 3.1Å; A418-E420 PolarHBondContact O-N 2.88Å |
| 419 | P | 52.9 | Low | 53.8 | Low | 73 Ų | 73 | 127.9 Ų | 127.9 | 47% | 0.474 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -48.5 | 133.8 | 178.3 | -23.8 | 31.2 | 0 | 0 | 0 | 109.2 | D421 F422 | P419-D421 PolarHBondContact O-N 3.48Å; P419-F422 HydrophobicContact CB-CD2 4.06Å; P419-F422 HydrophobicContact CB-CE2 4.4Å; P419-F422 HydrophobicContact CG-CD2 4.06Å; P419-F422 HydrophobicContact CG-CE2 4.07Å; P419-F422 PolarHBondContact O-N 3.08Å |
| 420 | E | 55.3 | Low | 54.6 | Low | 159 Ų | 159 | 127 Ų | 127 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -54.5 | -18 | -178.1 | -71 | -171.6 | 161 | 0 | 0 | 113 | A418 F422 L423 | A418-E420 PolarHBondContact O-N 2.88Å; E420-F422 PolarHBondContact O-N 3.24Å; E420-L423 PolarHBondContact O-N 3.13Å; E420-L423 VanDerWaalsContact O-N 3.16Å |
| 421 | D | 58.1 | Low | 55.6 | Low | 145 Ų | 145 | 121.7 Ų | 121.7 | 78% | 0.775 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -63.8 | -20.3 | 172.9 | -69.2 | -23.9 | 0 | 0 | 0 | 114.3 | P419 | P419-D421 PolarHBondContact O-N 3.48Š|
| 422 | F | 54.8 | Low | 56.6 | Low | 85 Ų | 85 | 116.2 Ų | 116.2 | 37% | 0.373 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -83.2 | -15 | 175.1 | -77.2 | -87.3 | 0 | 0 | 0 | 112.8 | P419 E420 I431 F432 M433 | P419-F422 HydrophobicContact CB-CD2 4.06Å; P419-F422 HydrophobicContact CB-CE2 4.4Å; P419-F422 HydrophobicContact CG-CD2 4.06Å; P419-F422 HydrophobicContact CG-CE2 4.07Å; P419-F422 PolarHBondContact O-N 3.08Å; E420-F422 PolarHBondContact O-N 3.24Å; F422-I431 CarbonylContact O-C 3.56Å; F422-I431 WeakPolarHBondContact O-CA 3.22Å; F422-F432 VanDerWaalsContact CD1-O 3.25Å; F422-F432 WeakPolarHBondContact CD1-O 3.33Å; F422-F432 PolarHBondContact O-N 3.31Å; F422-M433 HydrophobicContact CD1-SD 3.78Å; F422-M433 HydrophobicContact CE1-SD 3.84Å |
| 423 | L | 60.6 | Low | 57.6 | Low | 84 Ų | 84 | 114 Ų | 114 | 44% | 0.44 | 58% | 0.575 | S | S | . | * | B | Isolated β-bridge | trans | -101.6 | 116.7 | -177.7 | -68.4 | 169 | 0 | 0 | 0 | 109.6 | E420 K425 I431 | E420-L423 PolarHBondContact O-N 3.13Å; E420-L423 VanDerWaalsContact O-N 3.16Å; L423-K425 PolarHBondContact O-N 2.97Å; L423-I431 HydrophobicContact CD2-CG1 4.41Å |
| 424 | G | 60.6 | Low | 58.5 | Low | 12 Ų | 12 | 111.5 Ų | 111.5 | 12% | 0.124 | 58% | 0.576 | C | S | . | * | trans | -58.3 | 127.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G426 K430 | G424-G426 PolarHBondContact O-N 3.44Å; G424-K430 PolarHBondContact N-O 3.33Å | ||
| 425 | K | 58.3 | Low | 59.8 | Low | 200 Ų | 200 | 107 Ų | 107 | 87% | 0.87 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -77.4 | 47.4 | 175.5 | -60 | -176.3 | -179.4 | -178.2 | 0 | 111.6 | L423 | L423-K425 PolarHBondContact O-N 2.97Š|
| 426 | G | 58.8 | Low | 61 | Low | 42 Ų | 42 | 104.1 Ų | 104.1 | 43% | 0.433 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -114.4 | 170.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G424 E428 | G424-G426 PolarHBondContact O-N 3.44Å; G426-E428 PolarHBondContact O-N 3.16Å; G426-E428 VanDerWaalsContact O-N 3.17Å |
| 427 | P | 56.8 | Low | 62.3 | Low | 146 Ų | 146 | 100.4 Ų | 100.4 | 95% | 0.948 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -62.7 | -18.7 | 178.2 | 24.2 | -32 | 0 | 0 | 0 | 113.4 | ||
| 428 | E | 57.7 | Low | 63.6 | Low | 123 Ų | 123 | 95.7 Ų | 95.7 | 58% | 0.575 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -111.5 | 127 | 167.5 | -66.9 | -176.2 | 161.7 | 0 | 0 | 110.2 | G426 K430 | G426-E428 PolarHBondContact O-N 3.16Å; G426-E428 VanDerWaalsContact O-N 3.17Å; E428-K430 PolarHBondContact O-N 3.35Å; E428-K430 WeakPolarHBondContact OE2-CE 3.15Å; E428-K430 IonicContact OE2-NZ 2.74Å |
| 429 | P | 60.9 | Low | 64.9 | Low | 69 Ų | 69 | 93.6 Ų | 93.6 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | trans | -72 | 90.4 | 179.8 | 29.4 | -33.4 | 0 | 0 | 0 | 110.1 | ||||
| 430 | K | 64.8 | Low | 66.2 | Low | 99 Ų | 99 | 97.6 Ų | 97.6 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | trans | -88.8 | 131.7 | 174.8 | -66.5 | -177.5 | -176.8 | -179 | 0 | 110.2 | G424 E428 F432 N443 | G424-K430 PolarHBondContact N-O 3.33Å; E428-K430 PolarHBondContact O-N 3.35Å; E428-K430 WeakPolarHBondContact OE2-CE 3.15Å; E428-K430 IonicContact OE2-NZ 2.74Å; K430-F432 PolarHBondContact O-N 3.25Å; K430-N443 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 431 | I | 69.9 | Low | 67.2 | Low | 52 Ų | 52 | 94.6 Ų | 94.6 | 27% | 0.267 | 51% | 0.506 | S | S | . | . | B | Isolated β-bridge | trans | -83.8 | 112.4 | 176.7 | -56.2 | 173.4 | 0 | 0 | 0 | 108.8 | F422 L423 M433 N443 | F422-I431 CarbonylContact O-C 3.56Å; F422-I431 WeakPolarHBondContact O-CA 3.22Å; L423-I431 HydrophobicContact CD2-CG1 4.41Å; I431-M433 HydrophobicContact CB-CE 4.39Å; I431-M433 HydrophobicContact CG2-CE 3.36Å; I431-M433 HydrophobicContact CG2-SD 3.94Å; I431-N443 PolarHBondContact N-ND2 2.87Å; I431-N443 PolarHBondContact N-OD1 3.03Å; I431-N443 PolarHBondContact O-ND2 3.34Å |
| 432 | F | 69.1 | Low | 68 | Low | 105 Ų | 105 | 94.8 Ų | 94.8 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | trans | -87.3 | 119.3 | -179.4 | -79 | -73.3 | 0 | 0 | 0 | 111.1 | F422 K430 T439 | F422-F432 VanDerWaalsContact CD1-O 3.25Å; F422-F432 WeakPolarHBondContact CD1-O 3.33Å; F422-F432 PolarHBondContact O-N 3.31Å; K430-F432 PolarHBondContact O-N 3.25Å; F432-T439 HydrophobicContact CD1-CG2 3.79Å; F432-T439 HydrophobicContact CE1-CG2 4.17Å | ||
| 433 | M | 66.1 | Low | 68.9 | Low | 58 Ų | 58 | 93 Ų | 93 | 29% | 0.286 | 49% | 0.49 | S | S | . | . | trans | -109.1 | 19.7 | -176.9 | -124.5 | 62.9 | 93.2 | 0 | 0 | 113.6 | F422 I431 N435 L438 T439 W442 | F422-M433 HydrophobicContact CD1-SD 3.78Å; F422-M433 HydrophobicContact CE1-SD 3.84Å; I431-M433 HydrophobicContact CB-CE 4.39Å; I431-M433 HydrophobicContact CG2-CE 3.36Å; I431-M433 HydrophobicContact CG2-SD 3.94Å; M433-N435 PolarHBondContact O-N 2.61Å; M433-L438 HydrophobicContact CB-CB 3.96Å; M433-T439 PolarHBondContact N-OG1 3.12Å; M433-W442 HydrophobicContact CE-CB 3.86Å; M433-W442 HydrophobicContact CE-CD2 3.53Å; M433-W442 HydrophobicContact CE-CE3 4.45Å; M433-W442 HydrophobicContact CE-CG 3.19Å; M433-W442 VanDerWaalsContact CE-NE1 3.32Å | ||
| 434 | G | 70.8 | Confident | 69.5 | Low | 83 Ų | 83 | 94.4 Ų | 94.4 | 86% | 0.856 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 76.4 | -31.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 435 | N | 79.2 | Confident | 69.8 | Low | 88 Ų | 88 | 98.2 Ų | 98.2 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -107 | 139.9 | 171.1 | -176.7 | -23.7 | 0 | 0 | 0 | 109.8 | M433 E437 L438 T439 | M433-N435 PolarHBondContact O-N 2.61Å; N435-E437 PolarHBondContact O-N 3.17Å; N435-E437 PolarHBondContact OD1-N 2.7Å; N435-E437 VanDerWaalsContact OD1-N 3.17Å; N435-L438 HydrophobicContact CB-CB 4.25Å; N435-L438 HydrophobicContact CB-CD1 4.1Å; N435-L438 HydrophobicContact CB-CG 4.43Å; N435-L438 PolarHBondContact O-N 3.08Å; N435-T439 WeakPolarHBondContact O-CB 3.33Å; N435-T439 PolarHBondContact O-N 3Å; N435-T439 PolarHBondContact O-OG1 2.89Å |
| 436 | D | 77 | Confident | 70 | Confident | 137 Ų | 137 | 96.1 Ų | 96.1 | 73% | 0.733 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -40.6 | -176.6 | -65.6 | -23.2 | 0 | 0 | 0 | 112.7 | T439 R440 | D436-T439 PolarHBondContact O-N 3.35Å; D436-R440 WeakPolarHBondContact O-CB 3.49Å; D436-R440 PolarHBondContact O-N 2.83Å |
| 437 | E | 77.7 | Confident | 70.3 | Confident | 102 Ų | 102 | 97.5 Ų | 97.5 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | 177.4 | -75.6 | -59.8 | 151.5 | 0 | 0 | 112.2 | N435 R440 L441 | N435-E437 PolarHBondContact O-N 3.17Å; N435-E437 PolarHBondContact OD1-N 2.7Å; N435-E437 VanDerWaalsContact OD1-N 3.17Å; E437-R440 PolarHBondContact O-N 3.45Å; E437-R440 IonicContact OE2-CZ 3.84Å; E437-R440 IonicContact OE2-NE 3.98Å; E437-R440 PolarHBondContact OE2-NE 3.44Å; E437-R440 IonicContact OE2-NH2 3.72Å; E437-R440 PolarHBondContact OE2-NH2 2.81Å; E437-L441 WeakPolarHBondContact O-CB 2.97Å; E437-L441 WeakPolarHBondContact O-CG 3.47Å; E437-L441 PolarHBondContact O-N 3.01Å |
| 438 | L | 75.5 | Confident | 70.8 | Confident | 87 Ų | 87 | 96.3 Ų | 96.3 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 175.4 | -77.1 | 169 | 0 | 0 | 0 | 111.2 | M433 N435 R440 L441 W442 | M433-L438 HydrophobicContact CB-CB 3.96Å; N435-L438 HydrophobicContact CB-CB 4.25Å; N435-L438 HydrophobicContact CB-CD1 4.1Å; N435-L438 HydrophobicContact CB-CG 4.43Å; N435-L438 PolarHBondContact O-N 3.08Å; L438-R440 VanDerWaalsContact C-N 3.33Å; L438-L441 PolarHBondContact O-N 3.19Å; L438-W442 VanDerWaalsContact O-CB 3.27Å; L438-W442 WeakPolarHBondContact O-CB 3.38Å; L438-W442 PolarHBondContact O-N 3.42Å |
| 439 | T | 78.4 | Confident | 71.1 | Confident | 16 Ų | 16 | 96.5 Ų | 96.5 | 10% | 0.098 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 173.3 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | F432 M433 N435 D436 N443 | F432-T439 HydrophobicContact CD1-CG2 3.79Å; F432-T439 HydrophobicContact CE1-CG2 4.17Å; M433-T439 PolarHBondContact N-OG1 3.12Å; N435-T439 WeakPolarHBondContact O-CB 3.33Å; N435-T439 PolarHBondContact O-N 3Å; N435-T439 PolarHBondContact O-OG1 2.89Å; D436-T439 PolarHBondContact O-N 3.35Å; T439-N443 WeakPolarHBondContact O-CB 3.41Å; T439-N443 PolarHBondContact O-N 3.2Å; T439-N443 PolarHBondContact O-ND2 3.43Å |
| 440 | R | 80.3 | Confident | 71.4 | Confident | 158 Ų | 158 | 99.4 Ų | 99.4 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -53 | 174.1 | -173.1 | 176.9 | 74.2 | 132.7 | -2.7 | 111.6 | D436 E437 L438 W442 N443 L444 | D436-R440 WeakPolarHBondContact O-CB 3.49Å; D436-R440 PolarHBondContact O-N 2.83Å; E437-R440 PolarHBondContact O-N 3.45Å; E437-R440 IonicContact OE2-CZ 3.84Å; E437-R440 IonicContact OE2-NE 3.98Å; E437-R440 PolarHBondContact OE2-NE 3.44Å; E437-R440 IonicContact OE2-NH2 3.72Å; E437-R440 PolarHBondContact OE2-NH2 2.81Å; L438-R440 VanDerWaalsContact C-N 3.33Å; R440-W442 VanDerWaalsContact C-N 3.29Å; R440-W442 PolarHBondContact O-N 3.26Å; R440-N443 PolarHBondContact O-N 3.41Å; R440-L444 PolarHBondContact O-N 3.22Å |
| 441 | L | 76.1 | Confident | 71.5 | Confident | 96 Ų | 96 | 95.2 Ų | 95.2 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | -177.9 | -72.4 | 173.5 | 0 | 0 | 0 | 112.5 | E437 L438 N443 L444 | E437-L441 WeakPolarHBondContact O-CB 2.97Å; E437-L441 WeakPolarHBondContact O-CG 3.47Å; E437-L441 PolarHBondContact O-N 3.01Å; L438-L441 PolarHBondContact O-N 3.19Å; L441-N443 VanDerWaalsContact C-N 3.3Å; L441-N443 PolarHBondContact O-N 3.02Å; L441-L444 HydrophobicContact CD2-CD1 3.84Å |
| 442 | W | 74.3 | Confident | 71.2 | Confident | 148 Ų | 148 | 96.4 Ų | 96.4 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -78.7 | -14.9 | -177.2 | -145.9 | -95.4 | 0 | 0 | 0 | 114.1 | M433 L438 R440 | M433-W442 HydrophobicContact CE-CB 3.86Å; M433-W442 HydrophobicContact CE-CD2 3.53Å; M433-W442 HydrophobicContact CE-CE3 4.45Å; M433-W442 HydrophobicContact CE-CG 3.19Å; M433-W442 VanDerWaalsContact CE-NE1 3.32Å; L438-W442 VanDerWaalsContact O-CB 3.27Å; L438-W442 WeakPolarHBondContact O-CB 3.38Å; L438-W442 PolarHBondContact O-N 3.42Å; R440-W442 VanDerWaalsContact C-N 3.29Å; R440-W442 PolarHBondContact O-N 3.26Å |
| 443 | N | 74.8 | Confident | 71.2 | Confident | 49 Ų | 49 | 99.3 Ų | 99.3 | 26% | 0.262 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 10.5 | 176.4 | -66.7 | -56.1 | 0 | 0 | 0 | 113 | K430 I431 T439 R440 L441 N445 | K430-N443 WeakPolarHBondContact CA-OD1 3.45Å; I431-N443 PolarHBondContact N-ND2 2.87Å; I431-N443 PolarHBondContact N-OD1 3.03Å; I431-N443 PolarHBondContact O-ND2 3.34Å; T439-N443 WeakPolarHBondContact O-CB 3.41Å; T439-N443 PolarHBondContact O-N 3.2Å; T439-N443 PolarHBondContact O-ND2 3.43Å; R440-N443 PolarHBondContact O-N 3.41Å; L441-N443 VanDerWaalsContact C-N 3.3Å; L441-N443 PolarHBondContact O-N 3.02Å; N443-N445 PolarHBondContact O-N 3.46Å |
| 444 | L | 72.1 | Confident | 71.4 | Confident | 112 Ų | 112 | 99 Ų | 99 | 59% | 0.586 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -59.5 | -36.1 | 174.8 | -84 | 164.5 | 0 | 0 | 0 | 112.1 | R440 L441 | R440-L444 PolarHBondContact O-N 3.22Å; L441-L444 HydrophobicContact CD2-CD1 3.84Å |
| 445 | N | 66.5 | Low | 71.1 | Confident | 92 Ų | 92 | 103.2 Ų | 103.2 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | trans | -152 | 140.8 | 172.4 | -72.7 | -62.6 | 0 | 0 | 0 | 109.3 | N443 A451 | N443-N445 PolarHBondContact O-N 3.46Å; N445-A451 HydrophobicContact CB-CB 3.72Å; N445-A451 WeakPolarHBondContact ND2-CB 3.43Å | ||
| 446 | Q | 62.1 | Low | 70.5 | Confident | 157 Ų | 157 | 103.5 Ų | 103.5 | 73% | 0.734 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -71.2 | -33.4 | -179.1 | -72.5 | -177.5 | 7.3 | 0 | 0 | 112.9 | ||
| 447 | D | 65.6 | Low | 70 | Confident | 71 Ų | 71 | 103.4 Ų | 103.4 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | trans | -119.8 | 124.6 | 174.3 | -172.2 | 2.7 | 0 | 0 | 0 | 111 | M449 E450 A451 | D447-M449 PolarHBondContact O-N 3.45Å; D447-M449 PolarHBondContact OD1-N 2.92Å; D447-E450 HydrophobicContact CB-CB 4.13Å; D447-E450 HydrophobicContact CB-CG 4.05Å; D447-E450 PolarHBondContact O-N 2.7Å; D447-A451 PolarHBondContact O-N 3.46Å | ||
| 448 | N | 68.1 | Low | 69.5 | Low | 121 Ų | 121 | 104.8 Ų | 104.8 | 65% | 0.647 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -29.6 | 175.4 | -72.5 | -34.8 | 0 | 0 | 0 | 111.8 | C452 | N448-C452 PolarHBondContact O-N 2.71Å; N448-C452 VanDerWaalsContact O-N 3.15Å; N448-C452 PolarHBondContact O-SG 2.85Å |
| 449 | M | 64.6 | Low | 69.2 | Low | 127 Ų | 127 | 109 Ų | 109 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -73.8 | -36.2 | 178.2 | -66.1 | -61.2 | -64.6 | 0 | 0 | 111.9 | D447 C452 K453 | D447-M449 PolarHBondContact O-N 3.45Å; D447-M449 PolarHBondContact OD1-N 2.92Å; M449-C452 PolarHBondContact O-N 3.12Å; M449-K453 PolarHBondContact O-N 3.14Å |
| 450 | E | 66.7 | Low | 68.8 | Low | 129 Ų | 129 | 111.5 Ų | 111.5 | 60% | 0.603 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.4 | -39 | 172.8 | -68.8 | -174.5 | 161.1 | 0 | 0 | 111.6 | D447 C452 K453 | D447-E450 HydrophobicContact CB-CB 4.13Å; D447-E450 HydrophobicContact CB-CG 4.05Å; D447-E450 PolarHBondContact O-N 2.7Å; E450-C452 PolarHBondContact O-N 3.4Å; E450-K453 WeakPolarHBondContact O-CB 3.3Å; E450-K453 PolarHBondContact O-N 3.38Å |
| 451 | A | 66 | Low | 68.7 | Low | 11 Ų | 11 | 106.2 Ų | 106.2 | 9% | 0.091 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -56.3 | -35.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N445 D447 K453 S454 R457 | N445-A451 HydrophobicContact CB-CB 3.72Å; N445-A451 WeakPolarHBondContact ND2-CB 3.43Å; D447-A451 PolarHBondContact O-N 3.46Å; A451-K453 VanDerWaalsContact C-N 3.26Å; A451-K453 PolarHBondContact O-N 2.92Å; A451-S454 PolarHBondContact O-N 3.05Å; A451-R457 WeakPolarHBondContact O-CD 3.4Å |
| 452 | C | 65.2 | Low | 68.8 | Low | 78 Ų | 78 | 104.3 Ų | 104.3 | 53% | 0.527 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -10.7 | 176.5 | -66.9 | 0 | 0 | 0 | 0 | 114.3 | N448 M449 E450 R457 | N448-C452 PolarHBondContact O-N 2.71Å; N448-C452 VanDerWaalsContact O-N 3.15Å; N448-C452 PolarHBondContact O-SG 2.85Å; M449-C452 PolarHBondContact O-N 3.12Å; E450-C452 PolarHBondContact O-N 3.4Å; C452-R457 PolarHBondContact SG-NH1 3.31Å |
| 453 | K | 68.3 | Low | 68.8 | Low | 165 Ų | 165 | 98.5 Ų | 98.5 | 72% | 0.717 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.4 | 175.8 | -68.4 | 173.6 | 177.8 | 175.5 | 0 | 113.4 | M449 E450 A451 E455 | M449-K453 PolarHBondContact O-N 3.14Å; E450-K453 WeakPolarHBondContact O-CB 3.3Å; E450-K453 PolarHBondContact O-N 3.38Å; A451-K453 VanDerWaalsContact C-N 3.26Å; A451-K453 PolarHBondContact O-N 2.92Å; K453-E455 PolarHBondContact O-N 3.33Å |
| 454 | S | 69.4 | Low | 68.8 | Low | 53 Ų | 53 | 100.1 Ų | 100.1 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | trans | -61.4 | 133.8 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | A451 S456 R457 | A451-S454 PolarHBondContact O-N 3.05Å; S454-S456 PolarHBondContact O-N 3.12Å; S454-S456 PolarHBondContact OG-N 2.69Å; S454-S456 PolarHBondContact OG-OG 2.79Å; S454-R457 WeakPolarHBondContact O-CB 3.41Å; S454-R457 PolarHBondContact O-N 2.85Å | ||
| 455 | E | 65.8 | Low | 69 | Low | 170 Ų | 170 | 101.6 Ų | 101.6 | 79% | 0.794 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -57.7 | -28.5 | 175.1 | -66.1 | -179.8 | 173.1 | 0 | 0 | 112.2 | K453 R457 E458 | K453-E455 PolarHBondContact O-N 3.33Å; E455-R457 PolarHBondContact O-N 3.02Å; E455-R457 VanDerWaalsContact O-N 3.14Å; E455-E458 WeakPolarHBondContact O-CB 2.91Å; E455-E458 PolarHBondContact O-N 2.74Å |
| 456 | S | 65.8 | Low | 69.7 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 66% | 0.664 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -62.3 | -18.2 | 173.3 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | S454 | S454-S456 PolarHBondContact O-N 3.12Å; S454-S456 PolarHBondContact OG-N 2.69Å; S454-S456 PolarHBondContact OG-OG 2.79Å |
| 457 | R | 66.2 | Low | 70.5 | Confident | 135 Ų | 135 | 91.3 Ų | 91.3 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -99.1 | 0 | 174.7 | -73.7 | -169.9 | 163.4 | -163.7 | -3.6 | 113.3 | A451 C452 S454 E455 F459 | A451-R457 WeakPolarHBondContact O-CD 3.4Å; C452-R457 PolarHBondContact SG-NH1 3.31Å; S454-R457 WeakPolarHBondContact O-CB 3.41Å; S454-R457 PolarHBondContact O-N 2.85Å; E455-R457 PolarHBondContact O-N 3.02Å; E455-R457 VanDerWaalsContact O-N 3.14Å; R457-F459 HydrophobicContact CB-CE2 4.15Å; R457-F459 HydrophobicContact CB-CZ 4.38Å; R457-F459 HydrophobicContact CG-CE2 4.36Å; R457-F459 HydrophobicContact CG-CZ 4.23Å; R457-F459 WeakPolarHBondContact O-CD2 3.1Å; R457-F459 WeakPolarHBondContact O-CE2 3.32Å; R457-F459 PolarHBondContact O-N 3.36Å |
| 458 | E | 67.6 | Low | 71.1 | Confident | 131 Ų | 131 | 90 Ų | 90 | 61% | 0.612 | 46% | 0.463 | S | S | * | . | trans | -74.3 | 79 | 164.6 | -68.3 | -157.2 | 172.2 | 0 | 0 | 109.5 | E455 M460 R503 | E455-E458 WeakPolarHBondContact O-CB 2.91Å; E455-E458 PolarHBondContact O-N 2.74Å; E458-M460 PolarHBondContact O-N 3Å; E458-R503 IonicContact OE2-NH2 3.42Å | ||
| 459 | F | 68.9 | Low | 71.4 | Confident | 175 Ų | 175 | 89.3 Ų | 89.3 | 77% | 0.768 | 46% | 0.455 | S | S | * | . | trans | -70.3 | 7.6 | 176.6 | -53.5 | -72.7 | 0 | 0 | 0 | 113.7 | R457 P461 | R457-F459 HydrophobicContact CB-CE2 4.15Å; R457-F459 HydrophobicContact CB-CZ 4.38Å; R457-F459 HydrophobicContact CG-CE2 4.36Å; R457-F459 HydrophobicContact CG-CZ 4.23Å; R457-F459 WeakPolarHBondContact O-CD2 3.1Å; R457-F459 WeakPolarHBondContact O-CE2 3.32Å; R457-F459 PolarHBondContact O-N 3.36Å; F459-P461 WeakPolarHBondContact O-CD 3.22Å | ||
| 460 | M | 71.5 | Confident | 71.9 | Confident | 68 Ų | 68 | 83.3 Ų | 83.3 | 34% | 0.335 | 43% | 0.426 | S | S | . | . | trans | -92.7 | 110.7 | -177.7 | -175.1 | 174.1 | -64.2 | 0 | 0 | 109 | E458 L499 R503 | E458-M460 PolarHBondContact O-N 3Å; M460-L499 HydrophobicContact CG-CD1 3.57Å; M460-L499 HydrophobicContact SD-CD1 3.97Å; M460-R503 HydrophobicContact SD-CG 4.07Å | ||
| 461 | P | 77.2 | Confident | 72.3 | Confident | 47 Ų | 47 | 79 Ų | 79 | 31% | 0.305 | 41% | 0.407 | S | S | . | . | trans | -65.7 | 156.3 | 178.7 | 28.9 | -34.9 | 0 | 0 | 0 | 110.8 | F459 F466 L499 | F459-P461 WeakPolarHBondContact O-CD 3.22Å; P461-F466 HydrophobicContact CB-CB 4.24Å; P461-F466 HydrophobicContact CG-CB 4.07Å; P461-F466 HydrophobicContact CG-CD2 3.97Å; P461-F466 HydrophobicContact CG-CG 4.32Å; P461-L499 HydrophobicContact CG-CD2 4.39Å | ||
| 462 | S | 78.6 | Confident | 72.6 | Confident | 56 Ų | 56 | 84.6 Ų | 84.6 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | trans | -65.9 | 157.4 | 171.6 | 69.9 | 0 | 0 | 0 | 0 | 110.8 | D464 E465 F466 | S462-D464 PolarHBondContact O-N 3.27Å; S462-E465 WeakPolarHBondContact OG-CB 3.49Å; S462-E465 PolarHBondContact OG-N 3.01Å; S462-F466 WeakPolarHBondContact O-CB 3.48Å; S462-F466 PolarHBondContact O-N 3.44Å; S462-F466 VanDerWaalsContact O-N 3.11Å | ||
| 463 | L | 74.6 | Confident | 72.8 | Confident | 26 Ų | 26 | 82.5 Ų | 82.5 | 14% | 0.136 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 176 | -73.8 | 172.3 | 0 | 0 | 0 | 110.7 | F467 L499 L500 R503 L529 | L463-F467 HydrophobicContact CD2-CD2 4.15Å; L463-F467 HydrophobicContact CD2-CE2 3.82Å; L463-F467 WeakPolarHBondContact O-CB 3.42Å; L463-F467 VanDerWaalsContact O-CD2 3.31Å; L463-F467 WeakPolarHBondContact O-CD2 3.34Å; L463-F467 PolarHBondContact O-N 3.38Å; L463-L499 HydrophobicContact CD2-CD2 3.99Å; L463-L499 HydrophobicContact CD2-CG 3.82Å; L463-L500 HydrophobicContact CD2-CD2 4.04Å; L463-R503 HydrophobicContact CD1-CB 3.8Å; L463-R503 HydrophobicContact CD2-CB 4.25Å; L463-R503 HydrophobicContact CG-CB 3.92Å; L463-L529 HydrophobicContact CD1-CD2 4.44Å |
| 464 | D | 73.7 | Confident | 72.6 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 44% | 0.444 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.7 | -45.9 | -176 | -56 | -17.8 | 0 | 0 | 0 | 111.1 | S462 A468 L533 | S462-D464 PolarHBondContact O-N 3.27Å; D464-A468 WeakPolarHBondContact O-CB 3.42Å; D464-A468 PolarHBondContact O-N 2.9Å; D464-L533 HydrophobicContact CB-CD2 3.96Å; D464-L533 WeakPolarHBondContact OD1-CD1 3.43Å |
| 465 | E | 77.6 | Confident | 72.6 | Confident | 144 Ų | 144 | 77.5 Ų | 77.5 | 67% | 0.673 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.3 | -39.5 | -179.4 | -165.6 | 179.3 | -164.1 | 0 | 0 | 112.4 | S462 | S462-E465 WeakPolarHBondContact OG-CB 3.49Å; S462-E465 PolarHBondContact OG-N 3.01Å |
| 466 | F | 79.8 | Confident | 72.3 | Confident | 32 Ų | 32 | 75 Ų | 75 | 14% | 0.14 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -74 | -31.7 | -179.5 | -175.3 | -94.7 | 0 | 0 | 0 | 113.5 | P461 S462 Y492 R495 A496 L499 | P461-F466 HydrophobicContact CB-CB 4.24Å; P461-F466 HydrophobicContact CG-CB 4.07Å; P461-F466 HydrophobicContact CG-CD2 3.97Å; P461-F466 HydrophobicContact CG-CG 4.32Å; S462-F466 WeakPolarHBondContact O-CB 3.48Å; S462-F466 PolarHBondContact O-N 3.44Å; S462-F466 VanDerWaalsContact O-N 3.11Å; F466-Y492 HydrophobicContact CD1-CE2 4.32Å; F466-Y492 HydrophobicContact CE1-CD2 4.2Å; F466-Y492 HydrophobicContact CE1-CE1 4.33Å; F466-Y492 AromaticContact CE1-CE2 3.59Å; F466-Y492 HydrophobicContact CE1-CE2 3.59Å; F466-Y492 AromaticContact CE1-CZ 3.67Å; F466-Y492 HydrophobicContact CE2-CE2 4.16Å; F466-Y492 AromaticContact CZ-CD2 3.77Å; F466-Y492 HydrophobicContact CZ-CD2 3.77Å; F466-Y492 AromaticContact CZ-CE2 3.49Å; F466-Y492 HydrophobicContact CZ-CE2 3.49Å; F466-Y492 VanDerWaalsContact CZ-CE2 3.49Å; F466-Y492 PolarHBondContact O-OH 3.05Å; F466-R495 HydrophobicContact CE2-CB 4.41Å; F466-R495 HydrophobicContact CZ-CB 3.79Å; F466-A496 HydrophobicContact CE1-CB 3.91Å; F466-L499 HydrophobicContact CB-CD2 3.63Å; F466-L499 HydrophobicContact CD1-CD2 3.71Å; F466-L499 HydrophobicContact CG-CD2 3.68Å |
| 467 | F | 80.1 | Confident | 71.8 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 0% | 0.004 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -97.7 | -3.2 | 179.8 | -72.4 | -76.2 | 0 | 0 | 0 | 113.9 | L463 E469 A470 I471 Y492 A496 L499 L500 V526 L529 | L463-F467 HydrophobicContact CD2-CD2 4.15Å; L463-F467 HydrophobicContact CD2-CE2 3.82Å; L463-F467 WeakPolarHBondContact O-CB 3.42Å; L463-F467 VanDerWaalsContact O-CD2 3.31Å; L463-F467 WeakPolarHBondContact O-CD2 3.34Å; L463-F467 PolarHBondContact O-N 3.38Å; F467-E469 VanDerWaalsContact C-N 3.35Å; F467-E469 PolarHBondContact O-N 2.59Å; F467-A470 HydrophobicContact CD1-CB 4.27Å; F467-A470 CarbonylContact O-C 3.57Å; F467-A470 WeakPolarHBondContact O-CA 3.47Å; F467-A470 PolarHBondContact O-N 2.9Å; F467-I471 HydrophobicContact CB-CD1 4.07Å; F467-I471 HydrophobicContact CB-CG1 4.31Å; F467-I471 WeakPolarHBondContact O-CB 3.24Å; F467-I471 VanDerWaalsContact O-CG1 3.24Å; F467-I471 WeakPolarHBondContact O-CG1 3.31Å; F467-I471 PolarHBondContact O-N 2.85Å; F467-Y492 WeakPolarHBondContact CD1-OH 3.35Å; F467-Y492 HydrophobicContact CE1-CE1 4.38Å; F467-A496 HydrophobicContact CE1-CB 3.65Å; F467-A496 HydrophobicContact CZ-CB 3.56Å; F467-L499 HydrophobicContact CE2-CD2 4.29Å; F467-L500 HydrophobicContact CE2-CD2 3.78Å; F467-L500 HydrophobicContact CE2-CG 3.93Å; F467-L500 HydrophobicContact CZ-CD1 3.85Å; F467-L500 HydrophobicContact CZ-CD2 3.93Å; F467-L500 HydrophobicContact CZ-CG 3.7Å; F467-V526 HydrophobicContact CD1-CG2 3.65Å; F467-V526 HydrophobicContact CE1-CG2 4.01Å; F467-L529 HydrophobicContact CD2-CD1 4.14Å; F467-L529 HydrophobicContact CE2-CD1 4.38Å; F467-L529 HydrophobicContact CG-CD1 4.49Å |
| 468 | A | 77 | Confident | 71.5 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 36% | 0.355 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -48.8 | -51.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D464 A470 I471 E472 | D464-A468 WeakPolarHBondContact O-CB 3.42Å; D464-A468 PolarHBondContact O-N 2.9Å; A468-A470 VanDerWaalsContact C-N 3.34Å; A468-A470 PolarHBondContact O-N 3.02Å; A468-I471 PolarHBondContact O-N 3.14Å; A468-E472 WeakPolarHBondContact O-CG 3.38Å; A468-E472 PolarHBondContact O-N 3.38Å |
| 469 | E | 75.9 | Confident | 71 | Confident | 106 Ų | 106 | 75.7 Ų | 75.7 | 50% | 0.495 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 178.4 | -173.2 | -176.2 | 176.2 | 0 | 0 | 112.3 | F467 Q473 V486 | F467-E469 VanDerWaalsContact C-N 3.35Å; F467-E469 PolarHBondContact O-N 2.59Å; E469-Q473 WeakPolarHBondContact O-CB 3.22Å; E469-Q473 WeakPolarHBondContact O-CG 3.49Å; E469-Q473 PolarHBondContact O-N 2.96Å; E469-Q473 PolarHBondContact OE1-NE2 3.41Å; E469-V486 HydrophobicContact CG-CG2 4.37Å; E469-V486 WeakPolarHBondContact OE1-CG2 3.35Å |
| 470 | A | 73.6 | Confident | 70.5 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 2% | 0.017 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.2 | -31.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F467 A468 A474 V487 Y492 V526 | F467-A470 HydrophobicContact CD1-CB 4.27Å; F467-A470 CarbonylContact O-C 3.57Å; F467-A470 WeakPolarHBondContact O-CA 3.47Å; F467-A470 PolarHBondContact O-N 2.9Å; A468-A470 VanDerWaalsContact C-N 3.34Å; A468-A470 PolarHBondContact O-N 3.02Å; A470-A474 VanDerWaalsContact O-CB 3.3Å; A470-A474 WeakPolarHBondContact O-CB 2.88Å; A470-A474 PolarHBondContact O-N 3.48Å; A470-A474 VanDerWaalsContact O-N 3.1Å; A470-V487 HydrophobicContact CB-CG2 4Å; A470-Y492 HydrophobicContact CB-CE1 4.31Å; A470-Y492 WeakPolarHBondContact CB-OH 3.46Å; A470-V526 HydrophobicContact CB-CG1 4.31Å; A470-V526 HydrophobicContact CB-CG2 4.16Å |
| 471 | I | 74.9 | Confident | 70 | Confident | 39 Ų | 39 | 73.2 Ų | 73.2 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71.4 | -44.2 | 175.5 | -68.3 | 167.3 | 0 | 0 | 0 | 109.8 | F467 A468 Q473 A474 D475 V526 A530 | F467-I471 HydrophobicContact CB-CD1 4.07Å; F467-I471 HydrophobicContact CB-CG1 4.31Å; F467-I471 WeakPolarHBondContact O-CB 3.24Å; F467-I471 VanDerWaalsContact O-CG1 3.24Å; F467-I471 WeakPolarHBondContact O-CG1 3.31Å; F467-I471 PolarHBondContact O-N 2.85Å; A468-I471 PolarHBondContact O-N 3.14Å; I471-Q473 PolarHBondContact O-N 3.46Å; I471-A474 PolarHBondContact O-N 3.15Å; I471-A474 VanDerWaalsContact O-N 3.17Å; I471-D475 PolarHBondContact O-N 3.29Å; I471-V526 HydrophobicContact CB-CG1 4.37Å; I471-V526 HydrophobicContact CG1-CG1 3.68Å; I471-A530 HydrophobicContact CG1-CB 4.26Å; I471-A530 HydrophobicContact CG2-CB 3.76Å |
| 472 | E | 72.6 | Confident | 69.2 | Low | 127 Ų | 127 | 76.7 Ų | 76.7 | 59% | 0.593 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.8 | -39.9 | 174.8 | -74.5 | -176.4 | 173.9 | 0 | 0 | 112.4 | A468 A474 D475 N478 | A468-E472 WeakPolarHBondContact O-CG 3.38Å; A468-E472 PolarHBondContact O-N 3.38Å; E472-A474 VanDerWaalsContact C-N 3.27Å; E472-A474 PolarHBondContact O-N 3.46Å; E472-D475 PolarHBondContact O-N 3.36Å; E472-N478 PolarHBondContact O-ND2 3.17Å |
| 473 | Q | 70.3 | Confident | 68.2 | Low | 35 Ų | 35 | 81.3 Ų | 81.3 | 16% | 0.164 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -72.4 | -18.2 | 175.4 | -70.7 | 173.1 | 11.1 | 0 | 0 | 113.6 | E469 I471 V480 V486 | E469-Q473 WeakPolarHBondContact O-CB 3.22Å; E469-Q473 WeakPolarHBondContact O-CG 3.49Å; E469-Q473 PolarHBondContact O-N 2.96Å; E469-Q473 PolarHBondContact OE1-NE2 3.41Å; I471-Q473 PolarHBondContact O-N 3.46Å; Q473-V480 HydrophobicContact CG-CG2 4.35Å; Q473-V486 VanDerWaalsContact NE2-CG2 3.32Å; Q473-V486 VanDerWaalsContact OE1-CG2 3.27Å |
| 474 | A | 64.7 | Low | 67.8 | Low | 32 Ų | 32 | 88 Ų | 88 | 26% | 0.264 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -84.3 | -14.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | A470 I471 E472 P476 V526 | A470-A474 VanDerWaalsContact O-CB 3.3Å; A470-A474 WeakPolarHBondContact O-CB 2.88Å; A470-A474 PolarHBondContact O-N 3.48Å; A470-A474 VanDerWaalsContact O-N 3.1Å; I471-A474 PolarHBondContact O-N 3.15Å; I471-A474 VanDerWaalsContact O-N 3.17Å; E472-A474 VanDerWaalsContact C-N 3.27Å; E472-A474 PolarHBondContact O-N 3.46Å; A474-P476 WeakPolarHBondContact O-CD 3.12Å; A474-V526 HydrophobicContact CB-CG1 4.16Å |
| 475 | D | 67.8 | Low | 67.7 | Low | 81 Ų | 81 | 86.2 Ų | 86.2 | 43% | 0.433 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -72.3 | 122.4 | 175.6 | -163.6 | -35 | 0 | 0 | 0 | 110.8 | I471 E472 V477 N478 | I471-D475 PolarHBondContact O-N 3.29Å; E472-D475 PolarHBondContact O-N 3.36Å; D475-V477 PolarHBondContact O-N 2.83Å; D475-V477 WeakPolarHBondContact OD1-CG2 3.41Å; D475-V477 PolarHBondContact OD1-N 3.11Å; D475-V477 VanDerWaalsContact OD1-N 3.12Å; D475-N478 PolarHBondContact O-N 3.2Å |
| 476 | P | 60.3 | Low | 67.3 | Low | 116 Ų | 116 | 80.6 Ų | 80.6 | 75% | 0.753 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -57.6 | -17.4 | 179.6 | -24.6 | 33.6 | 0 | 0 | 0 | 115.5 | A474 | A474-P476 WeakPolarHBondContact O-CD 3.12Š|
| 477 | V | 55.4 | Low | 67 | Low | 115 Ų | 115 | 79.3 Ų | 79.3 | 70% | 0.697 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -74.2 | -28.7 | -179.6 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | D475 M479 | D475-V477 PolarHBondContact O-N 2.83Å; D475-V477 WeakPolarHBondContact OD1-CG2 3.41Å; D475-V477 PolarHBondContact OD1-N 3.11Å; D475-V477 VanDerWaalsContact OD1-N 3.12Å; V477-M479 VanDerWaalsContact C-N 3.3Å; V477-M479 PolarHBondContact O-N 3.26Å |
| 478 | N | 60.3 | Low | 66.6 | Low | 86 Ų | 86 | 84.5 Ų | 84.5 | 46% | 0.46 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -82.3 | -1.6 | -173.6 | -74.5 | -21.9 | 0 | 0 | 0 | 114.5 | E472 D475 V480 | E472-N478 PolarHBondContact O-ND2 3.17Å; D475-N478 PolarHBondContact O-N 3.2Å; N478-V480 HydrophobicContact CB-CG2 4.36Å; N478-V480 PolarHBondContact O-N 2.96Å |
| 479 | M | 57.3 | Low | 66.7 | Low | 176 Ų | 176 | 86.3 Ų | 86.3 | 87% | 0.867 | 43% | 0.432 | S | S | * | . | trans | 43.1 | 41.2 | 174 | -64.2 | -153.2 | 176.7 | 0 | 0 | 115.5 | V477 | V477-M479 VanDerWaalsContact C-N 3.3Å; V477-M479 PolarHBondContact O-N 3.26Å | ||
| 480 | V | 58.2 | Low | 66.6 | Low | 58 Ų | 58 | 85.5 Ų | 85.5 | 35% | 0.352 | 44% | 0.436 | S | S | . | . | trans | -82.1 | 124.5 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | Q473 N478 | Q473-V480 HydrophobicContact CG-CG2 4.35Å; N478-V480 HydrophobicContact CB-CG2 4.36Å; N478-V480 PolarHBondContact O-N 2.96Å | ||
| 481 | E | 59.3 | Low | 66.9 | Low | 133 Ų | 133 | 91.2 Ų | 91.2 | 62% | 0.621 | 47% | 0.466 | S | S | * | . | trans | -60.4 | 139.9 | 175.8 | -73.9 | 179 | 177.2 | 0 | 0 | 111.4 | E483 Y484 | E481-E483 PolarHBondContact O-N 3.45Å; E481-Y484 HydrophobicContact CB-CD2 4Å; E481-Y484 PolarHBondContact O-N 3.36Å | ||
| 482 | E | 60.9 | Low | 67.2 | Low | 119 Ų | 119 | 90.5 Ų | 90.5 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.2 | -173 | -74.7 | -170.7 | 178.4 | 0 | 0 | 114.6 | Y484 R488 | E482-Y484 VanDerWaalsContact C-N 3.34Å; E482-R488 WeakPolarHBondContact O-CD 3.24Å; E482-R488 PolarHBondContact O-NH1 3.42Å; E482-R488 IonicContact OE2-CZ 3.28Å; E482-R488 IonicContact OE2-NH1 3.08Å; E482-R488 IonicContact OE2-NH2 2.69Å; E482-R488 PolarHBondContact OE2-NH2 3.45Å |
| 483 | E | 59 | Low | 67.6 | Low | 154 Ų | 154 | 84.5 Ų | 84.5 | 72% | 0.72 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -25.4 | -179.4 | -64.6 | -177 | 173.8 | 0 | 0 | 113 | E481 | E481-E483 PolarHBondContact O-N 3.45Š|
| 484 | Y | 65.1 | Low | 68.1 | Low | 167 Ų | 167 | 89.5 Ų | 89.5 | 66% | 0.655 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -96.8 | 0.8 | -178.1 | -64.8 | -82.5 | 0 | 0 | 0 | 113.4 | E481 E482 V486 | E481-Y484 HydrophobicContact CB-CD2 4Å; E481-Y484 PolarHBondContact O-N 3.36Å; E482-Y484 VanDerWaalsContact C-N 3.34Å; Y484-V486 PolarHBondContact O-N 2.98Å |
| 485 | K | 70.8 | Confident | 68.9 | Low | 45 Ų | 45 | 95.3 Ų | 95.3 | 20% | 0.196 | 47% | 0.466 | C | S | . | . | trans | -63.9 | 128.3 | 175.4 | -70.6 | -175.6 | 174.8 | -176.2 | 0 | 110.8 | V487 R488 | K485-V487 PolarHBondContact O-N 2.9Å; K485-V487 VanDerWaalsContact O-N 3.1Å; K485-R488 PolarHBondContact O-N 3.28Å | ||
| 486 | V | 70.7 | Confident | 69.6 | Low | 25 Ų | 25 | 91.5 Ų | 91.5 | 15% | 0.152 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -60.6 | -26.6 | -178.4 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | E469 Q473 Y484 R488 N489 Y492 | E469-V486 HydrophobicContact CG-CG2 4.37Å; E469-V486 WeakPolarHBondContact OE1-CG2 3.35Å; Q473-V486 VanDerWaalsContact NE2-CG2 3.32Å; Q473-V486 VanDerWaalsContact OE1-CG2 3.27Å; Y484-V486 PolarHBondContact O-N 2.98Å; V486-R488 PolarHBondContact O-N 3.28Å; V486-N489 WeakPolarHBondContact O-CB 3.45Å; V486-N489 PolarHBondContact O-N 3.05Å; V486-Y492 HydrophobicContact CG1-CD1 3.6Å; V486-Y492 HydrophobicContact CG1-CD2 3.32Å; V486-Y492 HydrophobicContact CG1-CE1 3.84Å; V486-Y492 HydrophobicContact CG1-CE2 3.59Å; V486-Y492 HydrophobicContact CG1-CG 3.32Å; V486-Y492 WeakPolarHBondContact O-CB 3.35Å; V486-Y492 WeakPolarHBondContact O-CD1 3.28Å |
| 487 | V | 71.9 | Confident | 70.6 | Confident | 6 Ų | 6 | 87.8 Ų | 87.8 | 4% | 0.036 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -60.9 | -27.3 | 174.4 | 179.2 | 0 | 0 | 0 | 0 | 113.6 | A470 K485 A519 L522 | A470-V487 HydrophobicContact CB-CG2 4Å; K485-V487 PolarHBondContact O-N 2.9Å; K485-V487 VanDerWaalsContact O-N 3.1Å; V487-A519 HydrophobicContact CG1-CB 4.29Å; V487-A519 WeakPolarHBondContact CG1-O 3.39Å; V487-L522 HydrophobicContact CG1-CB 3.35Å; V487-L522 HydrophobicContact CG1-CD1 4.2Å; V487-L522 HydrophobicContact CG1-CG 4.42Å |
| 488 | R | 72.2 | Confident | 71.9 | Confident | 109 Ų | 109 | 90 Ų | 90 | 41% | 0.411 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -84.2 | -12.7 | 175.3 | -75.6 | -169.3 | 174.7 | 164 | 2.1 | 113.5 | E482 K485 V486 P490 A519 | E482-R488 WeakPolarHBondContact O-CD 3.24Å; E482-R488 PolarHBondContact O-NH1 3.42Å; E482-R488 IonicContact OE2-CZ 3.28Å; E482-R488 IonicContact OE2-NH1 3.08Å; E482-R488 IonicContact OE2-NH2 2.69Å; E482-R488 PolarHBondContact OE2-NH2 3.45Å; K485-R488 PolarHBondContact O-N 3.28Å; V486-R488 PolarHBondContact O-N 3.28Å; R488-P490 WeakPolarHBondContact O-CD 3.27Å; R488-A519 HydrophobicContact CG-CB 3.82Å |
| 489 | N | 79.3 | Confident | 72.9 | Confident | 81 Ų | 81 | 86.5 Ų | 86.5 | 43% | 0.433 | 40% | 0.396 | S | S | . | . | trans | -69 | 121.4 | 174.5 | -174.4 | -30.3 | 0 | 0 | 0 | 109.7 | V486 N491 Y492 G493 | V486-N489 WeakPolarHBondContact O-CB 3.45Å; V486-N489 PolarHBondContact O-N 3.05Å; N489-N491 VanDerWaalsContact C-N 3.29Å; N489-N491 PolarHBondContact O-N 3.25Å; N489-N491 PolarHBondContact OD1-N 3.18Å; N489-Y492 PolarHBondContact O-N 3.19Å; N489-G493 PolarHBondContact O-N 2.97Å | ||
| 490 | P | 74.4 | Confident | 74 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 58% | 0.584 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.6 | -39.2 | -177 | -24.9 | 33.7 | 0 | 0 | 0 | 113.5 | R488 G493 W494 | R488-P490 WeakPolarHBondContact O-CD 3.27Å; P490-G493 PolarHBondContact O-N 2.94Å; P490-W494 PolarHBondContact O-N 3.18Å |
| 491 | N | 78.9 | Confident | 75 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 65% | 0.647 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70 | -40.2 | -178.2 | -74.3 | -26.2 | 0 | 0 | 0 | 111.7 | N489 R495 | N489-N491 VanDerWaalsContact C-N 3.29Å; N489-N491 PolarHBondContact O-N 3.25Å; N489-N491 PolarHBondContact OD1-N 3.18Å; N491-R495 VanDerWaalsContact O-CG 3.28Å; N491-R495 WeakPolarHBondContact O-CG 3.27Å; N491-R495 PolarHBondContact O-N 3.01Å |
| 492 | Y | 82.7 | Confident | 75.9 | Confident | 24 Ų | 24 | 80 Ų | 80 | 9% | 0.094 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 173.8 | -176.3 | -93.8 | 0 | 0 | 0 | 110.5 | F466 F467 A470 V486 N489 W494 R495 A496 | F466-Y492 HydrophobicContact CD1-CE2 4.32Å; F466-Y492 HydrophobicContact CE1-CD2 4.2Å; F466-Y492 HydrophobicContact CE1-CE1 4.33Å; F466-Y492 AromaticContact CE1-CE2 3.59Å; F466-Y492 HydrophobicContact CE1-CE2 3.59Å; F466-Y492 AromaticContact CE1-CZ 3.67Å; F466-Y492 HydrophobicContact CE2-CE2 4.16Å; F466-Y492 AromaticContact CZ-CD2 3.77Å; F466-Y492 HydrophobicContact CZ-CD2 3.77Å; F466-Y492 AromaticContact CZ-CE2 3.49Å; F466-Y492 HydrophobicContact CZ-CE2 3.49Å; F466-Y492 VanDerWaalsContact CZ-CE2 3.49Å; F466-Y492 PolarHBondContact O-OH 3.05Å; F467-Y492 WeakPolarHBondContact CD1-OH 3.35Å; F467-Y492 HydrophobicContact CE1-CE1 4.38Å; A470-Y492 HydrophobicContact CB-CE1 4.31Å; A470-Y492 WeakPolarHBondContact CB-OH 3.46Å; V486-Y492 HydrophobicContact CG1-CD1 3.6Å; V486-Y492 HydrophobicContact CG1-CD2 3.32Å; V486-Y492 HydrophobicContact CG1-CE1 3.84Å; V486-Y492 HydrophobicContact CG1-CE2 3.59Å; V486-Y492 HydrophobicContact CG1-CG 3.32Å; V486-Y492 WeakPolarHBondContact O-CB 3.35Å; V486-Y492 WeakPolarHBondContact O-CD1 3.28Å; N489-Y492 PolarHBondContact O-N 3.19Å; Y492-W494 VanDerWaalsContact C-N 3.32Å; Y492-W494 PolarHBondContact O-N 2.89Å; Y492-R495 PolarHBondContact O-N 3.35Å; Y492-R495 VanDerWaalsContact O-N 3.07Å; Y492-A496 HydrophobicContact CD1-CB 4.33Å; Y492-A496 HydrophobicContact CE1-CB 4.21Å; Y492-A496 VanDerWaalsContact O-CB 3.22Å; Y492-A496 WeakPolarHBondContact O-CB 3.44Å; Y492-A496 PolarHBondContact O-N 3.41Å |
| 493 | G | 80.4 | Confident | 76.6 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59 | -40.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N489 P490 L497 L522 | N489-G493 PolarHBondContact O-N 2.97Å; P490-G493 PolarHBondContact O-N 2.94Å; G493-L497 VanDerWaalsContact O-CB 3.29Å; G493-L497 WeakPolarHBondContact O-CB 3.26Å; G493-L497 PolarHBondContact O-N 3.34Å; G493-L522 VanDerWaalsContact CA-CD1 3.41Å |
| 494 | W | 80.6 | Confident | 77.3 | Confident | 141 Ų | 141 | 73.7 Ų | 73.7 | 53% | 0.534 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69 | -36.7 | 174.6 | -79.9 | 113.8 | 0 | 0 | 0 | 113.4 | P490 Y492 L497 R498 | P490-W494 PolarHBondContact O-N 3.18Å; Y492-W494 VanDerWaalsContact C-N 3.32Å; Y492-W494 PolarHBondContact O-N 2.89Å; W494-L497 HydrophobicContact CE3-CD2 4.27Å; W494-L497 HydrophobicContact CZ3-CD2 4.15Å; W494-R498 WeakPolarHBondContact O-CG 3.44Å; W494-R498 PolarHBondContact O-N 3.36Å |
| 495 | R | 80.8 | Confident | 77.5 | Confident | 154 Ų | 154 | 70.6 Ų | 70.6 | 58% | 0.581 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -68.3 | -45.7 | 175.2 | -71.7 | 172.6 | 69.9 | -179.5 | 1.5 | 111 | F466 N491 Y492 L497 R498 L499 | F466-R495 HydrophobicContact CE2-CB 4.41Å; F466-R495 HydrophobicContact CZ-CB 3.79Å; N491-R495 VanDerWaalsContact O-CG 3.28Å; N491-R495 WeakPolarHBondContact O-CG 3.27Å; N491-R495 PolarHBondContact O-N 3.01Å; Y492-R495 PolarHBondContact O-N 3.35Å; Y492-R495 VanDerWaalsContact O-N 3.07Å; R495-L497 PolarHBondContact O-N 3.45Å; R495-R498 PolarHBondContact O-N 3.45Å; R495-L499 PolarHBondContact O-N 2.89Å |
| 496 | A | 82.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.5 | -49.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F466 F467 Y492 R498 L499 L500 L522 | F466-A496 HydrophobicContact CE1-CB 3.91Å; F467-A496 HydrophobicContact CE1-CB 3.65Å; F467-A496 HydrophobicContact CZ-CB 3.56Å; Y492-A496 HydrophobicContact CD1-CB 4.33Å; Y492-A496 HydrophobicContact CE1-CB 4.21Å; Y492-A496 VanDerWaalsContact O-CB 3.22Å; Y492-A496 WeakPolarHBondContact O-CB 3.44Å; Y492-A496 PolarHBondContact O-N 3.41Å; A496-R498 PolarHBondContact O-N 3.35Å; A496-L499 PolarHBondContact O-N 3.26Å; A496-L500 WeakPolarHBondContact O-CB 3.36Å; A496-L500 VanDerWaalsContact O-CG 3.26Å; A496-L500 WeakPolarHBondContact O-CG 3.32Å; A496-L500 PolarHBondContact O-N 3.48Å; A496-L522 HydrophobicContact CB-CD1 4.1Å; A496-L522 HydrophobicContact CB-CD2 3.8Å |
| 497 | L | 81 | Confident | 77.3 | Confident | 38 Ų | 38 | 71.7 Ų | 71.7 | 20% | 0.199 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | -179.8 | -168.8 | 74.8 | 0 | 0 | 0 | 112.3 | G493 W494 R495 S501 F507 L518 Y521 | G493-L497 VanDerWaalsContact O-CB 3.29Å; G493-L497 WeakPolarHBondContact O-CB 3.26Å; G493-L497 PolarHBondContact O-N 3.34Å; W494-L497 HydrophobicContact CE3-CD2 4.27Å; W494-L497 HydrophobicContact CZ3-CD2 4.15Å; R495-L497 PolarHBondContact O-N 3.45Å; L497-S501 WeakPolarHBondContact O-CB 3.44Å; L497-S501 PolarHBondContact O-N 3.08Å; L497-F507 HydrophobicContact CD1-CE2 3.58Å; L497-F507 HydrophobicContact CD1-CZ 3.98Å; L497-F507 HydrophobicContact CG-CE2 4.19Å; L497-F507 HydrophobicContact CG-CZ 4.31Å; L497-L518 HydrophobicContact CB-CD1 4.38Å; L497-L518 HydrophobicContact CD1-CD1 3.85Å; L497-L518 HydrophobicContact CD2-CD1 4.13Å; L497-L518 HydrophobicContact CG-CD1 4.36Å; L497-Y521 HydrophobicContact CD1-CD1 4.03Å; L497-Y521 HydrophobicContact CD1-CE1 3.66Å |
| 498 | R | 82.4 | Confident | 77.2 | Confident | 162 Ų | 162 | 79.2 Ų | 79.2 | 61% | 0.611 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 176.3 | -71.4 | 177.7 | -150.7 | 164.8 | 6.4 | 111.5 | W494 R495 A496 S501 R502 | W494-R498 WeakPolarHBondContact O-CG 3.44Å; W494-R498 PolarHBondContact O-N 3.36Å; R495-R498 PolarHBondContact O-N 3.45Å; A496-R498 PolarHBondContact O-N 3.35Å; R498-S501 PolarHBondContact O-N 3.41Å; R498-S501 PolarHBondContact O-OG 2.8Å; R498-R502 WeakPolarHBondContact O-CG 3.11Å; R498-R502 PolarHBondContact O-N 3.02Å |
| 499 | L | 82.7 | Confident | 77.1 | Confident | 12 Ų | 12 | 78.9 Ų | 78.9 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 178.7 | -170.5 | 64.8 | 0 | 0 | 0 | 111.2 | M460 P461 L463 F466 F467 R495 A496 S501 R502 R503 | M460-L499 HydrophobicContact CG-CD1 3.57Å; M460-L499 HydrophobicContact SD-CD1 3.97Å; P461-L499 HydrophobicContact CG-CD2 4.39Å; L463-L499 HydrophobicContact CD2-CD2 3.99Å; L463-L499 HydrophobicContact CD2-CG 3.82Å; F466-L499 HydrophobicContact CB-CD2 3.63Å; F466-L499 HydrophobicContact CD1-CD2 3.71Å; F466-L499 HydrophobicContact CG-CD2 3.68Å; F467-L499 HydrophobicContact CE2-CD2 4.29Å; R495-L499 PolarHBondContact O-N 2.89Å; A496-L499 PolarHBondContact O-N 3.26Å; L499-S501 VanDerWaalsContact C-N 3.33Å; L499-S501 PolarHBondContact O-N 2.83Å; L499-R502 PolarHBondContact O-N 3.36Å; L499-R502 VanDerWaalsContact O-N 3.15Å; L499-R503 HydrophobicContact CD1-CG 4.45Å; L499-R503 PolarHBondContact O-N 3.03Å |
| 500 | L | 80.3 | Confident | 76.1 | Confident | 1 Ų | 1 | 81.3 Ų | 81.3 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 176.4 | -69.7 | 170 | 0 | 0 | 0 | 111.8 | L463 F467 A496 R502 S504 F507 L522 M525 L529 | L463-L500 HydrophobicContact CD2-CD2 4.04Å; F467-L500 HydrophobicContact CE2-CD2 3.78Å; F467-L500 HydrophobicContact CE2-CG 3.93Å; F467-L500 HydrophobicContact CZ-CD1 3.85Å; F467-L500 HydrophobicContact CZ-CD2 3.93Å; F467-L500 HydrophobicContact CZ-CG 3.7Å; A496-L500 WeakPolarHBondContact O-CB 3.36Å; A496-L500 VanDerWaalsContact O-CG 3.26Å; A496-L500 WeakPolarHBondContact O-CG 3.32Å; A496-L500 PolarHBondContact O-N 3.48Å; L500-R502 PolarHBondContact O-N 2.64Å; L500-R502 VanDerWaalsContact O-N 3.14Å; L500-S504 WeakPolarHBondContact O-CA 3.45Å; L500-S504 WeakPolarHBondContact O-CB 3.32Å; L500-S504 PolarHBondContact O-N 3.09Å; L500-F507 HydrophobicContact CB-CD2 3.84Å; L500-F507 HydrophobicContact CB-CE2 4.31Å; L500-L522 HydrophobicContact CD1-CD2 3.53Å; L500-M525 HydrophobicContact CD1-CB 4.3Å; L500-L529 HydrophobicContact CD2-CD1 3.71Å |
| 501 | S | 79.9 | Confident | 75.4 | Confident | 40 Ų | 40 | 79.9 Ų | 79.9 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -23.8 | -180 | 72.8 | 0 | 0 | 0 | 0 | 114.5 | L497 R498 L499 | L497-S501 WeakPolarHBondContact O-CB 3.44Å; L497-S501 PolarHBondContact O-N 3.08Å; R498-S501 PolarHBondContact O-N 3.41Å; R498-S501 PolarHBondContact O-OG 2.8Å; L499-S501 VanDerWaalsContact C-N 3.33Å; L499-S501 PolarHBondContact O-N 2.83Å |
| 502 | R | 77.6 | Confident | 74.4 | Confident | 191 Ų | 191 | 82.4 Ų | 82.4 | 72% | 0.721 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -101.9 | -34 | -175.6 | -62.9 | -177.7 | 87.2 | 143.5 | 4.5 | 113.2 | R498 L499 L500 | R498-R502 WeakPolarHBondContact O-CG 3.11Å; R498-R502 PolarHBondContact O-N 3.02Å; L499-R502 PolarHBondContact O-N 3.36Å; L499-R502 VanDerWaalsContact O-N 3.15Å; L500-R502 PolarHBondContact O-N 2.64Å; L500-R502 VanDerWaalsContact O-N 3.14Å |
| 503 | R | 75.7 | Confident | 73.5 | Confident | 132 Ų | 132 | 86.9 Ų | 86.9 | 50% | 0.498 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -110.3 | -24.3 | -173.9 | -68.8 | -74.5 | -168.8 | 154.1 | 1.4 | 113.5 | E458 M460 L463 L499 P505 | E458-R503 IonicContact OE2-NH2 3.42Å; M460-R503 HydrophobicContact SD-CG 4.07Å; L463-R503 HydrophobicContact CD1-CB 3.8Å; L463-R503 HydrophobicContact CD2-CB 4.25Å; L463-R503 HydrophobicContact CG-CB 3.92Å; L499-R503 HydrophobicContact CD1-CG 4.45Å; L499-R503 PolarHBondContact O-N 3.03Å; R503-P505 WeakPolarHBondContact O-CD 3.42Å |
| 504 | S | 73.6 | Confident | 72.5 | Confident | 8 Ų | 8 | 96.5 Ų | 96.5 | 6% | 0.056 | 45% | 0.448 | C | S | . | . | trans | -87.3 | 119.8 | -178.5 | -175.3 | 0 | 0 | 0 | 0 | 111 | L500 H506 F507 | L500-S504 WeakPolarHBondContact O-CA 3.45Å; L500-S504 WeakPolarHBondContact O-CB 3.32Å; L500-S504 PolarHBondContact O-N 3.09Å; S504-H506 PolarHBondContact O-N 3.02Å; S504-H506 PolarHBondContact OG-N 3.28Å; S504-F507 PolarHBondContact O-N 3.07Å | ||
| 505 | P | 68 | Low | 71.8 | Confident | 101 Ų | 101 | 92.9 Ų | 92.9 | 66% | 0.656 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15 | 173.6 | 27.7 | -32.6 | 0 | 0 | 0 | 112.5 | R503 | R503-P505 WeakPolarHBondContact O-CD 3.42Š|
| 506 | H | 65.8 | Low | 71 | Confident | 47 Ų | 47 | 95.3 Ų | 95.3 | 22% | 0.218 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -8.3 | -178.6 | -60 | -68.8 | 0 | 0 | 0 | 113.8 | S504 F508 Q509 E532 | S504-H506 PolarHBondContact O-N 3.02Å; S504-H506 PolarHBondContact OG-N 3.28Å; H506-F508 PolarHBondContact O-N 3.46Å; H506-Q509 PolarHBondContact ND1-NE2 2.96Å; H506-Q509 VanDerWaalsContact ND1-NE2 3.2Å; H506-Q509 PolarHBondContact ND1-OE1 3.22Å; H506-Q509 PolarHBondContact O-N 3.04Å; H506-E532 IonicContact CD2-OE2 3.5Å; H506-E532 IonicContact CE1-OE1 3.73Å; H506-E532 IonicContact NE2-OE1 3.67Å; H506-E532 PolarHBondContact NE2-OE1 3.04Å; H506-E532 IonicContact NE2-OE2 2.87Å; H506-E532 PolarHBondContact NE2-OE2 3.38Å |
| 507 | F | 72.6 | Confident | 70.6 | Confident | 47 Ų | 47 | 97.7 Ų | 97.7 | 21% | 0.206 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -40.3 | -176.5 | -170.7 | -94.3 | 0 | 0 | 0 | 113.3 | L497 L500 S504 Y521 | L497-F507 HydrophobicContact CD1-CE2 3.58Å; L497-F507 HydrophobicContact CD1-CZ 3.98Å; L497-F507 HydrophobicContact CG-CE2 4.19Å; L497-F507 HydrophobicContact CG-CZ 4.31Å; L500-F507 HydrophobicContact CB-CD2 3.84Å; L500-F507 HydrophobicContact CB-CE2 4.31Å; S504-F507 PolarHBondContact O-N 3.07Å; F507-Y521 WeakPolarHBondContact CD2-OH 3.25Å; F507-Y521 HydrophobicContact CE2-CE1 4.17Å; F507-Y521 WeakPolarHBondContact CE2-OH 3.45Å |
| 508 | F | 70 | Confident | 70.4 | Confident | 164 Ų | 164 | 98.6 Ų | 98.6 | 72% | 0.719 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 10.4 | -178.4 | -65.5 | -72.2 | 0 | 0 | 0 | 113.8 | H506 | H506-F508 PolarHBondContact O-N 3.46Š|
| 509 | Q | 69.3 | Low | 70 | Confident | 101 Ų | 101 | 91.6 Ų | 91.6 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -72.4 | 130.9 | 177.1 | -70.8 | -175.5 | -9.3 | 0 | 0 | 110.2 | H506 T511 | H506-Q509 PolarHBondContact ND1-NE2 2.96Å; H506-Q509 VanDerWaalsContact ND1-NE2 3.2Å; H506-Q509 PolarHBondContact ND1-OE1 3.22Å; H506-Q509 PolarHBondContact O-N 3.04Å; Q509-T511 PolarHBondContact O-N 3.28Å; Q509-T511 PolarHBondContact O-OG1 2.87Å; Q509-T511 VanDerWaalsContact O-OG1 3.08Å |
| 510 | P | 58.9 | Low | 69.7 | Low | 132 Ų | 132 | 94.3 Ų | 94.3 | 86% | 0.857 | 46% | 0.464 | S | S | * | . | trans | -60.1 | 99.4 | 178.8 | -18.7 | 29.6 | 0 | 0 | 0 | 110 | ||||
| 511 | T | 60.1 | Low | 69.6 | Low | 60 Ų | 60 | 95.5 Ų | 95.5 | 37% | 0.368 | 47% | 0.468 | S | S | . | . | trans | -92.7 | 118.5 | 177.1 | -10.5 | 0 | 0 | 0 | 0 | 107.7 | Q509 Q513 | Q509-T511 PolarHBondContact O-N 3.28Å; Q509-T511 PolarHBondContact O-OG1 2.87Å; Q509-T511 VanDerWaalsContact O-OG1 3.08Å; T511-Q513 PolarHBondContact O-N 3.24Å | ||
| 512 | N | 57.8 | Low | 69.4 | Low | 175 Ų | 175 | 93.6 Ų | 93.6 | 94% | 0.936 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -68.9 | 3.8 | 174.6 | -87.9 | -31.9 | 0 | 0 | 0 | 113.5 | ||
| 513 | Q | 62.5 | Low | 69.3 | Low | 117 Ų | 117 | 86.3 Ų | 86.3 | 55% | 0.547 | 43% | 0.43 | S | S | . | . | trans | -92.9 | 120 | 175.4 | -80.6 | 178.3 | -16.6 | 0 | 0 | 110.7 | T511 F515 | T511-Q513 PolarHBondContact O-N 3.24Å; Q513-F515 HydrophobicContact CB-CE2 4.38Å; Q513-F515 HydrophobicContact CB-CZ 4.16Å; Q513-F515 PolarHBondContact O-N 3.44Å | ||
| 514 | K | 61.3 | Low | 69.3 | Low | 204 Ų | 204 | 82.3 Ų | 82.3 | 89% | 0.887 | 42% | 0.421 | S | S | * | . | trans | -80.4 | 105.7 | 167.3 | -66.8 | -176.6 | -179.3 | -179.3 | 0 | 108.5 | ||||
| 515 | F | 63.8 | Low | 69.3 | Low | 65 Ų | 65 | 82.3 Ų | 82.3 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | trans | -69.9 | 136 | 173.7 | -59.2 | -80.8 | 0 | 0 | 0 | 110 | Q513 Y521 T524 | Q513-F515 HydrophobicContact CB-CE2 4.38Å; Q513-F515 HydrophobicContact CB-CZ 4.16Å; Q513-F515 PolarHBondContact O-N 3.44Å; F515-Y521 AromaticContact CD1-CD2 3.98Å; F515-Y521 HydrophobicContact CD1-CD2 3.98Å; F515-Y521 HydrophobicContact CD1-CG 4.46Å; F515-Y521 AromaticContact CD2-CD2 3.51Å; F515-Y521 HydrophobicContact CD2-CD2 3.51Å; F515-Y521 HydrophobicContact CD2-CE2 4.21Å; F515-Y521 HydrophobicContact CD2-CG 4.37Å; F515-Y521 AromaticContact CE1-CD2 3.89Å; F515-Y521 HydrophobicContact CE1-CD2 3.89Å; F515-Y521 AromaticContact CE2-CD2 3.43Å; F515-Y521 HydrophobicContact CE2-CD2 3.43Å; F515-Y521 VanDerWaalsContact CE2-CD2 3.43Å; F515-Y521 AromaticContact CE2-CE2 3.83Å; F515-Y521 HydrophobicContact CE2-CE2 3.83Å; F515-Y521 AromaticContact CG-CD2 3.8Å; F515-Y521 HydrophobicContact CG-CD2 3.8Å; F515-Y521 HydrophobicContact CG-CG 4.31Å; F515-Y521 AromaticContact CZ-CD2 3.63Å; F515-Y521 HydrophobicContact CZ-CD2 3.63Å; F515-Y521 HydrophobicContact CZ-CE2 4.16Å; F515-T524 HydrophobicContact CE1-CG2 4.46Å | ||
| 516 | K | 65.1 | Low | 69.6 | Low | 204 Ų | 204 | 77.5 Ų | 77.5 | 89% | 0.887 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -87 | -34.8 | 180 | -68.4 | -178 | -178.4 | 175.9 | 0 | 112.1 | ||
| 517 | S | 75.1 | Confident | 70 | Confident | 51 Ų | 51 | 78.1 Ų | 78.1 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -135.9 | 158.4 | 176.6 | 80.2 | 0 | 0 | 0 | 0 | 111.9 | A519 D520 Y521 | S517-A519 VanDerWaalsContact C-N 3.27Å; S517-A519 PolarHBondContact O-N 2.81Å; S517-D520 WeakPolarHBondContact CB-OD2 2.97Å; S517-D520 PolarHBondContact N-OD2 3.31Å; S517-D520 PolarHBondContact O-N 2.76Å; S517-D520 PolarHBondContact OG-N 2.95Å; S517-D520 PolarHBondContact OG-OD1 3.09Å; S517-D520 PolarHBondContact OG-OD2 3.36Å; S517-Y521 PolarHBondContact O-N 3.35Å |
| 518 | L | 75.8 | Confident | 70 | Confident | 57 Ų | 57 | 79.9 Ų | 79.9 | 30% | 0.298 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 176.4 | 177.7 | 60.6 | 0 | 0 | 0 | 111.8 | L497 Y521 L522 | L497-L518 HydrophobicContact CB-CD1 4.38Å; L497-L518 HydrophobicContact CD1-CD1 3.85Å; L497-L518 HydrophobicContact CD2-CD1 4.13Å; L497-L518 HydrophobicContact CG-CD1 4.36Å; L518-Y521 HydrophobicContact CD1-CD1 4.41Å; L518-Y521 PolarHBondContact O-N 3Å; L518-L522 HydrophobicContact CD1-CD1 4.12Å; L518-L522 HydrophobicContact CD1-CG 4.15Å; L518-L522 HydrophobicContact CG-CD1 3.96Å; L518-L522 HydrophobicContact CG-CG 4.42Å; L518-L522 WeakPolarHBondContact O-CB 2.97Å; L518-L522 VanDerWaalsContact O-CG 3.3Å; L518-L522 WeakPolarHBondContact O-CG 3.44Å; L518-L522 PolarHBondContact O-N 3.45Å |
| 519 | A | 74.7 | Confident | 70.1 | Confident | 14 Ų | 14 | 73 Ų | 73 | 12% | 0.116 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V487 R488 S517 Y521 L522 D523 | V487-A519 HydrophobicContact CG1-CB 4.29Å; V487-A519 WeakPolarHBondContact CG1-O 3.39Å; R488-A519 HydrophobicContact CG-CB 3.82Å; S517-A519 VanDerWaalsContact C-N 3.27Å; S517-A519 PolarHBondContact O-N 2.81Å; A519-Y521 VanDerWaalsContact C-N 3.27Å; A519-Y521 PolarHBondContact O-N 3.38Å; A519-L522 PolarHBondContact O-N 2.78Å; A519-D523 PolarHBondContact O-N 3.33Å |
| 520 | D | 76.4 | Confident | 70 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 178.7 | -53.1 | -37.7 | 0 | 0 | 0 | 112.2 | S517 T524 | S517-D520 WeakPolarHBondContact CB-OD2 2.97Å; S517-D520 PolarHBondContact N-OD2 3.31Å; S517-D520 PolarHBondContact O-N 2.76Å; S517-D520 PolarHBondContact OG-N 2.95Å; S517-D520 PolarHBondContact OG-OD1 3.09Å; S517-D520 PolarHBondContact OG-OD2 3.36Å; D520-T524 PolarHBondContact O-N 3.04Å; D520-T524 PolarHBondContact O-OG1 2.9Å |
| 521 | Y | 77.7 | Confident | 70.6 | Confident | 25 Ų | 25 | 72.5 Ų | 72.5 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.2 | -47.8 | 175.2 | 173.6 | -106.6 | 0 | 0 | 0 | 111.5 | L497 F507 F515 S517 L518 A519 T524 M525 | L497-Y521 HydrophobicContact CD1-CD1 4.03Å; L497-Y521 HydrophobicContact CD1-CE1 3.66Å; F507-Y521 WeakPolarHBondContact CD2-OH 3.25Å; F507-Y521 HydrophobicContact CE2-CE1 4.17Å; F507-Y521 WeakPolarHBondContact CE2-OH 3.45Å; F515-Y521 AromaticContact CD1-CD2 3.98Å; F515-Y521 HydrophobicContact CD1-CD2 3.98Å; F515-Y521 HydrophobicContact CD1-CG 4.46Å; F515-Y521 AromaticContact CD2-CD2 3.51Å; F515-Y521 HydrophobicContact CD2-CD2 3.51Å; F515-Y521 HydrophobicContact CD2-CE2 4.21Å; F515-Y521 HydrophobicContact CD2-CG 4.37Å; F515-Y521 AromaticContact CE1-CD2 3.89Å; F515-Y521 HydrophobicContact CE1-CD2 3.89Å; F515-Y521 AromaticContact CE2-CD2 3.43Å; F515-Y521 HydrophobicContact CE2-CD2 3.43Å; F515-Y521 VanDerWaalsContact CE2-CD2 3.43Å; F515-Y521 AromaticContact CE2-CE2 3.83Å; F515-Y521 HydrophobicContact CE2-CE2 3.83Å; F515-Y521 AromaticContact CG-CD2 3.8Å; F515-Y521 HydrophobicContact CG-CD2 3.8Å; F515-Y521 HydrophobicContact CG-CG 4.31Å; F515-Y521 AromaticContact CZ-CD2 3.63Å; F515-Y521 HydrophobicContact CZ-CD2 3.63Å; F515-Y521 HydrophobicContact CZ-CE2 4.16Å; S517-Y521 PolarHBondContact O-N 3.35Å; L518-Y521 HydrophobicContact CD1-CD1 4.41Å; L518-Y521 PolarHBondContact O-N 3Å; A519-Y521 VanDerWaalsContact C-N 3.27Å; A519-Y521 PolarHBondContact O-N 3.38Å; Y521-T524 PolarHBondContact O-N 3.44Å; Y521-M525 HydrophobicContact CD2-CG 4.37Å; Y521-M525 HydrophobicContact CE1-CG 4.08Å; Y521-M525 HydrophobicContact CE2-CE 3.51Å; Y521-M525 HydrophobicContact CE2-CG 3.94Å; Y521-M525 WeakPolarHBondContact O-CG 3.39Å; Y521-M525 PolarHBondContact O-N 3.13Å; Y521-M525 WeakPolarHBondContact OH-CE 3.3Å |
| 522 | L | 75.7 | Confident | 70.8 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.3 | -40.6 | -179.2 | -72.7 | 174.6 | 0 | 0 | 0 | 111.8 | V487 G493 A496 L500 L518 A519 T524 M525 V526 | V487-L522 HydrophobicContact CG1-CB 3.35Å; V487-L522 HydrophobicContact CG1-CD1 4.2Å; V487-L522 HydrophobicContact CG1-CG 4.42Å; G493-L522 VanDerWaalsContact CA-CD1 3.41Å; A496-L522 HydrophobicContact CB-CD1 4.1Å; A496-L522 HydrophobicContact CB-CD2 3.8Å; L500-L522 HydrophobicContact CD1-CD2 3.53Å; L518-L522 HydrophobicContact CD1-CD1 4.12Å; L518-L522 HydrophobicContact CD1-CG 4.15Å; L518-L522 HydrophobicContact CG-CD1 3.96Å; L518-L522 HydrophobicContact CG-CG 4.42Å; L518-L522 WeakPolarHBondContact O-CB 2.97Å; L518-L522 VanDerWaalsContact O-CG 3.3Å; L518-L522 WeakPolarHBondContact O-CG 3.44Å; L518-L522 PolarHBondContact O-N 3.45Å; A519-L522 PolarHBondContact O-N 2.78Å; L522-T524 VanDerWaalsContact C-N 3.3Å; L522-T524 PolarHBondContact O-N 3.32Å; L522-M525 PolarHBondContact O-N 2.59Å; L522-M525 VanDerWaalsContact O-N 3.13Å; L522-V526 WeakPolarHBondContact O-CB 3.29Å; L522-V526 WeakPolarHBondContact O-CG2 3.47Å; L522-V526 PolarHBondContact O-N 2.85Å |
| 523 | D | 76.5 | Confident | 70.9 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58 | -44.2 | 173.8 | -83.8 | -19.5 | 0 | 0 | 0 | 111.2 | A519 M525 V526 C527 | A519-D523 PolarHBondContact O-N 3.33Å; D523-M525 VanDerWaalsContact C-N 3.33Å; D523-M525 PolarHBondContact O-N 3.23Å; D523-V526 PolarHBondContact O-N 3.04Å; D523-C527 WeakPolarHBondContact O-CB 3.45Å; D523-C527 PolarHBondContact O-N 3Å; D523-C527 PolarHBondContact O-SG 3.09Å |
| 524 | T | 75.4 | Confident | 70 | Confident | 49 Ų | 49 | 69.8 Ų | 69.8 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 112 | F515 D520 Y521 L522 K528 | F515-T524 HydrophobicContact CE1-CG2 4.46Å; D520-T524 PolarHBondContact O-N 3.04Å; D520-T524 PolarHBondContact O-OG1 2.9Å; Y521-T524 PolarHBondContact O-N 3.44Å; L522-T524 VanDerWaalsContact C-N 3.3Å; L522-T524 PolarHBondContact O-N 3.32Å; T524-K528 WeakPolarHBondContact O-CG 3.46Å; T524-K528 PolarHBondContact O-N 3.29Å |
| 525 | M | 72.6 | Confident | 69.4 | Low | 7 Ų | 7 | 69.5 Ų | 69.5 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.5 | -39.6 | 179 | -75.2 | -59.6 | -179.8 | 0 | 0 | 112.4 | L500 Y521 L522 D523 C527 K528 L529 | L500-M525 HydrophobicContact CD1-CB 4.3Å; Y521-M525 HydrophobicContact CD2-CG 4.37Å; Y521-M525 HydrophobicContact CE1-CG 4.08Å; Y521-M525 HydrophobicContact CE2-CE 3.51Å; Y521-M525 HydrophobicContact CE2-CG 3.94Å; Y521-M525 WeakPolarHBondContact O-CG 3.39Å; Y521-M525 PolarHBondContact O-N 3.13Å; Y521-M525 WeakPolarHBondContact OH-CE 3.3Å; L522-M525 PolarHBondContact O-N 2.59Å; L522-M525 VanDerWaalsContact O-N 3.13Å; D523-M525 VanDerWaalsContact C-N 3.33Å; D523-M525 PolarHBondContact O-N 3.23Å; M525-C527 VanDerWaalsContact C-N 3.32Å; M525-C527 PolarHBondContact O-N 3.36Å; M525-K528 PolarHBondContact O-N 3.3Å; M525-K528 VanDerWaalsContact O-N 3.11Å; M525-K528 HydrophobicContact SD-CD 4.11Å; M525-L529 WeakPolarHBondContact O-CG 3.37Å; M525-L529 PolarHBondContact O-N 3.37Å |
| 526 | V | 75.5 | Confident | 68 | Low | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 172.9 | 169 | 0 | 0 | 0 | 0 | 110.3 | F467 A470 I471 A474 L522 D523 K528 L529 A530 | F467-V526 HydrophobicContact CD1-CG2 3.65Å; F467-V526 HydrophobicContact CE1-CG2 4.01Å; A470-V526 HydrophobicContact CB-CG1 4.31Å; A470-V526 HydrophobicContact CB-CG2 4.16Å; I471-V526 HydrophobicContact CB-CG1 4.37Å; I471-V526 HydrophobicContact CG1-CG1 3.68Å; A474-V526 HydrophobicContact CB-CG1 4.16Å; L522-V526 WeakPolarHBondContact O-CB 3.29Å; L522-V526 WeakPolarHBondContact O-CG2 3.47Å; L522-V526 PolarHBondContact O-N 2.85Å; D523-V526 PolarHBondContact O-N 3.04Å; V526-K528 VanDerWaalsContact C-N 3.27Å; V526-K528 PolarHBondContact O-N 3.44Å; V526-L529 PolarHBondContact O-N 3.05Å; V526-A530 VanDerWaalsContact O-CB 3.29Å; V526-A530 WeakPolarHBondContact O-CB 3.46Å; V526-A530 PolarHBondContact O-N 3.04Å |
| 527 | C | 72.8 | Confident | 66.4 | Low | 60 Ų | 60 | 72 Ų | 72 | 41% | 0.405 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.3 | -27.7 | 175.2 | -70.6 | 0 | 0 | 0 | 0 | 114 | D523 M525 K531 | D523-C527 WeakPolarHBondContact O-CB 3.45Å; D523-C527 PolarHBondContact O-N 3Å; D523-C527 PolarHBondContact O-SG 3.09Å; M525-C527 VanDerWaalsContact C-N 3.32Å; M525-C527 PolarHBondContact O-N 3.36Å; C527-K531 WeakPolarHBondContact O-CG 3.47Å |
| 528 | K | 73.4 | Confident | 64.3 | Low | 85 Ų | 85 | 75.1 Ų | 75.1 | 37% | 0.37 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -79.6 | -45.3 | 175.7 | -74.5 | 174.1 | -177.4 | 176.8 | 0 | 111 | T524 M525 V526 A530 K531 E532 | T524-K528 WeakPolarHBondContact O-CG 3.46Å; T524-K528 PolarHBondContact O-N 3.29Å; M525-K528 PolarHBondContact O-N 3.3Å; M525-K528 VanDerWaalsContact O-N 3.11Å; M525-K528 HydrophobicContact SD-CD 4.11Å; V526-K528 VanDerWaalsContact C-N 3.27Å; V526-K528 PolarHBondContact O-N 3.44Å; K528-A530 VanDerWaalsContact C-N 3.33Å; K528-A530 PolarHBondContact O-N 3.4Å; K528-K531 WeakPolarHBondContact O-CB 3.42Å; K528-K531 PolarHBondContact O-N 2.84Å; K528-K531 VanDerWaalsContact O-N 3.07Å; K528-E532 PolarHBondContact O-N 2.99Å |
| 529 | L | 72.3 | Confident | 62.2 | Low | 18 Ų | 18 | 77.9 Ų | 77.9 | 9% | 0.094 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 175.5 | -71 | 168.6 | 0 | 0 | 0 | 111.3 | L463 F467 L500 M525 V526 K531 E532 L533 | L463-L529 HydrophobicContact CD1-CD2 4.44Å; F467-L529 HydrophobicContact CD2-CD1 4.14Å; F467-L529 HydrophobicContact CE2-CD1 4.38Å; F467-L529 HydrophobicContact CG-CD1 4.49Å; L500-L529 HydrophobicContact CD2-CD1 3.71Å; M525-L529 WeakPolarHBondContact O-CG 3.37Å; M525-L529 PolarHBondContact O-N 3.37Å; V526-L529 PolarHBondContact O-N 3.05Å; L529-K531 PolarHBondContact O-N 3.02Å; L529-K531 VanDerWaalsContact O-N 3.08Å; L529-E532 PolarHBondContact O-N 3.33Å; L529-L533 VanDerWaalsContact O-CD1 3.23Å; L529-L533 WeakPolarHBondContact O-CD1 3.47Å; L529-L533 PolarHBondContact O-N 3.05Å |
| 530 | A | 67.5 | Low | 60 | Low | 45 Ų | 45 | 86.6 Ų | 86.6 | 37% | 0.372 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.5 | -21.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I471 V526 K528 | I471-A530 HydrophobicContact CG1-CB 4.26Å; I471-A530 HydrophobicContact CG2-CB 3.76Å; V526-A530 VanDerWaalsContact O-CB 3.29Å; V526-A530 WeakPolarHBondContact O-CB 3.46Å; V526-A530 PolarHBondContact O-N 3.04Å; K528-A530 VanDerWaalsContact C-N 3.33Å; K528-A530 PolarHBondContact O-N 3.4Å |
| 531 | K | 70.3 | Confident | 57.8 | Low | 179 Ų | 179 | 92.3 Ų | 92.3 | 78% | 0.778 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -89.3 | -18.9 | 176.5 | -71.1 | 173.9 | -176.4 | 177.3 | 0 | 113.3 | C527 K528 L529 | C527-K531 WeakPolarHBondContact O-CG 3.47Å; K528-K531 WeakPolarHBondContact O-CB 3.42Å; K528-K531 PolarHBondContact O-N 2.84Å; K528-K531 VanDerWaalsContact O-N 3.07Å; L529-K531 PolarHBondContact O-N 3.02Å; L529-K531 VanDerWaalsContact O-N 3.08Å |
| 532 | E | 65.1 | Low | 55.5 | Low | 116 Ų | 116 | 99 Ų | 99 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -96.7 | -17.9 | -177.5 | -71.9 | -176.2 | 167.7 | 0 | 0 | 113.1 | H506 K528 L529 | H506-E532 IonicContact CD2-OE2 3.5Å; H506-E532 IonicContact CE1-OE1 3.73Å; H506-E532 IonicContact NE2-OE1 3.67Å; H506-E532 PolarHBondContact NE2-OE1 3.04Å; H506-E532 IonicContact NE2-OE2 2.87Å; H506-E532 PolarHBondContact NE2-OE2 3.38Å; K528-E532 PolarHBondContact O-N 2.99Å; L529-E532 PolarHBondContact O-N 3.33Å |
| 533 | L | 58.8 | Low | 53.2 | Low | 61 Ų | 61 | 108.5 Ų | 108.5 | 32% | 0.319 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -68.3 | 135.5 | 171.8 | -91.4 | 90.4 | 0 | 0 | 0 | 111.8 | D464 L529 K535 | D464-L533 HydrophobicContact CB-CD2 3.96Å; D464-L533 WeakPolarHBondContact OD1-CD1 3.43Å; L529-L533 VanDerWaalsContact O-CD1 3.23Å; L529-L533 WeakPolarHBondContact O-CD1 3.47Å; L529-L533 PolarHBondContact O-N 3.05Å; L533-K535 PolarHBondContact O-N 3.35Å |
| 534 | P | 45.2 | Very low | 51 | Low | 118 Ų | 118 | 112.7 Ų | 112.7 | 77% | 0.766 | 59% | 0.59 | S | S | * | * | trans | -61.7 | 124.8 | 163.9 | -15.1 | 28.6 | 0 | 0 | 0 | 109.7 | D536 | P534-D536 PolarHBondContact O-N 3.38Š| ||
| 535 | K | 48.5 | Very low | 48.8 | Very low | 198 Ų | 198 | 114.1 Ų | 114.1 | 86% | 0.861 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -68.5 | 99.9 | 168 | -71.7 | -177.9 | 177.5 | -174.9 | 0 | 108.2 | L533 | L533-K535 PolarHBondContact O-N 3.35Š|
| 536 | D | 34 | Very low | 46.6 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 85% | 0.845 | 65% | 0.652 | S | S | * | * | trans | -178.4 | 90.3 | 151.4 | -87.5 | -27.4 | 0 | 0 | 0 | 110.5 | P534 | P534-D536 PolarHBondContact O-N 3.38Š| ||
| 537 | I | 31 | Very low | 44.3 | Very low | 164 Ų | 164 | 130 Ų | 130 | 84% | 0.841 | 69% | 0.688 | S | S | * | * | trans | -140.6 | 127.8 | 144.5 | -54.9 | -179.5 | 0 | 0 | 0 | 107 | ||||
| 538 | P | 30.7 | Very low | 42.1 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | trans | -72 | 138 | 177.3 | -6.6 | 23.2 | 0 | 0 | 0 | 111 | E540 | P538-E540 PolarHBondContact O-N 2.94Š| ||
| 539 | S | 32.4 | Very low | 39.9 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | -45.6 | 124.9 | 163.3 | 46.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 540 | E | 29.3 | Very low | 37.8 | Very low | 197 Ų | 197 | 142.6 Ų | 142.6 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -122 | 132.4 | 153.9 | -86.5 | -159.5 | 161.1 | 0 | 0 | 111.1 | P538 | P538-E540 PolarHBondContact O-N 2.94Š| ||
| 541 | E | 29.2 | Very low | 35.9 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -73.2 | 141.6 | -168 | -61.9 | 170.8 | 143.6 | 0 | 0 | 112.2 | K543 | E541-K543 PolarHBondContact O-N 3.49Š| ||
| 542 | I | 29.5 | Very low | 33.9 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -62.8 | 119.8 | 167.2 | -64.5 | 160.7 | 0 | 0 | 0 | 108.8 | ||||
| 543 | K | 26.9 | Very low | 32.1 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | trans | -116.4 | 111.7 | 161.5 | -148.6 | 174.4 | -172.3 | 175.9 | 0 | 109.9 | E541 | E541-K543 PolarHBondContact O-N 3.49Š| ||
| 544 | T | 31.1 | Very low | 30.6 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -56.9 | 143.8 | 174 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 545 | G | 27.9 | Very low | 29.7 | Very low | 78 Ų | 78 | 147.4 Ų | 147.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -174.4 | 131.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 546 | E | 27.6 | Very low | 28.7 | Very low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -80.5 | 158.3 | -162.1 | -68.8 | 161.1 | 153.8 | 0 | 0 | 116 | ||||
| 547 | E | 27.9 | Very low | 28.4 | Very low | 162 Ų | 162 | 144.6 Ų | 144.6 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | 57.3 | 132 | 137.1 | -68.9 | 178.2 | 176.7 | 0 | 0 | 124 | ||||
| 548 | D | 26 | Very low | 28.2 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | 82.5 | 119 | 135 | -66.8 | -4.2 | 0 | 0 | 0 | 124.1 | ||||
| 549 | D | 27.6 | Very low | 28 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | 53.1 | 127.8 | 129.8 | -81.8 | -9.1 | 0 | 0 | 0 | 123.6 | |||||
| 550 | D | 28.5 | Very low | 27.7 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 78.3 | 123.8 | 135.4 | -88.8 | -9.4 | 0 | 0 | 0 | 123.2 | ||||
| 551 | D | 27.6 | Very low | 27.6 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 94.6 | 128.7 | 131.1 | -143.4 | 18.4 | 0 | 0 | 0 | 121.3 | ||||
| 552 | N | 27.7 | Very low | 27.4 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 30.6 | 133 | 151.9 | -96.5 | -29.2 | 0 | 0 | 0 | 122 | ||||
| 553 | G | 27.8 | Very low | 27.3 | Very low | 76 Ų | 76 | 140.2 Ų | 140.2 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | 176.1 | 80.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 554 | D | 25.9 | Very low | 27.7 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -50.3 | 159.3 | 172.3 | -166.5 | 18.8 | 0 | 0 | 0 | 115.7 | ||||
| 555 | N | 26.6 | Very low | 27.7 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | trans | 70.8 | 111.5 | 161 | -65.2 | -52 | 0 | 0 | 0 | 120.4 | ||||
| 556 | L | 28.1 | Very low | 28.1 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | 173.8 | 120.5 | 99.2 | -130.2 | 72.9 | 0 | 0 | 0 | 112 | |||||
| 557 | L | 27.4 | Very low | 28.8 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | 33.7 | 131.6 | 137.8 | -57.1 | 169.9 | 0 | 0 | 0 | 117.9 | ||||
| 558 | K | 26.8 | Very low | 29.9 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | 178 | 143.2 | 57 | -141.8 | 169.4 | -174.5 | -179.4 | 0 | 110.3 | |||||
| 559 | D | 25.9 | Very low | 31.9 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 9.9 | 126.4 | 152.6 | -54.9 | -40.3 | 0 | 0 | 0 | 119.3 | ||||
| 560 | S | 26 | Very low | 34.1 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | 176.2 | 101.3 | 126.9 | -72.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 561 | N | 27.1 | Very low | 36.4 | Very low | 168 Ų | 168 | 125.9 Ų | 125.9 | 90% | 0.898 | 71% | 0.709 | S | S | * | * | trans | -153.8 | 94.9 | 145.2 | -133.2 | 11.7 | 0 | 0 | 0 | 111.2 | ||||
| 562 | D | 25.8 | Very low | 38.9 | Very low | 154 Ų | 154 | 122.9 Ų | 122.9 | 82% | 0.824 | 70% | 0.696 | S | S | * | * | trans | -90.2 | 137.8 | 163.1 | -123.9 | -24.7 | 0 | 0 | 0 | 108.3 | ||||
| 563 | S | 28.3 | Very low | 41.2 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | 90.9 | 152.8 | 159.8 | -49.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 564 | P | 34.2 | Very low | 43.5 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | -135.3 | 140.8 | -71 | 31.9 | -12.8 | 0 | 0 | 0 | 112.3 | |||||
| 565 | S | 30.5 | Very low | 46 | Very low | 110 Ų | 110 | 118.1 Ų | 118.1 | 77% | 0.769 | 65% | 0.647 | S | S | * | * | trans | -90.6 | 122.6 | 170.3 | 41 | 0 | 0 | 0 | 0 | 110.8 | Q567 | S565-Q567 PolarHBondContact O-N 3.2Š| ||
| 566 | I | 37.6 | Very low | 48.5 | Very low | 170 Ų | 170 | 112.4 Ų | 112.4 | 87% | 0.872 | 62% | 0.616 | S | S | * | * | trans | -66.6 | 111.2 | -178.4 | -64.2 | 166.4 | 0 | 0 | 0 | 109.5 | ||||
| 567 | Q | 42.3 | Very low | 50.8 | Low | 170 Ų | 170 | 108.2 Ų | 108.2 | 79% | 0.794 | 60% | 0.595 | S | S | * | * | trans | -88.1 | 122.4 | 171.2 | -68.4 | 176.3 | -4.3 | 0 | 0 | 109.4 | S565 K569 | S565-Q567 PolarHBondContact O-N 3.2Å; Q567-K569 PolarHBondContact O-N 3.3Å | ||
| 568 | S | 50.1 | Low | 53.3 | Low | 81 Ų | 81 | 104.5 Ų | 104.5 | 57% | 0.566 | 58% | 0.576 | S | S | * | * | trans | -72.5 | 115.2 | 170.9 | 46.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 569 | K | 68.6 | Low | 55.9 | Low | 138 Ų | 138 | 96.6 Ų | 96.6 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 139.1 | -175.1 | -65.2 | 175.8 | -177.1 | 170.3 | 0 | 111.3 | Q567 V632 | Q567-K569 PolarHBondContact O-N 3.3Å; K569-V632 HydrophobicContact CB-CG2 4.36Å; K569-V632 WeakPolarHBondContact O-CG2 3.18Å; K569-V632 PolarHBondContact O-N 3.21Å; K569-V632 VanDerWaalsContact O-N 3.16Å |
| 570 | T | 73.8 | Confident | 58.6 | Low | 81 Ų | 81 | 90.3 Ų | 90.3 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | B | Isolated β-bridge | trans | -75.6 | 147.9 | 168.4 | 52 | 0 | 0 | 0 | 0 | 110.8 | T572 | T570-T572 PolarHBondContact O-N 2.93Å |
| 571 | V | 75.9 | Confident | 61.2 | Low | 3 Ų | 3 | 87.8 Ų | 87.8 | 2% | 0.018 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 126.4 | 178.9 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | Q575 M576 W622 Q623 A630 V632 L635 | V571-Q575 HydrophobicContact CG1-CB 4.1Å; V571-M576 HydrophobicContact CG1-CG 3.66Å; V571-W622 HydrophobicContact CG2-CH2 4.49Å; V571-W622 HydrophobicContact CG2-CZ3 4.22Å; V571-Q623 PolarHBondContact O-NE2 3.27Å; V571-A630 PolarHBondContact N-O 2.84Å; V571-V632 HydrophobicContact CG2-CG2 4.07Å; V571-L635 HydrophobicContact CG1-CD2 3.9Å; V571-L635 HydrophobicContact CG2-CB 4.14Å; V571-L635 HydrophobicContact CG2-CD2 3.87Å |
| 572 | T | 80.5 | Confident | 63.6 | Low | 70 Ų | 70 | 84.8 Ų | 84.8 | 43% | 0.429 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 156.5 | 178.7 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | T570 H574 Q575 M576 | T570-T572 PolarHBondContact O-N 2.93Å; T572-H574 PolarHBondContact O-N 3.4Å; T572-Q575 WeakPolarHBondContact O-CB 3.41Å; T572-Q575 PolarHBondContact O-N 3.3Å; T572-Q575 VanDerWaalsContact O-N 3.08Å; T572-Q575 VanDerWaalsContact OG1-CD 3.27Å; T572-Q575 VanDerWaalsContact OG1-CG 3.29Å; T572-Q575 WeakPolarHBondContact OG1-CG 3.2Å; T572-Q575 PolarHBondContact OG1-N 3.49Å; T572-Q575 PolarHBondContact OG1-OE1 3.48Å; T572-M576 PolarHBondContact O-N 2.93Å |
| 573 | N | 75.2 | Confident | 66.1 | Low | 109 Ų | 109 | 77.7 Ų | 77.7 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -57.7 | -34.7 | 177.3 | -73.3 | -23.2 | 0 | 0 | 0 | 113.3 | M576 D577 | N573-M576 HydrophobicContact CB-CE 4.39Å; N573-M576 PolarHBondContact O-N 3.18Å; N573-M576 WeakPolarHBondContact OD1-CE 3.38Å; N573-D577 VanDerWaalsContact O-CG 3.31Å; N573-D577 PolarHBondContact O-N 3.26Å |
| 574 | H | 77.1 | Confident | 68.3 | Low | 129 Ų | 129 | 73.5 Ų | 73.5 | 60% | 0.597 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.4 | -40.7 | 176.2 | -170.9 | -69.3 | 0 | 0 | 0 | 111.9 | T572 M576 D577 D578 | T572-H574 PolarHBondContact O-N 3.4Å; H574-M576 VanDerWaalsContact C-N 3.3Å; H574-M576 PolarHBondContact O-N 2.91Å; H574-D577 PolarHBondContact O-N 3.19Å; H574-D578 IonicContact CE1-OD1 3.77Å; H574-D578 IonicContact CE1-OD2 3.55Å; H574-D578 PolarHBondContact CE1-OD2 2.88Å; H574-D578 IonicContact ND1-OD2 3.56Å; H574-D578 PolarHBondContact ND1-OD2 2.88Å; H574-D578 PolarHBondContact O-N 2.99Å |
| 575 | Q | 78.8 | Confident | 70.3 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 13% | 0.126 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 175.4 | -73.1 | 166.7 | -38.7 | 0 | 0 | 111.3 | V571 T572 I579 L651 A654 | V571-Q575 HydrophobicContact CG1-CB 4.1Å; T572-Q575 WeakPolarHBondContact O-CB 3.41Å; T572-Q575 PolarHBondContact O-N 3.3Å; T572-Q575 VanDerWaalsContact O-N 3.08Å; T572-Q575 VanDerWaalsContact OG1-CD 3.27Å; T572-Q575 VanDerWaalsContact OG1-CG 3.29Å; T572-Q575 WeakPolarHBondContact OG1-CG 3.2Å; T572-Q575 PolarHBondContact OG1-N 3.49Å; T572-Q575 PolarHBondContact OG1-OE1 3.48Å; Q575-I579 WeakPolarHBondContact O-CB 3.48Å; Q575-I579 WeakPolarHBondContact O-CD1 3.17Å; Q575-I579 WeakPolarHBondContact O-CG1 3.42Å; Q575-I579 PolarHBondContact O-N 2.94Å; Q575-L651 HydrophobicContact CB-CD1 4.12Å; Q575-L651 HydrophobicContact CG-CD1 4.24Å; Q575-A654 PolarHBondContact NE2-OXT 2.88Å |
| 576 | M | 79 | Confident | 72.6 | Confident | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66 | -39.5 | 174.4 | -66.9 | -170.3 | -72.9 | 0 | 0 | 112.4 | V571 T572 N573 H574 I579 A580 L619 Q623 | V571-M576 HydrophobicContact CG1-CG 3.66Å; T572-M576 PolarHBondContact O-N 2.93Å; N573-M576 HydrophobicContact CB-CE 4.39Å; N573-M576 PolarHBondContact O-N 3.18Å; N573-M576 WeakPolarHBondContact OD1-CE 3.38Å; H574-M576 VanDerWaalsContact C-N 3.3Å; H574-M576 PolarHBondContact O-N 2.91Å; M576-I579 PolarHBondContact O-N 2.91Å; M576-A580 VanDerWaalsContact O-CB 3.22Å; M576-A580 WeakPolarHBondContact O-CB 3.29Å; M576-A580 PolarHBondContact O-N 2.91Å; M576-L619 HydrophobicContact CB-CB 4.28Å; M576-L619 HydrophobicContact CB-CD1 4.04Å; M576-L619 HydrophobicContact CG-CB 4.11Å; M576-L619 HydrophobicContact CG-CD1 4.34Å; M576-L619 WeakPolarHBondContact O-CD1 3.48Å; M576-L619 HydrophobicContact SD-CB 3.89Å; M576-Q623 VanDerWaalsContact CE-OE1 3.28Å |
| 577 | D | 77 | Confident | 74.8 | Confident | 62 Ų | 62 | 64 Ų | 64 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 177.6 | -71.9 | -10.2 | 0 | 0 | 0 | 111.8 | N573 H574 I579 A580 A581 K616 | N573-D577 VanDerWaalsContact O-CG 3.31Å; N573-D577 PolarHBondContact O-N 3.26Å; H574-D577 PolarHBondContact O-N 3.19Å; D577-I579 VanDerWaalsContact C-N 3.33Å; D577-I579 PolarHBondContact O-N 3.47Å; D577-A580 PolarHBondContact O-N 3.06Å; D577-A581 WeakPolarHBondContact O-CB 3.38Å; D577-A581 PolarHBondContact O-N 2.98Å; D577-K616 WeakPolarHBondContact OD1-CD 3.41Å; D577-K616 WeakPolarHBondContact OD1-CE 3.44Å; D577-K616 IonicContact OD1-NZ 3.77Å; D577-K616 PolarHBondContact OD1-NZ 3.01Å; D577-K616 IonicContact OD2-NZ 2.63Å; D577-K616 PolarHBondContact OD2-NZ 3.06Å |
| 578 | D | 79.6 | Confident | 76.6 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 38% | 0.38 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.4 | -31.6 | 177 | -77.8 | -31.6 | 0 | 0 | 0 | 113.5 | H574 K582 | H574-D578 IonicContact CE1-OD1 3.77Å; H574-D578 IonicContact CE1-OD2 3.55Å; H574-D578 PolarHBondContact CE1-OD2 2.88Å; H574-D578 IonicContact ND1-OD2 3.56Å; H574-D578 PolarHBondContact ND1-OD2 2.88Å; H574-D578 PolarHBondContact O-N 2.99Å; D578-K582 WeakPolarHBondContact O-CG 3.35Å |
| 579 | I | 80.9 | Confident | 78.2 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.046 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -76.5 | -46.3 | 174.7 | -67.1 | 164.1 | 0 | 0 | 0 | 109.5 | Q575 M576 D577 A581 K582 L583 L619 L635 L639 L651 | Q575-I579 WeakPolarHBondContact O-CB 3.48Å; Q575-I579 WeakPolarHBondContact O-CD1 3.17Å; Q575-I579 WeakPolarHBondContact O-CG1 3.42Å; Q575-I579 PolarHBondContact O-N 2.94Å; M576-I579 PolarHBondContact O-N 2.91Å; D577-I579 VanDerWaalsContact C-N 3.33Å; D577-I579 PolarHBondContact O-N 3.47Å; I579-A581 VanDerWaalsContact C-N 3.32Å; I579-A581 PolarHBondContact O-N 3.47Å; I579-K582 CarbonylContact O-C 3.59Å; I579-K582 PolarHBondContact O-N 2.85Å; I579-L583 VanDerWaalsContact O-CB 3.24Å; I579-L583 WeakPolarHBondContact O-CB 3.31Å; I579-L583 PolarHBondContact O-N 3.27Å; I579-L619 HydrophobicContact CB-CD1 4.02Å; I579-L619 HydrophobicContact CG2-CD1 3.89Å; I579-L635 HydrophobicContact CD1-CD2 3.75Å; I579-L639 HydrophobicContact CD1-CD1 4.26Å; I579-L639 HydrophobicContact CG2-CD1 4.49Å; I579-L639 HydrophobicContact CG2-CD2 4.37Å; I579-L651 HydrophobicContact CD1-CD1 3.93Å; I579-L651 HydrophobicContact CD1-CD2 3.83Å; I579-L651 HydrophobicContact CD1-CG 4.35Å |
| 580 | A | 81.9 | Confident | 78.9 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 3% | 0.033 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.2 | -46.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M576 D577 K582 L583 G584 A615 K616 L619 | M576-A580 VanDerWaalsContact O-CB 3.22Å; M576-A580 WeakPolarHBondContact O-CB 3.29Å; M576-A580 PolarHBondContact O-N 2.91Å; D577-A580 PolarHBondContact O-N 3.06Å; A580-K582 PolarHBondContact O-N 2.89Å; A580-L583 PolarHBondContact O-N 3.38Å; A580-G584 PolarHBondContact O-N 3.41Å; A580-G584 VanDerWaalsContact O-N 3.16Å; A580-A615 HydrophobicContact CB-CB 3.97Å; A580-K616 HydrophobicContact CB-CB 3.87Å; A580-L619 HydrophobicContact CB-CD1 4.48Å |
| 581 | A | 80 | Confident | 79.3 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.3 | -21.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D577 I579 | D577-A581 WeakPolarHBondContact O-CB 3.38Å; D577-A581 PolarHBondContact O-N 2.98Å; I579-A581 VanDerWaalsContact C-N 3.32Å; I579-A581 PolarHBondContact O-N 3.47Å |
| 582 | K | 79.3 | Confident | 79.5 | Confident | 106 Ų | 106 | 52.8 Ų | 52.8 | 46% | 0.461 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -101.6 | -24.8 | 179 | -67.2 | 176.5 | -171.2 | 126.9 | 0 | 113.1 | D578 I579 A580 L647 | D578-K582 WeakPolarHBondContact O-CG 3.35Å; I579-K582 CarbonylContact O-C 3.59Å; I579-K582 PolarHBondContact O-N 2.85Å; A580-K582 PolarHBondContact O-N 2.89Å; K582-L647 HydrophobicContact CB-CD1 4.18Å; K582-L647 HydrophobicContact CB-CD2 3.72Å; K582-L647 HydrophobicContact CD-CD2 3.47Å; K582-L647 VanDerWaalsContact CD-CD2 3.47Å; K582-L647 HydrophobicContact CG-CD2 4.24Å |
| 583 | L | 78.3 | Confident | 79.5 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74.4 | -38.7 | 178.8 | -163.3 | 74.5 | 0 | 0 | 0 | 110.7 | I579 A580 S585 Q586 W587 L590 A615 L639 F644 | I579-L583 VanDerWaalsContact O-CB 3.24Å; I579-L583 WeakPolarHBondContact O-CB 3.31Å; I579-L583 PolarHBondContact O-N 3.27Å; A580-L583 PolarHBondContact O-N 3.38Å; L583-S585 PolarHBondContact O-N 2.78Å; L583-Q586 PolarHBondContact O-N 2.99Å; L583-Q586 VanDerWaalsContact O-N 3.08Å; L583-W587 HydrophobicContact CD2-CB 3.7Å; L583-W587 HydrophobicContact CG-CB 4.26Å; L583-L590 HydrophobicContact CD1-CB 4.26Å; L583-L590 HydrophobicContact CD1-CD2 4Å; L583-L590 HydrophobicContact CD2-CB 4.16Å; L583-L590 HydrophobicContact CD2-CD2 3.55Å; L583-L590 HydrophobicContact CG-CD2 4.46Å; L583-A615 HydrophobicContact CB-CB 4.38Å; L583-A615 HydrophobicContact CD2-CB 4.21Å; L583-L639 HydrophobicContact CD1-CD2 4.24Å; L583-F644 HydrophobicContact CD1-CD2 4.04Å; L583-F644 HydrophobicContact CD1-CE1 4.32Å; L583-F644 HydrophobicContact CD1-CE2 3.82Å; L583-F644 HydrophobicContact CD1-CG 4.41Å; L583-F644 HydrophobicContact CD1-CZ 3.99Å |
| 584 | G | 74.8 | Confident | 79.8 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | 45.6 | -130.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A580 Q586 W587 V611 | A580-G584 PolarHBondContact O-N 3.41Å; A580-G584 VanDerWaalsContact O-N 3.16Å; G584-Q586 PolarHBondContact O-N 3.32Å; G584-W587 VanDerWaalsContact O-CD1 3.29Å; G584-W587 PolarHBondContact O-N 2.9Å; G584-V611 WeakPolarHBondContact O-CG1 3.31Å |
| 585 | S | 74.6 | Confident | 79.9 | Confident | 94 Ų | 94 | 50.4 Ų | 50.4 | 66% | 0.657 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -69 | -6.8 | -174.1 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | L583 W587 | L583-S585 PolarHBondContact O-N 2.78Å; S585-W587 VanDerWaalsContact C-N 3.34Å |
| 586 | Q | 79.6 | Confident | 79.9 | Confident | 104 Ų | 104 | 49.8 Ų | 49.8 | 49% | 0.486 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -94.6 | 10.7 | -178.7 | -51.5 | -167.6 | -11 | 0 | 0 | 113.1 | L583 G584 K588 T589 L590 F644 | L583-Q586 PolarHBondContact O-N 2.99Å; L583-Q586 VanDerWaalsContact O-N 3.08Å; G584-Q586 PolarHBondContact O-N 3.32Å; Q586-K588 PolarHBondContact O-N 3.1Å; Q586-T589 WeakPolarHBondContact O-CB 3.34Å; Q586-T589 PolarHBondContact O-N 3.23Å; Q586-L590 PolarHBondContact O-N 2.73Å; Q586-F644 HydrophobicContact CB-CE1 4.21Å; Q586-F644 HydrophobicContact CB-CZ 3.64Å; Q586-F644 VanDerWaalsContact OE1-CZ 3.23Å |
| 587 | W | 83.1 | Confident | 80.1 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.2 | -30.1 | 176.4 | 71.9 | -103.6 | 0 | 0 | 0 | 113.5 | L583 G584 S585 T589 L590 A591 M601 I604 E605 Q614 A615 L618 | L583-W587 HydrophobicContact CD2-CB 3.7Å; L583-W587 HydrophobicContact CG-CB 4.26Å; G584-W587 VanDerWaalsContact O-CD1 3.29Å; G584-W587 PolarHBondContact O-N 2.9Å; S585-W587 VanDerWaalsContact C-N 3.34Å; W587-T589 VanDerWaalsContact C-N 3.31Å; W587-T589 PolarHBondContact O-N 3.01Å; W587-L590 PolarHBondContact O-N 3.08Å; W587-A591 HydrophobicContact CE3-CB 4.31Å; W587-A591 HydrophobicContact CZ3-CB 4.43Å; W587-A591 WeakPolarHBondContact O-CB 3.33Å; W587-A591 PolarHBondContact O-N 3.06Å; W587-M601 HydrophobicContact CZ3-CB 4.43Å; W587-M601 HydrophobicContact CZ3-CG 4.4Å; W587-I604 HydrophobicContact CH2-CB 4.18Å; W587-I604 HydrophobicContact CH2-CG2 3.88Å; W587-I604 HydrophobicContact CZ2-CG2 4.23Å; W587-I604 HydrophobicContact CZ3-CG2 4.22Å; W587-E605 HydrophobicContact CH2-CG 4.02Å; W587-E605 HydrophobicContact CZ2-CG 3.85Å; W587-Q614 HydrophobicContact CD2-CB 4.42Å; W587-Q614 HydrophobicContact CZ2-CB 4.05Å; W587-Q614 HydrophobicContact CZ2-CG 4.38Å; W587-A615 HydrophobicContact CB-CB 3.86Å; W587-A615 HydrophobicContact CG-CB 4.44Å; W587-L618 HydrophobicContact CB-CD2 4.25Å; W587-L618 HydrophobicContact CE3-CB 4.37Å; W587-L618 HydrophobicContact CE3-CD1 3.86Å; W587-L618 HydrophobicContact CE3-CD2 4.14Å; W587-L618 HydrophobicContact CE3-CG 4.36Å; W587-L618 HydrophobicContact CZ3-CD1 3.98Å; W587-L618 WeakPolarHBondContact O-CD2 3.38Å |
| 588 | K | 81.6 | Confident | 80.1 | Confident | 100 Ų | 100 | 56.4 Ų | 56.4 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.5 | -34.1 | 176.5 | -62.9 | -179.7 | -178.7 | -174.3 | 0 | 113.2 | Q586 A591 S592 E605 | Q586-K588 PolarHBondContact O-N 3.1Å; K588-A591 PolarHBondContact O-N 3.09Å; K588-S592 PolarHBondContact O-N 3.01Å; K588-E605 WeakPolarHBondContact CE-OE1 3.39Å; K588-E605 IonicContact NZ-OE1 3.04Å; K588-E605 PolarHBondContact NZ-OE1 2.81Å |
| 589 | T | 82.1 | Confident | 80.1 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 175.4 | -50.6 | 0 | 0 | 0 | 0 | 109.2 | Q586 W587 A591 S592 H593 | Q586-T589 WeakPolarHBondContact O-CB 3.34Å; Q586-T589 PolarHBondContact O-N 3.23Å; W587-T589 VanDerWaalsContact C-N 3.31Å; W587-T589 PolarHBondContact O-N 3.01Å; T589-A591 PolarHBondContact O-N 3.36Å; T589-S592 PolarHBondContact O-N 3.43Å; T589-S592 PolarHBondContact O-OG 3.47Å; T589-H593 PolarHBondContact O-CD2 3.16Å; T589-H593 VanDerWaalsContact O-CD2 3.27Å; T589-H593 PolarHBondContact O-N 3.06Å |
| 590 | L | 83.4 | Confident | 80 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 175.8 | -173.8 | 62.6 | 0 | 0 | 0 | 112.2 | L583 Q586 W587 S592 H593 L594 L618 L619 A638 L639 A642 | L583-L590 HydrophobicContact CD1-CB 4.26Å; L583-L590 HydrophobicContact CD1-CD2 4Å; L583-L590 HydrophobicContact CD2-CB 4.16Å; L583-L590 HydrophobicContact CD2-CD2 3.55Å; L583-L590 HydrophobicContact CG-CD2 4.46Å; Q586-L590 PolarHBondContact O-N 2.73Å; W587-L590 PolarHBondContact O-N 3.08Å; L590-S592 PolarHBondContact O-N 3.31Å; L590-H593 CarbonylContact O-C 3.21Å; L590-H593 PolarHBondContact O-N 3.35Å; L590-L594 HydrophobicContact CD1-CD1 4.35Å; L590-L594 HydrophobicContact CD1-CG 4.24Å; L590-L594 HydrophobicContact CD2-CD1 4.12Å; L590-L594 HydrophobicContact CG-CD1 3.75Å; L590-L594 HydrophobicContact CG-CG 4.09Å; L590-L594 WeakPolarHBondContact O-CG 3.34Å; L590-L594 PolarHBondContact O-N 3.31Å; L590-L618 HydrophobicContact CB-CD2 4.36Å; L590-L618 HydrophobicContact CD2-CD2 4.43Å; L590-L618 HydrophobicContact CG-CD2 4.48Å; L590-L619 HydrophobicContact CD2-CD2 4.15Å; L590-A638 HydrophobicContact CD1-CB 4.4Å; L590-L639 HydrophobicContact CD1-CD2 3.82Å; L590-L639 HydrophobicContact CD1-CG 4.18Å; L590-L639 HydrophobicContact CD2-CD2 3.75Å; L590-L639 HydrophobicContact CG-CD2 4.41Å; L590-A642 HydrophobicContact CD1-CB 4.03Å |
| 591 | A | 82.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.7 | -38.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | W587 K588 T589 L594 E595 M596 M601 L618 | W587-A591 HydrophobicContact CE3-CB 4.31Å; W587-A591 HydrophobicContact CZ3-CB 4.43Å; W587-A591 WeakPolarHBondContact O-CB 3.33Å; W587-A591 PolarHBondContact O-N 3.06Å; K588-A591 PolarHBondContact O-N 3.09Å; T589-A591 PolarHBondContact O-N 3.36Å; A591-L594 PolarHBondContact O-N 3.19Å; A591-E595 PolarHBondContact O-N 3.38Å; A591-M596 HydrophobicContact CB-CB 4.44Å; A591-M596 PolarHBondContact O-N 3.1Å; A591-M601 HydrophobicContact CB-CG 4.05Å; A591-M601 HydrophobicContact CB-SD 3.59Å; A591-M601 VanDerWaalsContact CB-SD 3.59Å; A591-L618 HydrophobicContact CB-CD1 3.44Å; A591-L618 VanDerWaalsContact CB-CD1 3.44Å; A591-L618 HydrophobicContact CB-CD2 4Å; A591-L618 HydrophobicContact CB-CG 4.35Å |
| 592 | S | 80.2 | Confident | 79.9 | Confident | 73 Ų | 73 | 64.2 Ų | 64.2 | 51% | 0.51 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.9 | -34.3 | 176.9 | 74.2 | 0 | 0 | 0 | 0 | 113 | K588 T589 L590 E595 | K588-S592 PolarHBondContact O-N 3.01Å; T589-S592 PolarHBondContact O-N 3.43Å; T589-S592 PolarHBondContact O-OG 3.47Å; L590-S592 PolarHBondContact O-N 3.31Å; S592-E595 PolarHBondContact O-N 3.43Å |
| 593 | H | 81.6 | Confident | 80.1 | Confident | 88 Ų | 88 | 64.9 Ų | 64.9 | 41% | 0.407 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -82.1 | -22.3 | 176.8 | -74.1 | -74.1 | 0 | 0 | 0 | 113.3 | T589 L590 E595 A641 A642 | T589-H593 PolarHBondContact O-CD2 3.16Å; T589-H593 VanDerWaalsContact O-CD2 3.27Å; T589-H593 PolarHBondContact O-N 3.06Å; L590-H593 CarbonylContact O-C 3.21Å; L590-H593 PolarHBondContact O-N 3.35Å; H593-E595 PolarHBondContact O-N 3.18Å; H593-A641 PolarHBondContact CE1-O 3.04Å; H593-A642 HydrophobicContact CB-CB 4.29Å; H593-A642 VanDerWaalsContact CD2-CA 3.48Å; H593-A642 WeakPolarHBondContact CD2-CA 3.45Å; H593-A642 VanDerWaalsContact CD2-CB 3.47Å; H593-A642 WeakPolarHBondContact CD2-CB 3.44Å |
| 594 | L | 81.1 | Confident | 80.3 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 10.7 | 169.1 | -64.2 | 175.2 | 0 | 0 | 0 | 112.3 | L590 A591 M596 L618 W622 R625 L635 A638 | L590-L594 HydrophobicContact CD1-CD1 4.35Å; L590-L594 HydrophobicContact CD1-CG 4.24Å; L590-L594 HydrophobicContact CD2-CD1 4.12Å; L590-L594 HydrophobicContact CG-CD1 3.75Å; L590-L594 HydrophobicContact CG-CG 4.09Å; L590-L594 WeakPolarHBondContact O-CG 3.34Å; L590-L594 PolarHBondContact O-N 3.31Å; A591-L594 PolarHBondContact O-N 3.19Å; L594-M596 HydrophobicContact CB-CG 4.21Å; L594-M596 PolarHBondContact O-N 3.28Å; L594-M596 VanDerWaalsContact O-N 3.17Å; L594-L618 HydrophobicContact CD1-CD2 4.41Å; L594-W622 HydrophobicContact CD1-CB 4.26Å; L594-W622 HydrophobicContact CD1-CG 4.05Å; L594-W622 HydrophobicContact CD2-CD2 4.31Å; L594-W622 HydrophobicContact CD2-CG 4.22Å; L594-R625 PolarHBondContact O-NH1 2.89Å; L594-R625 PolarHBondContact O-NH2 3.21Å; L594-L635 HydrophobicContact CD2-CD1 4.42Å; L594-A638 HydrophobicContact CD2-CB 3.41Å; L594-A638 VanDerWaalsContact CD2-CB 3.41Å; L594-A638 HydrophobicContact CG-CB 4.32Å |
| 595 | E | 79.2 | Confident | 80.5 | Confident | 161 Ų | 161 | 68.4 Ų | 68.4 | 75% | 0.752 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 36.9 | 179.8 | -57.3 | -171.9 | 167.4 | 0 | 0 | 113.6 | A591 S592 H593 R625 | A591-E595 PolarHBondContact O-N 3.38Å; S592-E595 PolarHBondContact O-N 3.43Å; H593-E595 PolarHBondContact O-N 3.18Å; E595-R625 PolarHBondContact O-NH1 3.26Å |
| 596 | M | 79.2 | Confident | 80.8 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | trans | -77.4 | 141 | 177.8 | -67.2 | -163.6 | 59.9 | 0 | 0 | 111.7 | A591 L594 E600 M601 I604 L618 A621 | A591-M596 HydrophobicContact CB-CB 4.44Å; A591-M596 PolarHBondContact O-N 3.1Å; L594-M596 HydrophobicContact CB-CG 4.21Å; L594-M596 PolarHBondContact O-N 3.28Å; L594-M596 VanDerWaalsContact O-N 3.17Å; M596-E600 HydrophobicContact CE-CB 4.09Å; M596-M601 HydrophobicContact CB-CG 4.47Å; M596-I604 HydrophobicContact CE-CD1 4.01Å; M596-L618 HydrophobicContact CE-CD1 3.86Å; M596-L618 HydrophobicContact CG-CD1 4.45Å; M596-L618 HydrophobicContact SD-CD1 3.14Å; M596-L618 WeakPolarHBondContact SD-CD1 3.28Å; M596-L618 HydrophobicContact SD-CG 3.79Å; M596-A621 HydrophobicContact CE-CB 3.82Å | ||
| 597 | K | 81.6 | Confident | 80.7 | Confident | 141 Ų | 141 | 69.8 Ų | 69.8 | 61% | 0.613 | 36% | 0.361 | S | S | * | . | trans | -71.3 | 148.3 | -176.7 | -68 | 175.7 | -173.7 | 157.8 | 0 | 110.4 | A599 E600 M601 | K597-A599 PolarHBondContact O-N 2.88Å; K597-E600 HydrophobicContact CB-CG 4.29Å; K597-E600 PolarHBondContact N-OE2 3.01Å; K597-E600 VanDerWaalsContact N-OE2 3.1Å; K597-E600 PolarHBondContact O-N 3.1Å; K597-M601 PolarHBondContact O-N 3.44Å; K597-M601 VanDerWaalsContact O-N 3.12Å | ||
| 598 | A | 77.3 | Confident | 80.3 | Confident | 61 Ų | 61 | 70.8 Ų | 70.8 | 50% | 0.504 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -12.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M601 R602 | A598-M601 HydrophobicContact CB-CE 4.14Å; A598-R602 WeakPolarHBondContact O-CG 3.5Å; A598-R602 PolarHBondContact O-NE 3.2Å |
| 599 | A | 79.7 | Confident | 79.8 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 49% | 0.488 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -78 | -47 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K597 M601 R602 E603 | K597-A599 PolarHBondContact O-N 2.88Å; A599-M601 VanDerWaalsContact C-N 3.34Å; A599-M601 PolarHBondContact O-N 2.87Å; A599-R602 PolarHBondContact O-N 3.34Å; A599-R602 VanDerWaalsContact O-N 3.11Å; A599-E603 PolarHBondContact O-N 3.43Å |
| 600 | E | 79.4 | Confident | 79.7 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 24% | 0.243 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 179.3 | -65.7 | 158.8 | -167.4 | 0 | 0 | 111.2 | M596 K597 R602 E603 I604 | M596-E600 HydrophobicContact CE-CB 4.09Å; K597-E600 HydrophobicContact CB-CG 4.29Å; K597-E600 PolarHBondContact N-OE2 3.01Å; K597-E600 VanDerWaalsContact N-OE2 3.1Å; K597-E600 PolarHBondContact O-N 3.1Å; E600-R602 VanDerWaalsContact C-N 3.31Å; E600-R602 PolarHBondContact O-N 3.36Å; E600-E603 PolarHBondContact O-N 3.06Å; E600-I604 VanDerWaalsContact O-CG1 3.32Å; E600-I604 WeakPolarHBondContact O-CG1 3.44Å; E600-I604 PolarHBondContact O-N 2.65Å |
| 601 | M | 78.8 | Confident | 79.5 | Confident | 44 Ų | 44 | 79 Ų | 79 | 22% | 0.217 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.6 | -34 | 174.6 | -65 | -170.8 | -69.1 | 0 | 0 | 113 | W587 A591 M596 K597 A598 A599 E605 | W587-M601 HydrophobicContact CZ3-CB 4.43Å; W587-M601 HydrophobicContact CZ3-CG 4.4Å; A591-M601 HydrophobicContact CB-CG 4.05Å; A591-M601 HydrophobicContact CB-SD 3.59Å; A591-M601 VanDerWaalsContact CB-SD 3.59Å; M596-M601 HydrophobicContact CB-CG 4.47Å; K597-M601 PolarHBondContact O-N 3.44Å; K597-M601 VanDerWaalsContact O-N 3.12Å; A598-M601 HydrophobicContact CB-CE 4.14Å; A599-M601 VanDerWaalsContact C-N 3.34Å; A599-M601 PolarHBondContact O-N 2.87Å; M601-E605 WeakPolarHBondContact O-CG 3.19Å; M601-E605 PolarHBondContact O-N 3.08Å |
| 602 | R | 80.9 | Confident | 79.1 | Confident | 159 Ų | 159 | 82.7 Ų | 82.7 | 60% | 0.6 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -76.4 | -30.5 | 177.7 | -78.6 | -174.4 | -72 | 174.1 | 0.9 | 112.6 | A598 A599 E600 T606 | A598-R602 WeakPolarHBondContact O-CG 3.5Å; A598-R602 PolarHBondContact O-NE 3.2Å; A599-R602 PolarHBondContact O-N 3.34Å; A599-R602 VanDerWaalsContact O-N 3.11Å; E600-R602 VanDerWaalsContact C-N 3.31Å; E600-R602 PolarHBondContact O-N 3.36Å; R602-T606 PolarHBondContact O-N 3.37Å; R602-T606 PolarHBondContact O-OG1 3.22Å |
| 603 | E | 82.6 | Confident | 79.1 | Confident | 121 Ų | 121 | 82 Ų | 82 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.7 | -49.2 | 173.7 | -168.7 | 168.2 | -166.1 | 0 | 0 | 110.1 | A599 E600 E605 T606 D607 | A599-E603 PolarHBondContact O-N 3.43Å; E600-E603 PolarHBondContact O-N 3.06Å; E603-E605 VanDerWaalsContact C-N 3.27Å; E603-E605 PolarHBondContact O-N 2.84Å; E603-T606 PolarHBondContact O-N 3.25Å; E603-D607 VanDerWaalsContact O-CG 3.32Å; E603-D607 PolarHBondContact O-N 3.39Å |
| 604 | I | 82.4 | Confident | 79.2 | Confident | 12 Ų | 12 | 78.9 Ų | 78.9 | 6% | 0.062 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.7 | -36.8 | 175.4 | -64.9 | 165.2 | 0 | 0 | 0 | 112.1 | W587 M596 E600 T606 Q614 L617 L618 | W587-I604 HydrophobicContact CH2-CB 4.18Å; W587-I604 HydrophobicContact CH2-CG2 3.88Å; W587-I604 HydrophobicContact CZ2-CG2 4.23Å; W587-I604 HydrophobicContact CZ3-CG2 4.22Å; M596-I604 HydrophobicContact CE-CD1 4.01Å; E600-I604 VanDerWaalsContact O-CG1 3.32Å; E600-I604 WeakPolarHBondContact O-CG1 3.44Å; E600-I604 PolarHBondContact O-N 2.65Å; I604-T606 VanDerWaalsContact C-N 3.33Å; I604-Q614 HydrophobicContact CG2-CB 3.97Å; I604-Q614 HydrophobicContact CG2-CG 4.21Å; I604-L617 HydrophobicContact CG1-CB 4.4Å; I604-L617 HydrophobicContact CG2-CB 4.02Å; I604-L618 HydrophobicContact CD1-CB 4.43Å; I604-L618 HydrophobicContact CD1-CD1 4.04Å |
| 605 | E | 80.2 | Confident | 79.3 | Confident | 78 Ų | 78 | 78.5 Ų | 78.5 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.6 | -31.4 | 174.1 | -79.6 | 176.8 | 176 | 0 | 0 | 113.8 | W587 K588 M601 E603 | W587-E605 HydrophobicContact CH2-CG 4.02Å; W587-E605 HydrophobicContact CZ2-CG 3.85Å; K588-E605 WeakPolarHBondContact CE-OE1 3.39Å; K588-E605 IonicContact NZ-OE1 3.04Å; K588-E605 PolarHBondContact NZ-OE1 2.81Å; M601-E605 WeakPolarHBondContact O-CG 3.19Å; M601-E605 PolarHBondContact O-N 3.08Å; E603-E605 VanDerWaalsContact C-N 3.27Å; E603-E605 PolarHBondContact O-N 2.84Å |
| 606 | T | 80.3 | Confident | 79.6 | Confident | 119 Ų | 119 | 74.9 Ų | 74.9 | 73% | 0.73 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -83.4 | -29.2 | -178.3 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | R602 E603 I604 | R602-T606 PolarHBondContact O-N 3.37Å; R602-T606 PolarHBondContact O-OG1 3.22Å; E603-T606 PolarHBondContact O-N 3.25Å; I604-T606 VanDerWaalsContact C-N 3.33Å |
| 607 | D | 77.8 | Confident | 79.7 | Confident | 108 Ų | 108 | 77 Ų | 77 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -76.6 | -21.7 | -174.3 | -75 | -11.8 | 0 | 0 | 0 | 114.3 | E603 L617 | E603-D607 VanDerWaalsContact O-CG 3.32Å; E603-D607 PolarHBondContact O-N 3.39Å; D607-L617 HydrophobicContact CB-CD1 4.35Å |
| 608 | S | 75 | Confident | 79.9 | Confident | 23 Ų | 23 | 70.3 Ų | 70.3 | 16% | 0.161 | 37% | 0.37 | C | S | . | . | trans | -153.7 | 138.8 | 177.7 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | D610 Q614 | S608-D610 PolarHBondContact OG-N 3.04Å; S608-D610 VanDerWaalsContact OG-N 3.09Å; S608-D610 PolarHBondContact OG-O 3.39Å; S608-Q614 PolarHBondContact O-NE2 3.36Å | ||
| 609 | E | 71.3 | Confident | 80.3 | Confident | 200 Ų | 200 | 67.4 Ų | 67.4 | 94% | 0.935 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -82.7 | -15.5 | 169.5 | -64.2 | -175.3 | 173.7 | 0 | 0 | 112.6 | ||
| 610 | D | 78.8 | Confident | 80.5 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | trans | -83.7 | 122.4 | 178.6 | -168.9 | -22.6 | 0 | 0 | 0 | 111 | S608 D612 V613 Q614 | S608-D610 PolarHBondContact OG-N 3.04Å; S608-D610 VanDerWaalsContact OG-N 3.09Å; S608-D610 PolarHBondContact OG-O 3.39Å; D610-D612 PolarHBondContact O-N 2.93Å; D610-D612 PolarHBondContact OD1-N 3.06Å; D610-V613 HydrophobicContact CB-CB 4.11Å; D610-V613 HydrophobicContact CB-CG2 3.83Å; D610-V613 PolarHBondContact O-N 3.42Å; D610-Q614 WeakPolarHBondContact O-CG 3.49Å; D610-Q614 PolarHBondContact O-N 2.75Å | ||
| 611 | V | 78.9 | Confident | 80.7 | Confident | 52 Ų | 52 | 65.8 Ų | 65.8 | 32% | 0.315 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.2 | -34.1 | -174 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | G584 V613 Q614 A615 | G584-V611 WeakPolarHBondContact O-CG1 3.31Å; V611-V613 VanDerWaalsContact C-N 3.35Å; V611-Q614 PolarHBondContact O-N 3.2Å; V611-A615 PolarHBondContact O-N 3.25Å; V611-A615 VanDerWaalsContact O-N 3.08Å |
| 612 | D | 75.3 | Confident | 81.1 | Confident | 76 Ų | 76 | 64.2 Ų | 64.2 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -74.4 | -33.4 | 179.5 | -66.8 | -22.1 | 0 | 0 | 0 | 110.5 | D610 A615 K616 | D610-D612 PolarHBondContact O-N 2.93Å; D610-D612 PolarHBondContact OD1-N 3.06Å; D612-A615 PolarHBondContact O-N 3.17Å; D612-K616 PolarHBondContact O-N 2.84Å; D612-K616 VanDerWaalsContact O-N 3.09Å |
| 613 | V | 80.6 | Confident | 81.2 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 173.5 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | D610 V611 A615 K616 L617 | D610-V613 HydrophobicContact CB-CB 4.11Å; D610-V613 HydrophobicContact CB-CG2 3.83Å; D610-V613 PolarHBondContact O-N 3.42Å; V611-V613 VanDerWaalsContact C-N 3.35Å; V613-A615 PolarHBondContact O-N 3.31Å; V613-K616 PolarHBondContact O-N 3.24Å; V613-L617 HydrophobicContact CG1-CD1 4.09Å; V613-L617 HydrophobicContact CG1-CG 4.37Å; V613-L617 WeakPolarHBondContact O-CB 3.45Å; V613-L617 VanDerWaalsContact O-CG 3.31Å; V613-L617 WeakPolarHBondContact O-CG 3.3Å; V613-L617 PolarHBondContact O-N 3.45Å |
| 614 | Q | 82.9 | Confident | 81.1 | Confident | 22 Ų | 22 | 60.9 Ų | 60.9 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 173.8 | -70.9 | 175.1 | -9.7 | 0 | 0 | 112 | W587 I604 S608 D610 V611 K616 L617 L618 | W587-Q614 HydrophobicContact CD2-CB 4.42Å; W587-Q614 HydrophobicContact CZ2-CB 4.05Å; W587-Q614 HydrophobicContact CZ2-CG 4.38Å; I604-Q614 HydrophobicContact CG2-CB 3.97Å; I604-Q614 HydrophobicContact CG2-CG 4.21Å; S608-Q614 PolarHBondContact O-NE2 3.36Å; D610-Q614 WeakPolarHBondContact O-CG 3.49Å; D610-Q614 PolarHBondContact O-N 2.75Å; V611-Q614 PolarHBondContact O-N 3.2Å; Q614-K616 VanDerWaalsContact C-N 3.32Å; Q614-K616 PolarHBondContact O-N 2.91Å; Q614-L617 PolarHBondContact O-N 3.09Å; Q614-L618 PolarHBondContact O-N 3.22Å |
| 615 | A | 84 | Confident | 81 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A580 L583 W587 V611 D612 V613 L618 L619 | A580-A615 HydrophobicContact CB-CB 3.97Å; L583-A615 HydrophobicContact CB-CB 4.38Å; L583-A615 HydrophobicContact CD2-CB 4.21Å; W587-A615 HydrophobicContact CB-CB 3.86Å; W587-A615 HydrophobicContact CG-CB 4.44Å; V611-A615 PolarHBondContact O-N 3.25Å; V611-A615 VanDerWaalsContact O-N 3.08Å; D612-A615 PolarHBondContact O-N 3.17Å; V613-A615 PolarHBondContact O-N 3.31Å; A615-L618 WeakPolarHBondContact O-CB 3.48Å; A615-L619 WeakPolarHBondContact O-CG 3.23Å; A615-L619 PolarHBondContact O-N 2.81Å |
| 616 | K | 84.3 | Confident | 80.9 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 174.7 | -176.7 | 174.9 | 177.8 | 156.5 | 0 | 112.2 | D577 A580 D612 V613 Q614 L618 L619 V620 | D577-K616 WeakPolarHBondContact OD1-CD 3.41Å; D577-K616 WeakPolarHBondContact OD1-CE 3.44Å; D577-K616 IonicContact OD1-NZ 3.77Å; D577-K616 PolarHBondContact OD1-NZ 3.01Å; D577-K616 IonicContact OD2-NZ 2.63Å; D577-K616 PolarHBondContact OD2-NZ 3.06Å; A580-K616 HydrophobicContact CB-CB 3.87Å; D612-K616 PolarHBondContact O-N 2.84Å; D612-K616 VanDerWaalsContact O-N 3.09Å; V613-K616 PolarHBondContact O-N 3.24Å; Q614-K616 VanDerWaalsContact C-N 3.32Å; Q614-K616 PolarHBondContact O-N 2.91Å; K616-L618 PolarHBondContact O-N 3.05Å; K616-L619 PolarHBondContact O-N 3.47Å; K616-L619 VanDerWaalsContact O-N 3.14Å; K616-V620 HydrophobicContact CG-CG2 4.47Å; K616-V620 WeakPolarHBondContact O-CG2 3.43Å; K616-V620 PolarHBondContact O-N 2.9Å |
| 617 | L | 82.8 | Confident | 80.6 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 32% | 0.319 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.8 | -37 | 177.3 | -74.5 | 170.9 | 0 | 0 | 0 | 111.7 | I604 D607 V613 Q614 V620 A621 | I604-L617 HydrophobicContact CG1-CB 4.4Å; I604-L617 HydrophobicContact CG2-CB 4.02Å; D607-L617 HydrophobicContact CB-CD1 4.35Å; V613-L617 HydrophobicContact CG1-CD1 4.09Å; V613-L617 HydrophobicContact CG1-CG 4.37Å; V613-L617 WeakPolarHBondContact O-CB 3.45Å; V613-L617 VanDerWaalsContact O-CG 3.31Å; V613-L617 WeakPolarHBondContact O-CG 3.3Å; V613-L617 PolarHBondContact O-N 3.45Å; Q614-L617 PolarHBondContact O-N 3.09Å; L617-V620 PolarHBondContact O-N 3.24Å; L617-A621 VanDerWaalsContact O-CB 3.26Å; L617-A621 WeakPolarHBondContact O-CB 3.26Å; L617-A621 PolarHBondContact O-N 2.64Å |
| 618 | L | 85.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 172.6 | -173.4 | 81.2 | 0 | 0 | 0 | 112.4 | W587 L590 A591 L594 M596 I604 Q614 A615 K616 V620 A621 W622 | W587-L618 HydrophobicContact CB-CD2 4.25Å; W587-L618 HydrophobicContact CE3-CB 4.37Å; W587-L618 HydrophobicContact CE3-CD1 3.86Å; W587-L618 HydrophobicContact CE3-CD2 4.14Å; W587-L618 HydrophobicContact CE3-CG 4.36Å; W587-L618 HydrophobicContact CZ3-CD1 3.98Å; W587-L618 WeakPolarHBondContact O-CD2 3.38Å; L590-L618 HydrophobicContact CB-CD2 4.36Å; L590-L618 HydrophobicContact CD2-CD2 4.43Å; L590-L618 HydrophobicContact CG-CD2 4.48Å; A591-L618 HydrophobicContact CB-CD1 3.44Å; A591-L618 VanDerWaalsContact CB-CD1 3.44Å; A591-L618 HydrophobicContact CB-CD2 4Å; A591-L618 HydrophobicContact CB-CG 4.35Å; L594-L618 HydrophobicContact CD1-CD2 4.41Å; M596-L618 HydrophobicContact CE-CD1 3.86Å; M596-L618 HydrophobicContact CG-CD1 4.45Å; M596-L618 HydrophobicContact SD-CD1 3.14Å; M596-L618 WeakPolarHBondContact SD-CD1 3.28Å; M596-L618 HydrophobicContact SD-CG 3.79Å; I604-L618 HydrophobicContact CD1-CB 4.43Å; I604-L618 HydrophobicContact CD1-CD1 4.04Å; Q614-L618 PolarHBondContact O-N 3.22Å; A615-L618 WeakPolarHBondContact O-CB 3.48Å; K616-L618 PolarHBondContact O-N 3.05Å; L618-V620 VanDerWaalsContact C-N 3.34Å; L618-A621 PolarHBondContact O-N 3.45Å; L618-W622 WeakPolarHBondContact O-CB 3.39Å; L618-W622 PolarHBondContact O-N 3.46Å |
| 619 | L | 84 | Confident | 79.8 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.4 | -36.5 | -177.6 | -66.5 | 173.8 | 0 | 0 | 0 | 111.9 | M576 I579 A580 L590 A615 K616 W622 Q623 L635 | M576-L619 HydrophobicContact CB-CB 4.28Å; M576-L619 HydrophobicContact CB-CD1 4.04Å; M576-L619 HydrophobicContact CG-CB 4.11Å; M576-L619 HydrophobicContact CG-CD1 4.34Å; M576-L619 WeakPolarHBondContact O-CD1 3.48Å; M576-L619 HydrophobicContact SD-CB 3.89Å; I579-L619 HydrophobicContact CB-CD1 4.02Å; I579-L619 HydrophobicContact CG2-CD1 3.89Å; A580-L619 HydrophobicContact CB-CD1 4.48Å; L590-L619 HydrophobicContact CD2-CD2 4.15Å; A615-L619 WeakPolarHBondContact O-CG 3.23Å; A615-L619 PolarHBondContact O-N 2.81Å; K616-L619 PolarHBondContact O-N 3.47Å; K616-L619 VanDerWaalsContact O-N 3.14Å; L619-W622 PolarHBondContact O-N 3.39Å; L619-Q623 WeakPolarHBondContact O-CB 3.37Å; L619-Q623 PolarHBondContact O-N 2.8Å; L619-L635 HydrophobicContact CD2-CD1 3.89Å; L619-L635 HydrophobicContact CD2-CD2 4.35Å |
| 620 | V | 84.9 | Confident | 80 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 26% | 0.255 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.3 | -47.8 | 174.2 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | K616 L617 L618 W622 Q623 E624 | K616-V620 HydrophobicContact CG-CG2 4.47Å; K616-V620 WeakPolarHBondContact O-CG2 3.43Å; K616-V620 PolarHBondContact O-N 2.9Å; L617-V620 PolarHBondContact O-N 3.24Å; L618-V620 VanDerWaalsContact C-N 3.34Å; V620-W622 VanDerWaalsContact C-N 3.27Å; V620-W622 PolarHBondContact O-N 3.33Å; V620-Q623 PolarHBondContact O-N 2.64Å; V620-Q623 VanDerWaalsContact O-N 3.13Å; V620-E624 HydrophobicContact CG1-CG 4.46Å; V620-E624 WeakPolarHBondContact O-CG 3.02Å; V620-E624 PolarHBondContact O-N 2.81Å |
| 621 | A | 83.1 | Confident | 80.2 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 28% | 0.281 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.2 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M596 L617 L618 R625 | M596-A621 HydrophobicContact CE-CB 3.82Å; L617-A621 VanDerWaalsContact O-CB 3.26Å; L617-A621 WeakPolarHBondContact O-CB 3.26Å; L617-A621 PolarHBondContact O-N 2.64Å; L618-A621 PolarHBondContact O-N 3.45Å; A621-R625 WeakPolarHBondContact O-CB 3.39Å; A621-R625 PolarHBondContact O-N 3.04Å; A621-R625 VanDerWaalsContact O-N 3.14Å |
| 622 | W | 86.5 | Confident | 80.3 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 5% | 0.045 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 172.6 | 173 | 74.4 | 0 | 0 | 0 | 112.2 | V571 L594 L618 L619 V620 E624 R625 E626 A630 N634 L635 | V571-W622 HydrophobicContact CG2-CH2 4.49Å; V571-W622 HydrophobicContact CG2-CZ3 4.22Å; L594-W622 HydrophobicContact CD1-CB 4.26Å; L594-W622 HydrophobicContact CD1-CG 4.05Å; L594-W622 HydrophobicContact CD2-CD2 4.31Å; L594-W622 HydrophobicContact CD2-CG 4.22Å; L618-W622 WeakPolarHBondContact O-CB 3.39Å; L618-W622 PolarHBondContact O-N 3.46Å; L619-W622 PolarHBondContact O-N 3.39Å; V620-W622 VanDerWaalsContact C-N 3.27Å; V620-W622 PolarHBondContact O-N 3.33Å; W622-E624 PolarHBondContact O-N 2.99Å; W622-R625 PolarHBondContact O-N 3.14Å; W622-E626 HydrophobicContact CG-CG 4.49Å; W622-E626 HydrophobicContact CZ2-CG 4.45Å; W622-E626 PolarHBondContact O-N 2.57Å; W622-A630 HydrophobicContact CE3-CB 4.39Å; W622-A630 HydrophobicContact CH2-CB 3.82Å; W622-A630 HydrophobicContact CZ2-CB 4.38Å; W622-A630 HydrophobicContact CZ3-CB 3.82Å; W622-N634 HydrophobicContact CZ2-CB 4.43Å; W622-L635 HydrophobicContact CE3-CD1 4.37Å; W622-L635 HydrophobicContact CH2-CB 3.75Å; W622-L635 HydrophobicContact CH2-CD1 4.32Å; W622-L635 HydrophobicContact CH2-CG 4.47Å; W622-L635 HydrophobicContact CZ2-CB 4.5Å; W622-L635 HydrophobicContact CZ3-CB 4.08Å; W622-L635 HydrophobicContact CZ3-CD1 4.13Å; W622-L635 HydrophobicContact CZ3-CD2 4.22Å; W622-L635 HydrophobicContact CZ3-CG 4.37Å |
| 623 | Q | 83.1 | Confident | 80.6 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 24% | 0.238 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 178.1 | -175.9 | 177.7 | 55.7 | 0 | 0 | 112.3 | V571 M576 L619 V620 R625 G627 A630 | V571-Q623 PolarHBondContact O-NE2 3.27Å; M576-Q623 VanDerWaalsContact CE-OE1 3.28Å; L619-Q623 WeakPolarHBondContact O-CB 3.37Å; L619-Q623 PolarHBondContact O-N 2.8Å; V620-Q623 PolarHBondContact O-N 2.64Å; V620-Q623 VanDerWaalsContact O-N 3.13Å; Q623-R625 VanDerWaalsContact C-N 3.26Å; Q623-R625 PolarHBondContact O-N 2.81Å; Q623-G627 PolarHBondContact O-N 3.37Å; Q623-A630 HydrophobicContact CB-CB 4.4Å; Q623-A630 HydrophobicContact CG-CB 4.04Å |
| 624 | E | 80.8 | Confident | 80.6 | Confident | 159 Ų | 159 | 53.1 Ų | 53.1 | 74% | 0.743 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.4 | -33.3 | 175.5 | -73.4 | -173.6 | 166.2 | 0 | 0 | 112.2 | V620 W622 | V620-E624 HydrophobicContact CG1-CG 4.46Å; V620-E624 WeakPolarHBondContact O-CG 3.02Å; V620-E624 PolarHBondContact O-N 2.81Å; W622-E624 PolarHBondContact O-N 2.99Å |
| 625 | R | 81.3 | Confident | 80.5 | Confident | 97 Ų | 97 | 52 Ų | 52 | 37% | 0.366 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -75.5 | -45.7 | 178.7 | -165.9 | -177.1 | 75.8 | -173.2 | 4.1 | 113.1 | L594 E595 A621 W622 Q623 | L594-R625 PolarHBondContact O-NH1 2.89Å; L594-R625 PolarHBondContact O-NH2 3.21Å; E595-R625 PolarHBondContact O-NH1 3.26Å; A621-R625 WeakPolarHBondContact O-CB 3.39Å; A621-R625 PolarHBondContact O-N 3.04Å; A621-R625 VanDerWaalsContact O-N 3.14Å; W622-R625 PolarHBondContact O-N 3.14Å; Q623-R625 VanDerWaalsContact C-N 3.26Å; Q623-R625 PolarHBondContact O-N 2.81Å |
| 626 | E | 76.8 | Confident | 80.4 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -89 | -18.4 | -173.4 | -60.3 | -56.1 | 145.6 | 0 | 0 | 113.7 | W622 S628 Q629 A630 | W622-E626 HydrophobicContact CG-CG 4.49Å; W622-E626 HydrophobicContact CZ2-CG 4.45Å; W622-E626 PolarHBondContact O-N 2.57Å; E626-S628 PolarHBondContact O-N 2.84Å; E626-Q629 HydrophobicContact CB-CB 4.46Å; E626-Q629 PolarHBondContact O-N 3.01Å; E626-A630 HydrophobicContact CB-CB 4.21Å |
| 627 | G | 74.8 | Confident | 80.4 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 44% | 0.443 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | 56.4 | -119.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q623 Q629 A630 | Q623-G627 PolarHBondContact O-N 3.37Å; G627-Q629 PolarHBondContact O-N 3.36Å; G627-A630 WeakPolarHBondContact O-CB 3.36Å; G627-A630 PolarHBondContact O-N 3.49Å |
| 628 | S | 66.6 | Low | 80.4 | Confident | 100 Ų | 100 | 51 Ų | 51 | 70% | 0.699 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -70.6 | -9 | -179.7 | 60.2 | 0 | 0 | 0 | 0 | 114.4 | E626 | E626-S628 PolarHBondContact O-N 2.84Š|
| 629 | Q | 68.5 | Low | 80.2 | Confident | 116 Ų | 116 | 51 Ų | 51 | 54% | 0.542 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -92.7 | -1 | 174.4 | -61.8 | -64.4 | -38.7 | 0 | 0 | 112.4 | E626 G627 T631 N634 | E626-Q629 HydrophobicContact CB-CB 4.46Å; E626-Q629 PolarHBondContact O-N 3.01Å; G627-Q629 PolarHBondContact O-N 3.36Å; Q629-T631 PolarHBondContact O-N 2.93Å; Q629-N634 PolarHBondContact O-ND2 3.13Å |
| 630 | A | 76.9 | Confident | 80.1 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | trans | -76.6 | 60.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V571 W622 Q623 E626 G627 | V571-A630 PolarHBondContact N-O 2.84Å; W622-A630 HydrophobicContact CE3-CB 4.39Å; W622-A630 HydrophobicContact CH2-CB 3.82Å; W622-A630 HydrophobicContact CZ2-CB 4.38Å; W622-A630 HydrophobicContact CZ3-CB 3.82Å; Q623-A630 HydrophobicContact CB-CB 4.4Å; Q623-A630 HydrophobicContact CG-CB 4.04Å; E626-A630 HydrophobicContact CB-CB 4.21Å; G627-A630 WeakPolarHBondContact O-CB 3.36Å; G627-A630 PolarHBondContact O-N 3.49Å | ||
| 631 | T | 82.8 | Confident | 80 | Confident | 16 Ų | 16 | 54.7 Ų | 54.7 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -84.1 | 156.6 | 179 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | Q629 E633 N634 L635 | Q629-T631 PolarHBondContact O-N 2.93Å; T631-E633 PolarHBondContact O-N 2.89Å; T631-N634 PolarHBondContact O-N 2.88Å; T631-N634 PolarHBondContact OG1-N 3.18Å; T631-N634 PolarHBondContact OG1-ND2 3.16Å; T631-L635 PolarHBondContact O-N 3.24Å; T631-L635 VanDerWaalsContact O-N 3.13Å |
| 632 | V | 81 | Confident | 79.8 | Confident | 13 Ų | 13 | 53.7 Ų | 53.7 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.6 | -38.3 | 174.4 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | K569 V571 L635 A636 L651 | K569-V632 HydrophobicContact CB-CG2 4.36Å; K569-V632 WeakPolarHBondContact O-CG2 3.18Å; K569-V632 PolarHBondContact O-N 3.21Å; K569-V632 VanDerWaalsContact O-N 3.16Å; V571-V632 HydrophobicContact CG2-CG2 4.07Å; V632-L635 PolarHBondContact O-N 3.45Å; V632-A636 VanDerWaalsContact O-CB 3.27Å; V632-A636 WeakPolarHBondContact O-CB 3.49Å; V632-A636 PolarHBondContact O-N 2.98Å; V632-L651 HydrophobicContact CG1-CD1 4Å; V632-L651 HydrophobicContact CG1-CD2 4.42Å; V632-L651 HydrophobicContact CG1-CG 3.72Å; V632-L651 WeakPolarHBondContact CG1-O 3.42Å |
| 633 | E | 80.5 | Confident | 79.4 | Confident | 126 Ų | 126 | 55.9 Ų | 55.9 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 178.3 | -66.6 | 174.8 | -175.7 | 0 | 0 | 113.1 | T631 A636 T637 | T631-E633 PolarHBondContact O-N 2.89Å; E633-A636 PolarHBondContact O-N 3.35Å; E633-T637 WeakPolarHBondContact O-CB 3.49Å; E633-T637 PolarHBondContact O-N 3.49Å; E633-T637 PolarHBondContact O-OG1 3.18Å |
| 634 | N | 80.8 | Confident | 79.4 | Confident | 70 Ų | 70 | 55 Ų | 55 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 179 | -74.9 | -10.4 | 0 | 0 | 0 | 111.1 | W622 Q629 T631 T637 A638 | W622-N634 HydrophobicContact CZ2-CB 4.43Å; Q629-N634 PolarHBondContact O-ND2 3.13Å; T631-N634 PolarHBondContact O-N 2.88Å; T631-N634 PolarHBondContact OG1-N 3.18Å; T631-N634 PolarHBondContact OG1-ND2 3.16Å; N634-T637 PolarHBondContact O-N 3.27Å; N634-A638 PolarHBondContact O-N 3.05Å |
| 635 | L | 82.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 174.8 | -173.4 | 58.8 | 0 | 0 | 0 | 111.8 | V571 I579 L594 L619 W622 T631 V632 T637 A638 L639 L651 | V571-L635 HydrophobicContact CG1-CD2 3.9Å; V571-L635 HydrophobicContact CG2-CB 4.14Å; V571-L635 HydrophobicContact CG2-CD2 3.87Å; I579-L635 HydrophobicContact CD1-CD2 3.75Å; L594-L635 HydrophobicContact CD2-CD1 4.42Å; L619-L635 HydrophobicContact CD2-CD1 3.89Å; L619-L635 HydrophobicContact CD2-CD2 4.35Å; W622-L635 HydrophobicContact CE3-CD1 4.37Å; W622-L635 HydrophobicContact CH2-CB 3.75Å; W622-L635 HydrophobicContact CH2-CD1 4.32Å; W622-L635 HydrophobicContact CH2-CG 4.47Å; W622-L635 HydrophobicContact CZ2-CB 4.5Å; W622-L635 HydrophobicContact CZ3-CB 4.08Å; W622-L635 HydrophobicContact CZ3-CD1 4.13Å; W622-L635 HydrophobicContact CZ3-CD2 4.22Å; W622-L635 HydrophobicContact CZ3-CG 4.37Å; T631-L635 PolarHBondContact O-N 3.24Å; T631-L635 VanDerWaalsContact O-N 3.13Å; V632-L635 PolarHBondContact O-N 3.45Å; L635-T637 VanDerWaalsContact C-N 3.31Å; L635-T637 PolarHBondContact O-N 3.35Å; L635-A638 PolarHBondContact O-N 2.75Å; L635-L639 HydrophobicContact CD1-CG 4.5Å; L635-L639 HydrophobicContact CG-CD1 4.07Å; L635-L639 WeakPolarHBondContact O-CB 3.12Å; L635-L639 VanDerWaalsContact O-CG 3.3Å; L635-L639 WeakPolarHBondContact O-CG 3.33Å; L635-L639 PolarHBondContact O-N 3.4Å; L635-L651 HydrophobicContact CB-CD2 3.92Å; L635-L651 HydrophobicContact CD2-CD2 3.8Å; L635-L651 HydrophobicContact CG-CD2 3.76Å |
| 636 | A | 82 | Confident | 78.9 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 12% | 0.124 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -37.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V632 E633 S640 A648 L651 | V632-A636 VanDerWaalsContact O-CB 3.27Å; V632-A636 WeakPolarHBondContact O-CB 3.49Å; V632-A636 PolarHBondContact O-N 2.98Å; E633-A636 PolarHBondContact O-N 3.35Å; A636-S640 WeakPolarHBondContact O-CB 3.48Å; A636-S640 PolarHBondContact O-N 3Å; A636-S640 PolarHBondContact O-OG 3.45Å; A636-A648 HydrophobicContact CB-CB 4.18Å; A636-A648 VanDerWaalsContact O-CB 3.25Å; A636-A648 WeakPolarHBondContact O-CB 3.37Å; A636-L651 HydrophobicContact CB-CD2 4.33Å |
| 637 | T | 83.9 | Confident | 79 | Confident | 94 Ų | 94 | 50.5 Ų | 50.5 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.2 | -45.4 | 175.3 | -56 | 0 | 0 | 0 | 0 | 111 | E633 N634 L635 S640 A641 | E633-T637 WeakPolarHBondContact O-CB 3.49Å; E633-T637 PolarHBondContact O-N 3.49Å; E633-T637 PolarHBondContact O-OG1 3.18Å; N634-T637 PolarHBondContact O-N 3.27Å; L635-T637 VanDerWaalsContact C-N 3.31Å; L635-T637 PolarHBondContact O-N 3.35Å; T637-S640 PolarHBondContact O-N 3.36Å; T637-A641 WeakPolarHBondContact O-CB 3.39Å; T637-A641 PolarHBondContact O-N 3.42Å |
| 638 | A | 81.8 | Confident | 79 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 11% | 0.107 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L590 L594 N634 L635 A641 A642 | L590-A638 HydrophobicContact CD1-CB 4.4Å; L594-A638 HydrophobicContact CD2-CB 3.41Å; L594-A638 VanDerWaalsContact CD2-CB 3.41Å; L594-A638 HydrophobicContact CG-CB 4.32Å; N634-A638 PolarHBondContact O-N 3.05Å; L635-A638 PolarHBondContact O-N 2.75Å; A638-A641 PolarHBondContact O-N 3.41Å; A638-A642 WeakPolarHBondContact O-CB 3.48Å; A638-A642 PolarHBondContact O-N 3.04Å |
| 639 | L | 82.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 174.5 | -76.8 | 167.2 | 0 | 0 | 0 | 111.9 | I579 L583 L590 L635 A642 G643 F644 L647 A648 L651 | I579-L639 HydrophobicContact CD1-CD1 4.26Å; I579-L639 HydrophobicContact CG2-CD1 4.49Å; I579-L639 HydrophobicContact CG2-CD2 4.37Å; L583-L639 HydrophobicContact CD1-CD2 4.24Å; L590-L639 HydrophobicContact CD1-CD2 3.82Å; L590-L639 HydrophobicContact CD1-CG 4.18Å; L590-L639 HydrophobicContact CD2-CD2 3.75Å; L590-L639 HydrophobicContact CG-CD2 4.41Å; L635-L639 HydrophobicContact CD1-CG 4.5Å; L635-L639 HydrophobicContact CG-CD1 4.07Å; L635-L639 WeakPolarHBondContact O-CB 3.12Å; L635-L639 VanDerWaalsContact O-CG 3.3Å; L635-L639 WeakPolarHBondContact O-CG 3.33Å; L635-L639 PolarHBondContact O-N 3.4Å; L639-A642 PolarHBondContact O-N 3.17Å; L639-G643 PolarHBondContact O-N 2.98Å; L639-F644 HydrophobicContact CB-CB 4.37Å; L639-F644 HydrophobicContact CD2-CB 4.17Å; L639-F644 HydrophobicContact CD2-CD2 4.28Å; L639-F644 WeakPolarHBondContact O-CA 3.28Å; L639-F644 WeakPolarHBondContact O-CB 3.49Å; L639-F644 PolarHBondContact O-N 3.32Å; L639-L647 HydrophobicContact CD1-CB 4.47Å; L639-A648 HydrophobicContact CB-CB 4.03Å; L639-L651 HydrophobicContact CD1-CD2 3.91Å |
| 640 | S | 82 | Confident | 79.7 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 176 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | A636 T637 A642 G643 A648 | A636-S640 WeakPolarHBondContact O-CB 3.48Å; A636-S640 PolarHBondContact O-N 3Å; A636-S640 PolarHBondContact O-OG 3.45Å; T637-S640 PolarHBondContact O-N 3.36Å; S640-A642 VanDerWaalsContact C-N 3.27Å; S640-A642 PolarHBondContact O-N 3.09Å; S640-G643 PolarHBondContact O-N 3.12Å; S640-G643 VanDerWaalsContact O-N 3.11Å; S640-A648 WeakPolarHBondContact OG-CB 3.32Å |
| 641 | A | 81.9 | Confident | 79.5 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.7 | -33.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H593 T637 A638 G643 | H593-A641 PolarHBondContact CE1-O 3.04Å; T637-A641 WeakPolarHBondContact O-CB 3.39Å; T637-A641 PolarHBondContact O-N 3.42Å; A638-A641 PolarHBondContact O-N 3.41Å; A641-G643 VanDerWaalsContact C-N 3.26Å; A641-G643 PolarHBondContact O-N 3.02Å |
| 642 | A | 79.6 | Confident | 78.4 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 11% | 0.107 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 0.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L590 H593 A638 L639 S640 F644 | L590-A642 HydrophobicContact CD1-CB 4.03Å; H593-A642 HydrophobicContact CB-CB 4.29Å; H593-A642 VanDerWaalsContact CD2-CA 3.48Å; H593-A642 WeakPolarHBondContact CD2-CA 3.45Å; H593-A642 VanDerWaalsContact CD2-CB 3.47Å; H593-A642 WeakPolarHBondContact CD2-CB 3.44Å; A638-A642 WeakPolarHBondContact O-CB 3.48Å; A638-A642 PolarHBondContact O-N 3.04Å; L639-A642 PolarHBondContact O-N 3.17Å; S640-A642 VanDerWaalsContact C-N 3.27Å; S640-A642 PolarHBondContact O-N 3.09Å; A642-F644 HydrophobicContact CB-CD2 3.72Å; A642-F644 HydrophobicContact CB-CE2 3.9Å |
| 643 | G | 77.5 | Confident | 77.3 | Confident | 59 Ų | 59 | 61.6 Ų | 61.6 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 9.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | L639 S640 A641 S645 | L639-G643 PolarHBondContact O-N 2.98Å; S640-G643 PolarHBondContact O-N 3.12Å; S640-G643 VanDerWaalsContact O-N 3.11Å; A641-G643 VanDerWaalsContact C-N 3.26Å; A641-G643 PolarHBondContact O-N 3.02Å; G643-S645 PolarHBondContact O-N 3.26Å |
| 644 | F | 82.9 | Confident | 75.8 | Confident | 31 Ų | 31 | 59 Ų | 59 | 14% | 0.136 | 36% | 0.355 | C | S | . | . | trans | -98.3 | 49.1 | 179.3 | -57.8 | -73.4 | 0 | 0 | 0 | 112.8 | L583 Q586 L639 A642 Q646 L647 A648 | L583-F644 HydrophobicContact CD1-CD2 4.04Å; L583-F644 HydrophobicContact CD1-CE1 4.32Å; L583-F644 HydrophobicContact CD1-CE2 3.82Å; L583-F644 HydrophobicContact CD1-CG 4.41Å; L583-F644 HydrophobicContact CD1-CZ 3.99Å; Q586-F644 HydrophobicContact CB-CE1 4.21Å; Q586-F644 HydrophobicContact CB-CZ 3.64Å; Q586-F644 VanDerWaalsContact OE1-CZ 3.23Å; L639-F644 HydrophobicContact CB-CB 4.37Å; L639-F644 HydrophobicContact CD2-CB 4.17Å; L639-F644 HydrophobicContact CD2-CD2 4.28Å; L639-F644 WeakPolarHBondContact O-CA 3.28Å; L639-F644 WeakPolarHBondContact O-CB 3.49Å; L639-F644 PolarHBondContact O-N 3.32Å; A642-F644 HydrophobicContact CB-CD2 3.72Å; A642-F644 HydrophobicContact CB-CE2 3.9Å; F644-Q646 PolarHBondContact O-N 3.39Å; F644-L647 HydrophobicContact CB-CB 4.16Å; F644-L647 HydrophobicContact CB-CD1 4.09Å; F644-L647 HydrophobicContact CB-CG 4.33Å; F644-L647 HydrophobicContact CD1-CD1 4.15Å; F644-L647 HydrophobicContact CG-CD1 4.3Å; F644-L647 PolarHBondContact O-N 3.49Å; F644-A648 PolarHBondContact O-N 3.1Å | ||
| 645 | S | 76.4 | Confident | 75.6 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 43% | 0.427 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.5 | -35.5 | -175.3 | -49.5 | 0 | 0 | 0 | 0 | 113.4 | G643 L647 A648 E649 | G643-S645 PolarHBondContact O-N 3.26Å; S645-L647 VanDerWaalsContact C-N 3.32Å; S645-L647 PolarHBondContact O-N 3.5Å; S645-A648 PolarHBondContact O-N 2.84Å; S645-E649 WeakPolarHBondContact O-CG 3.46Å; S645-E649 PolarHBondContact O-N 3.48Å |
| 646 | Q | 75.6 | Confident | 75.2 | Confident | 147 Ų | 147 | 61.6 Ų | 61.6 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.9 | -27.8 | 176.6 | -65.8 | -178.7 | 5.9 | 0 | 0 | 113.6 | F644 R650 | F644-Q646 PolarHBondContact O-N 3.39Å; Q646-R650 WeakPolarHBondContact O-CG 3.21Å; Q646-R650 PolarHBondContact O-N 3.2Å |
| 647 | L | 78.4 | Confident | 74.9 | Confident | 23 Ų | 23 | 64.2 Ų | 64.2 | 12% | 0.12 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -80.8 | -35.8 | 174.5 | -64.9 | -179.9 | 0 | 0 | 0 | 110.9 | K582 L639 F644 S645 L651 | K582-L647 HydrophobicContact CB-CD1 4.18Å; K582-L647 HydrophobicContact CB-CD2 3.72Å; K582-L647 HydrophobicContact CD-CD2 3.47Å; K582-L647 VanDerWaalsContact CD-CD2 3.47Å; K582-L647 HydrophobicContact CG-CD2 4.24Å; L639-L647 HydrophobicContact CD1-CB 4.47Å; F644-L647 HydrophobicContact CB-CB 4.16Å; F644-L647 HydrophobicContact CB-CD1 4.09Å; F644-L647 HydrophobicContact CB-CG 4.33Å; F644-L647 HydrophobicContact CD1-CD1 4.15Å; F644-L647 HydrophobicContact CG-CD1 4.3Å; F644-L647 PolarHBondContact O-N 3.49Å; S645-L647 VanDerWaalsContact C-N 3.32Å; S645-L647 PolarHBondContact O-N 3.5Å; L647-L651 VanDerWaalsContact O-CB 3.29Å; L647-L651 WeakPolarHBondContact O-CB 3.47Å; L647-L651 PolarHBondContact O-N 2.96Å |
| 648 | A | 75.9 | Confident | 74.3 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A636 L639 S640 F644 S645 L651 G652 | A636-A648 HydrophobicContact CB-CB 4.18Å; A636-A648 VanDerWaalsContact O-CB 3.25Å; A636-A648 WeakPolarHBondContact O-CB 3.37Å; L639-A648 HydrophobicContact CB-CB 4.03Å; S640-A648 WeakPolarHBondContact OG-CB 3.32Å; F644-A648 PolarHBondContact O-N 3.1Å; S645-A648 PolarHBondContact O-N 2.84Å; A648-L651 PolarHBondContact O-N 3.39Å; A648-G652 PolarHBondContact O-N 3.4Å |
| 649 | E | 74.7 | Confident | 73.9 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 61% | 0.607 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.3 | -46.9 | 176.3 | -76.3 | 174.4 | 176.7 | 0 | 0 | 111.5 | S645 L651 G652 E653 | S645-E649 WeakPolarHBondContact O-CG 3.46Å; S645-E649 PolarHBondContact O-N 3.48Å; E649-L651 VanDerWaalsContact C-N 3.27Å; E649-L651 PolarHBondContact O-N 3.17Å; E649-G652 PolarHBondContact O-N 3.03Å; E649-E653 WeakPolarHBondContact O-CG 3.4Å; E649-E653 PolarHBondContact O-N 3.07Å |
| 650 | R | 73.7 | Confident | 73.3 | Confident | 149 Ų | 149 | 69.9 Ų | 69.9 | 56% | 0.562 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.7 | -29.1 | 177.5 | -73.1 | -178.8 | -177.4 | -172.5 | 2.9 | 113.7 | Q646 | Q646-R650 WeakPolarHBondContact O-CG 3.21Å; Q646-R650 PolarHBondContact O-N 3.2Å |
| 651 | L | 72.8 | Confident | 72.6 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 4% | 0.042 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -75.4 | -33.1 | 176.2 | -178.6 | 60.6 | 0 | 0 | 0 | 111.3 | Q575 I579 V632 L635 A636 L639 L647 A648 E649 | Q575-L651 HydrophobicContact CB-CD1 4.12Å; Q575-L651 HydrophobicContact CG-CD1 4.24Å; I579-L651 HydrophobicContact CD1-CD1 3.93Å; I579-L651 HydrophobicContact CD1-CD2 3.83Å; I579-L651 HydrophobicContact CD1-CG 4.35Å; V632-L651 HydrophobicContact CG1-CD1 4Å; V632-L651 HydrophobicContact CG1-CD2 4.42Å; V632-L651 HydrophobicContact CG1-CG 3.72Å; V632-L651 WeakPolarHBondContact CG1-O 3.42Å; L635-L651 HydrophobicContact CB-CD2 3.92Å; L635-L651 HydrophobicContact CD2-CD2 3.8Å; L635-L651 HydrophobicContact CG-CD2 3.76Å; A636-L651 HydrophobicContact CB-CD2 4.33Å; L639-L651 HydrophobicContact CD1-CD2 3.91Å; L647-L651 VanDerWaalsContact O-CB 3.29Å; L647-L651 WeakPolarHBondContact O-CB 3.47Å; L647-L651 PolarHBondContact O-N 2.96Å; A648-L651 PolarHBondContact O-N 3.39Å; E649-L651 VanDerWaalsContact C-N 3.27Å; E649-L651 PolarHBondContact O-N 3.17Å |
| 652 | G | 59.9 | Low | 71.9 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 61% | 0.608 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -76.4 | -22.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A648 E649 | A648-G652 PolarHBondContact O-N 3.4Å; E649-G652 PolarHBondContact O-N 3.03Å |
| 653 | E | 57.1 | Low | 71.3 | Confident | 169 Ų | 169 | 76.3 Ų | 76.3 | 79% | 0.79 | 44% | 0.437 | S | S | * | . | trans | -83.1 | -9.3 | 177.1 | -73.6 | 179.2 | 169.2 | 0 | 0 | 114.3 | E649 | E649-E653 WeakPolarHBondContact O-CG 3.4Å; E649-E653 PolarHBondContact O-N 3.07Å | ||
| 654 | A | 50.6 | Low | 70.7 | Confident | 72 Ų | 72 | 77.8 Ų | 77.8 | 60% | 0.595 | 42% | 0.421 | S | S | * | . | trans | -112.3 | 0 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q575 | Q575-A654 PolarHBondContact NE2-OXT 2.88Š|
Retrieved 654 of 654 residues in 525.7 ms
(Link to these results)