| 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 | 41.7 | Very low | 71.5 | Confident | 189 Ų | 189 | 106.1 Ų | 106.1 | 93% | 0.931 | 51% | 0.513 | S | S | * | . | 0 | 107.1 | 0 | -110.5 | 175.5 | 177 | 0 | 0 | 107.4 | N3 | M1-N3 PolarHBondContact O-N 2.73Š| |||
| 2 | F | 51.5 | Low | 72.4 | Confident | 199 Ų | 199 | 99.7 Ų | 99.7 | 87% | 0.873 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -78.1 | 117.1 | 172.2 | -74.9 | -83.9 | 0 | 0 | 0 | 108.8 | ||
| 3 | N | 65.7 | Low | 73.1 | Confident | 133 Ų | 133 | 92.3 Ų | 92.3 | 71% | 0.711 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 131.3 | 167.9 | -80.9 | -22.6 | 0 | 0 | 0 | 108.6 | M1 | M1-N3 PolarHBondContact O-N 2.73Š|
| 4 | L | 72.2 | Confident | 73.7 | Confident | 55 Ų | 55 | 96.4 Ų | 96.4 | 29% | 0.288 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 139.8 | 173.3 | -74.3 | 162.4 | 0 | 0 | 0 | 108.7 | E6 V8 A9 L12 L171 | L4-E6 PolarHBondContact O-N 3.49Å; L4-V8 HydrophobicContact CD2-CG1 3.99Å; L4-A9 HydrophobicContact CB-CB 4.18Å; L4-L12 HydrophobicContact CD1-CD1 3.88Å; L4-L171 HydrophobicContact CD1-CD2 4.21Å |
| 5 | P | 78.4 | Confident | 74.3 | Confident | 88 Ų | 88 | 90.1 Ų | 90.1 | 57% | 0.571 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 138.9 | 168.4 | -24.2 | 32.9 | 0 | 0 | 0 | 110.1 | F7 V8 A9 | P5-F7 VanDerWaalsContact C-N 3.26Å; P5-F7 PolarHBondContact O-N 2.98Å; P5-F7 VanDerWaalsContact O-N 3.15Å; P5-V8 HydrophobicContact CB-CG2 4.16Å; P5-V8 HydrophobicContact CG-CG2 4.32Å; P5-V8 WeakPolarHBondContact O-CA 3.46Å; P5-V8 WeakPolarHBondContact O-CB 3.32Å; P5-V8 PolarHBondContact O-N 3.21Å; P5-A9 PolarHBondContact O-N 2.79Å |
| 6 | E | 78.5 | Confident | 74.8 | Confident | 130 Ų | 130 | 85.4 Ų | 85.4 | 61% | 0.607 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -55.9 | -39.4 | -169.3 | 177.1 | 161.7 | -150.9 | 0 | 0 | 113.6 | L4 V8 A9 K10 R173 | L4-E6 PolarHBondContact O-N 3.49Å; E6-V8 VanDerWaalsContact C-N 3.34Å; E6-V8 PolarHBondContact O-N 2.58Å; E6-A9 PolarHBondContact O-N 3.09Å; E6-K10 WeakPolarHBondContact O-CB 3.37Å; E6-K10 PolarHBondContact O-N 3.12Å; E6-R173 IonicContact OE1-CZ 2.88Å; E6-R173 VanDerWaalsContact OE1-CZ 3.3Å; E6-R173 IonicContact OE1-NH1 2.89Å; E6-R173 PolarHBondContact OE1-NH1 3.39Å; E6-R173 IonicContact OE1-NH2 3.96Å; E6-R173 PolarHBondContact OE1-NH2 2.86Å |
| 7 | F | 78.4 | Confident | 75.1 | Confident | 149 Ų | 149 | 83.2 Ų | 83.2 | 65% | 0.654 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | 174.8 | 172.9 | -98.4 | 0 | 0 | 0 | 112.5 | P5 K10 R11 | P5-F7 VanDerWaalsContact C-N 3.26Å; P5-F7 PolarHBondContact O-N 2.98Å; P5-F7 VanDerWaalsContact O-N 3.15Å; F7-K10 PolarHBondContact O-N 3.07Å; F7-R11 PolarHBondContact O-N 3.49Å |
| 8 | V | 80.6 | Confident | 75.6 | Confident | 36 Ų | 36 | 80.7 Ų | 80.7 | 22% | 0.218 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 178 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | L4 P5 E6 K10 R11 L12 | L4-V8 HydrophobicContact CD2-CG1 3.99Å; P5-V8 HydrophobicContact CB-CG2 4.16Å; P5-V8 HydrophobicContact CG-CG2 4.32Å; P5-V8 WeakPolarHBondContact O-CA 3.46Å; P5-V8 WeakPolarHBondContact O-CB 3.32Å; P5-V8 PolarHBondContact O-N 3.21Å; E6-V8 VanDerWaalsContact C-N 3.34Å; E6-V8 PolarHBondContact O-N 2.58Å; V8-K10 VanDerWaalsContact C-N 3.34Å; V8-K10 PolarHBondContact O-N 3.43Å; V8-R11 PolarHBondContact O-N 3Å; V8-L12 HydrophobicContact CG1-CD1 3.84Å; V8-L12 HydrophobicContact CG1-CG 4.26Å; V8-L12 WeakPolarHBondContact O-CB 3.33Å; V8-L12 WeakPolarHBondContact O-CG 3.07Å; V8-L12 PolarHBondContact O-N 3.08Å |
| 9 | A | 78.5 | Confident | 76.1 | Confident | 4 Ų | 4 | 76.9 Ų | 76.9 | 3% | 0.033 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L4 P5 E6 S13 L171 | L4-A9 HydrophobicContact CB-CB 4.18Å; P5-A9 PolarHBondContact O-N 2.79Å; E6-A9 PolarHBondContact O-N 3.09Å; A9-S13 WeakPolarHBondContact O-CB 3.34Å; A9-S13 PolarHBondContact O-N 3.04Å; A9-L171 HydrophobicContact CB-CD2 4.36Å |
| 10 | K | 80.2 | Confident | 76.5 | Confident | 102 Ų | 102 | 75.3 Ų | 75.3 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.9 | -173.2 | 178.7 | -178.2 | 177.9 | 0 | 111.9 | E6 F7 V8 R14 | E6-K10 WeakPolarHBondContact O-CB 3.37Å; E6-K10 PolarHBondContact O-N 3.12Å; F7-K10 PolarHBondContact O-N 3.07Å; V8-K10 VanDerWaalsContact C-N 3.34Å; V8-K10 PolarHBondContact O-N 3.43Å; K10-R14 WeakPolarHBondContact O-CG 3.48Å; K10-R14 PolarHBondContact O-N 2.91Å |
| 11 | R | 80.9 | Confident | 76.7 | Confident | 82 Ų | 82 | 76.9 Ų | 76.9 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66 | -49.5 | 177.5 | -174 | 69.5 | -167.4 | -164.1 | 4.5 | 111.3 | F7 V8 S13 R14 E15 Y24 | F7-R11 PolarHBondContact O-N 3.49Å; V8-R11 PolarHBondContact O-N 3Å; R11-S13 VanDerWaalsContact C-N 3.3Å; R11-S13 PolarHBondContact O-N 3.41Å; R11-R14 WeakPolarHBondContact O-CB 3.41Å; R11-R14 PolarHBondContact O-N 3.16Å; R11-R14 VanDerWaalsContact O-N 3.12Å; R11-E15 IonicContact CZ-OE1 3.48Å; R11-E15 VanDerWaalsContact CZ-OE1 3.25Å; R11-E15 IonicContact NE-OE1 2.7Å; R11-E15 PolarHBondContact NE-OE1 2.64Å; R11-E15 IonicContact NH2-OE1 3.62Å; R11-E15 PolarHBondContact NH2-OE1 2.98Å; R11-E15 WeakPolarHBondContact O-CG 3.43Å; R11-E15 PolarHBondContact O-N 3.24Å; R11-Y24 HydrophobicContact CG-CD2 4.22Å; R11-Y24 HydrophobicContact CG-CG 4.2Å |
| 12 | L | 81.8 | Confident | 78.6 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 177.6 | -72 | 174.4 | 0 | 0 | 0 | 112.2 | L4 V8 R14 E15 L16 Y24 L171 | L4-L12 HydrophobicContact CD1-CD1 3.88Å; V8-L12 HydrophobicContact CG1-CD1 3.84Å; V8-L12 HydrophobicContact CG1-CG 4.26Å; V8-L12 WeakPolarHBondContact O-CB 3.33Å; V8-L12 WeakPolarHBondContact O-CG 3.07Å; V8-L12 PolarHBondContact O-N 3.08Å; L12-R14 VanDerWaalsContact C-N 3.32Å; L12-R14 PolarHBondContact O-N 2.82Å; L12-E15 PolarHBondContact O-N 2.92Å; L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.25Å; L12-Y24 HydrophobicContact CD2-CD1 4.42Å; L12-L171 HydrophobicContact CB-CD2 3.79Å; L12-L171 HydrophobicContact CD1-CD2 4.46Å |
| 13 | S | 81.2 | Confident | 79.9 | Confident | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.028 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 174.8 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | A9 R11 K17 L171 R173 | A9-S13 WeakPolarHBondContact O-CB 3.34Å; A9-S13 PolarHBondContact O-N 3.04Å; R11-S13 VanDerWaalsContact C-N 3.3Å; R11-S13 PolarHBondContact O-N 3.41Å; S13-K17 WeakPolarHBondContact O-CG 3.42Å; S13-K17 PolarHBondContact O-N 2.99Å; S13-L171 VanDerWaalsContact CB-O 3.23Å; S13-L171 WeakPolarHBondContact CB-O 3.48Å; S13-L171 PolarHBondContact OG-O 3.09Å; S13-R173 PolarHBondContact OG-N 3.45Å; S13-R173 PolarHBondContact OG-O 3.15Å |
| 14 | R | 82.1 | Confident | 80.4 | Confident | 149 Ų | 149 | 65.9 Ų | 65.9 | 56% | 0.562 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.8 | -47.8 | 174.1 | -73 | 176.7 | 176.7 | -177 | -4.2 | 111.7 | K10 R11 L12 L16 K17 C18 | K10-R14 WeakPolarHBondContact O-CG 3.48Å; K10-R14 PolarHBondContact O-N 2.91Å; R11-R14 WeakPolarHBondContact O-CB 3.41Å; R11-R14 PolarHBondContact O-N 3.16Å; R11-R14 VanDerWaalsContact O-N 3.12Å; L12-R14 VanDerWaalsContact C-N 3.32Å; L12-R14 PolarHBondContact O-N 2.82Å; R14-L16 VanDerWaalsContact C-N 3.29Å; R14-L16 PolarHBondContact O-N 3.3Å; R14-K17 PolarHBondContact O-N 3.33Å; R14-C18 PolarHBondContact O-N 2.95Å |
| 15 | E | 83 | Confident | 80.8 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -36.5 | 177.9 | -62.9 | -65 | 163.1 | 0 | 0 | 111.3 | R11 L12 K17 C18 P19 T20 T22 G25 T28 | R11-E15 IonicContact CZ-OE1 3.48Å; R11-E15 VanDerWaalsContact CZ-OE1 3.25Å; R11-E15 IonicContact NE-OE1 2.7Å; R11-E15 PolarHBondContact NE-OE1 2.64Å; R11-E15 IonicContact NH2-OE1 3.62Å; R11-E15 PolarHBondContact NH2-OE1 2.98Å; R11-E15 WeakPolarHBondContact O-CG 3.43Å; R11-E15 PolarHBondContact O-N 3.24Å; L12-E15 PolarHBondContact O-N 2.92Å; E15-K17 PolarHBondContact O-N 3.4Å; E15-C18 CarbonylContact O-C 3.53Å; E15-C18 PolarHBondContact O-N 2.83Å; E15-P19 VanDerWaalsContact O-CA 3.27Å; E15-P19 WeakPolarHBondContact O-CA 3.3Å; E15-P19 WeakPolarHBondContact O-CD 3.27Å; E15-P19 WeakPolarHBondContact O-CG 3.27Å; E15-T20 VanDerWaalsContact CD-OG1 3.24Å; E15-T20 PolarHBondContact OE1-OG1 2.94Å; E15-T20 PolarHBondContact OE2-N 2.78Å; E15-T20 PolarHBondContact OE2-OG1 3.47Å; E15-T22 PolarHBondContact OE1-OG1 2.88Å; E15-G25 WeakPolarHBondContact OE2-CA 3.49Å; E15-T28 HydrophobicContact CB-CG2 4Å |
| 16 | L | 81.5 | Confident | 80.8 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -32.3 | 176.5 | -93.5 | 173.5 | 0 | 0 | 0 | 113.5 | L12 R14 T28 L32 Y134 L166 L171 | L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.25Å; R14-L16 VanDerWaalsContact C-N 3.29Å; R14-L16 PolarHBondContact O-N 3.3Å; L16-T28 HydrophobicContact CB-CG2 4.44Å; L16-T28 HydrophobicContact CD2-CG2 3.85Å; L16-T28 HydrophobicContact CG-CG2 3.89Å; L16-L32 HydrophobicContact CD1-CD1 4.21Å; L16-L32 HydrophobicContact CD2-CB 4.11Å; L16-L32 HydrophobicContact CD2-CD1 3.37Å; L16-L32 HydrophobicContact CD2-CG 4.21Å; L16-L32 HydrophobicContact CG-CD1 3.88Å; L16-Y134 HydrophobicContact CB-CD1 4.41Å; L16-Y134 HydrophobicContact CB-CE1 3.68Å; L16-Y134 HydrophobicContact CD1-CE1 4.39Å; L16-Y134 HydrophobicContact CD2-CE1 4.34Å; L16-Y134 VanDerWaalsContact CD2-OH 3.27Å; L16-Y134 WeakPolarHBondContact CD2-OH 3.44Å; L16-Y134 HydrophobicContact CG-CE1 4.37Å; L16-L166 HydrophobicContact CD1-CD2 3.8Å; L16-L171 HydrophobicContact CD1-CB 3.96Å; L16-L171 HydrophobicContact CD1-CD1 4.33Å |
| 17 | K | 80.1 | Confident | 80.7 | Confident | 47 Ų | 47 | 61 Ų | 61 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -80.5 | -33.8 | 178.5 | -71.4 | 174.1 | 172 | -174.6 | 0 | 113.1 | S13 R14 E15 R85 Y134 R173 G174 | S13-K17 WeakPolarHBondContact O-CG 3.42Å; S13-K17 PolarHBondContact O-N 2.99Å; R14-K17 PolarHBondContact O-N 3.33Å; E15-K17 PolarHBondContact O-N 3.4Å; K17-R85 WeakPolarHBondContact O-CD 3.4Å; K17-Y134 HydrophobicContact CG-CD1 3.83Å; K17-Y134 HydrophobicContact CG-CG 4.45Å; K17-R173 VanDerWaalsContact CE-O 3.26Å; K17-R173 WeakPolarHBondContact CE-O 3.47Å; K17-R173 PolarHBondContact NZ-O 2.98Å; K17-G174 PolarHBondContact NZ-O 2.91Å |
| 18 | C | 84.9 | Confident | 80.5 | Confident | 38 Ų | 38 | 54.1 Ų | 54.1 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -156.8 | 87.3 | -177.3 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | R14 E15 T20 | R14-C18 PolarHBondContact O-N 2.95Å; E15-C18 CarbonylContact O-C 3.53Å; E15-C18 PolarHBondContact O-N 2.83Å; C18-T20 PolarHBondContact O-N 2.84Å |
| 19 | P | 84.9 | Confident | 80.1 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | trans | -59.6 | 140 | -179.6 | -29 | 37.7 | 0 | 0 | 0 | 111.2 | E15 S86 Y88 L89 | E15-P19 VanDerWaalsContact O-CA 3.27Å; E15-P19 WeakPolarHBondContact O-CA 3.3Å; E15-P19 WeakPolarHBondContact O-CD 3.27Å; E15-P19 WeakPolarHBondContact O-CG 3.27Å; P19-S86 PolarHBondContact O-OG 2.9Å; P19-Y88 HydrophobicContact CB-CD1 4.1Å; P19-Y88 HydrophobicContact CB-CE1 4.49Å; P19-L89 HydrophobicContact CB-CD1 4.43Å; P19-L89 HydrophobicContact CB-CD2 4.28Å; P19-L89 HydrophobicContact CB-CG 4.18Å; P19-L89 HydrophobicContact CG-CD1 3.84Å; P19-L89 HydrophobicContact CG-CD2 4.4Å; P19-L89 HydrophobicContact CG-CG 4.14Å | ||
| 20 | T | 83.3 | Confident | 79.8 | Confident | 44 Ų | 44 | 57.1 Ų | 57.1 | 27% | 0.27 | 27% | 0.269 | S | S | . | . | trans | -108.6 | 167.6 | 177.8 | 61.6 | 0 | 0 | 0 | 0 | 110.7 | E15 C18 T22 G25 | E15-T20 VanDerWaalsContact CD-OG1 3.24Å; E15-T20 PolarHBondContact OE1-OG1 2.94Å; E15-T20 PolarHBondContact OE2-N 2.78Å; E15-T20 PolarHBondContact OE2-OG1 3.47Å; C18-T20 PolarHBondContact O-N 2.84Å; T20-T22 PolarHBondContact O-N 2.95Å; T20-T22 WeakPolarHBondContact OG1-CG2 3.23Å; T20-T22 PolarHBondContact OG1-OG1 2.79Å; T20-G25 WeakPolarHBondContact O-CA 3.37Å | ||
| 21 | P | 81.2 | Confident | 79.3 | Confident | 109 Ų | 109 | 57.5 Ų | 57.5 | 71% | 0.708 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -71 | 14.2 | 174.5 | 29.2 | -34.5 | 0 | 0 | 0 | 113.9 | Y88 | P21-Y88 HydrophobicContact CB-CD2 3.81Å; P21-Y88 HydrophobicContact CB-CE2 4.21Å; P21-Y88 HydrophobicContact CB-CG 4.44Å |
| 22 | T | 82 | Confident | 78.6 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -78.8 | 164.1 | 177.9 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | E15 T20 Y24 G25 Y26 | E15-T22 PolarHBondContact OE1-OG1 2.88Å; T20-T22 PolarHBondContact O-N 2.95Å; T20-T22 WeakPolarHBondContact OG1-CG2 3.23Å; T20-T22 PolarHBondContact OG1-OG1 2.79Å; T22-Y24 VanDerWaalsContact C-N 3.27Å; T22-Y24 PolarHBondContact O-N 3.11Å; T22-G25 PolarHBondContact O-N 2.97Å; T22-G25 PolarHBondContact OG1-N 3.49Å; T22-Y26 PolarHBondContact O-N 3.44Å |
| 23 | F | 78.7 | Confident | 77.9 | Confident | 149 Ų | 149 | 55.5 Ų | 55.5 | 65% | 0.654 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -51.5 | -45 | 173.2 | 175.2 | -98.7 | 0 | 0 | 0 | 112.6 | Y26 L27 | F23-Y26 PolarHBondContact O-N 2.84Å; F23-L27 HydrophobicContact CE1-CD2 4.3Å; F23-L27 WeakPolarHBondContact O-CB 3.24Å; F23-L27 PolarHBondContact O-N 3.05Å |
| 24 | Y | 76.9 | Confident | 77.4 | Confident | 89 Ų | 89 | 62 Ų | 62 | 35% | 0.349 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 177.1 | -69.6 | -74.9 | 0 | 0 | 0 | 112.5 | R11 L12 T22 T28 | R11-Y24 HydrophobicContact CG-CD2 4.22Å; R11-Y24 HydrophobicContact CG-CG 4.2Å; L12-Y24 HydrophobicContact CD2-CD1 4.42Å; T22-Y24 VanDerWaalsContact C-N 3.27Å; T22-Y24 PolarHBondContact O-N 3.11Å; Y24-T28 WeakPolarHBondContact O-CB 3.48Å; Y24-T28 PolarHBondContact O-N 3.37Å; Y24-T28 PolarHBondContact O-OG1 3.14Å |
| 25 | G | 80.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | E15 T20 T22 A29 | E15-G25 WeakPolarHBondContact OE2-CA 3.49Å; T20-G25 WeakPolarHBondContact O-CA 3.37Å; T22-G25 PolarHBondContact O-N 2.97Å; T22-G25 PolarHBondContact OG1-N 3.49Å; G25-A29 WeakPolarHBondContact O-CB 3.41Å; G25-A29 PolarHBondContact O-N 2.66Å |
| 26 | Y | 77.4 | Confident | 76.7 | Confident | 111 Ų | 111 | 59.7 Ų | 59.7 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 171.8 | 176 | -90.1 | 0 | 0 | 0 | 112.1 | T22 F23 T28 A29 F30 | T22-Y26 PolarHBondContact O-N 3.44Å; F23-Y26 PolarHBondContact O-N 2.84Å; Y26-T28 PolarHBondContact O-N 3.05Å; Y26-A29 PolarHBondContact O-N 2.77Å; Y26-F30 WeakPolarHBondContact O-CB 3.49Å; Y26-F30 PolarHBondContact O-N 3.01Å |
| 27 | L | 76.1 | Confident | 76.6 | Confident | 60 Ų | 60 | 59.4 Ų | 59.4 | 31% | 0.314 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | -179.6 | -176.2 | 65.6 | 0 | 0 | 0 | 111.5 | F23 F30 L31 | F23-L27 HydrophobicContact CE1-CD2 4.3Å; F23-L27 WeakPolarHBondContact O-CB 3.24Å; F23-L27 PolarHBondContact O-N 3.05Å; L27-F30 PolarHBondContact O-N 3.16Å; L27-L31 HydrophobicContact CD1-CD1 3.55Å; L27-L31 HydrophobicContact CD1-CG 4.02Å; L27-L31 HydrophobicContact CG-CD1 3.88Å; L27-L31 WeakPolarHBondContact O-CB 3.46Å; L27-L31 PolarHBondContact O-N 2.64Å |
| 28 | T | 75.4 | Confident | 76.7 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -51.6 | 174 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | E15 L16 Y24 Y26 F30 L32 | E15-T28 HydrophobicContact CB-CG2 4Å; L16-T28 HydrophobicContact CB-CG2 4.44Å; L16-T28 HydrophobicContact CD2-CG2 3.85Å; L16-T28 HydrophobicContact CG-CG2 3.89Å; Y24-T28 WeakPolarHBondContact O-CB 3.48Å; Y24-T28 PolarHBondContact O-N 3.37Å; Y24-T28 PolarHBondContact O-OG1 3.14Å; Y26-T28 PolarHBondContact O-N 3.05Å; T28-F30 PolarHBondContact O-N 3.32Å; T28-L32 HydrophobicContact CG2-CD1 3.93Å; T28-L32 VanDerWaalsContact O-CB 3.28Å; T28-L32 WeakPolarHBondContact O-CB 3.45Å; T28-L32 PolarHBondContact O-N 3.06Å |
| 29 | A | 72.6 | Confident | 76.7 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G25 Y26 L33 Y88 L89 | G25-A29 WeakPolarHBondContact O-CB 3.41Å; G25-A29 PolarHBondContact O-N 2.66Å; Y26-A29 PolarHBondContact O-N 2.77Å; A29-L33 HydrophobicContact CB-CD1 3.82Å; A29-L33 WeakPolarHBondContact O-CB 3.35Å; A29-L33 WeakPolarHBondContact O-CG 3.42Å; A29-L33 PolarHBondContact O-N 3.07Å; A29-L33 VanDerWaalsContact O-N 3.14Å; A29-Y88 HydrophobicContact CB-CE1 4.32Å; A29-L89 HydrophobicContact CB-CD2 4.1Å |
| 30 | F | 71.6 | Confident | 76.9 | Confident | 102 Ų | 102 | 60.7 Ų | 60.7 | 45% | 0.447 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68 | -52.1 | -177.8 | -178.1 | -98.5 | 0 | 0 | 0 | 113.1 | Y26 L27 T28 R34 | Y26-F30 WeakPolarHBondContact O-CB 3.49Å; Y26-F30 PolarHBondContact O-N 3.01Å; L27-F30 PolarHBondContact O-N 3.16Å; T28-F30 PolarHBondContact O-N 3.32Å; F30-R34 WeakPolarHBondContact O-CB 3.4Å |
| 31 | L | 68.7 | Low | 77.1 | Confident | 109 Ų | 109 | 60.6 Ų | 60.6 | 57% | 0.571 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -73.2 | -38.6 | -174.4 | -70.8 | 176.2 | 0 | 0 | 0 | 112.6 | L27 | L27-L31 HydrophobicContact CD1-CD1 3.55Å; L27-L31 HydrophobicContact CD1-CG 4.02Å; L27-L31 HydrophobicContact CG-CD1 3.88Å; L27-L31 WeakPolarHBondContact O-CB 3.46Å; L27-L31 PolarHBondContact O-N 2.64Å |
| 32 | L | 67.1 | Low | 77.4 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -95.6 | -35.1 | -169.9 | -66 | 156.1 | 0 | 0 | 0 | 112.6 | L16 T28 S36 W165 | L16-L32 HydrophobicContact CD1-CD1 4.21Å; L16-L32 HydrophobicContact CD2-CB 4.11Å; L16-L32 HydrophobicContact CD2-CD1 3.37Å; L16-L32 HydrophobicContact CD2-CG 4.21Å; L16-L32 HydrophobicContact CG-CD1 3.88Å; T28-L32 HydrophobicContact CG2-CD1 3.93Å; T28-L32 VanDerWaalsContact O-CB 3.28Å; T28-L32 WeakPolarHBondContact O-CB 3.45Å; T28-L32 PolarHBondContact O-N 3.06Å; L32-S36 PolarHBondContact O-OG 2.94Å; L32-W165 HydrophobicContact CD2-CH2 4.31Å; L32-W165 HydrophobicContact CD2-CZ3 3.92Å |
| 33 | L | 67.7 | Low | 77.7 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -79.5 | -19.6 | -179.8 | -55 | 170.8 | 0 | 0 | 0 | 112.9 | A29 S36 G37 L62 L89 | A29-L33 HydrophobicContact CB-CD1 3.82Å; A29-L33 WeakPolarHBondContact O-CB 3.35Å; A29-L33 WeakPolarHBondContact O-CG 3.42Å; A29-L33 PolarHBondContact O-N 3.07Å; A29-L33 VanDerWaalsContact O-N 3.14Å; L33-S36 PolarHBondContact O-N 3.5Å; L33-G37 PolarHBondContact O-N 3.01Å; L33-L62 HydrophobicContact CD1-CG 4.27Å; L33-L89 HydrophobicContact CD1-CD1 3.88Å; L33-L89 HydrophobicContact CD1-CD2 3.75Å |
| 34 | R | 70.5 | Confident | 78.3 | Confident | 141 Ų | 141 | 48.7 Ų | 48.7 | 53% | 0.532 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 178.1 | -171.1 | 177.8 | -178.1 | 178.8 | 1.4 | 112.5 | F30 | F30-R34 WeakPolarHBondContact O-CB 3.4Å |
| 35 | R | 71.8 | Confident | 78.8 | Confident | 94 Ų | 94 | 49 Ų | 49 | 36% | 0.355 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -71.6 | -45.2 | 175.7 | -169.8 | 175.1 | -180 | -178.2 | -2.6 | 110.7 | G37 R38 V39 E161 | R35-G37 VanDerWaalsContact C-N 3.27Å; R35-G37 PolarHBondContact O-N 3.31Å; R35-R38 PolarHBondContact O-N 2.84Å; R35-V39 PolarHBondContact O-N 3.4Å; R35-E161 IonicContact CZ-OE1 2.63Å; R35-E161 IonicContact CZ-OE2 3.46Å; R35-E161 IonicContact NH1-OE1 2.67Å; R35-E161 PolarHBondContact NH1-OE1 3.08Å; R35-E161 VanDerWaalsContact NH2-CD 3.3Å; R35-E161 IonicContact NH2-OE1 3.15Å; R35-E161 PolarHBondContact NH2-OE1 3.03Å; R35-E161 IonicContact NH2-OE2 2.69Å; R35-E161 PolarHBondContact NH2-OE2 3.46Å |
| 36 | S | 77.8 | Confident | 79 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -33.9 | 176.9 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | L32 L33 R38 V39 S40 N129 D130 R162 | L32-S36 PolarHBondContact O-OG 2.94Å; L33-S36 PolarHBondContact O-N 3.5Å; S36-R38 PolarHBondContact O-N 2.9Å; S36-V39 PolarHBondContact O-N 3.08Å; S36-S40 WeakPolarHBondContact O-CB 3.43Å; S36-S40 PolarHBondContact O-N 3.4Å; S36-N129 PolarHBondContact O-ND2 3.41Å; S36-D130 PolarHBondContact OG-OD2 3.2Å; S36-R162 PolarHBondContact OG-NH1 2.68Å; S36-R162 VanDerWaalsContact OG-NH1 3.08Å |
| 37 | G | 79.2 | Confident | 79.4 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L33 R35 S40 E41 | L33-G37 PolarHBondContact O-N 3.01Å; R35-G37 VanDerWaalsContact C-N 3.27Å; R35-G37 PolarHBondContact O-N 3.31Å; G37-S40 PolarHBondContact O-N 3.05Å; G37-E41 WeakPolarHBondContact O-CG 3.3Å; G37-E41 PolarHBondContact O-N 3.36Å |
| 38 | R | 82.1 | Confident | 80 | Confident | 115 Ų | 115 | 48.6 Ų | 48.6 | 43% | 0.434 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.2 | -42.6 | 174.9 | -68.8 | -177.1 | -179.1 | 172 | -2.2 | 112.2 | R35 S36 S40 E41 Q42 E205 | R35-R38 PolarHBondContact O-N 2.84Å; S36-R38 PolarHBondContact O-N 2.9Å; R38-S40 VanDerWaalsContact C-N 3.28Å; R38-S40 PolarHBondContact O-N 2.82Å; R38-E41 PolarHBondContact O-N 3.17Å; R38-Q42 VanDerWaalsContact O-CG 3.28Å; R38-Q42 WeakPolarHBondContact O-CG 3.46Å; R38-Q42 PolarHBondContact O-N 3.32Å; R38-E205 WeakPolarHBondContact CD-OE1 3.46Å; R38-E205 IonicContact NH1-OE1 3.4Å; R38-E205 PolarHBondContact NH1-OE1 3.39Å |
| 39 | V | 85.6 | Confident | 80.8 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -41.3 | 175.5 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | R35 S36 Q42 A43 N129 A157 F207 | R35-V39 PolarHBondContact O-N 3.4Å; S36-V39 PolarHBondContact O-N 3.08Å; V39-Q42 PolarHBondContact O-N 3.31Å; V39-A43 VanDerWaalsContact O-CB 3.23Å; V39-A43 WeakPolarHBondContact O-CB 3.44Å; V39-A43 PolarHBondContact O-N 3.35Å; V39-N129 WeakPolarHBondContact CG1-OD1 3.49Å; V39-A157 HydrophobicContact CG1-CB 4.25Å; V39-F207 HydrophobicContact CG1-CB 3.67Å; V39-F207 HydrophobicContact CG1-CD2 4.11Å; V39-F207 HydrophobicContact CG1-CG 3.9Å; V39-F207 HydrophobicContact CG2-CB 4.32Å |
| 40 | S | 88.4 | Confident | 81.8 | Confident | 5 Ų | 5 | 52 Ų | 52 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 176.3 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | S36 G37 R38 Q42 A43 V44 E57 G65 F127 | S36-S40 WeakPolarHBondContact O-CB 3.43Å; S36-S40 PolarHBondContact O-N 3.4Å; G37-S40 PolarHBondContact O-N 3.05Å; R38-S40 VanDerWaalsContact C-N 3.28Å; R38-S40 PolarHBondContact O-N 2.82Å; S40-Q42 PolarHBondContact O-N 2.89Å; S40-A43 PolarHBondContact O-N 3.3Å; S40-V44 WeakPolarHBondContact O-CG2 3.15Å; S40-V44 PolarHBondContact O-N 2.76Å; S40-E57 PolarHBondContact OG-OE1 3.3Å; S40-G65 WeakPolarHBondContact OG-CA 3.35Å; S40-G65 PolarHBondContact OG-N 3.29Å; S40-F127 WeakPolarHBondContact OG-CE1 3.37Å |
| 41 | E | 88.1 | Confident | 82.9 | Confident | 42 Ų | 42 | 50 Ų | 50 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.6 | -46.8 | 176.9 | -69 | 166.4 | -162.9 | 0 | 0 | 112.3 | G37 R38 V44 E45 R64 K68 | G37-E41 WeakPolarHBondContact O-CG 3.3Å; G37-E41 PolarHBondContact O-N 3.36Å; R38-E41 PolarHBondContact O-N 3.17Å; E41-V44 PolarHBondContact O-N 3.23Å; E41-E45 PolarHBondContact O-N 2.63Å; E41-R64 HydrophobicContact CG-CB 4.07Å; E41-R64 WeakPolarHBondContact OE1-CD 3.46Å; E41-R64 WeakPolarHBondContact OE1-CG 3.48Å; E41-R64 IonicContact OE1-CZ 3.9Å; E41-R64 IonicContact OE1-NE 3.44Å; E41-R64 IonicContact OE1-NH1 2.82Å; E41-R64 PolarHBondContact OE1-NH1 3.02Å; E41-R64 IonicContact OE2-NH1 2.8Å; E41-K68 HydrophobicContact CB-CG 4.02Å; E41-K68 HydrophobicContact CG-CG 3.82Å |
| 42 | Q | 88.4 | Confident | 84.2 | Confident | 60 Ų | 60 | 49.6 Ų | 49.6 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.5 | -37.1 | -179.7 | -64.8 | -60.1 | -40.9 | 0 | 0 | 112.5 | R38 V39 S40 E45 F207 | R38-Q42 VanDerWaalsContact O-CG 3.28Å; R38-Q42 WeakPolarHBondContact O-CG 3.46Å; R38-Q42 PolarHBondContact O-N 3.32Å; V39-Q42 PolarHBondContact O-N 3.31Å; S40-Q42 PolarHBondContact O-N 2.89Å; Q42-E45 PolarHBondContact O-N 2.82Å; Q42-F207 HydrophobicContact CB-CE1 3.85Å; Q42-F207 HydrophobicContact CB-CZ 4.05Å |
| 43 | A | 88.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.5 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V39 S40 E45 L46 F127 A157 F207 | V39-A43 VanDerWaalsContact O-CB 3.23Å; V39-A43 WeakPolarHBondContact O-CB 3.44Å; V39-A43 PolarHBondContact O-N 3.35Å; S40-A43 PolarHBondContact O-N 3.3Å; A43-E45 VanDerWaalsContact C-N 3.26Å; A43-E45 PolarHBondContact O-N 2.95Å; A43-L46 WeakPolarHBondContact O-CB 3.48Å; A43-L46 PolarHBondContact O-N 3.48Å; A43-L46 VanDerWaalsContact O-N 3.15Å; A43-F127 HydrophobicContact CB-CE2 3.86Å; A43-F127 HydrophobicContact CB-CZ 4.01Å; A43-A157 HydrophobicContact CB-CB 3.53Å; A43-F207 HydrophobicContact CB-CE2 3.92Å; A43-F207 HydrophobicContact CB-CZ 4.48Å |
| 44 | V | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -37.6 | 175.4 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | S40 E41 L46 L47 K68 L69 K72 F127 | S40-V44 WeakPolarHBondContact O-CG2 3.15Å; S40-V44 PolarHBondContact O-N 2.76Å; E41-V44 PolarHBondContact O-N 3.23Å; V44-L46 PolarHBondContact O-N 2.96Å; V44-L47 WeakPolarHBondContact O-CB 3.43Å; V44-L47 PolarHBondContact O-N 3.01Å; V44-K68 HydrophobicContact CB-CB 4.14Å; V44-K68 HydrophobicContact CG1-CB 3.74Å; V44-L69 HydrophobicContact CG1-CD2 3.71Å; V44-L69 HydrophobicContact CG1-CG 3.87Å; V44-L69 HydrophobicContact CG2-CD1 4.48Å; V44-L69 HydrophobicContact CG2-CD2 4.22Å; V44-L69 HydrophobicContact CG2-CG 3.96Å; V44-K72 HydrophobicContact CG1-CD 4.19Å; V44-K72 VanDerWaalsContact O-CE 3.24Å; V44-K72 WeakPolarHBondContact O-CE 3.43Å; V44-F127 HydrophobicContact CG2-CD1 4Å; V44-F127 HydrophobicContact CG2-CE1 3.69Å; V44-F127 HydrophobicContact CG2-CZ 3.96Å |
| 45 | E | 87.4 | Confident | 88.2 | Confident | 94 Ų | 94 | 44.8 Ų | 44.8 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.6 | -29.6 | 177.7 | -73.6 | -65.6 | -177.2 | 0 | 0 | 114 | E41 Q42 A43 L47 K72 | E41-E45 PolarHBondContact O-N 2.63Å; Q42-E45 PolarHBondContact O-N 2.82Å; A43-E45 VanDerWaalsContact C-N 3.26Å; A43-E45 PolarHBondContact O-N 2.95Å; E45-L47 VanDerWaalsContact C-N 3.26Å; E45-L47 PolarHBondContact O-N 2.9Å; E45-K72 WeakPolarHBondContact OE2-CE 3.48Å; E45-K72 IonicContact OE2-NZ 3.83Å; E45-K72 PolarHBondContact OE2-NZ 2.78Å |
| 46 | L | 84.1 | Confident | 89.4 | Confident | 72 Ų | 72 | 40.3 Ų | 40.3 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -12.7 | 176.3 | -60.6 | 174.3 | 0 | 0 | 0 | 112.9 | A43 V44 H200 F207 | A43-L46 WeakPolarHBondContact O-CB 3.48Å; A43-L46 PolarHBondContact O-N 3.48Å; A43-L46 VanDerWaalsContact O-N 3.15Å; V44-L46 PolarHBondContact O-N 2.96Å; L46-H200 HydrophobicContact CD1-CB 4.13Å; L46-H200 WeakPolarHBondContact CD1-ND1 3.42Å; L46-F207 HydrophobicContact CD1-CE2 3.92Å; L46-F207 HydrophobicContact CD1-CZ 3.59Å |
| 47 | L | 85.9 | Confident | 90.2 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -82.2 | 125.4 | -179.7 | -55.9 | -179.9 | 0 | 0 | 0 | 110.3 | V44 E45 V49 W125 F127 V155 F211 | V44-L47 WeakPolarHBondContact O-CB 3.43Å; V44-L47 PolarHBondContact O-N 3.01Å; E45-L47 VanDerWaalsContact C-N 3.26Å; E45-L47 PolarHBondContact O-N 2.9Å; L47-V49 HydrophobicContact CB-CG2 3.84Å; L47-V49 PolarHBondContact O-N 2.82Å; L47-W125 HydrophobicContact CD2-CZ3 4.49Å; L47-F127 HydrophobicContact CD1-CB 4.3Å; L47-F127 HydrophobicContact CD1-CD2 3.9Å; L47-F127 HydrophobicContact CD1-CG 4.21Å; L47-V155 HydrophobicContact CD2-CB 3.74Å; L47-V155 HydrophobicContact CD2-CG1 3.88Å; L47-V155 HydrophobicContact CD2-CG2 3.4Å; L47-V155 VanDerWaalsContact CD2-CG2 3.4Å; L47-F211 HydrophobicContact CD2-CE1 4.24Å |
| 48 | P | 89.5 | Confident | 90.8 | Very high | 87 Ų | 87 | 39.7 Ų | 39.7 | 57% | 0.565 | 20% | 0.204 | S | C | * | . | trans | -78.6 | 53.2 | 174.5 | 35.1 | -35.7 | 0 | 0 | 0 | 111 | W125 | P48-W125 HydrophobicContact CG-CH2 3.76Å; P48-W125 HydrophobicContact CG-CZ2 3.88Å | ||
| 49 | V | 92.6 | Very high | 91.2 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | trans | -69.7 | 127.8 | 174 | 173.5 | 0 | 0 | 0 | 0 | 108.6 | L47 D53 V55 L69 K72 I73 W125 | L47-V49 HydrophobicContact CB-CG2 3.84Å; L47-V49 PolarHBondContact O-N 2.82Å; V49-D53 WeakPolarHBondContact CA-OD2 3.19Å; V49-D53 HydrophobicContact CG1-CB 4.1Å; V49-V55 HydrophobicContact CG1-CG2 3.67Å; V49-V55 HydrophobicContact CG2-CG2 4.21Å; V49-L69 HydrophobicContact CG2-CD2 4.21Å; V49-K72 HydrophobicContact CB-CD 4.33Å; V49-I73 HydrophobicContact CG1-CG2 3.86Å; V49-W125 HydrophobicContact CG2-CD2 4.38Å; V49-W125 HydrophobicContact CG2-CG 4.2Å | ||
| 50 | T | 93 | Very high | 91.5 | Very high | 62 Ų | 62 | 35.2 Ų | 35.2 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | trans | -88.8 | 157.5 | 176 | 87.6 | 0 | 0 | 0 | 0 | 111.2 | N52 D53 | T50-N52 PolarHBondContact O-N 3.3Å; T50-N52 PolarHBondContact OG1-N 3.47Å; T50-D53 PolarHBondContact N-OD2 3.24Å; T50-D53 PolarHBondContact O-N 2.79Å; T50-D53 VanDerWaalsContact O-N 3.09Å; T50-D53 VanDerWaalsContact OG1-CG 3.26Å; T50-D53 PolarHBondContact OG1-OD1 3.49Å | ||
| 51 | P | 94.6 | Very high | 91.5 | Very high | 59 Ų | 59 | 35.2 Ų | 35.2 | 38% | 0.383 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -10.6 | 176.8 | -26.2 | 35.2 | 0 | 0 | 0 | 115.7 | G76 N77 G78 | P51-G76 CarbonylContact O-C 3.55Å; P51-G76 VanDerWaalsContact O-C 3.3Å; P51-G76 VanDerWaalsContact O-CA 3.22Å; P51-G76 WeakPolarHBondContact O-CA 3.49Å; P51-N77 PolarHBondContact O-N 3.5Å; P51-G78 WeakPolarHBondContact O-CA 3.29Å; P51-G78 PolarHBondContact O-N 3.05Å |
| 52 | N | 95 | Very high | 91.4 | Very high | 101 Ų | 101 | 35.4 Ų | 35.4 | 54% | 0.54 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -1.2 | -179 | -64.4 | -42.2 | 0 | 0 | 0 | 113.7 | T50 N77 | T50-N52 PolarHBondContact O-N 3.3Å; T50-N52 PolarHBondContact OG1-N 3.47Å; N52-N77 PolarHBondContact OD1-N 3.27Å |
| 53 | D | 96.5 | Very high | 91.5 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | trans | -75.8 | 148.2 | -176.8 | -66.7 | -6 | 0 | 0 | 0 | 111.4 | V49 T50 V55 G78 S79 D124 W125 | V49-D53 WeakPolarHBondContact CA-OD2 3.19Å; V49-D53 HydrophobicContact CG1-CB 4.1Å; T50-D53 PolarHBondContact N-OD2 3.24Å; T50-D53 PolarHBondContact O-N 2.79Å; T50-D53 VanDerWaalsContact O-N 3.09Å; T50-D53 VanDerWaalsContact OG1-CG 3.26Å; T50-D53 PolarHBondContact OG1-OD1 3.49Å; D53-V55 HydrophobicContact CB-CG2 4.16Å; D53-G78 WeakPolarHBondContact O-CA 3.47Å; D53-S79 PolarHBondContact O-N 2.74Å; D53-S79 VanDerWaalsContact O-N 3.14Å; D53-D124 HydrophobicContact CB-CB 4.18Å; D53-W125 VanDerWaalsContact OD2-CD1 3.3Å; D53-W125 PolarHBondContact OD2-NE1 2.85Å | ||
| 54 | K | 96.8 | Very high | 91.6 | Very high | 89 Ų | 89 | 37.8 Ų | 37.8 | 39% | 0.387 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120.4 | 163.2 | -69.5 | -166.8 | 175.7 | -175 | 0 | 109.7 | S79 S122 F123 D124 W125 | K54-S79 WeakPolarHBondContact CA-O 3.16Å; K54-S122 WeakPolarHBondContact CD-O 3.45Å; K54-F123 HydrophobicContact CB-CD1 4.13Å; K54-D124 PolarHBondContact N-OD2 3.5Å; K54-D124 PolarHBondContact O-N 3.33Å; K54-W125 PolarHBondContact O-N 2.96Å |
| 55 | V | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.7 | -175 | -170.6 | 0 | 0 | 0 | 0 | 111.1 | V49 D53 L69 S79 V80 Y81 W125 | V49-V55 HydrophobicContact CG1-CG2 3.67Å; V49-V55 HydrophobicContact CG2-CG2 4.21Å; D53-V55 HydrophobicContact CB-CG2 4.16Å; V55-L69 HydrophobicContact CG1-CD1 3.84Å; V55-L69 HydrophobicContact CG1-CD2 3.85Å; V55-L69 HydrophobicContact CG1-CG 4.45Å; V55-S79 PolarHBondContact N-O 3.01Å; V55-V80 CarbonylContact O-C 3.51Å; V55-V80 WeakPolarHBondContact O-CA 3.44Å; V55-Y81 PolarHBondContact O-N 2.64Å; V55-W125 WeakPolarHBondContact CA-O 3.35Å; V55-W125 HydrophobicContact CB-CB 4.33Å; V55-W125 HydrophobicContact CG1-CB 3.82Å; V55-W125 HydrophobicContact CG2-CB 4.07Å |
| 56 | L | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.2 | 174.4 | 172.3 | 60.8 | 0 | 0 | 0 | 110.9 | V58 Y81 T83 L116 F118 F123 W125 I126 F127 V147 | L56-V58 HydrophobicContact CD1-CG2 4.38Å; L56-V58 HydrophobicContact CD2-CG2 3.97Å; L56-V58 HydrophobicContact CG-CG2 3.84Å; L56-Y81 CarbonylContact C-O 3.43Å; L56-Y81 VanDerWaalsContact CA-O 3.31Å; L56-Y81 WeakPolarHBondContact CA-O 3.44Å; L56-T83 HydrophobicContact CD1-CG2 3.99Å; L56-L116 HydrophobicContact CD2-CD1 3.99Å; L56-F118 HydrophobicContact CD1-CE2 3.63Å; L56-F118 HydrophobicContact CD1-CZ 4.1Å; L56-F118 HydrophobicContact CD2-CD2 4.15Å; L56-F118 HydrophobicContact CD2-CE2 4.01Å; L56-F118 HydrophobicContact CG-CE2 4.47Å; L56-F123 HydrophobicContact CB-CD1 3.62Å; L56-F123 HydrophobicContact CB-CD2 4.09Å; L56-F123 HydrophobicContact CB-CE1 3.7Å; L56-F123 HydrophobicContact CB-CE2 4.16Å; L56-F123 HydrophobicContact CB-CG 3.82Å; L56-F123 HydrophobicContact CB-CZ 3.98Å; L56-F123 HydrophobicContact CD1-CZ 4.44Å; L56-F123 HydrophobicContact CD2-CD2 4.14Å; L56-F123 HydrophobicContact CD2-CE2 3.96Å; L56-F123 HydrophobicContact CD2-CZ 4.36Å; L56-F123 HydrophobicContact CG-CZ 4.48Å; L56-W125 PolarHBondContact N-O 3.03Å; L56-I126 HydrophobicContact CB-CG1 4.2Å; L56-I126 HydrophobicContact CD2-CG1 4.3Å; L56-I126 CarbonylContact O-C 3.56Å; L56-I126 WeakPolarHBondContact O-CA 3.31Å; L56-F127 PolarHBondContact O-N 2.87Å; L56-V147 HydrophobicContact CD2-CG2 4Å |
| 57 | E | 95.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.4 | 165 | -171.9 | 174.5 | -164.8 | 0 | 0 | 111.1 | S40 F60 G65 L66 L69 Y81 G82 T83 F127 | S40-E57 PolarHBondContact OG-OE1 3.3Å; E57-F60 HydrophobicContact CG-CB 4.04Å; E57-G65 VanDerWaalsContact OE2-C 3.24Å; E57-G65 WeakPolarHBondContact OE2-CA 3.47Å; E57-L66 HydrophobicContact CB-CD2 3.71Å; E57-L66 WeakPolarHBondContact OE2-CD2 3.46Å; E57-L66 VanDerWaalsContact OE2-CG 3.26Å; E57-L66 WeakPolarHBondContact OE2-CG 3.48Å; E57-L66 PolarHBondContact OE2-N 3.3Å; E57-L69 HydrophobicContact CB-CD1 4.25Å; E57-Y81 PolarHBondContact N-O 3.34Å; E57-G82 CarbonylContact O-C 3.49Å; E57-G82 WeakPolarHBondContact O-CA 3.09Å; E57-T83 PolarHBondContact O-N 3.18Å; E57-F127 CarbonylContact C-O 3.57Å; E57-F127 WeakPolarHBondContact CA-O 3.48Å; E57-F127 HydrophobicContact CB-CD1 4.41Å; E57-F127 HydrophobicContact CG-CD1 3.8Å; E57-F127 HydrophobicContact CG-CE1 4.36Å; E57-F127 WeakPolarHBondContact OE1-CE1 3.36Å |
| 58 | V | 92.9 | Very high | 93 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.8 | 178.3 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | L56 A113 I126 F127 H128 F135 L136 L144 | L56-V58 HydrophobicContact CD1-CG2 4.38Å; L56-V58 HydrophobicContact CD2-CG2 3.97Å; L56-V58 HydrophobicContact CG-CG2 3.84Å; V58-A113 HydrophobicContact CG1-CB 3.66Å; V58-I126 HydrophobicContact CG2-CG2 4.28Å; V58-F127 PolarHBondContact N-O 3.13Å; V58-H128 HydrophobicContact CB-CB 4.14Å; V58-H128 WeakPolarHBondContact O-CB 3.15Å; V58-F135 HydrophobicContact CG1-CE2 4.18Å; V58-L136 HydrophobicContact CG1-CD2 4.16Å; V58-L144 HydrophobicContact CG2-CD2 3.68Å |
| 59 | G | 90.2 | Very high | 93.3 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 12% | 0.124 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 77.1 | 53.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G61 T83 | G59-G61 PolarHBondContact O-N 3.08Å; G59-T83 WeakPolarHBondContact CA-O 3.27Å; G59-T83 PolarHBondContact N-O 2.93Å |
| 60 | F | 90.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 30 Ų | 30 | 4% | 0.044 | 16% | 0.155 | C | C | . | . | trans | -67.2 | -14.1 | -175.8 | 58.6 | -109.8 | 0 | 0 | 0 | 114.5 | E57 L62 G63 L66 G82 T83 E84 A90 A93 I108 | E57-F60 HydrophobicContact CG-CB 4.04Å; F60-L62 PolarHBondContact O-N 3.38Å; F60-L62 VanDerWaalsContact O-N 3.07Å; F60-G63 PolarHBondContact O-N 3.33Å; F60-L66 HydrophobicContact CB-CD1 3.66Å; F60-L66 HydrophobicContact CB-CD2 4.31Å; F60-L66 HydrophobicContact CB-CG 3.72Å; F60-L66 HydrophobicContact CD1-CD1 3.83Å; F60-L66 HydrophobicContact CD2-CD1 3.97Å; F60-L66 HydrophobicContact CE1-CD1 4.42Å; F60-L66 HydrophobicContact CG-CD1 3.56Å; F60-L66 HydrophobicContact CG-CG 4.2Å; F60-G82 VanDerWaalsContact CD1-C 3.49Å; F60-T83 WeakPolarHBondContact CD1-O 3.46Å; F60-T83 VanDerWaalsContact CE1-C 3.44Å; F60-E84 HydrophobicContact CD1-CB 3.84Å; F60-E84 HydrophobicContact CD2-CB 4.11Å; F60-E84 HydrophobicContact CE1-CB 3.34Å; F60-E84 HydrophobicContact CE2-CB 3.58Å; F60-E84 HydrophobicContact CE2-CG 4.05Å; F60-E84 HydrophobicContact CG-CB 4.22Å; F60-E84 HydrophobicContact CZ-CB 3.2Å; F60-E84 HydrophobicContact CZ-CG 4.1Å; F60-A90 HydrophobicContact CZ-CB 4.18Å; F60-A93 HydrophobicContact CD2-CB 3.88Å; F60-A93 HydrophobicContact CE2-CB 3.4Å; F60-A93 HydrophobicContact CZ-CB 4.35Å; F60-I108 HydrophobicContact CE1-CB 3.91Å; F60-I108 HydrophobicContact CE1-CG2 4.06Å; F60-I108 HydrophobicContact CZ-CB 4.01Å; F60-I108 HydrophobicContact CZ-CD1 4.28Å; F60-I108 HydrophobicContact CZ-CG2 4.28Å | ||
| 61 | G | 88.1 | Confident | 93.5 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -111.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G59 E84 | G59-G61 PolarHBondContact O-N 3.08Å; G61-E84 WeakPolarHBondContact CA-OE2 3.49Å; G61-E84 PolarHBondContact N-OE2 2.8Å |
| 62 | L | 86.8 | Confident | 93.5 | Very high | 46 Ų | 46 | 31 Ų | 31 | 24% | 0.241 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -1.5 | 177.1 | -67.1 | 177.2 | 0 | 0 | 0 | 113.8 | L33 F60 L89 R92 L96 | L33-L62 HydrophobicContact CD1-CG 4.27Å; F60-L62 PolarHBondContact O-N 3.38Å; F60-L62 VanDerWaalsContact O-N 3.07Å; L62-L89 HydrophobicContact CD2-CD2 4.2Å; L62-R92 HydrophobicContact CD2-CB 4.12Å; L62-L96 HydrophobicContact CB-CD1 4.42Å; L62-L96 HydrophobicContact CD2-CD1 4.49Å |
| 63 | G | 90.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 87.9 | 18.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | F60 L67 | F60-G63 PolarHBondContact O-N 3.33Å; G63-L67 PolarHBondContact O-N 3.41Å |
| 64 | R | 90.7 | Very high | 93.2 | Very high | 109 Ų | 109 | 29.6 Ų | 29.6 | 41% | 0.411 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 176.1 | -80.1 | 175.9 | 170.3 | -112.9 | -2.1 | 113.2 | E41 K68 | E41-R64 HydrophobicContact CG-CB 4.07Å; E41-R64 WeakPolarHBondContact OE1-CD 3.46Å; E41-R64 WeakPolarHBondContact OE1-CG 3.48Å; E41-R64 IonicContact OE1-CZ 3.9Å; E41-R64 IonicContact OE1-NE 3.44Å; E41-R64 IonicContact OE1-NH1 2.82Å; E41-R64 PolarHBondContact OE1-NH1 3.02Å; E41-R64 IonicContact OE2-NH1 2.8Å; R64-K68 PolarHBondContact O-N 2.9Å |
| 65 | G | 92.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -49.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S40 E57 L67 K68 L69 | S40-G65 WeakPolarHBondContact OG-CA 3.35Å; S40-G65 PolarHBondContact OG-N 3.29Å; E57-G65 VanDerWaalsContact OE2-C 3.24Å; E57-G65 WeakPolarHBondContact OE2-CA 3.47Å; G65-L67 VanDerWaalsContact C-N 3.3Å; G65-L67 PolarHBondContact O-N 3.49Å; G65-K68 PolarHBondContact O-N 2.94Å; G65-K68 VanDerWaalsContact O-N 3.08Å; G65-L69 WeakPolarHBondContact O-CG 3.3Å; G65-L69 PolarHBondContact O-N 3.22Å |
| 66 | L | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -51 | -47 | 174.2 | -66.1 | 178.8 | 0 | 0 | 0 | 112.8 | E57 F60 K68 L69 F70 V80 L97 L106 I108 | E57-L66 HydrophobicContact CB-CD2 3.71Å; E57-L66 WeakPolarHBondContact OE2-CD2 3.46Å; E57-L66 VanDerWaalsContact OE2-CG 3.26Å; E57-L66 WeakPolarHBondContact OE2-CG 3.48Å; E57-L66 PolarHBondContact OE2-N 3.3Å; F60-L66 HydrophobicContact CB-CD1 3.66Å; F60-L66 HydrophobicContact CB-CD2 4.31Å; F60-L66 HydrophobicContact CB-CG 3.72Å; F60-L66 HydrophobicContact CD1-CD1 3.83Å; F60-L66 HydrophobicContact CD2-CD1 3.97Å; F60-L66 HydrophobicContact CE1-CD1 4.42Å; F60-L66 HydrophobicContact CG-CD1 3.56Å; F60-L66 HydrophobicContact CG-CG 4.2Å; L66-K68 PolarHBondContact O-N 2.91Å; L66-L69 PolarHBondContact O-N 3.09Å; L66-F70 VanDerWaalsContact O-CB 3.25Å; L66-F70 WeakPolarHBondContact O-CB 3.47Å; L66-F70 PolarHBondContact O-N 3.07Å; L66-V80 HydrophobicContact CD2-CG1 3.68Å; L66-L97 HydrophobicContact CB-CD1 3.88Å; L66-L97 HydrophobicContact CD1-CD1 3.89Å; L66-L106 HydrophobicContact CB-CD1 4.11Å; L66-L106 HydrophobicContact CD1-CD1 4.32Å; L66-L106 HydrophobicContact CD2-CD1 4.04Å; L66-L106 HydrophobicContact CG-CD1 4.39Å; L66-I108 HydrophobicContact CD1-CG2 3.43Å; L66-I108 VanDerWaalsContact CD1-CG2 3.43Å |
| 67 | L | 94.1 | Very high | 92.3 | Very high | 54 Ų | 54 | 40.9 Ų | 40.9 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 178.6 | -174.7 | 61.5 | 0 | 0 | 0 | 111.5 | G63 G65 F70 E71 L97 E100 | G63-L67 PolarHBondContact O-N 3.41Å; G65-L67 VanDerWaalsContact C-N 3.3Å; G65-L67 PolarHBondContact O-N 3.49Å; L67-F70 WeakPolarHBondContact O-CB 3.49Å; L67-F70 PolarHBondContact O-N 3.03Å; L67-E71 WeakPolarHBondContact O-CG 3.22Å; L67-E71 PolarHBondContact O-N 2.92Å; L67-L97 HydrophobicContact CB-CD2 3.96Å; L67-L97 HydrophobicContact CD1-CD2 4.08Å; L67-L97 HydrophobicContact CG-CD2 4.43Å; L67-E100 HydrophobicContact CD1-CG 3.76Å; L67-E100 WeakPolarHBondContact CD1-OE1 3.39Å |
| 68 | K | 94.2 | Very high | 92.2 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 177.5 | -78.9 | -73 | 162.1 | -161 | 0 | 113.6 | E41 V44 R64 G65 L66 F70 E71 K72 | E41-K68 HydrophobicContact CB-CG 4.02Å; E41-K68 HydrophobicContact CG-CG 3.82Å; V44-K68 HydrophobicContact CB-CB 4.14Å; V44-K68 HydrophobicContact CG1-CB 3.74Å; R64-K68 PolarHBondContact O-N 2.9Å; G65-K68 PolarHBondContact O-N 2.94Å; G65-K68 VanDerWaalsContact O-N 3.08Å; L66-K68 PolarHBondContact O-N 2.91Å; K68-F70 VanDerWaalsContact C-N 3.32Å; K68-E71 WeakPolarHBondContact CD-OE2 3.2Å; K68-E71 WeakPolarHBondContact CE-OE2 3.33Å; K68-E71 IonicContact NZ-OE1 2.82Å; K68-E71 PolarHBondContact NZ-OE1 3.32Å; K68-E71 IonicContact NZ-OE2 3.35Å; K68-E71 PolarHBondContact NZ-OE2 3.49Å; K68-K72 PolarHBondContact O-N 3.29Å |
| 69 | L | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 173.3 | -75.4 | 170 | 0 | 0 | 0 | 110.8 | V44 V49 V55 E57 G65 L66 K72 I73 V80 F127 | V44-L69 HydrophobicContact CG1-CD2 3.71Å; V44-L69 HydrophobicContact CG1-CG 3.87Å; V44-L69 HydrophobicContact CG2-CD1 4.48Å; V44-L69 HydrophobicContact CG2-CD2 4.22Å; V44-L69 HydrophobicContact CG2-CG 3.96Å; V49-L69 HydrophobicContact CG2-CD2 4.21Å; V55-L69 HydrophobicContact CG1-CD1 3.84Å; V55-L69 HydrophobicContact CG1-CD2 3.85Å; V55-L69 HydrophobicContact CG1-CG 4.45Å; E57-L69 HydrophobicContact CB-CD1 4.25Å; G65-L69 WeakPolarHBondContact O-CG 3.3Å; G65-L69 PolarHBondContact O-N 3.22Å; L66-L69 PolarHBondContact O-N 3.09Å; L69-K72 PolarHBondContact O-N 3.26Å; L69-I73 PolarHBondContact O-N 2.78Å; L69-V80 HydrophobicContact CB-CG1 3.89Å; L69-V80 HydrophobicContact CB-CG2 3.88Å; L69-V80 HydrophobicContact CD1-CG1 4.23Å; L69-F127 HydrophobicContact CD1-CD1 4.37Å |
| 70 | F | 95.4 | Very high | 92.7 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 177.1 | 179.2 | -94.5 | 0 | 0 | 0 | 111 | L66 L67 K68 K72 I73 E74 V80 E100 T103 K105 L106 | L66-F70 VanDerWaalsContact O-CB 3.25Å; L66-F70 WeakPolarHBondContact O-CB 3.47Å; L66-F70 PolarHBondContact O-N 3.07Å; L67-F70 WeakPolarHBondContact O-CB 3.49Å; L67-F70 PolarHBondContact O-N 3.03Å; K68-F70 VanDerWaalsContact C-N 3.32Å; F70-K72 PolarHBondContact O-N 3.42Å; F70-K72 VanDerWaalsContact O-N 3.16Å; F70-I73 HydrophobicContact CD2-CD1 4.21Å; F70-I73 PolarHBondContact O-N 2.94Å; F70-E74 HydrophobicContact CD1-CB 4.41Å; F70-E74 HydrophobicContact CE1-CB 4.04Å; F70-E74 HydrophobicContact CE1-CG 3.82Å; F70-E74 HydrophobicContact CZ-CB 4.27Å; F70-E74 HydrophobicContact CZ-CG 3.9Å; F70-E74 WeakPolarHBondContact O-CB 3.09Å; F70-E74 PolarHBondContact O-N 2.87Å; F70-V80 HydrophobicContact CB-CG2 4.44Å; F70-E100 HydrophobicContact CD1-CB 4.21Å; F70-E100 HydrophobicContact CD1-CG 3.77Å; F70-E100 HydrophobicContact CD2-CB 4.34Å; F70-E100 HydrophobicContact CE1-CB 4.2Å; F70-E100 HydrophobicContact CE1-CG 3.85Å; F70-E100 HydrophobicContact CE2-CB 4.3Å; F70-E100 HydrophobicContact CG-CB 4.28Å; F70-E100 HydrophobicContact CG-CG 4.25Å; F70-E100 HydrophobicContact CZ-CB 4.25Å; F70-E100 HydrophobicContact CZ-CG 4.38Å; F70-T103 HydrophobicContact CE2-CG2 4.36Å; F70-T103 VanDerWaalsContact CE2-OG1 3.32Å; F70-T103 WeakPolarHBondContact CE2-OG1 3.28Å; F70-T103 HydrophobicContact CZ-CG2 3.85Å; F70-K105 HydrophobicContact CE2-CB 4Å; F70-L106 HydrophobicContact CD2-CB 3.88Å; F70-L106 HydrophobicContact CE2-CB 4.31Å |
| 71 | E | 94.7 | Very high | 93 | Very high | 89 Ų | 89 | 41.4 Ų | 41.4 | 42% | 0.416 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -53.7 | -35.5 | 175 | -71.6 | 171.6 | -162.4 | 0 | 0 | 112.7 | L67 K68 | L67-E71 WeakPolarHBondContact O-CG 3.22Å; L67-E71 PolarHBondContact O-N 2.92Å; K68-E71 WeakPolarHBondContact CD-OE2 3.2Å; K68-E71 WeakPolarHBondContact CE-OE2 3.33Å; K68-E71 IonicContact NZ-OE1 2.82Å; K68-E71 PolarHBondContact NZ-OE1 3.32Å; K68-E71 IonicContact NZ-OE2 3.35Å; K68-E71 PolarHBondContact NZ-OE2 3.49Å |
| 72 | K | 94.9 | Very high | 93.3 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 23% | 0.226 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.8 | -26.7 | 177.7 | -71.7 | -177.3 | -175.3 | -85.7 | 0 | 113.6 | V44 E45 V49 K68 L69 F70 | V44-K72 HydrophobicContact CG1-CD 4.19Å; V44-K72 VanDerWaalsContact O-CE 3.24Å; V44-K72 WeakPolarHBondContact O-CE 3.43Å; E45-K72 WeakPolarHBondContact OE2-CE 3.48Å; E45-K72 IonicContact OE2-NZ 3.83Å; E45-K72 PolarHBondContact OE2-NZ 2.78Å; V49-K72 HydrophobicContact CB-CD 4.33Å; K68-K72 PolarHBondContact O-N 3.29Å; L69-K72 PolarHBondContact O-N 3.26Å; F70-K72 PolarHBondContact O-N 3.42Å; F70-K72 VanDerWaalsContact O-N 3.16Å |
| 73 | I | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -107.4 | -12.2 | -176.2 | 69.5 | 71.5 | 0 | 0 | 0 | 115.1 | V49 L69 F70 L75 G76 V80 K105 | V49-I73 HydrophobicContact CG1-CG2 3.86Å; L69-I73 PolarHBondContact O-N 2.78Å; F70-I73 HydrophobicContact CD2-CD1 4.21Å; F70-I73 PolarHBondContact O-N 2.94Å; I73-L75 PolarHBondContact O-N 3.49Å; I73-L75 VanDerWaalsContact O-N 3.08Å; I73-G76 PolarHBondContact O-N 2.89Å; I73-V80 HydrophobicContact CD1-CG2 4.02Å; I73-V80 HydrophobicContact CG1-CG2 3.45Å; I73-V80 VanDerWaalsContact CG1-CG2 3.45Å; I73-K105 HydrophobicContact CD1-CB 3.98Å; I73-K105 HydrophobicContact CD1-CD 4.17Å |
| 74 | E | 91.1 | Very high | 93.6 | Very high | 94 Ų | 94 | 39.4 Ų | 39.4 | 44% | 0.439 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -36 | -170.6 | -176.3 | 176.9 | -159.8 | 0 | 0 | 112.8 | F70 K105 | F70-E74 HydrophobicContact CD1-CB 4.41Å; F70-E74 HydrophobicContact CE1-CB 4.04Å; F70-E74 HydrophobicContact CE1-CG 3.82Å; F70-E74 HydrophobicContact CZ-CB 4.27Å; F70-E74 HydrophobicContact CZ-CG 3.9Å; F70-E74 WeakPolarHBondContact O-CB 3.09Å; F70-E74 PolarHBondContact O-N 2.87Å; E74-K105 PolarHBondContact O-NZ 2.85Å |
| 75 | L | 90.1 | Very high | 93.4 | Very high | 168 Ų | 168 | 38.1 Ų | 38.1 | 88% | 0.88 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -4.1 | -178.9 | -61.1 | 179.6 | 0 | 0 | 0 | 114.8 | I73 | I73-L75 PolarHBondContact O-N 3.49Å; I73-L75 VanDerWaalsContact O-N 3.08Å |
| 76 | G | 91.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -119 | -164.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P51 I73 K105 | P51-G76 CarbonylContact O-C 3.55Å; P51-G76 VanDerWaalsContact O-C 3.3Å; P51-G76 VanDerWaalsContact O-CA 3.22Å; P51-G76 WeakPolarHBondContact O-CA 3.49Å; I73-G76 PolarHBondContact O-N 2.89Å; G76-K105 PolarHBondContact O-NZ 3.36Å |
| 77 | N | 89.8 | Confident | 92.6 | Very high | 149 Ų | 149 | 43 Ų | 43 | 80% | 0.797 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -94.1 | 6.3 | -179.3 | -66.4 | -28.5 | 0 | 0 | 0 | 113.6 | P51 N52 | P51-N77 PolarHBondContact O-N 3.5Å; N52-N77 PolarHBondContact OD1-N 3.27Å |
| 78 | G | 93.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | trans | -68.2 | 172.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | P51 D53 | P51-G78 WeakPolarHBondContact O-CA 3.29Å; P51-G78 PolarHBondContact O-N 3.05Å; D53-G78 WeakPolarHBondContact O-CA 3.47Å | ||
| 79 | S | 96.1 | Very high | 91.9 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 146.5 | 174.6 | 35.9 | 0 | 0 | 0 | 0 | 111.1 | D53 K54 V55 Y81 K105 | D53-S79 PolarHBondContact O-N 2.74Å; D53-S79 VanDerWaalsContact O-N 3.14Å; K54-S79 WeakPolarHBondContact CA-O 3.16Å; V55-S79 PolarHBondContact N-O 3.01Å; S79-Y81 VanDerWaalsContact CB-CE2 3.48Å; S79-Y81 VanDerWaalsContact OG-CE2 3.25Å; S79-Y81 WeakPolarHBondContact OG-CE2 3.19Å; S79-Y81 PolarHBondContact OG-OH 3.39Å; S79-K105 CarbonylContact C-O 3.53Å; S79-K105 VanDerWaalsContact CA-O 3.27Å; S79-K105 WeakPolarHBondContact CA-O 3.35Å; S79-K105 WeakPolarHBondContact CB-O 3.47Å |
| 80 | V | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.2 | 178.6 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | V55 L66 L69 F70 I73 K105 L106 E107 | V55-V80 CarbonylContact O-C 3.51Å; V55-V80 WeakPolarHBondContact O-CA 3.44Å; L66-V80 HydrophobicContact CD2-CG1 3.68Å; L69-V80 HydrophobicContact CB-CG1 3.89Å; L69-V80 HydrophobicContact CB-CG2 3.88Å; L69-V80 HydrophobicContact CD1-CG1 4.23Å; F70-V80 HydrophobicContact CB-CG2 4.44Å; I73-V80 HydrophobicContact CD1-CG2 4.02Å; I73-V80 HydrophobicContact CG1-CG2 3.45Å; I73-V80 VanDerWaalsContact CG1-CG2 3.45Å; V80-K105 PolarHBondContact N-O 3.31Å; V80-L106 HydrophobicContact CB-CD1 3.75Å; V80-L106 HydrophobicContact CG1-CD1 3.72Å; V80-L106 CarbonylContact O-C 3.52Å; V80-L106 VanDerWaalsContact O-CA 3.3Å; V80-L106 WeakPolarHBondContact O-CA 3.44Å; V80-E107 PolarHBondContact O-N 3.42Å |
| 81 | Y | 96.4 | Very high | 91.1 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 9% | 0.09 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.7 | 176.8 | -61.5 | -105.1 | 0 | 0 | 0 | 108.4 | V55 L56 E57 S79 E107 F109 F118 F123 | V55-Y81 PolarHBondContact O-N 2.64Å; L56-Y81 CarbonylContact C-O 3.43Å; L56-Y81 VanDerWaalsContact CA-O 3.31Å; L56-Y81 WeakPolarHBondContact CA-O 3.44Å; E57-Y81 PolarHBondContact N-O 3.34Å; S79-Y81 VanDerWaalsContact CB-CE2 3.48Å; S79-Y81 VanDerWaalsContact OG-CE2 3.25Å; S79-Y81 WeakPolarHBondContact OG-CE2 3.19Å; S79-Y81 PolarHBondContact OG-OH 3.39Å; Y81-E107 CarbonylContact C-O 3.52Å; Y81-E107 VanDerWaalsContact CA-O 3.25Å; Y81-E107 WeakPolarHBondContact CA-O 3.35Å; Y81-E107 HydrophobicContact CD1-CB 4.03Å; Y81-E107 HydrophobicContact CE1-CB 4.23Å; Y81-E107 HydrophobicContact CE1-CG 4.48Å; Y81-F109 AromaticContact CD1-CE2 3.91Å; Y81-F109 HydrophobicContact CD1-CE2 3.91Å; Y81-F118 AromaticContact CD1-CE1 3.74Å; Y81-F118 HydrophobicContact CD1-CE1 3.74Å; Y81-F118 HydrophobicContact CD1-CZ 4.31Å; Y81-F118 HydrophobicContact CG-CE1 4.31Å; Y81-F123 HydrophobicContact CD2-CD1 4.44Å; Y81-F123 AromaticContact CD2-CE1 3.42Å; Y81-F123 HydrophobicContact CD2-CE1 3.42Å; Y81-F123 VanDerWaalsContact CD2-CE1 3.42Å; Y81-F123 HydrophobicContact CD2-CZ 4.11Å; Y81-F123 HydrophobicContact CE2-CE1 4.11Å; Y81-F123 AromaticContact CG-CE1 3.69Å; Y81-F123 HydrophobicContact CG-CE1 3.69Å; Y81-F123 AromaticContact CG-CZ 3.95Å; Y81-F123 HydrophobicContact CG-CZ 3.95Å |
| 82 | G | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E57 F60 E107 I108 F109 | E57-G82 CarbonylContact O-C 3.49Å; E57-G82 WeakPolarHBondContact O-CA 3.09Å; F60-G82 VanDerWaalsContact CD1-C 3.49Å; G82-E107 PolarHBondContact N-O 3.43Å; G82-I108 CarbonylContact O-C 3.58Å; G82-I108 VanDerWaalsContact O-CA 3.32Å; G82-I108 WeakPolarHBondContact O-CA 3.5Å; G82-F109 PolarHBondContact O-N 3.09Å |
| 83 | T | 93 | Very high | 90.5 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.8 | 166.5 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | L56 E57 G59 F60 F109 T111 L116 F118 | L56-T83 HydrophobicContact CD1-CG2 3.99Å; E57-T83 PolarHBondContact O-N 3.18Å; G59-T83 WeakPolarHBondContact CA-O 3.27Å; G59-T83 PolarHBondContact N-O 2.93Å; F60-T83 WeakPolarHBondContact CD1-O 3.46Å; F60-T83 VanDerWaalsContact CE1-C 3.44Å; T83-F109 WeakPolarHBondContact CA-O 3.25Å; T83-F109 HydrophobicContact CG2-CB 4.24Å; T83-T111 HydrophobicContact CG2-CG2 3.57Å; T83-L116 HydrophobicContact CG2-CD2 3.75Å; T83-F118 HydrophobicContact CG2-CE2 3.72Å; T83-F118 HydrophobicContact CG2-CZ 4.01Å |
| 84 | E | 91.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 134.2 | 176.9 | 177 | 53 | -109.1 | 0 | 0 | 110.2 | F60 G61 S86 L89 A90 F109 Y110 T111 | F60-E84 HydrophobicContact CD1-CB 3.84Å; F60-E84 HydrophobicContact CD2-CB 4.11Å; F60-E84 HydrophobicContact CE1-CB 3.34Å; F60-E84 HydrophobicContact CE2-CB 3.58Å; F60-E84 HydrophobicContact CE2-CG 4.05Å; F60-E84 HydrophobicContact CG-CB 4.22Å; F60-E84 HydrophobicContact CZ-CB 3.2Å; F60-E84 HydrophobicContact CZ-CG 4.1Å; G61-E84 WeakPolarHBondContact CA-OE2 3.49Å; G61-E84 PolarHBondContact N-OE2 2.8Å; E84-S86 WeakPolarHBondContact CG-O 3.45Å; E84-S86 PolarHBondContact OE1-N 3.17Å; E84-L89 HydrophobicContact CG-CB 3.89Å; E84-A90 HydrophobicContact CB-CB 4.27Å; E84-A90 HydrophobicContact CG-CB 4.31Å; E84-F109 PolarHBondContact N-O 3.21Å; E84-Y110 CarbonylContact O-C 3.49Å; E84-Y110 WeakPolarHBondContact O-CA 3.19Å; E84-Y110 WeakPolarHBondContact O-CD2 3.21Å; E84-T111 CarbonylContact C-O 3.51Å; E84-T111 PolarHBondContact O-N 3.28Å |
| 85 | R | 87.2 | Confident | 89.9 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 31% | 0.313 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -88.5 | -14.3 | -177.8 | 66.6 | 165.8 | -65.9 | 169.7 | 5.9 | 113.4 | K17 Y110 F135 | K17-R85 WeakPolarHBondContact O-CD 3.4Å; R85-Y110 VanDerWaalsContact O-CE2 3.26Å; R85-Y110 WeakPolarHBondContact O-CE2 3.32Å; R85-F135 VanDerWaalsContact CD-CD1 3.45Å; R85-F135 HydrophobicContact CG-CD1 4.26Å; R85-F135 HydrophobicContact CG-CE1 4.28Å |
| 86 | S | 86.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -93 | 112.6 | 173.5 | 167.7 | 0 | 0 | 0 | 0 | 109.6 | P19 E84 Y88 L89 A90 | P19-S86 PolarHBondContact O-OG 2.9Å; E84-S86 WeakPolarHBondContact CG-O 3.45Å; E84-S86 PolarHBondContact OE1-N 3.17Å; S86-Y88 PolarHBondContact O-N 3.39Å; S86-L89 PolarHBondContact O-N 2.86Å; S86-L89 WeakPolarHBondContact OG-CG 3.39Å; S86-L89 PolarHBondContact OG-N 3.01Å; S86-L89 VanDerWaalsContact OG-N 3.11Å; S86-A90 WeakPolarHBondContact O-CB 3.39Å; S86-A90 PolarHBondContact O-N 2.91Å | ||
| 87 | E | 84.4 | Confident | 89.9 | Confident | 104 Ų | 104 | 46.4 Ų | 46.4 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.2 | -40.6 | 177 | -167.6 | -173.5 | 169.3 | 0 | 0 | 110.6 | L89 A90 Q91 Y110 | E87-L89 PolarHBondContact O-N 2.75Å; E87-A90 PolarHBondContact O-N 3.46Å; E87-Q91 HydrophobicContact CG-CG 4.49Å; E87-Q91 WeakPolarHBondContact O-CB 3.45Å; E87-Q91 VanDerWaalsContact O-CG 3.23Å; E87-Q91 WeakPolarHBondContact O-CG 3.29Å; E87-Q91 PolarHBondContact O-N 3.29Å; E87-Q91 PolarHBondContact OE1-NE2 2.79Å; E87-Q91 VanDerWaalsContact OE1-NE2 3.09Å; E87-Y110 VanDerWaalsContact CA-CE2 3.48Å; E87-Y110 HydrophobicContact CB-CD2 3.95Å; E87-Y110 HydrophobicContact CB-CE1 4.35Å; E87-Y110 HydrophobicContact CB-CE2 3.57Å; E87-Y110 HydrophobicContact CB-CG 4.48Å; E87-Y110 HydrophobicContact CG-CD1 4.5Å; E87-Y110 HydrophobicContact CG-CD2 4.44Å; E87-Y110 HydrophobicContact CG-CE1 4.43Å; E87-Y110 HydrophobicContact CG-CE2 4.36Å |
| 88 | Y | 84.3 | Confident | 89.7 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 11% | 0.114 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 177.3 | 168.3 | -110.6 | 0 | 0 | 0 | 112.8 | P19 P21 A29 S86 R92 | P19-Y88 HydrophobicContact CB-CD1 4.1Å; P19-Y88 HydrophobicContact CB-CE1 4.49Å; P21-Y88 HydrophobicContact CB-CD2 3.81Å; P21-Y88 HydrophobicContact CB-CE2 4.21Å; P21-Y88 HydrophobicContact CB-CG 4.44Å; A29-Y88 HydrophobicContact CB-CE1 4.32Å; S86-Y88 PolarHBondContact O-N 3.39Å; Y88-R92 HydrophobicContact CE2-CG 4.21Å; Y88-R92 WeakPolarHBondContact O-CG 3.41Å; Y88-R92 PolarHBondContact O-N 3.23Å; Y88-R92 VanDerWaalsContact O-N 3.14Å; Y88-R92 PolarHBondContact OH-NH1 2.76Å |
| 89 | L | 88.4 | Confident | 89.5 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.4 | -42.6 | 176.8 | -67.3 | -173.3 | 0 | 0 | 0 | 111.6 | P19 A29 L33 L62 E84 S86 E87 Q91 R92 A93 | P19-L89 HydrophobicContact CB-CD1 4.43Å; P19-L89 HydrophobicContact CB-CD2 4.28Å; P19-L89 HydrophobicContact CB-CG 4.18Å; P19-L89 HydrophobicContact CG-CD1 3.84Å; P19-L89 HydrophobicContact CG-CD2 4.4Å; P19-L89 HydrophobicContact CG-CG 4.14Å; A29-L89 HydrophobicContact CB-CD2 4.1Å; L33-L89 HydrophobicContact CD1-CD1 3.88Å; L33-L89 HydrophobicContact CD1-CD2 3.75Å; L62-L89 HydrophobicContact CD2-CD2 4.2Å; E84-L89 HydrophobicContact CG-CB 3.89Å; S86-L89 PolarHBondContact O-N 2.86Å; S86-L89 WeakPolarHBondContact OG-CG 3.39Å; S86-L89 PolarHBondContact OG-N 3.01Å; S86-L89 VanDerWaalsContact OG-N 3.11Å; E87-L89 PolarHBondContact O-N 2.75Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 3.43Å; L89-R92 PolarHBondContact O-N 3.41Å; L89-R92 VanDerWaalsContact O-N 3.07Å; L89-A93 PolarHBondContact O-N 3.35Å |
| 90 | A | 88.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.4 | -46 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F60 E84 S86 E87 R92 A93 N94 | F60-A90 HydrophobicContact CZ-CB 4.18Å; E84-A90 HydrophobicContact CB-CB 4.27Å; E84-A90 HydrophobicContact CG-CB 4.31Å; S86-A90 WeakPolarHBondContact O-CB 3.39Å; S86-A90 PolarHBondContact O-N 2.91Å; E87-A90 PolarHBondContact O-N 3.46Å; A90-R92 VanDerWaalsContact C-N 3.34Å; A90-R92 PolarHBondContact O-N 2.75Å; A90-A93 PolarHBondContact O-N 3.18Å; A90-N94 WeakPolarHBondContact O-CB 3.4Å; A90-N94 PolarHBondContact O-N 2.67Å |
| 91 | Q | 85.7 | Confident | 88.9 | Confident | 99 Ų | 99 | 51.3 Ų | 51.3 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.6 | -37.4 | 175.6 | -73.6 | 175.6 | 6.4 | 0 | 0 | 112.7 | E87 L89 K95 | E87-Q91 HydrophobicContact CG-CG 4.49Å; E87-Q91 WeakPolarHBondContact O-CB 3.45Å; E87-Q91 VanDerWaalsContact O-CG 3.23Å; E87-Q91 WeakPolarHBondContact O-CG 3.29Å; E87-Q91 PolarHBondContact O-N 3.29Å; E87-Q91 PolarHBondContact OE1-NE2 2.79Å; E87-Q91 VanDerWaalsContact OE1-NE2 3.09Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 3.43Å; Q91-K95 WeakPolarHBondContact O-CG 3.18Å; Q91-K95 PolarHBondContact O-N 2.78Å |
| 92 | R | 87.1 | Confident | 88.1 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.8 | -43.5 | 177.6 | -73.8 | -169.4 | 73 | 151 | 3.9 | 112.2 | L62 Y88 L89 A90 N94 K95 L96 | L62-R92 HydrophobicContact CD2-CB 4.12Å; Y88-R92 HydrophobicContact CE2-CG 4.21Å; Y88-R92 WeakPolarHBondContact O-CG 3.41Å; Y88-R92 PolarHBondContact O-N 3.23Å; Y88-R92 VanDerWaalsContact O-N 3.14Å; Y88-R92 PolarHBondContact OH-NH1 2.76Å; L89-R92 PolarHBondContact O-N 3.41Å; L89-R92 VanDerWaalsContact O-N 3.07Å; A90-R92 VanDerWaalsContact C-N 3.34Å; A90-R92 PolarHBondContact O-N 2.75Å; R92-N94 VanDerWaalsContact C-N 3.29Å; R92-N94 PolarHBondContact O-N 3.07Å; R92-K95 PolarHBondContact O-N 3.38Å; R92-L96 WeakPolarHBondContact O-CG 3.32Å; R92-L96 PolarHBondContact O-N 2.93Å |
| 93 | A | 90 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F60 L89 A90 K95 L96 L97 I108 | F60-A93 HydrophobicContact CD2-CB 3.88Å; F60-A93 HydrophobicContact CE2-CB 3.4Å; F60-A93 HydrophobicContact CZ-CB 4.35Å; L89-A93 PolarHBondContact O-N 3.35Å; A90-A93 PolarHBondContact O-N 3.18Å; A93-K95 VanDerWaalsContact C-N 3.26Å; A93-K95 PolarHBondContact O-N 3.33Å; A93-L96 PolarHBondContact O-N 3.21Å; A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 PolarHBondContact O-N 2.58Å; A93-I108 HydrophobicContact CB-CD1 4.4Å |
| 94 | N | 87.8 | Confident | 87.2 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 41% | 0.406 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.2 | -41.8 | 175.2 | -168.1 | -90.3 | 0 | 0 | 0 | 112.5 | A90 R92 A98 L101 I108 | A90-N94 WeakPolarHBondContact O-CB 3.4Å; A90-N94 PolarHBondContact O-N 2.67Å; R92-N94 VanDerWaalsContact C-N 3.29Å; R92-N94 PolarHBondContact O-N 3.07Å; N94-A98 PolarHBondContact O-N 3.49Å; N94-L101 HydrophobicContact CB-CD1 4.42Å; N94-I108 HydrophobicContact CB-CD1 3.84Å |
| 95 | K | 85.7 | Confident | 87.1 | Confident | 165 Ų | 165 | 61.9 Ų | 61.9 | 72% | 0.717 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.9 | -38.6 | 175.5 | -69.9 | 177.7 | -178.9 | -178.2 | 0 | 113 | Q91 R92 A93 | Q91-K95 WeakPolarHBondContact O-CG 3.18Å; Q91-K95 PolarHBondContact O-N 2.78Å; R92-K95 PolarHBondContact O-N 3.38Å; A93-K95 VanDerWaalsContact C-N 3.26Å; A93-K95 PolarHBondContact O-N 3.33Å |
| 96 | L | 89.8 | Confident | 87.5 | Confident | 111 Ų | 111 | 58 Ų | 58 | 58% | 0.581 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -74 | -33.2 | -177.5 | -71.7 | 172 | 0 | 0 | 0 | 112.7 | L62 R92 A93 | L62-L96 HydrophobicContact CB-CD1 4.42Å; L62-L96 HydrophobicContact CD2-CD1 4.49Å; R92-L96 WeakPolarHBondContact O-CG 3.32Å; R92-L96 PolarHBondContact O-N 2.93Å; A93-L96 PolarHBondContact O-N 3.21Å |
| 97 | L | 92 | Very high | 87.8 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 23.6 | -175.3 | -57.7 | 177.6 | 0 | 0 | 0 | 112.4 | L66 L67 A93 L99 E100 L101 L106 | L66-L97 HydrophobicContact CB-CD1 3.88Å; L66-L97 HydrophobicContact CD1-CD1 3.89Å; L67-L97 HydrophobicContact CB-CD2 3.96Å; L67-L97 HydrophobicContact CD1-CD2 4.08Å; L67-L97 HydrophobicContact CG-CD2 4.43Å; A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 PolarHBondContact O-N 2.58Å; L97-L99 PolarHBondContact O-N 2.9Å; L97-E100 WeakPolarHBondContact CA-OE2 3.26Å; L97-E100 PolarHBondContact O-N 2.81Å; L97-L101 HydrophobicContact CB-CD1 4.3Å; L97-L101 HydrophobicContact CB-CG 4.36Å; L97-L101 WeakPolarHBondContact O-CB 3.45Å; L97-L101 WeakPolarHBondContact O-CD1 3.45Å; L97-L101 WeakPolarHBondContact O-CG 3.3Å; L97-L101 PolarHBondContact O-N 2.95Å; L97-L106 HydrophobicContact CB-CD2 4.09Å; L97-L106 HydrophobicContact CD1-CD2 3.94Å |
| 98 | A | 85.4 | Confident | 88.2 | Confident | 52 Ų | 52 | 56.5 Ų | 56.5 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -32.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N94 A102 | N94-A98 PolarHBondContact O-N 3.49Å; A98-A102 WeakPolarHBondContact O-CB 3.01Å; A98-A102 PolarHBondContact O-N 3.43Å |
| 99 | L | 88.9 | Confident | 88.3 | Confident | 141 Ų | 141 | 56 Ų | 56 | 74% | 0.738 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -73.6 | -44 | 178.9 | -65.2 | 176.7 | 0 | 0 | 0 | 111.2 | L97 A102 | L97-L99 PolarHBondContact O-N 2.9Å; L99-A102 WeakPolarHBondContact O-CB 2.9Å; L99-A102 PolarHBondContact O-N 3.2Å |
| 100 | E | 93.3 | Very high | 88.2 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68 | -41.8 | 179.5 | -62.7 | 74.8 | -167.4 | 0 | 0 | 110.7 | L67 F70 L97 A102 T103 L106 | L67-E100 HydrophobicContact CD1-CG 3.76Å; L67-E100 WeakPolarHBondContact CD1-OE1 3.39Å; F70-E100 HydrophobicContact CD1-CB 4.21Å; F70-E100 HydrophobicContact CD1-CG 3.77Å; F70-E100 HydrophobicContact CD2-CB 4.34Å; F70-E100 HydrophobicContact CE1-CB 4.2Å; F70-E100 HydrophobicContact CE1-CG 3.85Å; F70-E100 HydrophobicContact CE2-CB 4.3Å; F70-E100 HydrophobicContact CG-CB 4.28Å; F70-E100 HydrophobicContact CG-CG 4.25Å; F70-E100 HydrophobicContact CZ-CB 4.25Å; F70-E100 HydrophobicContact CZ-CG 4.38Å; L97-E100 WeakPolarHBondContact CA-OE2 3.26Å; L97-E100 PolarHBondContact O-N 2.81Å; E100-A102 VanDerWaalsContact C-N 3.27Å; E100-A102 PolarHBondContact O-N 2.87Å; E100-T103 WeakPolarHBondContact O-CB 3.4Å; E100-T103 WeakPolarHBondContact O-CG2 3.33Å; E100-T103 PolarHBondContact O-N 3.08Å; E100-T103 VanDerWaalsContact O-N 3.13Å; E100-T103 PolarHBondContact O-OG1 3.46Å; E100-L106 HydrophobicContact CB-CD2 3.7Å |
| 101 | L | 86.5 | Confident | 87.7 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.3 | -37 | 173.9 | -72.9 | 166.2 | 0 | 0 | 0 | 111.9 | N94 L97 T103 G104 L106 I108 | N94-L101 HydrophobicContact CB-CD1 4.42Å; L97-L101 HydrophobicContact CB-CD1 4.3Å; L97-L101 HydrophobicContact CB-CG 4.36Å; L97-L101 WeakPolarHBondContact O-CB 3.45Å; L97-L101 WeakPolarHBondContact O-CD1 3.45Å; L97-L101 WeakPolarHBondContact O-CG 3.3Å; L97-L101 PolarHBondContact O-N 2.95Å; L101-T103 PolarHBondContact O-N 3.2Å; L101-T103 VanDerWaalsContact O-N 3.17Å; L101-G104 PolarHBondContact O-N 2.89Å; L101-G104 VanDerWaalsContact O-N 3.15Å; L101-L106 HydrophobicContact CD2-CD2 4.21Å; L101-L106 HydrophobicContact CD2-CG 3.92Å; L101-L106 WeakPolarHBondContact CD2-O 3.48Å; L101-L106 HydrophobicContact CG-CD2 4.22Å; L101-L106 HydrophobicContact CG-CG 4.42Å; L101-I108 HydrophobicContact CD1-CD1 4Å; L101-I108 HydrophobicContact CD1-CG1 4.36Å; L101-I108 HydrophobicContact CD2-CB 4.49Å; L101-I108 HydrophobicContact CD2-CD1 4.33Å; L101-I108 HydrophobicContact CD2-CG1 3.9Å; L101-I108 HydrophobicContact CD2-CG2 4.2Å |
| 102 | A | 79.9 | Confident | 87.5 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A98 L99 E100 G104 | A98-A102 WeakPolarHBondContact O-CB 3.01Å; A98-A102 PolarHBondContact O-N 3.43Å; L99-A102 WeakPolarHBondContact O-CB 2.9Å; L99-A102 PolarHBondContact O-N 3.2Å; E100-A102 VanDerWaalsContact C-N 3.27Å; E100-A102 PolarHBondContact O-N 2.87Å; A102-G104 VanDerWaalsContact C-N 3.29Å; A102-G104 PolarHBondContact O-N 3.17Å |
| 103 | T | 85.5 | Confident | 87.2 | Confident | 71 Ų | 71 | 54 Ų | 54 | 44% | 0.436 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.7 | 176 | 72.7 | 0 | 0 | 0 | 0 | 113.7 | F70 E100 L101 K105 | F70-T103 HydrophobicContact CE2-CG2 4.36Å; F70-T103 VanDerWaalsContact CE2-OG1 3.32Å; F70-T103 WeakPolarHBondContact CE2-OG1 3.28Å; F70-T103 HydrophobicContact CZ-CG2 3.85Å; E100-T103 WeakPolarHBondContact O-CB 3.4Å; E100-T103 WeakPolarHBondContact O-CG2 3.33Å; E100-T103 PolarHBondContact O-N 3.08Å; E100-T103 VanDerWaalsContact O-N 3.13Å; E100-T103 PolarHBondContact O-OG1 3.46Å; L101-T103 PolarHBondContact O-N 3.2Å; L101-T103 VanDerWaalsContact O-N 3.17Å; T103-K105 PolarHBondContact O-N 3.19Å; T103-K105 PolarHBondContact OG1-N 3.19Å |
| 104 | G | 83 | Confident | 86.7 | Confident | 34 Ų | 34 | 57.2 Ų | 57.2 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 70.7 | -0.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | L101 A102 | L101-G104 PolarHBondContact O-N 2.89Å; L101-G104 VanDerWaalsContact O-N 3.15Å; A102-G104 VanDerWaalsContact C-N 3.29Å; A102-G104 PolarHBondContact O-N 3.17Å |
| 105 | K | 90.2 | Very high | 86 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -89.6 | -16.4 | 171.5 | -66.5 | -170.7 | -176.8 | -175.7 | 0 | 113 | F70 I73 E74 G76 S79 V80 T103 | F70-K105 HydrophobicContact CE2-CB 4Å; I73-K105 HydrophobicContact CD1-CB 3.98Å; I73-K105 HydrophobicContact CD1-CD 4.17Å; E74-K105 PolarHBondContact O-NZ 2.85Å; G76-K105 PolarHBondContact O-NZ 3.36Å; S79-K105 CarbonylContact C-O 3.53Å; S79-K105 VanDerWaalsContact CA-O 3.27Å; S79-K105 WeakPolarHBondContact CA-O 3.35Å; S79-K105 WeakPolarHBondContact CB-O 3.47Å; V80-K105 PolarHBondContact N-O 3.31Å; T103-K105 PolarHBondContact O-N 3.19Å; T103-K105 PolarHBondContact OG1-N 3.19Å |
| 106 | L | 94.3 | Very high | 86 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.4 | 169.8 | 174.8 | 64.5 | 0 | 0 | 0 | 108.8 | L66 F70 V80 L97 E100 L101 I108 | L66-L106 HydrophobicContact CB-CD1 4.11Å; L66-L106 HydrophobicContact CD1-CD1 4.32Å; L66-L106 HydrophobicContact CD2-CD1 4.04Å; L66-L106 HydrophobicContact CG-CD1 4.39Å; F70-L106 HydrophobicContact CD2-CB 3.88Å; F70-L106 HydrophobicContact CE2-CB 4.31Å; V80-L106 HydrophobicContact CB-CD1 3.75Å; V80-L106 HydrophobicContact CG1-CD1 3.72Å; V80-L106 CarbonylContact O-C 3.52Å; V80-L106 VanDerWaalsContact O-CA 3.3Å; V80-L106 WeakPolarHBondContact O-CA 3.44Å; L97-L106 HydrophobicContact CB-CD2 4.09Å; L97-L106 HydrophobicContact CD1-CD2 3.94Å; E100-L106 HydrophobicContact CB-CD2 3.7Å; L101-L106 HydrophobicContact CD2-CD2 4.21Å; L101-L106 HydrophobicContact CD2-CG 3.92Å; L101-L106 WeakPolarHBondContact CD2-O 3.48Å; L101-L106 HydrophobicContact CG-CD2 4.22Å; L101-L106 HydrophobicContact CG-CG 4.42Å; L106-I108 HydrophobicContact CD1-CG2 4.41Å |
| 107 | E | 93 | Very high | 85.7 | Confident | 45 Ų | 45 | 43.6 Ų | 43.6 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142.2 | 172.1 | -66 | -171.7 | -157.8 | 0 | 0 | 110.3 | V80 Y81 G82 F109 R592 | V80-E107 PolarHBondContact O-N 3.42Å; Y81-E107 CarbonylContact C-O 3.52Å; Y81-E107 VanDerWaalsContact CA-O 3.25Å; Y81-E107 WeakPolarHBondContact CA-O 3.35Å; Y81-E107 HydrophobicContact CD1-CB 4.03Å; Y81-E107 HydrophobicContact CE1-CB 4.23Å; Y81-E107 HydrophobicContact CE1-CG 4.48Å; G82-E107 PolarHBondContact N-O 3.43Å; E107-F109 HydrophobicContact CB-CE2 3.82Å; E107-F109 HydrophobicContact CB-CZ 4.27Å; E107-R592 IonicContact OE1-CZ 2.72Å; E107-R592 IonicContact OE1-NH1 2.66Å; E107-R592 PolarHBondContact OE1-NH1 2.69Å |
| 108 | I | 92.7 | Very high | 85.5 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 141.5 | 178.1 | 64.1 | 177.3 | 0 | 0 | 0 | 111.5 | F60 L66 G82 A93 N94 L101 L106 | F60-I108 HydrophobicContact CE1-CB 3.91Å; F60-I108 HydrophobicContact CE1-CG2 4.06Å; F60-I108 HydrophobicContact CZ-CB 4.01Å; F60-I108 HydrophobicContact CZ-CD1 4.28Å; F60-I108 HydrophobicContact CZ-CG2 4.28Å; L66-I108 HydrophobicContact CD1-CG2 3.43Å; L66-I108 VanDerWaalsContact CD1-CG2 3.43Å; G82-I108 CarbonylContact O-C 3.58Å; G82-I108 VanDerWaalsContact O-CA 3.32Å; G82-I108 WeakPolarHBondContact O-CA 3.5Å; A93-I108 HydrophobicContact CB-CD1 4.4Å; N94-I108 HydrophobicContact CB-CD1 3.84Å; L101-I108 HydrophobicContact CD1-CD1 4Å; L101-I108 HydrophobicContact CD1-CG1 4.36Å; L101-I108 HydrophobicContact CD2-CB 4.49Å; L101-I108 HydrophobicContact CD2-CD1 4.33Å; L101-I108 HydrophobicContact CD2-CG1 3.9Å; L101-I108 HydrophobicContact CD2-CG2 4.2Å; L106-I108 HydrophobicContact CD1-CG2 4.41Å |
| 109 | F | 87 | Confident | 85.4 | Confident | 18 Ų | 18 | 44 Ų | 44 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132 | -175.1 | -60.2 | -98.4 | 0 | 0 | 0 | 110.3 | Y81 G82 T83 E84 E107 T111 P117 F118 | Y81-F109 AromaticContact CD1-CE2 3.91Å; Y81-F109 HydrophobicContact CD1-CE2 3.91Å; G82-F109 PolarHBondContact O-N 3.09Å; T83-F109 WeakPolarHBondContact CA-O 3.25Å; T83-F109 HydrophobicContact CG2-CB 4.24Å; E84-F109 PolarHBondContact N-O 3.21Å; E107-F109 HydrophobicContact CB-CE2 3.82Å; E107-F109 HydrophobicContact CB-CZ 4.27Å; F109-T111 HydrophobicContact CB-CG2 4.09Å; F109-T111 PolarHBondContact O-N 3.23Å; F109-P117 HydrophobicContact CB-CG 4.33Å; F109-P117 HydrophobicContact CD1-CG 3.72Å; F109-P117 HydrophobicContact CE1-CG 4.25Å; F109-P117 HydrophobicContact CG-CG 4.01Å; F109-F118 AromaticContact CD2-CE1 3.94Å; F109-F118 HydrophobicContact CD2-CE1 3.94Å; F109-F118 AromaticContact CD2-CZ 3.67Å; F109-F118 HydrophobicContact CD2-CZ 3.67Å; F109-F118 AromaticContact CE2-CE1 3.61Å; F109-F118 HydrophobicContact CE2-CE1 3.61Å; F109-F118 AromaticContact CE2-CZ 3.82Å; F109-F118 HydrophobicContact CE2-CZ 3.82Å; F109-F118 HydrophobicContact CG-CZ 4.33Å; F109-F118 AromaticContact CZ-CE1 3.94Å; F109-F118 HydrophobicContact CZ-CE1 3.94Å |
| 110 | Y | 86.1 | Confident | 85.3 | Confident | 98 Ų | 98 | 39.6 Ų | 39.6 | 38% | 0.384 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 97.4 | 164.9 | 170.4 | -116 | 0 | 0 | 0 | 108.8 | E84 R85 E87 | E84-Y110 CarbonylContact O-C 3.49Å; E84-Y110 WeakPolarHBondContact O-CA 3.19Å; E84-Y110 WeakPolarHBondContact O-CD2 3.21Å; R85-Y110 VanDerWaalsContact O-CE2 3.26Å; R85-Y110 WeakPolarHBondContact O-CE2 3.32Å; E87-Y110 VanDerWaalsContact CA-CE2 3.48Å; E87-Y110 HydrophobicContact CB-CD2 3.95Å; E87-Y110 HydrophobicContact CB-CE1 4.35Å; E87-Y110 HydrophobicContact CB-CE2 3.57Å; E87-Y110 HydrophobicContact CB-CG 4.48Å; E87-Y110 HydrophobicContact CG-CD1 4.5Å; E87-Y110 HydrophobicContact CG-CD2 4.44Å; E87-Y110 HydrophobicContact CG-CE1 4.43Å; E87-Y110 HydrophobicContact CG-CE2 4.36Å |
| 111 | T | 78.8 | Confident | 85.2 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | trans | -156.5 | 143.5 | -178.9 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | T83 E84 F109 H115 P117 | T83-T111 HydrophobicContact CG2-CG2 3.57Å; E84-T111 CarbonylContact C-O 3.51Å; E84-T111 PolarHBondContact O-N 3.28Å; F109-T111 HydrophobicContact CB-CG2 4.09Å; F109-T111 PolarHBondContact O-N 3.23Å; T111-H115 PolarHBondContact OG1-O 3.28Å; T111-P117 HydrophobicContact CG2-CG 4.38Å | ||
| 112 | P | 79.9 | Confident | 85.5 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 29% | 0.292 | 23% | 0.233 | S | C | . | . | trans | -71.3 | 143.4 | 168.4 | 32.6 | -36.5 | 0 | 0 | 0 | 111.5 | V114 H115 | P112-V114 HydrophobicContact CB-CG2 4.03Å; P112-V114 HydrophobicContact CG-CG2 4.01Å; P112-V114 PolarHBondContact O-N 3.35Å; P112-H115 PolarHBondContact O-N 3.42Å | ||
| 113 | A | 82.4 | Confident | 86.3 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -4.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V58 H115 F135 L136 C140 | V58-A113 HydrophobicContact CG1-CB 3.66Å; A113-H115 VanDerWaalsContact C-N 3.28Å; A113-F135 HydrophobicContact CB-CD2 4.33Å; A113-F135 HydrophobicContact CB-CE2 4.27Å; A113-L136 HydrophobicContact CB-CD2 3.82Å; A113-C140 HydrophobicContact CB-CB 4.29Å |
| 114 | V | 77.9 | Confident | 86.8 | Confident | 68 Ų | 68 | 35 Ų | 35 | 41% | 0.412 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -15.9 | 172.4 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | P112 P139 C140 | P112-V114 HydrophobicContact CB-CG2 4.03Å; P112-V114 HydrophobicContact CG-CG2 4.01Å; P112-V114 PolarHBondContact O-N 3.35Å; V114-P139 HydrophobicContact CG1-CB 4.38Å; V114-C140 WeakPolarHBondContact CG1-SG 3.3Å |
| 115 | H | 74.8 | Confident | 87.4 | Confident | 46 Ų | 46 | 34.3 Ų | 34.3 | 21% | 0.213 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -145.6 | 91.9 | 178.7 | -164.9 | 55.2 | 0 | 0 | 0 | 110.2 | T111 P112 A113 E143 V582 | T111-H115 PolarHBondContact OG1-O 3.28Å; P112-H115 PolarHBondContact O-N 3.42Å; A113-H115 VanDerWaalsContact C-N 3.28Å; H115-E143 WeakPolarHBondContact CA-OE1 3.38Å; H115-E143 IonicContact ND1-OE1 2.68Å; H115-V582 WeakPolarHBondContact NE2-CG1 3.43Å |
| 116 | L | 85.3 | Confident | 87.6 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | trans | -87 | 127.9 | -177.7 | -67 | 175.5 | 0 | 0 | 0 | 109.5 | L56 T83 F118 E143 L144 R146 V147 | L56-L116 HydrophobicContact CD2-CD1 3.99Å; T83-L116 HydrophobicContact CG2-CD2 3.75Å; L116-F118 HydrophobicContact CB-CD2 3.87Å; L116-F118 HydrophobicContact CB-CE2 4.41Å; L116-F118 HydrophobicContact CD2-CE2 4.38Å; L116-F118 PolarHBondContact O-N 2.83Å; L116-E143 HydrophobicContact CB-CG 3.85Å; L116-E143 HydrophobicContact CD1-CG 3.85Å; L116-E143 HydrophobicContact CG-CG 3.64Å; L116-E143 PolarHBondContact N-OE1 3.07Å; L116-L144 HydrophobicContact CD1-CD2 3.85Å; L116-R146 PolarHBondContact O-NH2 3.14Å; L116-V147 HydrophobicContact CB-CG1 4.04Å; L116-V147 HydrophobicContact CD1-CG1 4.12Å; L116-V147 HydrophobicContact CD1-CG2 3.71Å | ||
| 117 | P | 82.8 | Confident | 87.6 | Confident | 17 Ų | 17 | 31.2 Ų | 31.2 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -78.5 | 39.9 | -175.9 | 35.7 | -38.8 | 0 | 0 | 0 | 112.3 | F109 T111 | F109-P117 HydrophobicContact CB-CG 4.33Å; F109-P117 HydrophobicContact CD1-CG 3.72Å; F109-P117 HydrophobicContact CE1-CG 4.25Å; F109-P117 HydrophobicContact CG-CG 4.01Å; T111-P117 HydrophobicContact CG2-CG 4.38Å |
| 118 | F | 88.6 | Confident | 87.5 | Confident | 21 Ų | 21 | 29 Ų | 29 | 9% | 0.092 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -124.7 | 151.4 | -176.1 | -49.9 | -60.7 | 0 | 0 | 0 | 110.5 | L56 Y81 T83 F109 L116 F123 R146 V147 | L56-F118 HydrophobicContact CD1-CE2 3.63Å; L56-F118 HydrophobicContact CD1-CZ 4.1Å; L56-F118 HydrophobicContact CD2-CD2 4.15Å; L56-F118 HydrophobicContact CD2-CE2 4.01Å; L56-F118 HydrophobicContact CG-CE2 4.47Å; Y81-F118 AromaticContact CD1-CE1 3.74Å; Y81-F118 HydrophobicContact CD1-CE1 3.74Å; Y81-F118 HydrophobicContact CD1-CZ 4.31Å; Y81-F118 HydrophobicContact CG-CE1 4.31Å; T83-F118 HydrophobicContact CG2-CE2 3.72Å; T83-F118 HydrophobicContact CG2-CZ 4.01Å; F109-F118 AromaticContact CD2-CE1 3.94Å; F109-F118 HydrophobicContact CD2-CE1 3.94Å; F109-F118 AromaticContact CD2-CZ 3.67Å; F109-F118 HydrophobicContact CD2-CZ 3.67Å; F109-F118 AromaticContact CE2-CE1 3.61Å; F109-F118 HydrophobicContact CE2-CE1 3.61Å; F109-F118 AromaticContact CE2-CZ 3.82Å; F109-F118 HydrophobicContact CE2-CZ 3.82Å; F109-F118 HydrophobicContact CG-CZ 4.33Å; F109-F118 AromaticContact CZ-CE1 3.94Å; F109-F118 HydrophobicContact CZ-CE1 3.94Å; L116-F118 HydrophobicContact CB-CD2 3.87Å; L116-F118 HydrophobicContact CB-CE2 4.41Å; L116-F118 HydrophobicContact CD2-CE2 4.38Å; L116-F118 PolarHBondContact O-N 2.83Å; F118-F123 HydrophobicContact CB-CE2 3.67Å; F118-F123 HydrophobicContact CB-CZ 4.26Å; F118-F123 HydrophobicContact CD1-CE2 4.1Å; F118-F123 AromaticContact CD1-CZ 3.82Å; F118-F123 HydrophobicContact CD1-CZ 3.82Å; F118-F123 AromaticContact CD2-CE2 3.45Å; F118-F123 HydrophobicContact CD2-CE2 3.45Å; F118-F123 VanDerWaalsContact CD2-CE2 3.45Å; F118-F123 AromaticContact CD2-CZ 3.73Å; F118-F123 HydrophobicContact CD2-CZ 3.73Å; F118-F123 HydrophobicContact CE1-CZ 4.05Å; F118-F123 HydrophobicContact CE2-CE2 4.1Å; F118-F123 AromaticContact CE2-CZ 3.98Å; F118-F123 HydrophobicContact CE2-CZ 3.98Å; F118-F123 AromaticContact CG-CE2 3.47Å; F118-F123 HydrophobicContact CG-CE2 3.47Å; F118-F123 VanDerWaalsContact CG-CE2 3.47Å; F118-F123 AromaticContact CG-CZ 3.67Å; F118-F123 HydrophobicContact CG-CZ 3.67Å; F118-F123 HydrophobicContact CZ-CZ 4.13Å; F118-R146 PolarHBondContact O-NH1 3.15Å; F118-R146 PolarHBondContact O-NH2 3.1Å; F118-V147 HydrophobicContact CB-CB 4.44Å; F118-V147 HydrophobicContact CB-CG1 4Å |
| 119 | L | 83.4 | Confident | 87.3 | Confident | 44 Ų | 44 | 28.5 Ų | 28.5 | 23% | 0.23 | 15% | 0.149 | C | C | . | . | trans | -67.7 | 161.2 | 174.8 | -59.5 | 174.7 | 0 | 0 | 0 | 110.7 | S122 V597 | L119-S122 VanDerWaalsContact C-OG 3.28Å; L119-S122 WeakPolarHBondContact CB-OG 3.38Å; L119-S122 PolarHBondContact N-OG 3.22Å; L119-S122 WeakPolarHBondContact O-CB 3.45Å; L119-S122 PolarHBondContact O-OG 2.85Å; L119-V597 HydrophobicContact CD2-CG2 4.3Å | ||
| 120 | D | 85.8 | Confident | 86.9 | Confident | 49 Ų | 49 | 28 Ų | 28 | 26% | 0.262 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 146.6 | 171.8 | -57.5 | -5.6 | 0 | 0 | 0 | 110 | S122 R146 | D120-S122 PolarHBondContact O-N 3.29Å; D120-R146 VanDerWaalsContact CA-O 3.3Å; D120-R146 WeakPolarHBondContact CA-O 3.42Å; D120-R146 HydrophobicContact CB-CG 4.38Å; D120-R146 WeakPolarHBondContact OD1-CD 3.25Å; D120-R146 WeakPolarHBondContact OD1-CG 3.45Å; D120-R146 IonicContact OD1-CZ 3.59Å; D120-R146 IonicContact OD1-NE 2.87Å; D120-R146 IonicContact OD1-NH1 3.91Å; D120-R146 PolarHBondContact OD1-NH1 2.59Å |
| 121 | D | 91.8 | Very high | 86.4 | Confident | 65 Ų | 65 | 23.5 Ų | 23.5 | 35% | 0.348 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 38.2 | 175.2 | -54.8 | -39.8 | 0 | 0 | 0 | 114.2 | R146 V147 K149 P150 K214 | D121-R146 PolarHBondContact N-O 3.18Å; D121-V147 CarbonylContact C-O 3.51Å; D121-K149 HydrophobicContact CB-CG 4.14Å; D121-K149 WeakPolarHBondContact O-CE 3.38Å; D121-K149 WeakPolarHBondContact O-CG 3.48Å; D121-P150 WeakPolarHBondContact OD1-CD 3.37Å; D121-K214 IonicContact OD1-NZ 3.68Å; D121-K214 PolarHBondContact OD1-NZ 2.95Å |
| 122 | S | 92.6 | Very high | 86.3 | Confident | 26 Ų | 26 | 22.8 Ų | 22.8 | 18% | 0.182 | 13% | 0.126 | C | C | . | . | trans | -85.8 | -25.6 | -177.4 | -68.1 | 0 | 0 | 0 | 0 | 114.4 | K54 L119 D120 V147 | K54-S122 WeakPolarHBondContact CD-O 3.45Å; L119-S122 VanDerWaalsContact C-OG 3.28Å; L119-S122 WeakPolarHBondContact CB-OG 3.38Å; L119-S122 PolarHBondContact N-OG 3.22Å; L119-S122 WeakPolarHBondContact O-CB 3.45Å; L119-S122 PolarHBondContact O-OG 2.85Å; D120-S122 PolarHBondContact O-N 3.29Å; S122-V147 PolarHBondContact N-O 3.27Å | ||
| 123 | F | 96.2 | Very high | 86.1 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 1% | 0.013 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.1 | -169.2 | -63.4 | -78.6 | 0 | 0 | 0 | 113.2 | K54 L56 Y81 F118 V147 K149 | K54-F123 HydrophobicContact CB-CD1 4.13Å; L56-F123 HydrophobicContact CB-CD1 3.62Å; L56-F123 HydrophobicContact CB-CD2 4.09Å; L56-F123 HydrophobicContact CB-CE1 3.7Å; L56-F123 HydrophobicContact CB-CE2 4.16Å; L56-F123 HydrophobicContact CB-CG 3.82Å; L56-F123 HydrophobicContact CB-CZ 3.98Å; L56-F123 HydrophobicContact CD1-CZ 4.44Å; L56-F123 HydrophobicContact CD2-CD2 4.14Å; L56-F123 HydrophobicContact CD2-CE2 3.96Å; L56-F123 HydrophobicContact CD2-CZ 4.36Å; L56-F123 HydrophobicContact CG-CZ 4.48Å; Y81-F123 HydrophobicContact CD2-CD1 4.44Å; Y81-F123 AromaticContact CD2-CE1 3.42Å; Y81-F123 HydrophobicContact CD2-CE1 3.42Å; Y81-F123 VanDerWaalsContact CD2-CE1 3.42Å; Y81-F123 HydrophobicContact CD2-CZ 4.11Å; Y81-F123 HydrophobicContact CE2-CE1 4.11Å; Y81-F123 AromaticContact CG-CE1 3.69Å; Y81-F123 HydrophobicContact CG-CE1 3.69Å; Y81-F123 AromaticContact CG-CZ 3.95Å; Y81-F123 HydrophobicContact CG-CZ 3.95Å; F118-F123 HydrophobicContact CB-CE2 3.67Å; F118-F123 HydrophobicContact CB-CZ 4.26Å; F118-F123 HydrophobicContact CD1-CE2 4.1Å; F118-F123 AromaticContact CD1-CZ 3.82Å; F118-F123 HydrophobicContact CD1-CZ 3.82Å; F118-F123 AromaticContact CD2-CE2 3.45Å; F118-F123 HydrophobicContact CD2-CE2 3.45Å; F118-F123 VanDerWaalsContact CD2-CE2 3.45Å; F118-F123 AromaticContact CD2-CZ 3.73Å; F118-F123 HydrophobicContact CD2-CZ 3.73Å; F118-F123 HydrophobicContact CE1-CZ 4.05Å; F118-F123 HydrophobicContact CE2-CE2 4.1Å; F118-F123 AromaticContact CE2-CZ 3.98Å; F118-F123 HydrophobicContact CE2-CZ 3.98Å; F118-F123 AromaticContact CG-CE2 3.47Å; F118-F123 HydrophobicContact CG-CE2 3.47Å; F118-F123 VanDerWaalsContact CG-CE2 3.47Å; F118-F123 AromaticContact CG-CZ 3.67Å; F118-F123 HydrophobicContact CG-CZ 3.67Å; F118-F123 HydrophobicContact CZ-CZ 4.13Å; F123-V147 HydrophobicContact CD2-CB 3.91Å; F123-V147 HydrophobicContact CD2-CG2 3.9Å; F123-V147 WeakPolarHBondContact CD2-O 3.41Å; F123-V147 HydrophobicContact CE2-CB 4.2Å; F123-V147 HydrophobicContact CE2-CG2 4.31Å; F123-V147 PolarHBondContact N-O 3.48Å; F123-K149 WeakPolarHBondContact O-CB 3.33Å; F123-K149 WeakPolarHBondContact O-CG 3.34Å; F123-K149 PolarHBondContact O-N 3.06Å |
| 124 | D | 96 | Very high | 85.4 | Confident | 39 Ų | 39 | 21.2 Ų | 21.2 | 21% | 0.209 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -35.9 | 171.2 | -55.8 | -72.1 | 0 | 0 | 0 | 110.6 | D53 K54 K149 G152 K153 | D53-D124 HydrophobicContact CB-CB 4.18Å; K54-D124 PolarHBondContact N-OD2 3.5Å; K54-D124 PolarHBondContact O-N 3.33Å; D124-K149 VanDerWaalsContact OD1-CD 3.28Å; D124-K149 WeakPolarHBondContact OD1-CD 3.3Å; D124-K149 IonicContact OD1-NZ 2.82Å; D124-K149 PolarHBondContact OD1-NZ 3.38Å; D124-K149 IonicContact OD2-NZ 3.51Å; D124-K149 PolarHBondContact OD2-NZ 3.01Å; D124-K149 VanDerWaalsContact OD2-NZ 3.09Å; D124-G152 WeakPolarHBondContact O-CA 3.39Å; D124-K153 PolarHBondContact O-N 3.14Å |
| 125 | W | 96 | Very high | 84.8 | Confident | 20 Ų | 20 | 19 Ų | 19 | 8% | 0.076 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.9 | -179.4 | -65 | 91.1 | 0 | 0 | 0 | 112.5 | L47 P48 V49 D53 K54 V55 L56 K153 V155 | L47-W125 HydrophobicContact CD2-CZ3 4.49Å; P48-W125 HydrophobicContact CG-CH2 3.76Å; P48-W125 HydrophobicContact CG-CZ2 3.88Å; V49-W125 HydrophobicContact CG2-CD2 4.38Å; V49-W125 HydrophobicContact CG2-CG 4.2Å; D53-W125 VanDerWaalsContact OD2-CD1 3.3Å; D53-W125 PolarHBondContact OD2-NE1 2.85Å; K54-W125 PolarHBondContact O-N 2.96Å; V55-W125 WeakPolarHBondContact CA-O 3.35Å; V55-W125 HydrophobicContact CB-CB 4.33Å; V55-W125 HydrophobicContact CG1-CB 3.82Å; V55-W125 HydrophobicContact CG2-CB 4.07Å; L56-W125 PolarHBondContact N-O 3.03Å; W125-K153 CarbonylContact C-O 3.59Å; W125-K153 VanDerWaalsContact CA-O 3.28Å; W125-K153 WeakPolarHBondContact CA-O 3.33Å; W125-K153 HydrophobicContact CD2-CB 4.2Å; W125-K153 HydrophobicContact CE3-CB 3.5Å; W125-K153 HydrophobicContact CH2-CB 3.95Å; W125-K153 HydrophobicContact CH2-CD 3.42Å; W125-K153 VanDerWaalsContact CH2-CD 3.42Å; W125-K153 HydrophobicContact CH2-CG 4.31Å; W125-K153 HydrophobicContact CZ2-CD 4.02Å; W125-K153 HydrophobicContact CZ3-CB 3.36Å; W125-K153 HydrophobicContact CZ3-CD 3.73Å; W125-K153 HydrophobicContact CZ3-CG 4.18Å; W125-V155 HydrophobicContact CE3-CG2 4.44Å; W125-V155 HydrophobicContact CZ3-CG2 4.18Å |
| 126 | I | 95 | Very high | 84.3 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129 | 162.6 | -69.6 | 171 | 0 | 0 | 0 | 108.5 | L56 V58 L144 V147 L148 K153 M154 V155 | L56-I126 HydrophobicContact CB-CG1 4.2Å; L56-I126 HydrophobicContact CD2-CG1 4.3Å; L56-I126 CarbonylContact O-C 3.56Å; L56-I126 WeakPolarHBondContact O-CA 3.31Å; V58-I126 HydrophobicContact CG2-CG2 4.28Å; I126-L144 HydrophobicContact CD1-CB 3.95Å; I126-L144 HydrophobicContact CD1-CD2 4.04Å; I126-L144 VanDerWaalsContact CD1-O 3.29Å; I126-L144 WeakPolarHBondContact CD1-O 3.42Å; I126-L144 HydrophobicContact CG2-CD2 4.05Å; I126-V147 HydrophobicContact CD1-CG2 3.92Å; I126-L148 HydrophobicContact CB-CD1 4.45Å; I126-L148 HydrophobicContact CD1-CB 3.79Å; I126-L148 HydrophobicContact CD1-CD1 4.02Å; I126-L148 HydrophobicContact CD1-CD2 4.4Å; I126-L148 HydrophobicContact CD1-CG 4.31Å; I126-L148 HydrophobicContact CG1-CD1 3.89Å; I126-K153 PolarHBondContact N-O 3.44Å; I126-M154 HydrophobicContact CB-CB 4.26Å; I126-M154 HydrophobicContact CB-CG 3.9Å; I126-M154 HydrophobicContact CB-SD 4.36Å; I126-M154 HydrophobicContact CG2-CG 3.78Å; I126-M154 HydrophobicContact CG2-SD 3.86Å; I126-M154 CarbonylContact O-C 3.56Å; I126-M154 WeakPolarHBondContact O-CA 3.38Å; I126-V155 PolarHBondContact O-N 2.83Å |
| 127 | F | 93.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.4 | 175.5 | 174.1 | -111.9 | 0 | 0 | 0 | 109.9 | S40 A43 V44 L47 L56 E57 V58 L69 N129 V155 A157 | S40-F127 WeakPolarHBondContact OG-CE1 3.37Å; A43-F127 HydrophobicContact CB-CE2 3.86Å; A43-F127 HydrophobicContact CB-CZ 4.01Å; V44-F127 HydrophobicContact CG2-CD1 4Å; V44-F127 HydrophobicContact CG2-CE1 3.69Å; V44-F127 HydrophobicContact CG2-CZ 3.96Å; L47-F127 HydrophobicContact CD1-CB 4.3Å; L47-F127 HydrophobicContact CD1-CD2 3.9Å; L47-F127 HydrophobicContact CD1-CG 4.21Å; L56-F127 PolarHBondContact O-N 2.87Å; E57-F127 CarbonylContact C-O 3.57Å; E57-F127 WeakPolarHBondContact CA-O 3.48Å; E57-F127 HydrophobicContact CB-CD1 4.41Å; E57-F127 HydrophobicContact CG-CD1 3.8Å; E57-F127 HydrophobicContact CG-CE1 4.36Å; E57-F127 WeakPolarHBondContact OE1-CE1 3.36Å; V58-F127 PolarHBondContact N-O 3.13Å; L69-F127 HydrophobicContact CD1-CD1 4.37Å; F127-N129 HydrophobicContact CE1-CB 4.37Å; F127-N129 HydrophobicContact CZ-CB 4Å; F127-V155 WeakPolarHBondContact CA-O 3.5Å; F127-V155 HydrophobicContact CD2-CB 4.38Å; F127-V155 WeakPolarHBondContact CD2-O 3.36Å; F127-A157 HydrophobicContact CE2-CB 4.04Å; F127-A157 HydrophobicContact CZ-CB 4.33Å |
| 128 | H | 90.4 | Very high | 83 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 147.2 | 166.3 | 57.8 | 73.7 | 0 | 0 | 0 | 112.1 | V58 C131 L136 V155 T156 A157 Y183 | V58-H128 HydrophobicContact CB-CB 4.14Å; V58-H128 WeakPolarHBondContact O-CB 3.15Å; H128-C131 WeakPolarHBondContact CB-SG 3.45Å; H128-C131 PolarHBondContact ND1-SG 2.83Å; H128-L136 VanDerWaalsContact CE1-CD1 3.41Å; H128-L136 WeakPolarHBondContact CE1-CD1 3.35Å; H128-L136 WeakPolarHBondContact NE2-CD1 3.31Å; H128-V155 PolarHBondContact N-O 2.86Å; H128-T156 VanDerWaalsContact CE1-CG2 3.4Å; H128-T156 WeakPolarHBondContact CE1-CG2 3.41Å; H128-T156 PolarHBondContact CE1-OG1 2.91Å; H128-T156 WeakPolarHBondContact ND1-CG2 3.44Å; H128-T156 PolarHBondContact ND1-OG1 3.27Å; H128-T156 PolarHBondContact NE2-OG1 3.33Å; H128-T156 CarbonylContact O-C 3.6Å; H128-T156 VanDerWaalsContact O-CA 3.24Å; H128-T156 WeakPolarHBondContact O-CA 3.32Å; H128-A157 PolarHBondContact O-N 3.44Å; H128-Y183 AromaticContact CE1-CZ 3.79Å; H128-Y183 PolarHBondContact CE1-OH 3.04Å; H128-Y183 PolarHBondContact NE2-OH 3.44Å |
| 129 | N | 88.8 | Confident | 82.3 | Confident | 16 Ų | 16 | 21 Ų | 21 | 9% | 0.086 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.6 | -174.8 | 176.4 | 51.7 | 0 | 0 | 0 | 111 | S36 V39 F127 C131 A157 | S36-N129 PolarHBondContact O-ND2 3.41Å; V39-N129 WeakPolarHBondContact CG1-OD1 3.49Å; F127-N129 HydrophobicContact CE1-CB 4.37Å; F127-N129 HydrophobicContact CZ-CB 4Å; N129-C131 PolarHBondContact O-N 3.47Å; N129-A157 CarbonylContact C-O 3.52Å; N129-A157 WeakPolarHBondContact CA-O 3.49Å; N129-A157 HydrophobicContact CB-CB 4.19Å; N129-A157 WeakPolarHBondContact OD1-CB 3.48Å; N129-A157 PolarHBondContact OD1-O 2.83Å |
| 130 | D | 80 | Confident | 82.4 | Confident | 7 Ų | 7 | 19 Ų | 19 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 55.4 | 23.8 | 171.6 | -94.9 | -27.2 | 0 | 0 | 0 | 114.1 | S36 Y133 Y134 A157 L158 S159 R162 | S36-D130 PolarHBondContact OG-OD2 3.2Å; D130-Y133 VanDerWaalsContact CB-OH 3.32Å; D130-Y133 WeakPolarHBondContact CB-OH 3.49Å; D130-Y133 WeakPolarHBondContact O-CE2 3.46Å; D130-Y133 PolarHBondContact O-OH 2.95Å; D130-Y133 PolarHBondContact OD1-OH 3.3Å; D130-Y134 WeakPolarHBondContact O-CD2 3.45Å; D130-Y134 WeakPolarHBondContact O-CE2 3.45Å; D130-A157 PolarHBondContact N-O 3.43Å; D130-L158 WeakPolarHBondContact OD1-CA 3.41Å; D130-S159 PolarHBondContact OD1-N 3.49Å; D130-R162 VanDerWaalsContact CB-NH1 3.26Å; D130-R162 IonicContact OD1-NH1 3.66Å; D130-R162 WeakPolarHBondContact OD2-CD 3.41Å; D130-R162 IonicContact OD2-CZ 3.07Å; D130-R162 IonicContact OD2-NE 3.49Å; D130-R162 IonicContact OD2-NH1 2.76Å; D130-R162 PolarHBondContact OD2-NH1 3Å |
| 131 | C | 75.2 | Confident | 82.5 | Confident | 4 Ų | 4 | 16.7 Ų | 16.7 | 3% | 0.027 | 10% | 0.099 | C | C | . | . | trans | -105.6 | -19.7 | -174.2 | 71.8 | 0 | 0 | 0 | 0 | 114.3 | H128 N129 Y133 Y134 F135 L136 | H128-C131 WeakPolarHBondContact CB-SG 3.45Å; H128-C131 PolarHBondContact ND1-SG 2.83Å; N129-C131 PolarHBondContact O-N 3.47Å; C131-Y133 PolarHBondContact O-N 3.19Å; C131-Y133 VanDerWaalsContact O-N 3.15Å; C131-Y134 PolarHBondContact O-N 3.12Å; C131-F135 HydrophobicContact CB-CE1 3.93Å; C131-F135 HydrophobicContact CB-CE2 4.35Å; C131-F135 HydrophobicContact CB-CZ 3.69Å; C131-F135 PolarHBondContact O-N 3Å; C131-L136 WeakPolarHBondContact SG-CD1 3.36Å | ||
| 132 | F | 76.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -30.4 | -167.7 | 73.2 | -92.5 | 0 | 0 | 0 | 113.3 | L136 T156 L158 F177 P180 Y183 | F132-L136 HydrophobicContact CB-CD1 4.24Å; F132-T156 HydrophobicContact CB-CG2 4.46Å; F132-T156 HydrophobicContact CD1-CG2 3.73Å; F132-T156 HydrophobicContact CE1-CG2 4.47Å; F132-T156 HydrophobicContact CG-CG2 4.44Å; F132-L158 HydrophobicContact CE1-CB 3.9Å; F132-L158 HydrophobicContact CE1-CD1 3.91Å; F132-L158 HydrophobicContact CE1-CD2 4.39Å; F132-L158 HydrophobicContact CE1-CG 4.29Å; F132-L158 HydrophobicContact CZ-CD1 4.12Å; F132-F177 HydrophobicContact CD2-CB 3.89Å; F132-F177 HydrophobicContact CE2-CB 4.2Å; F132-P180 HydrophobicContact CZ-CB 4.27Å; F132-P180 HydrophobicContact CZ-CG 4.05Å; F132-Y183 HydrophobicContact CB-CD1 4.22Å; F132-Y183 HydrophobicContact CB-CD2 3.65Å; F132-Y183 HydrophobicContact CB-CE1 4.22Å; F132-Y183 HydrophobicContact CB-CE2 3.62Å; F132-Y183 HydrophobicContact CB-CG 3.95Å; F132-Y183 HydrophobicContact CD2-CD1 4.25Å; F132-Y183 HydrophobicContact CD2-CD2 4.02Å; F132-Y183 AromaticContact CD2-CG 3.7Å; F132-Y183 HydrophobicContact CD2-CG 3.7Å; F132-Y183 HydrophobicContact CE2-CG 4.46Å; F132-Y183 HydrophobicContact CG-CD1 4.17Å; F132-Y183 HydrophobicContact CG-CD2 4.14Å; F132-Y183 HydrophobicContact CG-CE2 4.5Å; F132-Y183 AromaticContact CG-CG 3.96Å; F132-Y183 HydrophobicContact CG-CG 3.96Å |
| 133 | Y | 75.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -27.4 | 174.3 | 41 | -88.6 | 0 | 0 | 0 | 113.3 | D130 C131 R162 L163 L166 L172 A175 F176 F177 | D130-Y133 VanDerWaalsContact CB-OH 3.32Å; D130-Y133 WeakPolarHBondContact CB-OH 3.49Å; D130-Y133 WeakPolarHBondContact O-CE2 3.46Å; D130-Y133 PolarHBondContact O-OH 2.95Å; D130-Y133 PolarHBondContact OD1-OH 3.3Å; C131-Y133 PolarHBondContact O-N 3.19Å; C131-Y133 VanDerWaalsContact O-N 3.15Å; Y133-R162 PolarHBondContact OH-NH1 3.28Å; Y133-L163 HydrophobicContact CD1-CD1 3.98Å; Y133-L163 HydrophobicContact CE1-CD1 4.16Å; Y133-L163 HydrophobicContact CG-CD1 4.29Å; Y133-L166 HydrophobicContact CE2-CD1 3.81Å; Y133-L172 HydrophobicContact CD2-CD2 3.5Å; Y133-L172 HydrophobicContact CE2-CD2 3.99Å; Y133-L172 HydrophobicContact CG-CD2 4.25Å; Y133-A175 WeakPolarHBondContact O-CA 3.2Å; Y133-A175 WeakPolarHBondContact O-CB 3.37Å; Y133-F176 PolarHBondContact O-N 3.2Å; Y133-F177 VanDerWaalsContact CA-O 3.26Å; Y133-F177 WeakPolarHBondContact CA-O 2.92Å; Y133-F177 WeakPolarHBondContact CB-O 3.41Å |
| 134 | Y | 66.8 | Low | 81.6 | Confident | 17 Ų | 17 | 16.3 Ų | 16.3 | 7% | 0.067 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -43 | -174.7 | -67.1 | -55 | 0 | 0 | 0 | 113.4 | L16 K17 D130 C131 R162 L166 L172 | L16-Y134 HydrophobicContact CB-CD1 4.41Å; L16-Y134 HydrophobicContact CB-CE1 3.68Å; L16-Y134 HydrophobicContact CD1-CE1 4.39Å; L16-Y134 HydrophobicContact CD2-CE1 4.34Å; L16-Y134 VanDerWaalsContact CD2-OH 3.27Å; L16-Y134 WeakPolarHBondContact CD2-OH 3.44Å; L16-Y134 HydrophobicContact CG-CE1 4.37Å; K17-Y134 HydrophobicContact CG-CD1 3.83Å; K17-Y134 HydrophobicContact CG-CG 4.45Å; D130-Y134 WeakPolarHBondContact O-CD2 3.45Å; D130-Y134 WeakPolarHBondContact O-CE2 3.45Å; C131-Y134 PolarHBondContact O-N 3.12Å; Y134-R162 PolarHBondContact OH-NH2 3.25Å; Y134-L166 WeakPolarHBondContact OH-CD1 3.37Å; Y134-L172 HydrophobicContact CE1-CD2 4.3Å |
| 135 | F | 65.1 | Low | 81.3 | Confident | 21 Ų | 21 | 14.8 Ų | 14.8 | 9% | 0.092 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -156.7 | 2.6 | -169.5 | 61.1 | -100.9 | 0 | 0 | 0 | 116.9 | V58 R85 A113 C131 G137 C140 | V58-F135 HydrophobicContact CG1-CE2 4.18Å; R85-F135 VanDerWaalsContact CD-CD1 3.45Å; R85-F135 HydrophobicContact CG-CD1 4.26Å; R85-F135 HydrophobicContact CG-CE1 4.28Å; A113-F135 HydrophobicContact CB-CD2 4.33Å; A113-F135 HydrophobicContact CB-CE2 4.27Å; C131-F135 HydrophobicContact CB-CE1 3.93Å; C131-F135 HydrophobicContact CB-CE2 4.35Å; C131-F135 HydrophobicContact CB-CZ 3.69Å; C131-F135 PolarHBondContact O-N 3Å; F135-G137 PolarHBondContact O-N 2.97Å; F135-C140 PolarHBondContact O-SG 3.26Å |
| 136 | L | 65.2 | Low | 81 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -87.7 | 94.3 | 170.4 | -57.9 | -177.2 | 0 | 0 | 0 | 108.7 | V58 A113 H128 C131 F132 C140 L144 F177 Y183 | V58-L136 HydrophobicContact CG1-CD2 4.16Å; A113-L136 HydrophobicContact CB-CD2 3.82Å; H128-L136 VanDerWaalsContact CE1-CD1 3.41Å; H128-L136 WeakPolarHBondContact CE1-CD1 3.35Å; H128-L136 WeakPolarHBondContact NE2-CD1 3.31Å; C131-L136 WeakPolarHBondContact SG-CD1 3.36Å; F132-L136 HydrophobicContact CB-CD1 4.24Å; L136-C140 HydrophobicContact CB-CB 4.32Å; L136-C140 HydrophobicContact CD2-CB 3.8Å; L136-L144 HydrophobicContact CD1-CD1 4.42Å; L136-L144 HydrophobicContact CD2-CD1 4.4Å; L136-F177 WeakPolarHBondContact O-CD2 3.34Å; L136-F177 WeakPolarHBondContact O-CE2 3.19Å; L136-Y183 HydrophobicContact CD1-CE2 4.44Å | ||
| 137 | G | 70.7 | Confident | 80.9 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | trans | -90.1 | -179.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F135 P139 C140 L141 | F135-G137 PolarHBondContact O-N 2.97Å; G137-P139 VanDerWaalsContact C-CD 3.46Å; G137-P139 VanDerWaalsContact C-N 3.33Å; G137-C140 WeakPolarHBondContact O-CB 3.18Å; G137-C140 PolarHBondContact O-N 2.89Å; G137-L141 PolarHBondContact O-N 2.94Å | ||
| 138 | A | 69.8 | Low | 80.9 | Confident | 46 Ų | 46 | 16.5 Ų | 16.5 | 38% | 0.38 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -53 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C140 L141 H142 | A138-C140 VanDerWaalsContact C-N 3.3Å; A138-C140 PolarHBondContact O-N 3.32Å; A138-L141 PolarHBondContact O-N 3.05Å; A138-H142 PolarHBondContact O-N 2.97Å; A138-H142 VanDerWaalsContact O-N 3.17Å; A138-H142 PolarHBondContact O-ND1 3.44Å |
| 139 | P | 73.6 | Confident | 81 | Confident | 83 Ų | 83 | 19.5 Ų | 19.5 | 54% | 0.539 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -60.2 | -37.2 | 174.6 | -25.1 | 35.6 | 0 | 0 | 0 | 113.6 | V114 G137 H142 E143 | V114-P139 HydrophobicContact CG1-CB 4.38Å; G137-P139 VanDerWaalsContact C-CD 3.46Å; G137-P139 VanDerWaalsContact C-N 3.33Å; P139-H142 PolarHBondContact O-N 3.33Å; P139-E143 PolarHBondContact O-N 3.36Å; P139-E143 VanDerWaalsContact O-N 3.16Å |
| 140 | C | 84.6 | Confident | 81.1 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 175.6 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | A113 V114 F135 L136 G137 A138 H142 E143 L144 | A113-C140 HydrophobicContact CB-CB 4.29Å; V114-C140 WeakPolarHBondContact CG1-SG 3.3Å; F135-C140 PolarHBondContact O-SG 3.26Å; L136-C140 HydrophobicContact CB-CB 4.32Å; L136-C140 HydrophobicContact CD2-CB 3.8Å; G137-C140 WeakPolarHBondContact O-CB 3.18Å; G137-C140 PolarHBondContact O-N 2.89Å; A138-C140 VanDerWaalsContact C-N 3.3Å; A138-C140 PolarHBondContact O-N 3.32Å; C140-H142 VanDerWaalsContact C-N 3.26Å; C140-H142 PolarHBondContact O-N 3.47Å; C140-E143 WeakPolarHBondContact O-CB 3.45Å; C140-E143 PolarHBondContact O-N 3.08Å; C140-E143 VanDerWaalsContact O-N 3.08Å; C140-L144 VanDerWaalsContact O-CG 3.28Å; C140-L144 WeakPolarHBondContact O-CG 3.48Å; C140-L144 PolarHBondContact O-N 3Å |
| 141 | L | 88.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.5 | -35.8 | 179.5 | -67.8 | -177 | 0 | 0 | 0 | 112.6 | G137 A138 L144 S145 F177 Y183 A186 L187 C190 | G137-L141 PolarHBondContact O-N 2.94Å; A138-L141 PolarHBondContact O-N 3.05Å; L141-L144 HydrophobicContact CD2-CD1 4.19Å; L141-L144 PolarHBondContact O-N 3.29Å; L141-S145 PolarHBondContact O-N 3.42Å; L141-F177 HydrophobicContact CD1-CE2 4.49Å; L141-Y183 HydrophobicContact CD1-CE2 4.41Å; L141-Y183 HydrophobicContact CD2-CE2 3.7Å; L141-A186 HydrophobicContact CD1-CB 3.64Å; L141-L187 HydrophobicContact CD1-CD2 4.12Å; L141-L187 HydrophobicContact CD2-CD2 3.55Å; L141-L187 HydrophobicContact CG-CD2 4.4Å; L141-C190 HydrophobicContact CB-CB 4.04Å; L141-C190 VanDerWaalsContact CB-SG 3.51Å |
| 142 | H | 83.9 | Confident | 82.4 | Confident | 62 Ų | 62 | 27.7 Ų | 27.7 | 29% | 0.287 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65.4 | -42.3 | 172.3 | -64.1 | 138.7 | 0 | 0 | 0 | 112.5 | A138 P139 C140 L144 S145 R146 C190 K226 | A138-H142 PolarHBondContact O-N 2.97Å; A138-H142 VanDerWaalsContact O-N 3.17Å; A138-H142 PolarHBondContact O-ND1 3.44Å; P139-H142 PolarHBondContact O-N 3.33Å; C140-H142 VanDerWaalsContact C-N 3.26Å; C140-H142 PolarHBondContact O-N 3.47Å; H142-L144 VanDerWaalsContact C-N 3.34Å; H142-S145 PolarHBondContact O-N 3.05Å; H142-R146 WeakPolarHBondContact O-CB 3.09Å; H142-R146 PolarHBondContact O-N 3.4Å; H142-C190 PolarHBondContact NE2-SG 3.04Å; H142-K226 PolarHBondContact CD2-NZ 3.37Å; H142-K226 VanDerWaalsContact NE2-CE 3.25Å; H142-K226 WeakPolarHBondContact NE2-CE 3.47Å; H142-K226 PolarHBondContact NE2-NZ 3.36Å |
| 143 | E | 87.3 | Confident | 83.2 | Confident | 23 Ų | 23 | 32.1 Ų | 32.1 | 11% | 0.107 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 177 | -165.8 | 70.3 | 167.4 | 0 | 0 | 112.2 | H115 L116 P139 C140 R146 V147 | H115-E143 WeakPolarHBondContact CA-OE1 3.38Å; H115-E143 IonicContact ND1-OE1 2.68Å; L116-E143 HydrophobicContact CB-CG 3.85Å; L116-E143 HydrophobicContact CD1-CG 3.85Å; L116-E143 HydrophobicContact CG-CG 3.64Å; L116-E143 PolarHBondContact N-OE1 3.07Å; P139-E143 PolarHBondContact O-N 3.36Å; P139-E143 VanDerWaalsContact O-N 3.16Å; C140-E143 WeakPolarHBondContact O-CB 3.45Å; C140-E143 PolarHBondContact O-N 3.08Å; C140-E143 VanDerWaalsContact O-N 3.08Å; E143-R146 VanDerWaalsContact CD-NE 3.32Å; E143-R146 VanDerWaalsContact CD-NH2 3.27Å; E143-R146 WeakPolarHBondContact O-CB 3.49Å; E143-R146 PolarHBondContact O-N 3.37Å; E143-R146 IonicContact OE1-CZ 3.59Å; E143-R146 IonicContact OE1-NE 2.86Å; E143-R146 PolarHBondContact OE1-NE 3.3Å; E143-R146 IonicContact OE1-NH2 2.97Å; E143-R146 PolarHBondContact OE1-NH2 3.11Å; E143-R146 IonicContact OE2-CZ 3.89Å; E143-R146 IonicContact OE2-NE 3.62Å; E143-R146 PolarHBondContact OE2-NE 2.76Å; E143-R146 IonicContact OE2-NH2 3.23Å; E143-V147 PolarHBondContact O-N 2.73Å; E143-V147 VanDerWaalsContact O-N 3.17Å |
| 144 | L | 91.9 | Very high | 84 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 172.5 | -63.2 | 175.1 | 0 | 0 | 0 | 111.5 | V58 L116 I126 L136 C140 L141 H142 R146 V147 L148 M154 F192 | V58-L144 HydrophobicContact CG2-CD2 3.68Å; L116-L144 HydrophobicContact CD1-CD2 3.85Å; I126-L144 HydrophobicContact CD1-CB 3.95Å; I126-L144 HydrophobicContact CD1-CD2 4.04Å; I126-L144 VanDerWaalsContact CD1-O 3.29Å; I126-L144 WeakPolarHBondContact CD1-O 3.42Å; I126-L144 HydrophobicContact CG2-CD2 4.05Å; L136-L144 HydrophobicContact CD1-CD1 4.42Å; L136-L144 HydrophobicContact CD2-CD1 4.4Å; C140-L144 VanDerWaalsContact O-CG 3.28Å; C140-L144 WeakPolarHBondContact O-CG 3.48Å; C140-L144 PolarHBondContact O-N 3Å; L141-L144 HydrophobicContact CD2-CD1 4.19Å; L141-L144 PolarHBondContact O-N 3.29Å; H142-L144 VanDerWaalsContact C-N 3.34Å; L144-R146 VanDerWaalsContact C-N 3.28Å; L144-R146 PolarHBondContact O-N 3.5Å; L144-V147 PolarHBondContact O-N 3.28Å; L144-L148 VanDerWaalsContact O-CB 3.25Å; L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 PolarHBondContact O-N 2.85Å; L144-L148 VanDerWaalsContact O-N 3.08Å; L144-M154 HydrophobicContact CB-SD 4.37Å; L144-M154 HydrophobicContact CD1-SD 3.78Å; L144-F192 HydrophobicContact CB-CZ 4.48Å |
| 145 | S | 89.8 | Confident | 85.3 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 174 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | L141 H142 V147 L148 K214 Q218 | L141-S145 PolarHBondContact O-N 3.42Å; H142-S145 PolarHBondContact O-N 3.05Å; S145-V147 PolarHBondContact O-N 3.05Å; S145-L148 PolarHBondContact O-N 3.27Å; S145-K214 WeakPolarHBondContact O-CD 3.22Å; S145-K214 WeakPolarHBondContact O-CE 3.49Å; S145-K214 PolarHBondContact O-NZ 2.86Å; S145-Q218 PolarHBondContact OG-NE2 2.8Å |
| 146 | R | 88.5 | Confident | 86.6 | Confident | 56 Ų | 56 | 30.4 Ų | 30.4 | 21% | 0.211 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -50.1 | 178.9 | -175.6 | -177 | 66.2 | 71.6 | -1.1 | 112.2 | L116 F118 D120 D121 H142 E143 L144 | L116-R146 PolarHBondContact O-NH2 3.14Å; F118-R146 PolarHBondContact O-NH1 3.15Å; F118-R146 PolarHBondContact O-NH2 3.1Å; D120-R146 VanDerWaalsContact CA-O 3.3Å; D120-R146 WeakPolarHBondContact CA-O 3.42Å; D120-R146 HydrophobicContact CB-CG 4.38Å; D120-R146 WeakPolarHBondContact OD1-CD 3.25Å; D120-R146 WeakPolarHBondContact OD1-CG 3.45Å; D120-R146 IonicContact OD1-CZ 3.59Å; D120-R146 IonicContact OD1-NE 2.87Å; D120-R146 IonicContact OD1-NH1 3.91Å; D120-R146 PolarHBondContact OD1-NH1 2.59Å; D121-R146 PolarHBondContact N-O 3.18Å; H142-R146 WeakPolarHBondContact O-CB 3.09Å; H142-R146 PolarHBondContact O-N 3.4Å; E143-R146 VanDerWaalsContact CD-NE 3.32Å; E143-R146 VanDerWaalsContact CD-NH2 3.27Å; E143-R146 WeakPolarHBondContact O-CB 3.49Å; E143-R146 PolarHBondContact O-N 3.37Å; E143-R146 IonicContact OE1-CZ 3.59Å; E143-R146 IonicContact OE1-NE 2.86Å; E143-R146 PolarHBondContact OE1-NE 3.3Å; E143-R146 IonicContact OE1-NH2 2.97Å; E143-R146 PolarHBondContact OE1-NH2 3.11Å; E143-R146 IonicContact OE2-CZ 3.89Å; E143-R146 IonicContact OE2-NE 3.62Å; E143-R146 PolarHBondContact OE2-NE 2.76Å; E143-R146 IonicContact OE2-NH2 3.23Å; L144-R146 VanDerWaalsContact C-N 3.28Å; L144-R146 PolarHBondContact O-N 3.5Å |
| 147 | V | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -82.1 | -16.9 | -175.3 | -55 | 0 | 0 | 0 | 0 | 113.8 | L56 L116 F118 D121 S122 F123 I126 E143 L144 S145 | L56-V147 HydrophobicContact CD2-CG2 4Å; L116-V147 HydrophobicContact CB-CG1 4.04Å; L116-V147 HydrophobicContact CD1-CG1 4.12Å; L116-V147 HydrophobicContact CD1-CG2 3.71Å; F118-V147 HydrophobicContact CB-CB 4.44Å; F118-V147 HydrophobicContact CB-CG1 4Å; D121-V147 CarbonylContact C-O 3.51Å; S122-V147 PolarHBondContact N-O 3.27Å; F123-V147 HydrophobicContact CD2-CB 3.91Å; F123-V147 HydrophobicContact CD2-CG2 3.9Å; F123-V147 WeakPolarHBondContact CD2-O 3.41Å; F123-V147 HydrophobicContact CE2-CB 4.2Å; F123-V147 HydrophobicContact CE2-CG2 4.31Å; F123-V147 PolarHBondContact N-O 3.48Å; I126-V147 HydrophobicContact CD1-CG2 3.92Å; E143-V147 PolarHBondContact O-N 2.73Å; E143-V147 VanDerWaalsContact O-N 3.17Å; L144-V147 PolarHBondContact O-N 3.28Å; S145-V147 PolarHBondContact O-N 3.05Å |
| 148 | L | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 134.8 | 176.6 | -168.7 | 63.6 | 0 | 0 | 0 | 110.2 | I126 L144 S145 G152 M154 F192 K214 | I126-L148 HydrophobicContact CB-CD1 4.45Å; I126-L148 HydrophobicContact CD1-CB 3.79Å; I126-L148 HydrophobicContact CD1-CD1 4.02Å; I126-L148 HydrophobicContact CD1-CD2 4.4Å; I126-L148 HydrophobicContact CD1-CG 4.31Å; I126-L148 HydrophobicContact CG1-CD1 3.89Å; L144-L148 VanDerWaalsContact O-CB 3.25Å; L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 PolarHBondContact O-N 2.85Å; L144-L148 VanDerWaalsContact O-N 3.08Å; S145-L148 PolarHBondContact O-N 3.27Å; L148-G152 WeakPolarHBondContact CD2-O 3.43Å; L148-M154 HydrophobicContact CD2-CB 4.37Å; L148-F192 HydrophobicContact CD2-CE1 3.95Å; L148-K214 HydrophobicContact CB-CD 4.35Å; L148-K214 HydrophobicContact CD2-CB 4.03Å; L148-K214 HydrophobicContact CG-CB 4.34Å; L148-K214 WeakPolarHBondContact O-CD 3.33Å; L148-K214 WeakPolarHBondContact O-CE 3.33Å; L148-K214 PolarHBondContact O-NZ 2.93Å |
| 149 | K | 93.2 | Very high | 89.7 | Confident | 64 Ų | 64 | 28.3 Ų | 28.3 | 28% | 0.278 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 155.6 | 174.6 | -72.5 | 171.6 | -171.5 | 172.8 | 0 | 111.7 | D121 F123 D124 E151 G152 K214 | D121-K149 HydrophobicContact CB-CG 4.14Å; D121-K149 WeakPolarHBondContact O-CE 3.38Å; D121-K149 WeakPolarHBondContact O-CG 3.48Å; F123-K149 WeakPolarHBondContact O-CB 3.33Å; F123-K149 WeakPolarHBondContact O-CG 3.34Å; F123-K149 PolarHBondContact O-N 3.06Å; D124-K149 VanDerWaalsContact OD1-CD 3.28Å; D124-K149 WeakPolarHBondContact OD1-CD 3.3Å; D124-K149 IonicContact OD1-NZ 2.82Å; D124-K149 PolarHBondContact OD1-NZ 3.38Å; D124-K149 IonicContact OD2-NZ 3.51Å; D124-K149 PolarHBondContact OD2-NZ 3.01Å; D124-K149 VanDerWaalsContact OD2-NZ 3.09Å; K149-E151 PolarHBondContact O-N 3.34Å; K149-G152 WeakPolarHBondContact O-CA 3.42Å; K149-G152 PolarHBondContact O-N 3.03Å; K149-K214 WeakPolarHBondContact O-CD 3.49Å |
| 150 | P | 89.4 | Confident | 90.4 | Very high | 50 Ų | 50 | 26.6 Ų | 26.6 | 33% | 0.325 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 137.6 | 164.1 | -22.6 | 34.4 | 0 | 0 | 0 | 110.2 | D121 G152 | D121-P150 WeakPolarHBondContact OD1-CD 3.37Å; P150-G152 PolarHBondContact O-N 3.38Å |
| 151 | E | 89.9 | Confident | 90.4 | Very high | 141 Ų | 141 | 31.8 Ų | 31.8 | 66% | 0.659 | 15% | 0.153 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 63 | -3.2 | -170.9 | -50.2 | -173.5 | 162.3 | 0 | 0 | 115.7 | K149 K214 V216 | K149-E151 PolarHBondContact O-N 3.34Å; E151-K214 VanDerWaalsContact CA-O 3.31Å; E151-K214 WeakPolarHBondContact CA-O 3.48Å; E151-K214 PolarHBondContact N-O 3.23Å; E151-V216 HydrophobicContact CG-CG2 3.57Å |
| 152 | G | 93.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 7% | 0.072 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 149.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D124 L148 K149 P150 S213 K214 | D124-G152 WeakPolarHBondContact O-CA 3.39Å; L148-G152 WeakPolarHBondContact CD2-O 3.43Å; K149-G152 WeakPolarHBondContact O-CA 3.42Å; K149-G152 PolarHBondContact O-N 3.03Å; P150-G152 PolarHBondContact O-N 3.38Å; G152-S213 WeakPolarHBondContact O-CA 3.43Å; G152-K214 PolarHBondContact O-N 3.16Å |
| 153 | K | 94.2 | Very high | 90.4 | Very high | 93 Ų | 93 | 29.8 Ų | 29.8 | 40% | 0.404 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.5 | -170.7 | -70.3 | 171.3 | -174.7 | 169.3 | 0 | 111.3 | D124 W125 I126 A212 | D124-K153 PolarHBondContact O-N 3.14Å; W125-K153 CarbonylContact C-O 3.59Å; W125-K153 VanDerWaalsContact CA-O 3.28Å; W125-K153 WeakPolarHBondContact CA-O 3.33Å; W125-K153 HydrophobicContact CD2-CB 4.2Å; W125-K153 HydrophobicContact CE3-CB 3.5Å; W125-K153 HydrophobicContact CH2-CB 3.95Å; W125-K153 HydrophobicContact CH2-CD 3.42Å; W125-K153 VanDerWaalsContact CH2-CD 3.42Å; W125-K153 HydrophobicContact CH2-CG 4.31Å; W125-K153 HydrophobicContact CZ2-CD 4.02Å; W125-K153 HydrophobicContact CZ3-CB 3.36Å; W125-K153 HydrophobicContact CZ3-CD 3.73Å; W125-K153 HydrophobicContact CZ3-CG 4.18Å; I126-K153 PolarHBondContact N-O 3.44Å; K153-A212 WeakPolarHBondContact CA-O 3.5Å |
| 154 | M | 92.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 137.4 | 173.8 | -173.9 | 170.7 | 71 | 0 | 0 | 110.5 | I126 L144 L148 Y183 L187 F192 F211 A212 | I126-M154 HydrophobicContact CB-CB 4.26Å; I126-M154 HydrophobicContact CB-CG 3.9Å; I126-M154 HydrophobicContact CB-SD 4.36Å; I126-M154 HydrophobicContact CG2-CG 3.78Å; I126-M154 HydrophobicContact CG2-SD 3.86Å; I126-M154 CarbonylContact O-C 3.56Å; I126-M154 WeakPolarHBondContact O-CA 3.38Å; L144-M154 HydrophobicContact CB-SD 4.37Å; L144-M154 HydrophobicContact CD1-SD 3.78Å; L148-M154 HydrophobicContact CD2-CB 4.37Å; M154-Y183 WeakPolarHBondContact CE-OH 3.4Å; M154-L187 HydrophobicContact CE-CD1 4.21Å; M154-L187 HydrophobicContact CE-CD2 3.2Å; M154-L187 HydrophobicContact CE-CG 4.35Å; M154-F192 HydrophobicContact CB-CE1 4.49Å; M154-F192 HydrophobicContact CE-CE1 4.15Å; M154-F192 HydrophobicContact CE-CZ 4.12Å; M154-F192 HydrophobicContact SD-CZ 4.47Å; M154-F211 WeakPolarHBondContact O-CA 3.43Å; M154-A212 PolarHBondContact N-O 3.02Å; M154-A212 PolarHBondContact O-N 3.12Å |
| 155 | V | 93.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.3 | 176.3 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | L47 W125 I126 F127 H128 T209 I210 F211 | L47-V155 HydrophobicContact CD2-CB 3.74Å; L47-V155 HydrophobicContact CD2-CG1 3.88Å; L47-V155 HydrophobicContact CD2-CG2 3.4Å; L47-V155 VanDerWaalsContact CD2-CG2 3.4Å; W125-V155 HydrophobicContact CE3-CG2 4.44Å; W125-V155 HydrophobicContact CZ3-CG2 4.18Å; I126-V155 PolarHBondContact O-N 2.83Å; F127-V155 WeakPolarHBondContact CA-O 3.5Å; F127-V155 HydrophobicContact CD2-CB 4.38Å; F127-V155 WeakPolarHBondContact CD2-O 3.36Å; H128-V155 PolarHBondContact N-O 2.86Å; V155-T209 HydrophobicContact CG1-CG2 4.33Å; V155-I210 WeakPolarHBondContact CA-O 3.3Å; V155-F211 HydrophobicContact CB-CD1 4.37Å; V155-F211 HydrophobicContact CB-CE1 4.37Å; V155-F211 HydrophobicContact CG1-CD1 4.24Å; V155-F211 HydrophobicContact CG1-CE1 4.01Å; V155-F211 HydrophobicContact CG1-CZ 4.15Å; V155-F211 HydrophobicContact CG2-CD1 3.33Å; V155-F211 HydrophobicContact CG2-CE1 3.41Å; V155-F211 VanDerWaalsContact CG2-CE1 3.41Å; V155-F211 HydrophobicContact CG2-CG 4.22Å; V155-F211 HydrophobicContact CG2-CZ 4.36Å |
| 156 | T | 92.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.3 | 172.7 | -52.4 | 0 | 0 | 0 | 0 | 109.5 | H128 F132 Y183 T209 I210 | H128-T156 VanDerWaalsContact CE1-CG2 3.4Å; H128-T156 WeakPolarHBondContact CE1-CG2 3.41Å; H128-T156 PolarHBondContact CE1-OG1 2.91Å; H128-T156 WeakPolarHBondContact ND1-CG2 3.44Å; H128-T156 PolarHBondContact ND1-OG1 3.27Å; H128-T156 PolarHBondContact NE2-OG1 3.33Å; H128-T156 CarbonylContact O-C 3.6Å; H128-T156 VanDerWaalsContact O-CA 3.24Å; H128-T156 WeakPolarHBondContact O-CA 3.32Å; F132-T156 HydrophobicContact CB-CG2 4.46Å; F132-T156 HydrophobicContact CD1-CG2 3.73Å; F132-T156 HydrophobicContact CE1-CG2 4.47Å; F132-T156 HydrophobicContact CG-CG2 4.44Å; T156-Y183 HydrophobicContact CG2-CE1 4.11Å; T156-Y183 VanDerWaalsContact OG1-CE1 3.32Å; T156-Y183 WeakPolarHBondContact OG1-CE1 3.23Å; T156-Y183 PolarHBondContact OG1-OH 3.33Å; T156-T209 CarbonylContact O-C 3.57Å; T156-T209 WeakPolarHBondContact O-CA 3.44Å; T156-I210 PolarHBondContact N-O 3.46Å; T156-I210 PolarHBondContact O-N 3.37Å |
| 157 | A | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 146.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111 | V39 A43 F127 H128 N129 D130 E208 T209 | V39-A157 HydrophobicContact CG1-CB 4.25Å; A43-A157 HydrophobicContact CB-CB 3.53Å; F127-A157 HydrophobicContact CE2-CB 4.04Å; F127-A157 HydrophobicContact CZ-CB 4.33Å; H128-A157 PolarHBondContact O-N 3.44Å; N129-A157 CarbonylContact C-O 3.52Å; N129-A157 WeakPolarHBondContact CA-O 3.49Å; N129-A157 HydrophobicContact CB-CB 4.19Å; N129-A157 WeakPolarHBondContact OD1-CB 3.48Å; N129-A157 PolarHBondContact OD1-O 2.83Å; D130-A157 PolarHBondContact N-O 3.43Å; A157-E208 CarbonylContact C-O 3.56Å; A157-T209 HydrophobicContact CB-CG2 4.43Å |
| 158 | L | 90.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 165.9 | 176.4 | 67.1 | 145.1 | 0 | 0 | 0 | 112.1 | D130 F132 L160 P180 F197 F207 E208 I210 | D130-L158 WeakPolarHBondContact OD1-CA 3.41Å; F132-L158 HydrophobicContact CE1-CB 3.9Å; F132-L158 HydrophobicContact CE1-CD1 3.91Å; F132-L158 HydrophobicContact CE1-CD2 4.39Å; F132-L158 HydrophobicContact CE1-CG 4.29Å; F132-L158 HydrophobicContact CZ-CD1 4.12Å; L158-L160 HydrophobicContact CD1-CD2 4.17Å; L158-P180 HydrophobicContact CD1-CB 4.12Å; L158-P180 HydrophobicContact CD1-CG 3.53Å; L158-F197 HydrophobicContact CD1-CE2 4.5Å; L158-F197 HydrophobicContact CD2-CE2 4.34Å; L158-F207 WeakPolarHBondContact O-CA 2.98Å; L158-F207 WeakPolarHBondContact O-CB 3.25Å; L158-E208 HydrophobicContact CD2-CB 4.19Å; L158-E208 WeakPolarHBondContact CD2-O 3.45Å; L158-E208 HydrophobicContact CG-CB 4.12Å; L158-E208 PolarHBondContact N-O 3.05Å; L158-E208 PolarHBondContact O-N 3.46Å; L158-I210 HydrophobicContact CD2-CD1 4.27Å; L158-I210 HydrophobicContact CD2-CG1 4.31Å |
| 159 | S | 87.8 | Confident | 88.9 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | trans | -118.8 | 113.9 | 166.5 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | D130 E161 R162 L163 E208 | D130-S159 PolarHBondContact OD1-N 3.49Å; S159-E161 VanDerWaalsContact C-N 3.26Å; S159-E161 PolarHBondContact O-N 2.92Å; S159-R162 WeakPolarHBondContact O-CB 3.34Å; S159-R162 PolarHBondContact O-N 3.27Å; S159-R162 VanDerWaalsContact O-N 3.1Å; S159-R162 PolarHBondContact OG-N 2.74Å; S159-L163 PolarHBondContact O-N 3.31Å; S159-E208 WeakPolarHBondContact CA-OE2 3.21Å | ||
| 160 | L | 86.9 | Confident | 88.3 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -37.6 | 175.7 | -78.5 | -178.9 | 0 | 0 | 0 | 112.1 | L158 R162 L163 K164 P180 F197 E208 | L158-L160 HydrophobicContact CD1-CD2 4.17Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 2.92Å; L160-L163 HydrophobicContact CD2-CD2 4.41Å; L160-L163 PolarHBondContact O-N 3.36Å; L160-K164 WeakPolarHBondContact O-CB 3.4Å; L160-K164 VanDerWaalsContact O-CG 3.29Å; L160-K164 WeakPolarHBondContact O-CG 3.47Å; L160-K164 PolarHBondContact O-N 2.93Å; L160-P180 HydrophobicContact CD2-CG 3.75Å; L160-F197 HydrophobicContact CD1-CE1 4.39Å; L160-F197 HydrophobicContact CD1-CZ 3.96Å; L160-F197 HydrophobicContact CD2-CZ 4.46Å; L160-F197 HydrophobicContact CG-CZ 4.24Å; L160-E208 WeakPolarHBondContact CB-OE2 3.42Å; L160-E208 HydrophobicContact CD1-CG 3.94Å; L160-E208 WeakPolarHBondContact CD1-OE1 3.27Å; L160-E208 VanDerWaalsContact CG-CD 3.45Å; L160-E208 HydrophobicContact CG-CG 4.02Å; L160-E208 WeakPolarHBondContact CG-OE2 2.96Å; L160-E208 PolarHBondContact N-OE2 2.89Å |
| 161 | E | 86 | Confident | 88 | Confident | 111 Ų | 111 | 45.7 Ų | 45.7 | 52% | 0.519 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 174.4 | -169.1 | -156.7 | 130.2 | 0 | 0 | 110.6 | R35 S159 W165 | R35-E161 IonicContact CZ-OE1 2.63Å; R35-E161 IonicContact CZ-OE2 3.46Å; R35-E161 IonicContact NH1-OE1 2.67Å; R35-E161 PolarHBondContact NH1-OE1 3.08Å; R35-E161 VanDerWaalsContact NH2-CD 3.3Å; R35-E161 IonicContact NH2-OE1 3.15Å; R35-E161 PolarHBondContact NH2-OE1 3.03Å; R35-E161 IonicContact NH2-OE2 2.69Å; R35-E161 PolarHBondContact NH2-OE2 3.46Å; S159-E161 VanDerWaalsContact C-N 3.26Å; S159-E161 PolarHBondContact O-N 2.92Å; E161-W165 WeakPolarHBondContact O-CB 3.33Å; E161-W165 PolarHBondContact O-N 3.31Å |
| 162 | R | 84.2 | Confident | 87.5 | Confident | 14 Ų | 14 | 39.3 Ų | 39.3 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 176.6 | -173.5 | 179.9 | -179.8 | -123.2 | 0.5 | 111.6 | S36 D130 Y133 Y134 S159 L160 K164 W165 L166 | S36-R162 PolarHBondContact OG-NH1 2.68Å; S36-R162 VanDerWaalsContact OG-NH1 3.08Å; D130-R162 VanDerWaalsContact CB-NH1 3.26Å; D130-R162 IonicContact OD1-NH1 3.66Å; D130-R162 WeakPolarHBondContact OD2-CD 3.41Å; D130-R162 IonicContact OD2-CZ 3.07Å; D130-R162 IonicContact OD2-NE 3.49Å; D130-R162 IonicContact OD2-NH1 2.76Å; D130-R162 PolarHBondContact OD2-NH1 3Å; Y133-R162 PolarHBondContact OH-NH1 3.28Å; Y134-R162 PolarHBondContact OH-NH2 3.25Å; S159-R162 WeakPolarHBondContact O-CB 3.34Å; S159-R162 PolarHBondContact O-N 3.27Å; S159-R162 VanDerWaalsContact O-N 3.1Å; S159-R162 PolarHBondContact OG-N 2.74Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 2.92Å; R162-K164 PolarHBondContact O-N 3.14Å; R162-W165 WeakPolarHBondContact O-CB 3.32Å; R162-W165 PolarHBondContact O-N 3.44Å; R162-W165 VanDerWaalsContact O-N 3.16Å; R162-L166 HydrophobicContact CG-CD1 4.11Å; R162-L166 HydrophobicContact CG-CG 4.37Å; R162-L166 VanDerWaalsContact O-CG 3.32Å; R162-L166 WeakPolarHBondContact O-CG 3.47Å; R162-L166 PolarHBondContact O-N 3.24Å |
| 163 | L | 86.5 | Confident | 86.5 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 178.3 | -175.6 | 68.3 | 0 | 0 | 0 | 111.1 | Y133 S159 L160 W165 L166 Q167 L172 P180 | Y133-L163 HydrophobicContact CD1-CD1 3.98Å; Y133-L163 HydrophobicContact CE1-CD1 4.16Å; Y133-L163 HydrophobicContact CG-CD1 4.29Å; S159-L163 PolarHBondContact O-N 3.31Å; L160-L163 HydrophobicContact CD2-CD2 4.41Å; L160-L163 PolarHBondContact O-N 3.36Å; L163-W165 VanDerWaalsContact C-N 3.32Å; L163-W165 PolarHBondContact O-N 2.95Å; L163-L166 PolarHBondContact O-N 3.37Å; L163-Q167 WeakPolarHBondContact O-CB 3.47Å; L163-Q167 WeakPolarHBondContact O-CG 3.32Å; L163-Q167 PolarHBondContact O-N 3.29Å; L163-L172 HydrophobicContact CD1-CD1 3.58Å; L163-P180 HydrophobicContact CD2-CG 3.89Å |
| 164 | K | 86.6 | Confident | 85.4 | Confident | 138 Ų | 138 | 41 Ų | 41 | 60% | 0.6 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -59.5 | -42.7 | 174.1 | -73.1 | 174.4 | -177.8 | 178.6 | 0 | 111.6 | L160 R162 Q167 S168 | L160-K164 WeakPolarHBondContact O-CB 3.4Å; L160-K164 VanDerWaalsContact O-CG 3.29Å; L160-K164 WeakPolarHBondContact O-CG 3.47Å; L160-K164 PolarHBondContact O-N 2.93Å; R162-K164 PolarHBondContact O-N 3.14Å; K164-Q167 PolarHBondContact O-N 2.78Å; K164-S168 WeakPolarHBondContact O-CB 3.39Å; K164-S168 PolarHBondContact O-N 3.25Å; K164-S168 PolarHBondContact O-OG 2.94Å |
| 165 | W | 85.7 | Confident | 84.4 | Confident | 102 Ų | 102 | 41.8 Ų | 41.8 | 39% | 0.386 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.4 | -176.8 | 94.7 | 0 | 0 | 0 | 112.1 | L32 E161 R162 L163 S168 R169 L171 | L32-W165 HydrophobicContact CD2-CH2 4.31Å; L32-W165 HydrophobicContact CD2-CZ3 3.92Å; E161-W165 WeakPolarHBondContact O-CB 3.33Å; E161-W165 PolarHBondContact O-N 3.31Å; R162-W165 WeakPolarHBondContact O-CB 3.32Å; R162-W165 PolarHBondContact O-N 3.44Å; R162-W165 VanDerWaalsContact O-N 3.16Å; L163-W165 VanDerWaalsContact C-N 3.32Å; L163-W165 PolarHBondContact O-N 2.95Å; W165-S168 PolarHBondContact O-N 3.23Å; W165-S168 PolarHBondContact O-OG 3.46Å; W165-R169 VanDerWaalsContact CZ2-CD 3.48Å; W165-R169 PolarHBondContact O-N 3.25Å; W165-L171 HydrophobicContact CH2-CD1 4.2Å; W165-L171 HydrophobicContact CZ3-CD1 3.8Å |
| 166 | L | 86.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 177.2 | -69.9 | 170.2 | 0 | 0 | 0 | 112 | L16 Y133 Y134 R162 L163 R169 N170 L171 L172 | L16-L166 HydrophobicContact CD1-CD2 3.8Å; Y133-L166 HydrophobicContact CE2-CD1 3.81Å; Y134-L166 WeakPolarHBondContact OH-CD1 3.37Å; R162-L166 HydrophobicContact CG-CD1 4.11Å; R162-L166 HydrophobicContact CG-CG 4.37Å; R162-L166 VanDerWaalsContact O-CG 3.32Å; R162-L166 WeakPolarHBondContact O-CG 3.47Å; R162-L166 PolarHBondContact O-N 3.24Å; L163-L166 PolarHBondContact O-N 3.37Å; L166-R169 PolarHBondContact O-N 3.42Å; L166-N170 PolarHBondContact O-N 3.44Å; L166-L171 HydrophobicContact CB-CB 4.49Å; L166-L171 HydrophobicContact CD2-CB 3.98Å; L166-L171 HydrophobicContact CD2-CD1 3.92Å; L166-L171 PolarHBondContact O-N 3.43Å; L166-L172 HydrophobicContact CB-CD1 4.32Å; L166-L172 HydrophobicContact CB-CD2 3.94Å; L166-L172 HydrophobicContact CB-CG 3.88Å; L166-L172 HydrophobicContact CD1-CD2 3.99Å |
| 167 | Q | 85.1 | Confident | 82.5 | Confident | 92 Ų | 92 | 49 Ų | 49 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 174.9 | -74.8 | 177.6 | -14.4 | 0 | 0 | 111.7 | L163 K164 R169 N170 L172 R178 | L163-Q167 WeakPolarHBondContact O-CB 3.47Å; L163-Q167 WeakPolarHBondContact O-CG 3.32Å; L163-Q167 PolarHBondContact O-N 3.29Å; K164-Q167 PolarHBondContact O-N 2.78Å; Q167-R169 PolarHBondContact O-N 3.19Å; Q167-R169 VanDerWaalsContact O-N 3.09Å; Q167-N170 PolarHBondContact O-N 3.46Å; Q167-L172 HydrophobicContact CG-CD1 3.53Å; Q167-R178 PolarHBondContact NE2-O 3.1Å |
| 168 | S | 84.6 | Confident | 81.9 | Confident | 55 Ų | 55 | 56.6 Ų | 56.6 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.6 | -24.8 | -179.1 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | K164 W165 | K164-S168 WeakPolarHBondContact O-CB 3.39Å; K164-S168 PolarHBondContact O-N 3.25Å; K164-S168 PolarHBondContact O-OG 2.94Å; W165-S168 PolarHBondContact O-N 3.23Å; W165-S168 PolarHBondContact O-OG 3.46Å |
| 169 | R | 84.5 | Confident | 81.6 | Confident | 66 Ų | 66 | 60.1 Ų | 60.1 | 25% | 0.249 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 7.3 | 178.5 | -66.6 | -177.9 | 176.9 | -100 | 3.4 | 113.9 | W165 L166 Q167 L171 | W165-R169 VanDerWaalsContact CZ2-CD 3.48Å; W165-R169 PolarHBondContact O-N 3.25Å; L166-R169 PolarHBondContact O-N 3.42Å; Q167-R169 PolarHBondContact O-N 3.19Å; Q167-R169 VanDerWaalsContact O-N 3.09Å; R169-L171 HydrophobicContact CB-CD1 3.94Å; R169-L171 HydrophobicContact CB-CG 3.88Å; R169-L171 PolarHBondContact O-N 3.44Å |
| 170 | N | 81.9 | Confident | 81.6 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 36 | -179.4 | -157.1 | -0.5 | 0 | 0 | 0 | 113.2 | L166 Q167 R173 | L166-N170 PolarHBondContact O-N 3.44Å; Q167-N170 PolarHBondContact O-N 3.46Å; N170-R173 VanDerWaalsContact CG-NE 3.32Å; N170-R173 PolarHBondContact ND2-NE 3.04Å; N170-R173 VanDerWaalsContact ND2-NE 3.17Å; N170-R173 PolarHBondContact ND2-NH2 3.11Å; N170-R173 WeakPolarHBondContact O-CG 3.19Å; N170-R173 VanDerWaalsContact OD1-CG 3.29Å; N170-R173 WeakPolarHBondContact OD1-CG 3.43Å; N170-R173 PolarHBondContact OD1-NE 3.09Å |
| 171 | L | 83 | Confident | 81.5 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | trans | -90.5 | -10.1 | -178.3 | -66.9 | 176.2 | 0 | 0 | 0 | 113.3 | L4 A9 L12 S13 L16 W165 L166 R169 R173 | L4-L171 HydrophobicContact CD1-CD2 4.21Å; A9-L171 HydrophobicContact CB-CD2 4.36Å; L12-L171 HydrophobicContact CB-CD2 3.79Å; L12-L171 HydrophobicContact CD1-CD2 4.46Å; S13-L171 VanDerWaalsContact CB-O 3.23Å; S13-L171 WeakPolarHBondContact CB-O 3.48Å; S13-L171 PolarHBondContact OG-O 3.09Å; L16-L171 HydrophobicContact CD1-CB 3.96Å; L16-L171 HydrophobicContact CD1-CD1 4.33Å; W165-L171 HydrophobicContact CH2-CD1 4.2Å; W165-L171 HydrophobicContact CZ3-CD1 3.8Å; L166-L171 HydrophobicContact CB-CB 4.49Å; L166-L171 HydrophobicContact CD2-CB 3.98Å; L166-L171 HydrophobicContact CD2-CD1 3.92Å; L166-L171 PolarHBondContact O-N 3.43Å; R169-L171 HydrophobicContact CB-CD1 3.94Å; R169-L171 HydrophobicContact CB-CG 3.88Å; R169-L171 PolarHBondContact O-N 3.44Å; L171-R173 VanDerWaalsContact C-N 3.3Å; L171-R173 PolarHBondContact O-N 3.11Å | ||
| 172 | L | 78.2 | Confident | 81.5 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | trans | -91.1 | 28 | 175.9 | -60.3 | -177.3 | 0 | 0 | 0 | 113.3 | Y133 Y134 L163 L166 Q167 G174 A175 R178 | Y133-L172 HydrophobicContact CD2-CD2 3.5Å; Y133-L172 HydrophobicContact CE2-CD2 3.99Å; Y133-L172 HydrophobicContact CG-CD2 4.25Å; Y134-L172 HydrophobicContact CE1-CD2 4.3Å; L163-L172 HydrophobicContact CD1-CD1 3.58Å; L166-L172 HydrophobicContact CB-CD1 4.32Å; L166-L172 HydrophobicContact CB-CD2 3.94Å; L166-L172 HydrophobicContact CB-CG 3.88Å; L166-L172 HydrophobicContact CD1-CD2 3.99Å; Q167-L172 HydrophobicContact CG-CD1 3.53Å; L172-G174 PolarHBondContact O-N 3.41Å; L172-A175 HydrophobicContact CB-CB 3.98Å; L172-A175 WeakPolarHBondContact O-CB 3.27Å; L172-A175 PolarHBondContact O-N 3Å; L172-R178 HydrophobicContact CB-CG 4.48Å | ||
| 173 | R | 72.7 | Confident | 81.7 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 123.7 | -179.5 | -75.9 | 179.6 | 178.8 | -158.8 | 0.5 | 110.8 | E6 S13 K17 N170 L171 A175 | E6-R173 IonicContact OE1-CZ 2.88Å; E6-R173 VanDerWaalsContact OE1-CZ 3.3Å; E6-R173 IonicContact OE1-NH1 2.89Å; E6-R173 PolarHBondContact OE1-NH1 3.39Å; E6-R173 IonicContact OE1-NH2 3.96Å; E6-R173 PolarHBondContact OE1-NH2 2.86Å; S13-R173 PolarHBondContact OG-N 3.45Å; S13-R173 PolarHBondContact OG-O 3.15Å; K17-R173 VanDerWaalsContact CE-O 3.26Å; K17-R173 WeakPolarHBondContact CE-O 3.47Å; K17-R173 PolarHBondContact NZ-O 2.98Å; N170-R173 VanDerWaalsContact CG-NE 3.32Å; N170-R173 PolarHBondContact ND2-NE 3.04Å; N170-R173 VanDerWaalsContact ND2-NE 3.17Å; N170-R173 PolarHBondContact ND2-NH2 3.11Å; N170-R173 WeakPolarHBondContact O-CG 3.19Å; N170-R173 VanDerWaalsContact OD1-CG 3.29Å; N170-R173 WeakPolarHBondContact OD1-CG 3.43Å; N170-R173 PolarHBondContact OD1-NE 3.09Å; L171-R173 VanDerWaalsContact C-N 3.3Å; L171-R173 PolarHBondContact O-N 3.11Å; R173-A175 VanDerWaalsContact C-N 3.26Å; R173-A175 PolarHBondContact O-N 3.36Å |
| 174 | G | 70.5 | Confident | 81.7 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 63% | 0.629 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 22.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K17 L172 | K17-G174 PolarHBondContact NZ-O 2.91Å; L172-G174 PolarHBondContact O-N 3.41Å |
| 175 | A | 72.3 | Confident | 81.5 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | trans | -65 | 143.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y133 L172 R173 R178 | Y133-A175 WeakPolarHBondContact O-CA 3.2Å; Y133-A175 WeakPolarHBondContact O-CB 3.37Å; L172-A175 HydrophobicContact CB-CB 3.98Å; L172-A175 WeakPolarHBondContact O-CB 3.27Å; L172-A175 PolarHBondContact O-N 3Å; R173-A175 VanDerWaalsContact C-N 3.26Å; R173-A175 PolarHBondContact O-N 3.36Å; A175-R178 HydrophobicContact CB-CG 4.04Å | ||
| 176 | F | 70.4 | Confident | 81.5 | Confident | 129 Ų | 129 | 53.4 Ų | 53.4 | 57% | 0.566 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -71.3 | -50.6 | 178.1 | -73.5 | -78 | 0 | 0 | 0 | 111.2 | Y133 | Y133-F176 PolarHBondContact O-N 3.2Š|
| 177 | F | 77.4 | Confident | 81.7 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 11% | 0.114 | 27% | 0.274 | C | S | . | . | trans | -117.1 | 124.2 | 178.2 | -57.4 | -64.4 | 0 | 0 | 0 | 108.7 | F132 Y133 L136 L141 D182 Y183 A186 | F132-F177 HydrophobicContact CD2-CB 3.89Å; F132-F177 HydrophobicContact CE2-CB 4.2Å; Y133-F177 VanDerWaalsContact CA-O 3.26Å; Y133-F177 WeakPolarHBondContact CA-O 2.92Å; Y133-F177 WeakPolarHBondContact CB-O 3.41Å; L136-F177 WeakPolarHBondContact O-CD2 3.34Å; L136-F177 WeakPolarHBondContact O-CE2 3.19Å; L141-F177 HydrophobicContact CD1-CE2 4.49Å; F177-D182 HydrophobicContact CD1-CB 3.87Å; F177-Y183 AromaticContact CD2-CD2 3.61Å; F177-Y183 HydrophobicContact CD2-CD2 3.61Å; F177-Y183 HydrophobicContact CD2-CG 4.41Å; F177-Y183 AromaticContact CE2-CD2 3.83Å; F177-Y183 HydrophobicContact CE2-CD2 3.83Å; F177-Y183 HydrophobicContact CG-CD2 4.27Å; F177-A186 HydrophobicContact CE1-CB 3.51Å; F177-A186 HydrophobicContact CE2-CB 4.2Å; F177-A186 HydrophobicContact CZ-CB 3.3Å | ||
| 178 | R | 79.9 | Confident | 81.7 | Confident | 159 Ų | 159 | 54.4 Ų | 54.4 | 60% | 0.6 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -102.5 | -14.4 | 177.3 | -69.9 | -179.8 | -66.5 | -158.3 | -2.3 | 112.3 | Q167 L172 A175 | Q167-R178 PolarHBondContact NE2-O 3.1Å; L172-R178 HydrophobicContact CB-CG 4.48Å; A175-R178 HydrophobicContact CB-CG 4.04Å |
| 179 | N | 82.8 | Confident | 81.5 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -121.3 | 136.9 | 178.1 | -174.3 | -22.8 | 0 | 0 | 0 | 108.4 | L181 D182 Y183 | N179-L181 PolarHBondContact O-N 3.33Å; N179-L181 WeakPolarHBondContact OD1-CB 3.46Å; N179-L181 PolarHBondContact OD1-N 3.49Å; N179-D182 WeakPolarHBondContact CB-OD2 3.14Å; N179-D182 PolarHBondContact O-N 2.81Å; N179-D182 VanDerWaalsContact O-N 3.15Å; N179-Y183 PolarHBondContact O-N 3.15Å |
| 180 | P | 87.4 | Confident | 81.3 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58 | -29.7 | 173.7 | -21.6 | 33 | 0 | 0 | 0 | 112.7 | F132 L158 L160 L163 Y183 M184 F197 I210 | F132-P180 HydrophobicContact CZ-CB 4.27Å; F132-P180 HydrophobicContact CZ-CG 4.05Å; L158-P180 HydrophobicContact CD1-CB 4.12Å; L158-P180 HydrophobicContact CD1-CG 3.53Å; L160-P180 HydrophobicContact CD2-CG 3.75Å; L163-P180 HydrophobicContact CD2-CG 3.89Å; P180-Y183 WeakPolarHBondContact O-CB 3.34Å; P180-Y183 PolarHBondContact O-N 3.17Å; P180-M184 WeakPolarHBondContact O-CG 3.28Å; P180-M184 PolarHBondContact O-N 3.48Å; P180-F197 HydrophobicContact CB-CD2 4.4Å; P180-F197 HydrophobicContact CB-CE2 3.83Å; P180-F197 HydrophobicContact CG-CE2 4.33Å; P180-I210 HydrophobicContact CB-CD1 3.92Å |
| 181 | L | 85.6 | Confident | 81.1 | Confident | 96 Ų | 96 | 56.1 Ų | 56.1 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.9 | -173.4 | 63.4 | 0 | 0 | 0 | 112.4 | N179 Y183 M184 I185 | N179-L181 PolarHBondContact O-N 3.33Å; N179-L181 WeakPolarHBondContact OD1-CB 3.46Å; N179-L181 PolarHBondContact OD1-N 3.49Å; L181-Y183 PolarHBondContact O-N 3.13Å; L181-M184 PolarHBondContact O-N 2.91Å; L181-I185 HydrophobicContact CG-CD1 4.16Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 3.43Å |
| 182 | D | 85.2 | Confident | 81.4 | Confident | 75 Ų | 75 | 56.2 Ų | 56.2 | 40% | 0.401 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 177 | -58.3 | -26.6 | 0 | 0 | 0 | 110.9 | F177 N179 A186 | F177-D182 HydrophobicContact CD1-CB 3.87Å; N179-D182 WeakPolarHBondContact CB-OD2 3.14Å; N179-D182 PolarHBondContact O-N 2.81Å; N179-D182 VanDerWaalsContact O-N 3.15Å; D182-A186 WeakPolarHBondContact O-CB 3.36Å; D182-A186 PolarHBondContact O-N 2.9Å |
| 183 | Y | 88.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.5 | -43.8 | 176.4 | 178.8 | -108.4 | 0 | 0 | 0 | 111.6 | H128 F132 L136 L141 M154 T156 F177 N179 P180 L181 I185 A186 L187 I210 | H128-Y183 AromaticContact CE1-CZ 3.79Å; H128-Y183 PolarHBondContact CE1-OH 3.04Å; H128-Y183 PolarHBondContact NE2-OH 3.44Å; F132-Y183 HydrophobicContact CB-CD1 4.22Å; F132-Y183 HydrophobicContact CB-CD2 3.65Å; F132-Y183 HydrophobicContact CB-CE1 4.22Å; F132-Y183 HydrophobicContact CB-CE2 3.62Å; F132-Y183 HydrophobicContact CB-CG 3.95Å; F132-Y183 HydrophobicContact CD2-CD1 4.25Å; F132-Y183 HydrophobicContact CD2-CD2 4.02Å; F132-Y183 AromaticContact CD2-CG 3.7Å; F132-Y183 HydrophobicContact CD2-CG 3.7Å; F132-Y183 HydrophobicContact CE2-CG 4.46Å; F132-Y183 HydrophobicContact CG-CD1 4.17Å; F132-Y183 HydrophobicContact CG-CD2 4.14Å; F132-Y183 HydrophobicContact CG-CE2 4.5Å; F132-Y183 AromaticContact CG-CG 3.96Å; F132-Y183 HydrophobicContact CG-CG 3.96Å; L136-Y183 HydrophobicContact CD1-CE2 4.44Å; L141-Y183 HydrophobicContact CD1-CE2 4.41Å; L141-Y183 HydrophobicContact CD2-CE2 3.7Å; M154-Y183 WeakPolarHBondContact CE-OH 3.4Å; T156-Y183 HydrophobicContact CG2-CE1 4.11Å; T156-Y183 VanDerWaalsContact OG1-CE1 3.32Å; T156-Y183 WeakPolarHBondContact OG1-CE1 3.23Å; T156-Y183 PolarHBondContact OG1-OH 3.33Å; F177-Y183 AromaticContact CD2-CD2 3.61Å; F177-Y183 HydrophobicContact CD2-CD2 3.61Å; F177-Y183 HydrophobicContact CD2-CG 4.41Å; F177-Y183 AromaticContact CE2-CD2 3.83Å; F177-Y183 HydrophobicContact CE2-CD2 3.83Å; F177-Y183 HydrophobicContact CG-CD2 4.27Å; N179-Y183 PolarHBondContact O-N 3.15Å; P180-Y183 WeakPolarHBondContact O-CB 3.34Å; P180-Y183 PolarHBondContact O-N 3.17Å; L181-Y183 PolarHBondContact O-N 3.13Å; Y183-I185 PolarHBondContact O-N 3.38Å; Y183-A186 WeakPolarHBondContact O-CB 3.1Å; Y183-A186 PolarHBondContact O-N 3.28Å; Y183-A186 VanDerWaalsContact O-N 3.11Å; Y183-L187 HydrophobicContact CD1-CD1 4.08Å; Y183-L187 HydrophobicContact CD1-CG 4.49Å; Y183-L187 HydrophobicContact CE1-CD1 3.62Å; Y183-L187 HydrophobicContact CE1-CD2 4.39Å; Y183-L187 HydrophobicContact CE1-CG 4.1Å; Y183-L187 HydrophobicContact CE2-CD2 4.43Å; Y183-L187 WeakPolarHBondContact O-CG 3.4Å; Y183-L187 PolarHBondContact O-N 3.49Å; Y183-I210 HydrophobicContact CD1-CD1 3.82Å; Y183-I210 HydrophobicContact CE1-CD1 4.43Å |
| 184 | M | 87.6 | Confident | 82.8 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 15% | 0.148 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.3 | -46 | 174 | -68.3 | 169.2 | 69.8 | 0 | 0 | 111.7 | P180 L181 A186 L187 E188 V195 F197 I210 | P180-M184 WeakPolarHBondContact O-CG 3.28Å; P180-M184 PolarHBondContact O-N 3.48Å; L181-M184 PolarHBondContact O-N 2.91Å; M184-A186 VanDerWaalsContact C-N 3.27Å; M184-A186 PolarHBondContact O-N 3.39Å; M184-L187 WeakPolarHBondContact O-CB 3.4Å; M184-L187 PolarHBondContact O-N 3.11Å; M184-L187 VanDerWaalsContact O-N 3.12Å; M184-E188 PolarHBondContact O-N 2.87Å; M184-V195 HydrophobicContact CB-CG1 3.8Å; M184-V195 HydrophobicContact CE-CG1 4.02Å; M184-V195 HydrophobicContact CG-CG1 3.85Å; M184-F197 HydrophobicContact CE-CB 3.97Å; M184-F197 HydrophobicContact SD-CB 3.97Å; M184-F197 HydrophobicContact SD-CD2 4.04Å; M184-F197 HydrophobicContact SD-CG 4.44Å; M184-I210 HydrophobicContact CG-CD1 3.75Å; M184-I210 HydrophobicContact CG-CG1 4.14Å; M184-I210 HydrophobicContact CG-CG2 3.92Å; M184-I210 HydrophobicContact SD-CD1 4.25Å; M184-I210 HydrophobicContact SD-CG1 4.35Å |
| 185 | I | 83 | Confident | 83.8 | Confident | 59 Ų | 59 | 57.5 Ų | 57.5 | 30% | 0.303 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 175.5 | -67.2 | 165.5 | 0 | 0 | 0 | 110.8 | L181 Y183 L187 E188 R189 | L181-I185 HydrophobicContact CG-CD1 4.16Å; L181-I185 WeakPolarHBondContact O-CG1 3.49Å; L181-I185 PolarHBondContact O-N 3.43Å; Y183-I185 PolarHBondContact O-N 3.38Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-E188 PolarHBondContact O-N 3.18Å; I185-R189 HydrophobicContact CG2-CG 4.43Å; I185-R189 WeakPolarHBondContact O-CB 3.45Å; I185-R189 VanDerWaalsContact O-CG 3.27Å; I185-R189 WeakPolarHBondContact O-CG 3.13Å; I185-R189 PolarHBondContact O-N 3.3Å |
| 186 | A | 85.5 | Confident | 84.7 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.8 | -34.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L141 F177 D182 Y183 M184 C190 | L141-A186 HydrophobicContact CD1-CB 3.64Å; F177-A186 HydrophobicContact CE1-CB 3.51Å; F177-A186 HydrophobicContact CE2-CB 4.2Å; F177-A186 HydrophobicContact CZ-CB 3.3Å; D182-A186 WeakPolarHBondContact O-CB 3.36Å; D182-A186 PolarHBondContact O-N 2.9Å; Y183-A186 WeakPolarHBondContact O-CB 3.1Å; Y183-A186 PolarHBondContact O-N 3.28Å; Y183-A186 VanDerWaalsContact O-N 3.11Å; M184-A186 VanDerWaalsContact C-N 3.27Å; M184-A186 PolarHBondContact O-N 3.39Å; A186-C190 WeakPolarHBondContact O-CB 3.38Å; A186-C190 PolarHBondContact O-N 3.36Å; A186-C190 PolarHBondContact O-SG 3.03Å |
| 187 | L | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.1 | -50.8 | 172.6 | -68.3 | 174.4 | 0 | 0 | 0 | 111.3 | L141 M154 Y183 M184 I185 R189 C190 G191 F192 V195 I210 A212 | L141-L187 HydrophobicContact CD1-CD2 4.12Å; L141-L187 HydrophobicContact CD2-CD2 3.55Å; L141-L187 HydrophobicContact CG-CD2 4.4Å; M154-L187 HydrophobicContact CE-CD1 4.21Å; M154-L187 HydrophobicContact CE-CD2 3.2Å; M154-L187 HydrophobicContact CE-CG 4.35Å; Y183-L187 HydrophobicContact CD1-CD1 4.08Å; Y183-L187 HydrophobicContact CD1-CG 4.49Å; Y183-L187 HydrophobicContact CE1-CD1 3.62Å; Y183-L187 HydrophobicContact CE1-CD2 4.39Å; Y183-L187 HydrophobicContact CE1-CG 4.1Å; Y183-L187 HydrophobicContact CE2-CD2 4.43Å; Y183-L187 WeakPolarHBondContact O-CG 3.4Å; Y183-L187 PolarHBondContact O-N 3.49Å; M184-L187 WeakPolarHBondContact O-CB 3.4Å; M184-L187 PolarHBondContact O-N 3.11Å; M184-L187 VanDerWaalsContact O-N 3.12Å; I185-L187 VanDerWaalsContact C-N 3.34Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 2.66Å; L187-C190 CarbonylContact O-C 3.56Å; L187-C190 WeakPolarHBondContact O-CA 3.32Å; L187-C190 PolarHBondContact O-N 3.46Å; L187-G191 PolarHBondContact O-N 2.72Å; L187-G191 VanDerWaalsContact O-N 3.13Å; L187-F192 HydrophobicContact CB-CB 4.1Å; L187-F192 HydrophobicContact CB-CD2 4.24Å; L187-F192 HydrophobicContact CB-CG 4.42Å; L187-F192 HydrophobicContact CD2-CD2 3.8Å; L187-F192 HydrophobicContact CD2-CE2 4.03Å; L187-F192 HydrophobicContact CD2-CG 4.25Å; L187-F192 WeakPolarHBondContact O-CB 3.48Å; L187-F192 WeakPolarHBondContact O-CD2 3.4Å; L187-F192 PolarHBondContact O-N 2.62Å; L187-V195 HydrophobicContact CB-CG2 4.14Å; L187-V195 HydrophobicContact CD1-CG1 4.21Å; L187-I210 HydrophobicContact CD1-CG2 3.9Å; L187-A212 HydrophobicContact CD1-CB 4.07Å |
| 188 | E | 85.3 | Confident | 86.4 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 53% | 0.533 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 177.7 | -67 | 177 | 155.2 | 0 | 0 | 111.3 | M184 I185 C190 G191 V195 | M184-E188 PolarHBondContact O-N 2.87Å; I185-E188 PolarHBondContact O-N 3.18Å; E188-C190 PolarHBondContact O-N 2.92Å; E188-G191 WeakPolarHBondContact O-CA 3.4Å; E188-G191 PolarHBondContact O-N 2.73Å; E188-V195 HydrophobicContact CG-CB 4.25Å; E188-V195 HydrophobicContact CG-CG2 3.85Å |
| 189 | R | 81.2 | Confident | 87 | Confident | 208 Ų | 208 | 60 Ų | 60 | 79% | 0.785 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63 | -30.3 | 174.7 | -74.7 | 177 | 178.9 | -174.6 | 0.2 | 113.4 | I185 L187 G191 | I185-R189 HydrophobicContact CG2-CG 4.43Å; I185-R189 WeakPolarHBondContact O-CB 3.45Å; I185-R189 VanDerWaalsContact O-CG 3.27Å; I185-R189 WeakPolarHBondContact O-CG 3.13Å; I185-R189 PolarHBondContact O-N 3.3Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 2.66Å; R189-G191 PolarHBondContact O-N 3.07Å |
| 190 | C | 81 | Confident | 87.4 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -0.2 | 174.5 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | L141 H142 A186 L187 E188 F192 Q218 | L141-C190 HydrophobicContact CB-CB 4.04Å; L141-C190 VanDerWaalsContact CB-SG 3.51Å; H142-C190 PolarHBondContact NE2-SG 3.04Å; A186-C190 WeakPolarHBondContact O-CB 3.38Å; A186-C190 PolarHBondContact O-N 3.36Å; A186-C190 PolarHBondContact O-SG 3.03Å; L187-C190 CarbonylContact O-C 3.56Å; L187-C190 WeakPolarHBondContact O-CA 3.32Å; L187-C190 PolarHBondContact O-N 3.46Å; E188-C190 PolarHBondContact O-N 2.92Å; C190-F192 HydrophobicContact CB-CD2 4.12Å; C190-F192 HydrophobicContact CB-CE2 4.29Å; C190-Q218 PolarHBondContact O-NE2 2.96Å |
| 191 | G | 77.3 | Confident | 87.5 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 22% | 0.216 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | 5.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | L187 E188 R189 Q218 | L187-G191 PolarHBondContact O-N 2.72Å; L187-G191 VanDerWaalsContact O-N 3.13Å; E188-G191 WeakPolarHBondContact O-CA 3.4Å; E188-G191 PolarHBondContact O-N 2.73Å; R189-G191 PolarHBondContact O-N 3.07Å; G191-Q218 VanDerWaalsContact O-CD 3.25Å; G191-Q218 PolarHBondContact O-OE1 2.9Å |
| 192 | F | 89.4 | Confident | 87.3 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 144.2 | 173.3 | -70.2 | -90.4 | 0 | 0 | 0 | 110.8 | L144 L148 M154 L187 C190 V195 A212 S213 | L144-F192 HydrophobicContact CB-CZ 4.48Å; L148-F192 HydrophobicContact CD2-CE1 3.95Å; M154-F192 HydrophobicContact CB-CE1 4.49Å; M154-F192 HydrophobicContact CE-CE1 4.15Å; M154-F192 HydrophobicContact CE-CZ 4.12Å; M154-F192 HydrophobicContact SD-CZ 4.47Å; L187-F192 HydrophobicContact CB-CB 4.1Å; L187-F192 HydrophobicContact CB-CD2 4.24Å; L187-F192 HydrophobicContact CB-CG 4.42Å; L187-F192 HydrophobicContact CD2-CD2 3.8Å; L187-F192 HydrophobicContact CD2-CE2 4.03Å; L187-F192 HydrophobicContact CD2-CG 4.25Å; L187-F192 WeakPolarHBondContact O-CB 3.48Å; L187-F192 WeakPolarHBondContact O-CD2 3.4Å; L187-F192 PolarHBondContact O-N 2.62Å; C190-F192 HydrophobicContact CB-CD2 4.12Å; C190-F192 HydrophobicContact CB-CE2 4.29Å; F192-V195 HydrophobicContact CB-CG2 4.35Å; F192-A212 HydrophobicContact CB-CB 4.07Å; F192-A212 HydrophobicContact CD1-CB 4.08Å; F192-A212 HydrophobicContact CG-CB 4.32Å; F192-S213 CarbonylContact C-O 3.5Å; F192-S213 WeakPolarHBondContact CA-O 3.25Å |
| 193 | C | 88.7 | Confident | 87.1 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 178.1 | 176 | 65.4 | 0 | 0 | 0 | 0 | 111.5 | V195 S213 | C193-V195 PolarHBondContact O-N 2.87Å; C193-V195 VanDerWaalsContact O-N 3.1Å; C193-S213 PolarHBondContact N-O 2.83Å; C193-S213 PolarHBondContact O-N 2.69Å |
| 194 | D | 90.5 | Very high | 86.8 | Confident | 104 Ų | 104 | 67.4 Ų | 67.4 | 56% | 0.556 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 33.6 | -179.6 | -52.7 | -47.3 | 0 | 0 | 0 | 113.8 | R196 S213 | D194-R196 PolarHBondContact O-N 3.25Å; D194-R196 VanDerWaalsContact O-N 3.08Å; D194-S213 PolarHBondContact OD2-OG 3.15Å |
| 195 | V | 91.1 | Very high | 86.5 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 107.7 | -176.2 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | M184 L187 E188 F192 C193 I210 F211 A212 | M184-V195 HydrophobicContact CB-CG1 3.8Å; M184-V195 HydrophobicContact CE-CG1 4.02Å; M184-V195 HydrophobicContact CG-CG1 3.85Å; L187-V195 HydrophobicContact CB-CG2 4.14Å; L187-V195 HydrophobicContact CD1-CG1 4.21Å; E188-V195 HydrophobicContact CG-CB 4.25Å; E188-V195 HydrophobicContact CG-CG2 3.85Å; F192-V195 HydrophobicContact CB-CG2 4.35Å; C193-V195 PolarHBondContact O-N 2.87Å; C193-V195 VanDerWaalsContact O-N 3.1Å; V195-I210 HydrophobicContact CG1-CG2 4.05Å; V195-F211 CarbonylContact C-O 3.5Å; V195-F211 VanDerWaalsContact CA-O 3.23Å; V195-F211 WeakPolarHBondContact CA-O 3.46Å; V195-A212 HydrophobicContact CG2-CB 4.07Å |
| 196 | R | 91.6 | Very high | 86.7 | Confident | 119 Ų | 119 | 71.1 Ų | 71.1 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140.4 | -176.5 | 63 | 179.5 | -168.4 | -111.5 | 1.2 | 112.1 | D194 E198 I210 F211 | D194-R196 PolarHBondContact O-N 3.25Å; D194-R196 VanDerWaalsContact O-N 3.08Å; R196-E198 VanDerWaalsContact CD-OE1 3.3Å; R196-E198 WeakPolarHBondContact CD-OE1 3.31Å; R196-E198 IonicContact CZ-OE1 2.76Å; R196-E198 IonicContact NE-OE1 3.15Å; R196-E198 PolarHBondContact NE-OE1 2.84Å; R196-E198 IonicContact NH2-OE1 3.62Å; R196-I210 CarbonylContact O-C 3.58Å; R196-I210 VanDerWaalsContact O-CA 3.28Å; R196-I210 WeakPolarHBondContact O-CA 3.49Å; R196-F211 HydrophobicContact CG-CB 3.69Å; R196-F211 HydrophobicContact CG-CD2 4.25Å; R196-F211 HydrophobicContact CG-CG 4.35Å; R196-F211 PolarHBondContact N-O 2.89Å; R196-F211 PolarHBondContact O-N 3.37Å |
| 197 | F | 92.5 | Very high | 87 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.4 | 177.2 | -170.6 | -85.1 | 0 | 0 | 0 | 109.4 | L158 L160 P180 M184 E208 T209 I210 | L158-F197 HydrophobicContact CD1-CE2 4.5Å; L158-F197 HydrophobicContact CD2-CE2 4.34Å; L160-F197 HydrophobicContact CD1-CE1 4.39Å; L160-F197 HydrophobicContact CD1-CZ 3.96Å; L160-F197 HydrophobicContact CD2-CZ 4.46Å; L160-F197 HydrophobicContact CG-CZ 4.24Å; P180-F197 HydrophobicContact CB-CD2 4.4Å; P180-F197 HydrophobicContact CB-CE2 3.83Å; P180-F197 HydrophobicContact CG-CE2 4.33Å; M184-F197 HydrophobicContact CE-CB 3.97Å; M184-F197 HydrophobicContact SD-CB 3.97Å; M184-F197 HydrophobicContact SD-CD2 4.04Å; M184-F197 HydrophobicContact SD-CG 4.44Å; F197-E208 HydrophobicContact CE1-CB 3.8Å; F197-E208 HydrophobicContact CE1-CG 3.68Å; F197-E208 HydrophobicContact CE2-CB 4.02Å; F197-E208 HydrophobicContact CZ-CB 3.36Å; F197-E208 HydrophobicContact CZ-CG 3.53Å; F197-T209 CarbonylContact C-O 3.46Å; F197-T209 WeakPolarHBondContact CA-O 3.49Å; F197-I210 HydrophobicContact CD2-CD1 4.05Å; F197-I210 HydrophobicContact CD2-CG1 3.55Å; F197-I210 HydrophobicContact CE2-CD1 4.35Å; F197-I210 HydrophobicContact CE2-CG1 4.12Å |
| 198 | E | 91.9 | Very high | 87.2 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 28% | 0.276 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.2 | -178.7 | -65.1 | 177.2 | -164.2 | 0 | 0 | 110.9 | R196 H200 E208 T209 F211 | R196-E198 VanDerWaalsContact CD-OE1 3.3Å; R196-E198 WeakPolarHBondContact CD-OE1 3.31Å; R196-E198 IonicContact CZ-OE1 2.76Å; R196-E198 IonicContact NE-OE1 3.15Å; R196-E198 PolarHBondContact NE-OE1 2.84Å; R196-E198 IonicContact NH2-OE1 3.62Å; E198-H200 WeakPolarHBondContact CB-NE2 3.33Å; E198-H200 IonicContact OE2-CE1 3.86Å; E198-H200 PolarHBondContact OE2-CE1 2.85Å; E198-H200 IonicContact OE2-NE2 2.8Å; E198-H200 PolarHBondContact OE2-NE2 2.88Å; E198-E208 CarbonylContact O-C 3.53Å; E198-E208 WeakPolarHBondContact O-CA 3.49Å; E198-E208 WeakPolarHBondContact O-CB 3.44Å; E198-T209 PolarHBondContact N-O 2.69Å; E198-T209 PolarHBondContact O-N 3.49Å; E198-F211 HydrophobicContact CG-CD2 4.4Å; E198-F211 HydrophobicContact CG-CE2 4.4Å; E198-F211 VanDerWaalsContact OE2-CE2 3.29Å; E198-F211 WeakPolarHBondContact OE2-CE2 3.46Å |
| 199 | Y | 92.2 | Very high | 87.6 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 49% | 0.494 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.1 | 174.8 | 165.8 | -92.1 | 0 | 0 | 0 | 109.9 | K201 R206 E208 | Y199-K201 HydrophobicContact CE1-CB 4.14Å; Y199-R206 HydrophobicContact CE2-CB 4.23Å; Y199-E208 HydrophobicContact CD2-CG 4.24Å |
| 200 | H | 91.4 | Very high | 88.1 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.9 | -178.1 | -61 | -75.7 | 0 | 0 | 0 | 111.1 | L46 E198 F207 T209 | L46-H200 HydrophobicContact CD1-CB 4.13Å; L46-H200 WeakPolarHBondContact CD1-ND1 3.42Å; E198-H200 WeakPolarHBondContact CB-NE2 3.33Å; E198-H200 IonicContact OE2-CE1 3.86Å; E198-H200 PolarHBondContact OE2-CE1 2.85Å; E198-H200 IonicContact OE2-NE2 2.8Å; E198-H200 PolarHBondContact OE2-NE2 2.88Å; H200-F207 HydrophobicContact CB-CD1 4.17Å; H200-F207 HydrophobicContact CB-CD2 4.14Å; H200-F207 HydrophobicContact CB-CE1 3.79Å; H200-F207 HydrophobicContact CB-CE2 3.76Å; H200-F207 HydrophobicContact CB-CG 4.34Å; H200-F207 HydrophobicContact CB-CZ 3.58Å; H200-F207 AromaticContact CD2-CE2 3.97Å; H200-F207 PolarHBondContact N-O 2.66Å; H200-F207 PolarHBondContact O-N 3.03Å; H200-F207 VanDerWaalsContact O-N 3.07Å; H200-F207 VanDerWaalsContact O-O 3.09Å; H200-T209 PolarHBondContact CD2-OG1 2.79Å; H200-T209 VanDerWaalsContact CD2-OG1 3.26Å; H200-T209 PolarHBondContact NE2-OG1 3.04Å |
| 201 | K | 88.2 | Confident | 88.7 | Confident | 129 Ų | 129 | 56.9 Ų | 56.9 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 110 | 171.8 | -177.5 | -175.8 | 174.8 | -166.8 | 0 | 108.9 | Y199 E205 R206 | Y199-K201 HydrophobicContact CE1-CB 4.14Å; K201-E205 WeakPolarHBondContact CA-O 3.5Å; K201-R206 HydrophobicContact CG-CG 4.21Å |
| 202 | V | 83.1 | Confident | 89.5 | Confident | 51 Ų | 51 | 56 Ų | 56 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111.9 | 176.8 | -169.3 | 0 | 0 | 0 | 0 | 108.8 | T204 E205 F207 | V202-T204 PolarHBondContact O-N 2.91Å; V202-E205 PolarHBondContact N-O 3.14Å; V202-E205 VanDerWaalsContact N-O 3.07Å; V202-E205 PolarHBondContact O-N 3.07Å; V202-F207 HydrophobicContact CG2-CE1 4.07Å; V202-F207 HydrophobicContact CG2-CZ 4.48Å |
| 203 | G | 80.4 | Confident | 89.7 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 67% | 0.67 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | -119.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 204 | T | 81.6 | Confident | 89.8 | Confident | 131 Ų | 131 | 54.9 Ų | 54.9 | 80% | 0.804 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -13.4 | 177.4 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | V202 | V202-T204 PolarHBondContact O-N 2.91Š|
| 205 | E | 80.9 | Confident | 89.2 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 138.9 | -177 | -60.7 | -67.1 | 168.6 | 0 | 0 | 110.5 | R38 K201 V202 | R38-E205 WeakPolarHBondContact CD-OE1 3.46Å; R38-E205 IonicContact NH1-OE1 3.4Å; R38-E205 PolarHBondContact NH1-OE1 3.39Å; K201-E205 WeakPolarHBondContact CA-O 3.5Å; V202-E205 PolarHBondContact N-O 3.14Å; V202-E205 VanDerWaalsContact N-O 3.07Å; V202-E205 PolarHBondContact O-N 3.07Å |
| 206 | R | 88.1 | Confident | 88.2 | Confident | 138 Ų | 138 | 54.2 Ų | 54.2 | 52% | 0.521 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.9 | 176.9 | -60 | 179 | -168.4 | -178.8 | 1.5 | 108.5 | Y199 K201 | Y199-R206 HydrophobicContact CE2-CB 4.23Å; K201-R206 HydrophobicContact CG-CG 4.21Å |
| 207 | F | 91.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 167.6 | -177.8 | 66.8 | -84.6 | 0 | 0 | 0 | 110.2 | V39 Q42 A43 L46 L158 H200 V202 T209 | V39-F207 HydrophobicContact CG1-CB 3.67Å; V39-F207 HydrophobicContact CG1-CD2 4.11Å; V39-F207 HydrophobicContact CG1-CG 3.9Å; V39-F207 HydrophobicContact CG2-CB 4.32Å; Q42-F207 HydrophobicContact CB-CE1 3.85Å; Q42-F207 HydrophobicContact CB-CZ 4.05Å; A43-F207 HydrophobicContact CB-CE2 3.92Å; A43-F207 HydrophobicContact CB-CZ 4.48Å; L46-F207 HydrophobicContact CD1-CE2 3.92Å; L46-F207 HydrophobicContact CD1-CZ 3.59Å; L158-F207 WeakPolarHBondContact O-CA 2.98Å; L158-F207 WeakPolarHBondContact O-CB 3.25Å; H200-F207 HydrophobicContact CB-CD1 4.17Å; H200-F207 HydrophobicContact CB-CD2 4.14Å; H200-F207 HydrophobicContact CB-CE1 3.79Å; H200-F207 HydrophobicContact CB-CE2 3.76Å; H200-F207 HydrophobicContact CB-CG 4.34Å; H200-F207 HydrophobicContact CB-CZ 3.58Å; H200-F207 AromaticContact CD2-CE2 3.97Å; H200-F207 PolarHBondContact N-O 2.66Å; H200-F207 PolarHBondContact O-N 3.03Å; H200-F207 VanDerWaalsContact O-N 3.07Å; H200-F207 VanDerWaalsContact O-O 3.09Å; V202-F207 HydrophobicContact CG2-CE1 4.07Å; V202-F207 HydrophobicContact CG2-CZ 4.48Å; F207-T209 HydrophobicContact CD2-CG2 4.08Å; F207-T209 HydrophobicContact CE2-CG2 3.85Å |
| 208 | E | 93 | Very high | 84.5 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 154.1 | 179.5 | -61.2 | 83.2 | -177.5 | 0 | 0 | 109.7 | A157 L158 S159 L160 F197 E198 Y199 | A157-E208 CarbonylContact C-O 3.56Å; L158-E208 HydrophobicContact CD2-CB 4.19Å; L158-E208 WeakPolarHBondContact CD2-O 3.45Å; L158-E208 HydrophobicContact CG-CB 4.12Å; L158-E208 PolarHBondContact N-O 3.05Å; L158-E208 PolarHBondContact O-N 3.46Å; S159-E208 WeakPolarHBondContact CA-OE2 3.21Å; L160-E208 WeakPolarHBondContact CB-OE2 3.42Å; L160-E208 HydrophobicContact CD1-CG 3.94Å; L160-E208 WeakPolarHBondContact CD1-OE1 3.27Å; L160-E208 VanDerWaalsContact CG-CD 3.45Å; L160-E208 HydrophobicContact CG-CG 4.02Å; L160-E208 WeakPolarHBondContact CG-OE2 2.96Å; L160-E208 PolarHBondContact N-OE2 2.89Å; F197-E208 HydrophobicContact CE1-CB 3.8Å; F197-E208 HydrophobicContact CE1-CG 3.68Å; F197-E208 HydrophobicContact CE2-CB 4.02Å; F197-E208 HydrophobicContact CZ-CB 3.36Å; F197-E208 HydrophobicContact CZ-CG 3.53Å; E198-E208 CarbonylContact O-C 3.53Å; E198-E208 WeakPolarHBondContact O-CA 3.49Å; E198-E208 WeakPolarHBondContact O-CB 3.44Å; Y199-E208 HydrophobicContact CD2-CG 4.24Å |
| 209 | T | 93.2 | Very high | 82.3 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.6 | 176.9 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | V155 T156 A157 F197 E198 H200 F207 F211 | V155-T209 HydrophobicContact CG1-CG2 4.33Å; T156-T209 CarbonylContact O-C 3.57Å; T156-T209 WeakPolarHBondContact O-CA 3.44Å; A157-T209 HydrophobicContact CB-CG2 4.43Å; F197-T209 CarbonylContact C-O 3.46Å; F197-T209 WeakPolarHBondContact CA-O 3.49Å; E198-T209 PolarHBondContact N-O 2.69Å; E198-T209 PolarHBondContact O-N 3.49Å; H200-T209 PolarHBondContact CD2-OG1 2.79Å; H200-T209 VanDerWaalsContact CD2-OG1 3.26Å; H200-T209 PolarHBondContact NE2-OG1 3.04Å; F207-T209 HydrophobicContact CD2-CG2 4.08Å; F207-T209 HydrophobicContact CE2-CG2 3.85Å; T209-F211 VanDerWaalsContact OG1-CE2 3.22Å; T209-F211 WeakPolarHBondContact OG1-CE2 3.43Å |
| 210 | I | 92.9 | Very high | 80 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118.1 | 166.1 | -62.9 | 165 | 0 | 0 | 0 | 107.6 | V155 T156 L158 P180 Y183 M184 L187 V195 R196 F197 | V155-I210 WeakPolarHBondContact CA-O 3.3Å; T156-I210 PolarHBondContact N-O 3.46Å; T156-I210 PolarHBondContact O-N 3.37Å; L158-I210 HydrophobicContact CD2-CD1 4.27Å; L158-I210 HydrophobicContact CD2-CG1 4.31Å; P180-I210 HydrophobicContact CB-CD1 3.92Å; Y183-I210 HydrophobicContact CD1-CD1 3.82Å; Y183-I210 HydrophobicContact CE1-CD1 4.43Å; M184-I210 HydrophobicContact CG-CD1 3.75Å; M184-I210 HydrophobicContact CG-CG1 4.14Å; M184-I210 HydrophobicContact CG-CG2 3.92Å; M184-I210 HydrophobicContact SD-CD1 4.25Å; M184-I210 HydrophobicContact SD-CG1 4.35Å; L187-I210 HydrophobicContact CD1-CG2 3.9Å; V195-I210 HydrophobicContact CG1-CG2 4.05Å; R196-I210 CarbonylContact O-C 3.58Å; R196-I210 VanDerWaalsContact O-CA 3.28Å; R196-I210 WeakPolarHBondContact O-CA 3.49Å; F197-I210 HydrophobicContact CD2-CD1 4.05Å; F197-I210 HydrophobicContact CD2-CG1 3.55Å; F197-I210 HydrophobicContact CE2-CD1 4.35Å; F197-I210 HydrophobicContact CE2-CG1 4.12Å |
| 211 | F | 93.6 | Very high | 77.6 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 147.9 | 170 | -67.9 | -97.8 | 0 | 0 | 0 | 109.5 | L47 M154 V155 V195 R196 E198 T209 | L47-F211 HydrophobicContact CD2-CE1 4.24Å; M154-F211 WeakPolarHBondContact O-CA 3.43Å; V155-F211 HydrophobicContact CB-CD1 4.37Å; V155-F211 HydrophobicContact CB-CE1 4.37Å; V155-F211 HydrophobicContact CG1-CD1 4.24Å; V155-F211 HydrophobicContact CG1-CE1 4.01Å; V155-F211 HydrophobicContact CG1-CZ 4.15Å; V155-F211 HydrophobicContact CG2-CD1 3.33Å; V155-F211 HydrophobicContact CG2-CE1 3.41Å; V155-F211 VanDerWaalsContact CG2-CE1 3.41Å; V155-F211 HydrophobicContact CG2-CG 4.22Å; V155-F211 HydrophobicContact CG2-CZ 4.36Å; V195-F211 CarbonylContact C-O 3.5Å; V195-F211 VanDerWaalsContact CA-O 3.23Å; V195-F211 WeakPolarHBondContact CA-O 3.46Å; R196-F211 HydrophobicContact CG-CB 3.69Å; R196-F211 HydrophobicContact CG-CD2 4.25Å; R196-F211 HydrophobicContact CG-CG 4.35Å; R196-F211 PolarHBondContact N-O 2.89Å; R196-F211 PolarHBondContact O-N 3.37Å; E198-F211 HydrophobicContact CG-CD2 4.4Å; E198-F211 HydrophobicContact CG-CE2 4.4Å; E198-F211 VanDerWaalsContact OE2-CE2 3.29Å; E198-F211 WeakPolarHBondContact OE2-CE2 3.46Å; T209-F211 VanDerWaalsContact OG1-CE2 3.22Å; T209-F211 WeakPolarHBondContact OG1-CE2 3.43Å |
| 212 | A | 94 | Very high | 75.6 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 153.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | K153 M154 L187 F192 V195 | K153-A212 WeakPolarHBondContact CA-O 3.5Å; M154-A212 PolarHBondContact N-O 3.02Å; M154-A212 PolarHBondContact O-N 3.12Å; L187-A212 HydrophobicContact CD1-CB 4.07Å; F192-A212 HydrophobicContact CB-CB 4.07Å; F192-A212 HydrophobicContact CD1-CB 4.08Å; F192-A212 HydrophobicContact CG-CB 4.32Å; V195-A212 HydrophobicContact CG2-CB 4.07Å |
| 213 | S | 93.2 | Very high | 73.8 | Confident | 14 Ų | 14 | 53 Ų | 53 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 147.5 | 177.1 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | G152 F192 C193 D194 | G152-S213 WeakPolarHBondContact O-CA 3.43Å; F192-S213 CarbonylContact C-O 3.5Å; F192-S213 WeakPolarHBondContact CA-O 3.25Å; C193-S213 PolarHBondContact N-O 2.83Å; C193-S213 PolarHBondContact O-N 2.69Å; D194-S213 PolarHBondContact OD2-OG 3.15Å |
| 214 | K | 91 | Very high | 72 | Confident | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 121 | 166.6 | -174 | 179 | -179.5 | 176.1 | 0 | 108.5 | D121 S145 L148 K149 E151 G152 Q218 | D121-K214 IonicContact OD1-NZ 3.68Å; D121-K214 PolarHBondContact OD1-NZ 2.95Å; S145-K214 WeakPolarHBondContact O-CD 3.22Å; S145-K214 WeakPolarHBondContact O-CE 3.49Å; S145-K214 PolarHBondContact O-NZ 2.86Å; L148-K214 HydrophobicContact CB-CD 4.35Å; L148-K214 HydrophobicContact CD2-CB 4.03Å; L148-K214 HydrophobicContact CG-CB 4.34Å; L148-K214 WeakPolarHBondContact O-CD 3.33Å; L148-K214 WeakPolarHBondContact O-CE 3.33Å; L148-K214 PolarHBondContact O-NZ 2.93Å; K149-K214 WeakPolarHBondContact O-CD 3.49Å; E151-K214 VanDerWaalsContact CA-O 3.31Å; E151-K214 WeakPolarHBondContact CA-O 3.48Å; E151-K214 PolarHBondContact N-O 3.23Å; G152-K214 PolarHBondContact O-N 3.16Å; K214-Q218 VanDerWaalsContact CG-OE1 3.26Å |
| 215 | S | 78.7 | Confident | 70.4 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | trans | -73.1 | 151.9 | 178.8 | 70.8 | 0 | 0 | 0 | 0 | 111.5 | E217 Q218 | S215-E217 VanDerWaalsContact C-N 3.34Å; S215-Q218 VanDerWaalsContact O-CB 3.31Å; S215-Q218 WeakPolarHBondContact O-CB 3.18Å; S215-Q218 PolarHBondContact O-N 3.28Å; S215-Q218 VanDerWaalsContact OG-CB 3.25Å; S215-Q218 WeakPolarHBondContact OG-CB 3.5Å; S215-Q218 PolarHBondContact OG-N 3.09Å | ||
| 216 | V | 69.5 | Low | 68.8 | Low | 81 Ų | 81 | 53.9 Ų | 53.9 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -40.2 | 177.2 | -179.5 | 0 | 0 | 0 | 0 | 111 | E151 Q218 S219 | E151-V216 HydrophobicContact CG-CG2 3.57Å; V216-Q218 PolarHBondContact O-N 2.96Å; V216-S219 PolarHBondContact O-N 2.94Å; V216-S219 PolarHBondContact O-OG 3.17Å |
| 217 | E | 54.9 | Low | 66.8 | Low | 120 Ų | 120 | 49.3 Ų | 49.3 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.9 | 177 | -67.6 | -169.7 | 153.8 | 0 | 0 | 113.1 | S215 S219 M220 R221 | S215-E217 VanDerWaalsContact C-N 3.34Å; E217-S219 VanDerWaalsContact C-N 3.26Å; E217-S219 PolarHBondContact O-N 3.29Å; E217-M220 PolarHBondContact O-N 3.32Å; E217-R221 VanDerWaalsContact CD-NH1 3.34Å; E217-R221 PolarHBondContact O-N 2.97Å; E217-R221 IonicContact OE1-NH1 3.46Å; E217-R221 IonicContact OE2-CZ 3.38Å; E217-R221 IonicContact OE2-NH1 2.63Å; E217-R221 PolarHBondContact OE2-NH1 3.05Å |
| 218 | Q | 50.5 | Low | 65 | Low | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -28.7 | 177.5 | -170.4 | 178 | 9.4 | 0 | 0 | 112.8 | S145 C190 G191 K214 S215 V216 M220 T222 | S145-Q218 PolarHBondContact OG-NE2 2.8Å; C190-Q218 PolarHBondContact O-NE2 2.96Å; G191-Q218 VanDerWaalsContact O-CD 3.25Å; G191-Q218 PolarHBondContact O-OE1 2.9Å; K214-Q218 VanDerWaalsContact CG-OE1 3.26Å; S215-Q218 VanDerWaalsContact O-CB 3.31Å; S215-Q218 WeakPolarHBondContact O-CB 3.18Å; S215-Q218 PolarHBondContact O-N 3.28Å; S215-Q218 VanDerWaalsContact OG-CB 3.25Å; S215-Q218 WeakPolarHBondContact OG-CB 3.5Å; S215-Q218 PolarHBondContact OG-N 3.09Å; V216-Q218 PolarHBondContact O-N 2.96Å; Q218-M220 PolarHBondContact O-N 3.39Å; Q218-T222 HydrophobicContact CG-CG2 3.85Å; Q218-T222 WeakPolarHBondContact CG-OG1 3.5Å; Q218-T222 PolarHBondContact O-N 3.44Å; Q218-T222 PolarHBondContact O-OG1 2.88Å |
| 219 | S | 46.5 | Very low | 63.4 | Low | 56 Ų | 56 | 56.9 Ų | 56.9 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -27.5 | 176.5 | 71.7 | 0 | 0 | 0 | 0 | 112.8 | V216 E217 | V216-S219 PolarHBondContact O-N 2.94Å; V216-S219 PolarHBondContact O-OG 3.17Å; E217-S219 VanDerWaalsContact C-N 3.26Å; E217-S219 PolarHBondContact O-N 3.29Å |
| 220 | M | 43.2 | Very low | 61.6 | Low | 132 Ų | 132 | 60.5 Ų | 60.5 | 65% | 0.65 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -100.6 | -48.7 | 178.2 | -69.5 | 179.4 | 160.9 | 0 | 0 | 112 | E217 Q218 E224 | E217-M220 PolarHBondContact O-N 3.32Å; Q218-M220 PolarHBondContact O-N 3.39Å; M220-E224 WeakPolarHBondContact O-CB 3.43Å; M220-E224 VanDerWaalsContact O-CD 3.32Å; M220-E224 VanDerWaalsContact O-CG 3.28Å; M220-E224 WeakPolarHBondContact O-CG 3.08Å |
| 221 | R | 41.6 | Very low | 59.4 | Low | 145 Ų | 145 | 61.2 Ų | 61.2 | 55% | 0.547 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -80.4 | -36.5 | -166.6 | -72.1 | -178.5 | 175.7 | 157 | 2.7 | 116.4 | E217 Q225 | E217-R221 VanDerWaalsContact CD-NH1 3.34Å; E217-R221 PolarHBondContact O-N 2.97Å; E217-R221 IonicContact OE1-NH1 3.46Å; E217-R221 IonicContact OE2-CZ 3.38Å; E217-R221 IonicContact OE2-NH1 2.63Å; E217-R221 PolarHBondContact OE2-NH1 3.05Å; R221-Q225 WeakPolarHBondContact O-CB 3.04Å; R221-Q225 PolarHBondContact O-N 3.01Å |
| 222 | T | 46.5 | Very low | 58 | Low | 31 Ų | 31 | 64.6 Ų | 64.6 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -80.7 | -25.3 | -174.7 | 47.2 | 0 | 0 | 0 | 0 | 114.4 | Q218 K226 | Q218-T222 HydrophobicContact CG-CG2 3.85Å; Q218-T222 WeakPolarHBondContact CG-OG1 3.5Å; Q218-T222 PolarHBondContact O-N 3.44Å; Q218-T222 PolarHBondContact O-OG1 2.88Å; T222-K226 WeakPolarHBondContact O-CB 3.26Å; T222-K226 WeakPolarHBondContact O-CG 3.19Å |
| 223 | L | 44.7 | Very low | 56.6 | Low | 78 Ų | 78 | 70.2 Ų | 70.2 | 41% | 0.408 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -72.2 | -48.5 | 169.9 | -152.1 | 84.8 | 0 | 0 | 0 | 108.9 | K226 E227 T671 | L223-K226 PolarHBondContact O-N 3.19Å; L223-E227 WeakPolarHBondContact CD2-OE1 3.2Å; L223-E227 HydrophobicContact CG-CG 4.38Å; L223-E227 WeakPolarHBondContact O-CB 3.49Å; L223-E227 WeakPolarHBondContact O-CG 3.33Å; L223-E227 PolarHBondContact O-N 2.96Å; L223-T671 HydrophobicContact CD2-CG2 4.13Å |
| 224 | E | 43.4 | Very low | 54.8 | Low | 45 Ų | 45 | 71.1 Ų | 71.1 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 179.9 | -77.8 | 172.9 | 177.2 | 0 | 0 | 113.8 | M220 K226 N228 K645 | M220-E224 WeakPolarHBondContact O-CB 3.43Å; M220-E224 VanDerWaalsContact O-CD 3.32Å; M220-E224 VanDerWaalsContact O-CG 3.28Å; M220-E224 WeakPolarHBondContact O-CG 3.08Å; E224-K226 PolarHBondContact O-N 3.19Å; E224-N228 WeakPolarHBondContact O-CB 3.35Å; E224-N228 PolarHBondContact O-N 3.46Å; E224-N228 PolarHBondContact O-ND2 3.03Å; E224-N228 VanDerWaalsContact O-ND2 3.15Å; E224-K645 WeakPolarHBondContact OE1-CE 3.25Å; E224-K645 IonicContact OE1-NZ 2.71Å; E224-K645 PolarHBondContact OE1-NZ 2.92Å |
| 225 | Q | 46.9 | Very low | 53.4 | Low | 125 Ų | 125 | 73.5 Ų | 73.5 | 58% | 0.584 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | 178.8 | -94.5 | -179.7 | -28 | 0 | 0 | 112.4 | R221 N228 E229 | R221-Q225 WeakPolarHBondContact O-CB 3.04Å; R221-Q225 PolarHBondContact O-N 3.01Å; Q225-N228 PolarHBondContact O-N 2.98Å; Q225-E229 WeakPolarHBondContact O-CB 3.39Å; Q225-E229 WeakPolarHBondContact O-CG 3.49Å; Q225-E229 PolarHBondContact O-N 3.33Å |
| 226 | K | 47.5 | Very low | 52.9 | Low | 74 Ų | 74 | 79.1 Ų | 79.1 | 32% | 0.322 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -74.9 | -39.3 | 179.2 | -74.7 | 179 | -173.3 | 143 | 0 | 112.9 | H142 T222 L223 E224 N228 F230 | H142-K226 PolarHBondContact CD2-NZ 3.37Å; H142-K226 VanDerWaalsContact NE2-CE 3.25Å; H142-K226 WeakPolarHBondContact NE2-CE 3.47Å; H142-K226 PolarHBondContact NE2-NZ 3.36Å; T222-K226 WeakPolarHBondContact O-CB 3.26Å; T222-K226 WeakPolarHBondContact O-CG 3.19Å; L223-K226 PolarHBondContact O-N 3.19Å; E224-K226 PolarHBondContact O-N 3.19Å; K226-N228 VanDerWaalsContact C-N 3.26Å; K226-F230 WeakPolarHBondContact O-CB 3.47Å; K226-F230 PolarHBondContact O-N 3.4Å |
| 227 | E | 46.5 | Very low | 52.4 | Low | 41 Ų | 41 | 84 Ų | 84 | 19% | 0.192 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55 | -51 | 169 | -80.9 | -179.7 | 172 | 0 | 0 | 107.6 | L223 F230 F231 | L223-E227 WeakPolarHBondContact CD2-OE1 3.2Å; L223-E227 HydrophobicContact CG-CG 4.38Å; L223-E227 WeakPolarHBondContact O-CB 3.49Å; L223-E227 WeakPolarHBondContact O-CG 3.33Å; L223-E227 PolarHBondContact O-N 2.96Å; E227-F230 PolarHBondContact O-N 2.96Å; E227-F231 HydrophobicContact CB-CD2 3.91Å; E227-F231 HydrophobicContact CB-CE2 3.7Å; E227-F231 HydrophobicContact CG-CE2 4.4Å; E227-F231 WeakPolarHBondContact O-CA 3.25Å; E227-F231 WeakPolarHBondContact O-CB 3.4Å; E227-F231 WeakPolarHBondContact O-CD2 3.38Å; E227-F231 WeakPolarHBondContact O-CG 3.49Å; E227-F231 PolarHBondContact O-N 2.94Å |
| 228 | N | 53.4 | Low | 52.5 | Low | 48 Ų | 48 | 81.3 Ų | 81.3 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 179.9 | -69.1 | -20.3 | 0 | 0 | 0 | 113.9 | E224 Q225 K226 F231 D232 R648 | E224-N228 WeakPolarHBondContact O-CB 3.35Å; E224-N228 PolarHBondContact O-N 3.46Å; E224-N228 PolarHBondContact O-ND2 3.03Å; E224-N228 VanDerWaalsContact O-ND2 3.15Å; Q225-N228 PolarHBondContact O-N 2.98Å; K226-N228 VanDerWaalsContact C-N 3.26Å; N228-F231 CarbonylContact O-C 3.6Å; N228-F231 WeakPolarHBondContact O-CB 3.4Å; N228-F231 PolarHBondContact O-N 2.8Å; N228-D232 WeakPolarHBondContact O-CB 3.48Å; N228-D232 PolarHBondContact O-N 3.38Å; N228-R648 PolarHBondContact OD1-NH1 2.83Å |
| 229 | E | 59.8 | Low | 53.4 | Low | 130 Ų | 130 | 88 Ų | 88 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 176.7 | -77.2 | 177.8 | 175.1 | 0 | 0 | 111.7 | Q225 D232 E233 | Q225-E229 WeakPolarHBondContact O-CB 3.39Å; Q225-E229 WeakPolarHBondContact O-CG 3.49Å; Q225-E229 PolarHBondContact O-N 3.33Å; E229-D232 PolarHBondContact O-N 2.88Å; E229-E233 WeakPolarHBondContact O-CB 3.35Å; E229-E233 PolarHBondContact O-N 3.1Å |
| 230 | F | 54.5 | Low | 54.2 | Low | 77 Ų | 77 | 88.3 Ų | 88.3 | 34% | 0.338 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 173.3 | 179.9 | -99 | 0 | 0 | 0 | 111 | K226 E227 D232 E233 L234 F652 | K226-F230 WeakPolarHBondContact O-CB 3.47Å; K226-F230 PolarHBondContact O-N 3.4Å; E227-F230 PolarHBondContact O-N 2.96Å; F230-D232 VanDerWaalsContact C-N 3.3Å; F230-D232 PolarHBondContact O-N 3.28Å; F230-E233 PolarHBondContact O-N 2.98Å; F230-L234 HydrophobicContact CE1-CD1 4.23Å; F230-L234 HydrophobicContact CZ-CD1 4.06Å; F230-L234 WeakPolarHBondContact O-CB 3.37Å; F230-L234 PolarHBondContact O-N 2.84Å; F230-F652 AromaticContact CD1-CD2 3.85Å; F230-F652 HydrophobicContact CD1-CD2 3.85Å; F230-F652 AromaticContact CD1-CE2 3.54Å; F230-F652 HydrophobicContact CD1-CE2 3.54Å; F230-F652 AromaticContact CE1-CD2 3.65Å; F230-F652 HydrophobicContact CE1-CD2 3.65Å; F230-F652 AromaticContact CE1-CE2 3.35Å; F230-F652 HydrophobicContact CE1-CE2 3.35Å; F230-F652 HydrophobicContact CE1-CZ 4.35Å; F230-F652 HydrophobicContact CZ-CE2 4.47Å |
| 231 | F | 47.5 | Very low | 54.8 | Low | 17 Ų | 17 | 87.4 Ų | 87.4 | 8% | 0.075 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 173.8 | -83.4 | -62.6 | 0 | 0 | 0 | 110 | E227 N228 L234 I235 R648 F652 | E227-F231 HydrophobicContact CB-CD2 3.91Å; E227-F231 HydrophobicContact CB-CE2 3.7Å; E227-F231 HydrophobicContact CG-CE2 4.4Å; E227-F231 WeakPolarHBondContact O-CA 3.25Å; E227-F231 WeakPolarHBondContact O-CB 3.4Å; E227-F231 WeakPolarHBondContact O-CD2 3.38Å; E227-F231 WeakPolarHBondContact O-CG 3.49Å; E227-F231 PolarHBondContact O-N 2.94Å; N228-F231 CarbonylContact O-C 3.6Å; N228-F231 WeakPolarHBondContact O-CB 3.4Å; N228-F231 PolarHBondContact O-N 2.8Å; F231-L234 PolarHBondContact O-N 2.64Å; F231-I235 VanDerWaalsContact O-CB 3.28Å; F231-I235 WeakPolarHBondContact O-CB 3.31Å; F231-I235 WeakPolarHBondContact O-CD1 3.21Å; F231-I235 WeakPolarHBondContact O-CG1 3.48Å; F231-I235 PolarHBondContact O-N 3.5Å; F231-R648 HydrophobicContact CD1-CB 4.22Å; F231-R648 HydrophobicContact CE1-CB 3.61Å; F231-R648 HydrophobicContact CE1-CG 4.43Å; F231-R648 HydrophobicContact CE2-CB 4.25Å; F231-R648 HydrophobicContact CZ-CB 3.71Å; F231-F652 HydrophobicContact CD1-CB 4.4Å; F231-F652 HydrophobicContact CE1-CB 3.52Å; F231-F652 HydrophobicContact CE1-CD2 4.06Å; F231-F652 HydrophobicContact CE1-CG 4.2Å; F231-F652 HydrophobicContact CZ-CB 4.01Å; F231-F652 HydrophobicContact CZ-CD2 4.21Å; F231-F652 HydrophobicContact CZ-CG 4.38Å |
| 232 | D | 64.1 | Low | 55.7 | Low | 89 Ų | 89 | 87.3 Ų | 87.3 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 178.9 | -80.3 | -16.5 | 0 | 0 | 0 | 112.2 | N228 E229 F230 L234 K236 | N228-D232 WeakPolarHBondContact O-CB 3.48Å; N228-D232 PolarHBondContact O-N 3.38Å; E229-D232 PolarHBondContact O-N 2.88Å; F230-D232 VanDerWaalsContact C-N 3.3Å; F230-D232 PolarHBondContact O-N 3.28Å; D232-L234 VanDerWaalsContact C-N 3.34Å; D232-K236 WeakPolarHBondContact O-CB 3.35Å; D232-K236 VanDerWaalsContact O-CG 3.25Å; D232-K236 WeakPolarHBondContact O-CG 3.46Å; D232-K236 PolarHBondContact O-N 3.16Å |
| 233 | E | 64.1 | Low | 56.8 | Low | 121 Ų | 121 | 89.5 Ų | 89.5 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.4 | -40.4 | 175.7 | -164.8 | -179 | 179.3 | 0 | 0 | 111.4 | E229 F230 K236 R237 | E229-E233 WeakPolarHBondContact O-CB 3.35Å; E229-E233 PolarHBondContact O-N 3.1Å; F230-E233 PolarHBondContact O-N 2.98Å; E233-K236 WeakPolarHBondContact O-CB 3.01Å; E233-K236 PolarHBondContact O-N 3.33Å; E233-R237 PolarHBondContact O-N 3.4Å |
| 234 | L | 56.2 | Low | 57.6 | Low | 32 Ų | 32 | 91.5 Ų | 91.5 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.6 | -47.2 | 177.2 | -166.5 | 86.3 | 0 | 0 | 0 | 111.5 | F230 F231 D232 K236 R237 E238 A655 | F230-L234 HydrophobicContact CE1-CD1 4.23Å; F230-L234 HydrophobicContact CZ-CD1 4.06Å; F230-L234 WeakPolarHBondContact O-CB 3.37Å; F230-L234 PolarHBondContact O-N 2.84Å; F231-L234 PolarHBondContact O-N 2.64Å; D232-L234 VanDerWaalsContact C-N 3.34Å; L234-K236 VanDerWaalsContact C-N 3.28Å; L234-K236 PolarHBondContact O-N 2.81Å; L234-R237 WeakPolarHBondContact O-CB 3.38Å; L234-R237 PolarHBondContact O-N 2.8Å; L234-R237 VanDerWaalsContact O-N 3.15Å; L234-E238 WeakPolarHBondContact O-CB 3.41Å; L234-E238 PolarHBondContact O-N 3.14Å; L234-A655 HydrophobicContact CD1-CB 3.66Å; L234-A655 HydrophobicContact CD2-CB 3.64Å; L234-A655 HydrophobicContact CG-CB 4.09Å |
| 235 | I | 61.5 | Low | 58 | Low | 62 Ų | 62 | 93.7 Ų | 93.7 | 32% | 0.318 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 175.6 | -72.5 | 164.9 | 0 | 0 | 0 | 109.9 | F231 E238 K239 | F231-I235 VanDerWaalsContact O-CB 3.28Å; F231-I235 WeakPolarHBondContact O-CB 3.31Å; F231-I235 WeakPolarHBondContact O-CD1 3.21Å; F231-I235 WeakPolarHBondContact O-CG1 3.48Å; F231-I235 PolarHBondContact O-N 3.5Å; I235-E238 PolarHBondContact O-N 2.89Å; I235-K239 HydrophobicContact CG2-CD 4.05Å; I235-K239 HydrophobicContact CG2-CG 4.4Å; I235-K239 VanDerWaalsContact O-CB 3.31Å; I235-K239 WeakPolarHBondContact O-CB 3.24Å; I235-K239 VanDerWaalsContact O-CG 3.27Å; I235-K239 WeakPolarHBondContact O-CG 3.49Å; I235-K239 PolarHBondContact O-N 3.34Å |
| 236 | K | 68.5 | Low | 58.6 | Low | 151 Ų | 151 | 92.5 Ų | 92.5 | 66% | 0.657 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.7 | -45.8 | 173.5 | -78.2 | 172.1 | -175.9 | 170.7 | 0 | 111.6 | D232 E233 L234 A240 | D232-K236 WeakPolarHBondContact O-CB 3.35Å; D232-K236 VanDerWaalsContact O-CG 3.25Å; D232-K236 WeakPolarHBondContact O-CG 3.46Å; D232-K236 PolarHBondContact O-N 3.16Å; E233-K236 WeakPolarHBondContact O-CB 3.01Å; E233-K236 PolarHBondContact O-N 3.33Å; L234-K236 VanDerWaalsContact C-N 3.28Å; L234-K236 PolarHBondContact O-N 2.81Å; K236-A240 WeakPolarHBondContact O-CB 3.37Å; K236-A240 PolarHBondContact O-N 3.38Å |
| 237 | R | 59.7 | Low | 59.1 | Low | 185 Ų | 185 | 93.1 Ų | 93.1 | 70% | 0.698 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.1 | -44.8 | 175.9 | -96 | -175.8 | 170.3 | -177.6 | -1.3 | 112.6 | E233 L234 A240 R241 | E233-R237 PolarHBondContact O-N 3.4Å; L234-R237 WeakPolarHBondContact O-CB 3.38Å; L234-R237 PolarHBondContact O-N 2.8Å; L234-R237 VanDerWaalsContact O-N 3.15Å; R237-A240 PolarHBondContact O-N 2.86Å; R237-R241 WeakPolarHBondContact O-CB 3.38Å; R237-R241 PolarHBondContact O-N 3.5Å |
| 238 | E | 56.2 | Low | 58.9 | Low | 63 Ų | 63 | 96.3 Ų | 96.3 | 29% | 0.294 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | -179.6 | -176.4 | 60.5 | -165 | 0 | 0 | 111.3 | L234 I235 R241 R242 | L234-E238 WeakPolarHBondContact O-CB 3.41Å; L234-E238 PolarHBondContact O-N 3.14Å; I235-E238 PolarHBondContact O-N 2.89Å; E238-R241 PolarHBondContact O-N 3.27Å; E238-R241 IonicContact OE2-NH1 2.81Å; E238-R242 WeakPolarHBondContact O-CB 3.26Å; E238-R242 WeakPolarHBondContact O-CG 3.37Å; E238-R242 PolarHBondContact O-N 3.36Å; E238-R242 IonicContact OE1-CZ 3.88Å; E238-R242 IonicContact OE1-NE 3.8Å; E238-R242 PolarHBondContact OE1-NE 3.33Å; E238-R242 IonicContact OE1-NH2 3.68Å; E238-R242 PolarHBondContact OE1-NH2 3.16Å |
| 239 | K | 68.6 | Low | 58.1 | Low | 147 Ų | 147 | 99.9 Ų | 99.9 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 170.6 | -77.4 | 177.6 | 178.8 | 178.5 | 0 | 111.7 | I235 R242 S243 | I235-K239 HydrophobicContact CG2-CD 4.05Å; I235-K239 HydrophobicContact CG2-CG 4.4Å; I235-K239 VanDerWaalsContact O-CB 3.31Å; I235-K239 WeakPolarHBondContact O-CB 3.24Å; I235-K239 VanDerWaalsContact O-CG 3.27Å; I235-K239 WeakPolarHBondContact O-CG 3.49Å; I235-K239 PolarHBondContact O-N 3.34Å; K239-R242 PolarHBondContact O-N 3.06Å; K239-S243 WeakPolarHBondContact O-CB 3.43Å; K239-S243 PolarHBondContact O-N 2.91Å |
| 240 | A | 64.1 | Low | 57.1 | Low | 62 Ų | 62 | 100.1 Ų | 100.1 | 51% | 0.512 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K236 R237 S243 L244 | K236-A240 WeakPolarHBondContact O-CB 3.37Å; K236-A240 PolarHBondContact O-N 3.38Å; R237-A240 PolarHBondContact O-N 2.86Å; A240-S243 WeakPolarHBondContact O-CB 3.21Å; A240-S243 PolarHBondContact O-N 3.35Å; A240-L244 PolarHBondContact O-N 3.28Å |
| 241 | R | 56.3 | Low | 56.2 | Low | 113 Ų | 113 | 100.4 Ų | 100.4 | 43% | 0.426 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 175.9 | -178.8 | -173.2 | 154.3 | -169.5 | -8.8 | 111.6 | R237 E238 S243 L244 E245 D658 | R237-R241 WeakPolarHBondContact O-CB 3.38Å; R237-R241 PolarHBondContact O-N 3.5Å; E238-R241 PolarHBondContact O-N 3.27Å; E238-R241 IonicContact OE2-NH1 2.81Å; R241-S243 VanDerWaalsContact C-N 3.34Å; R241-S243 PolarHBondContact O-N 2.87Å; R241-L244 CarbonylContact O-C 3.44Å; R241-L244 WeakPolarHBondContact O-CA 3.38Å; R241-L244 WeakPolarHBondContact O-CB 3Å; R241-L244 PolarHBondContact O-N 3.44Å; R241-L244 VanDerWaalsContact O-N 3.11Å; R241-E245 HydrophobicContact CG-CG 4.44Å; R241-E245 IonicContact CZ-OE1 2.7Å; R241-E245 VanDerWaalsContact CZ-OE1 3.28Å; R241-E245 IonicContact NE-OE1 3.29Å; R241-E245 PolarHBondContact NE-OE1 3.04Å; R241-E245 IonicContact NH2-OE1 3.61Å; R241-E245 PolarHBondContact NH2-OE1 3.43Å; R241-E245 WeakPolarHBondContact O-CG 3.18Å; R241-E245 PolarHBondContact O-N 3.36Å; R241-D658 IonicContact NH1-OD2 3.26Å |
| 242 | R | 59.9 | Low | 55.4 | Low | 142 Ų | 142 | 108.8 Ų | 108.8 | 54% | 0.536 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -38.7 | 177.3 | -73.3 | 180 | -171.9 | -167.6 | 0.2 | 112.8 | E238 K239 L244 E245 S246 | E238-R242 WeakPolarHBondContact O-CB 3.26Å; E238-R242 WeakPolarHBondContact O-CG 3.37Å; E238-R242 PolarHBondContact O-N 3.36Å; E238-R242 IonicContact OE1-CZ 3.88Å; E238-R242 IonicContact OE1-NE 3.8Å; E238-R242 PolarHBondContact OE1-NE 3.33Å; E238-R242 IonicContact OE1-NH2 3.68Å; E238-R242 PolarHBondContact OE1-NH2 3.16Å; K239-R242 PolarHBondContact O-N 3.06Å; R242-L244 VanDerWaalsContact C-N 3.3Å; R242-L244 PolarHBondContact O-N 3.08Å; R242-E245 PolarHBondContact O-N 3.4Å; R242-S246 WeakPolarHBondContact O-CB 3.28Å; R242-S246 PolarHBondContact O-N 3.4Å; R242-S246 PolarHBondContact O-OG 3.29Å |
| 243 | S | 70.4 | Confident | 54 | Low | 78 Ų | 78 | 109.7 Ų | 109.7 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.4 | -40.1 | 172.6 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | K239 A240 R241 S246 S247 | K239-S243 WeakPolarHBondContact O-CB 3.43Å; K239-S243 PolarHBondContact O-N 2.91Å; A240-S243 WeakPolarHBondContact O-CB 3.21Å; A240-S243 PolarHBondContact O-N 3.35Å; R241-S243 VanDerWaalsContact C-N 3.34Å; R241-S243 PolarHBondContact O-N 2.87Å; S243-S246 PolarHBondContact O-OG 3.09Å; S243-S247 PolarHBondContact O-N 2.76Å |
| 244 | L | 60.9 | Low | 52.9 | Low | 120 Ų | 120 | 107.7 Ų | 107.7 | 63% | 0.628 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.6 | -45.9 | 174.9 | -149 | 86.2 | 0 | 0 | 0 | 111.6 | A240 R241 R242 S246 S247 L248 | A240-L244 PolarHBondContact O-N 3.28Å; R241-L244 CarbonylContact O-C 3.44Å; R241-L244 WeakPolarHBondContact O-CA 3.38Å; R241-L244 WeakPolarHBondContact O-CB 3Å; R241-L244 PolarHBondContact O-N 3.44Å; R241-L244 VanDerWaalsContact O-N 3.11Å; R242-L244 VanDerWaalsContact C-N 3.3Å; R242-L244 PolarHBondContact O-N 3.08Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-S246 PolarHBondContact O-N 3.21Å; L244-S247 WeakPolarHBondContact O-CB 3.49Å; L244-S247 PolarHBondContact O-N 3.22Å; L244-S247 VanDerWaalsContact O-N 3.09Å; L244-S247 PolarHBondContact O-OG 3.27Å; L244-L248 PolarHBondContact O-N 3.23Å |
| 245 | E | 51 | Low | 52.3 | Low | 91 Ų | 91 | 110.4 Ų | 110.4 | 43% | 0.425 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.6 | -38.6 | 177.1 | -75 | 175.2 | 174.7 | 0 | 0 | 111.7 | R241 R242 S247 L248 | R241-E245 HydrophobicContact CG-CG 4.44Å; R241-E245 IonicContact CZ-OE1 2.7Å; R241-E245 VanDerWaalsContact CZ-OE1 3.28Å; R241-E245 IonicContact NE-OE1 3.29Å; R241-E245 PolarHBondContact NE-OE1 3.04Å; R241-E245 IonicContact NH2-OE1 3.61Å; R241-E245 PolarHBondContact NH2-OE1 3.43Å; R241-E245 WeakPolarHBondContact O-CG 3.18Å; R241-E245 PolarHBondContact O-N 3.36Å; R242-E245 PolarHBondContact O-N 3.4Å; E245-S247 PolarHBondContact O-N 3.36Å; E245-L248 PolarHBondContact O-N 2.99Å |
| 246 | S | 59.4 | Low | 51.8 | Low | 100 Ų | 100 | 109.7 Ų | 109.7 | 70% | 0.699 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.1 | -19.6 | 175.1 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | R242 S243 L244 | R242-S246 WeakPolarHBondContact O-CB 3.28Å; R242-S246 PolarHBondContact O-N 3.4Å; R242-S246 PolarHBondContact O-OG 3.29Å; S243-S246 PolarHBondContact O-OG 3.09Å; L244-S246 VanDerWaalsContact C-N 3.34Å; L244-S246 PolarHBondContact O-N 3.21Å |
| 247 | S | 59.8 | Low | 51 | Low | 86 Ų | 86 | 104.4 Ų | 104.4 | 60% | 0.601 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -87.4 | -13.4 | 177.1 | 75.3 | 0 | 0 | 0 | 0 | 113.4 | S243 L244 E245 | S243-S247 PolarHBondContact O-N 2.76Å; L244-S247 WeakPolarHBondContact O-CB 3.49Å; L244-S247 PolarHBondContact O-N 3.22Å; L244-S247 VanDerWaalsContact O-N 3.09Å; L244-S247 PolarHBondContact O-OG 3.27Å; E245-S247 PolarHBondContact O-N 3.36Å |
| 248 | L | 41.8 | Very low | 50.7 | Low | 109 Ų | 109 | 96.3 Ų | 96.3 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -85.3 | 138.1 | 175.6 | -68.4 | 168.5 | 0 | 0 | 0 | 109.6 | L244 E245 V250 | L244-L248 PolarHBondContact O-N 3.23Å; E245-L248 PolarHBondContact O-N 2.99Å; L248-V250 PolarHBondContact O-N 3.28Å |
| 249 | P | 35.6 | Very low | 50.6 | Low | 123 Ų | 123 | 93.3 Ų | 93.3 | 80% | 0.799 | 52% | 0.517 | S | S | * | . | trans | -59.1 | 128.6 | 175.2 | 21.6 | -29.6 | 0 | 0 | 0 | 110.1 | S251 | P249-S251 PolarHBondContact O-N 3.1Š| ||
| 250 | V | 38.8 | Very low | 50.1 | Low | 135 Ų | 135 | 86.6 Ų | 86.6 | 82% | 0.818 | 49% | 0.488 | S | S | * | . | trans | -62.5 | 102.8 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | L248 Q252 | L248-V250 PolarHBondContact O-N 3.28Å; V250-Q252 PolarHBondContact O-N 3.14Å | ||
| 251 | S | 35.5 | Very low | 49.5 | Very low | 83 Ų | 83 | 83.7 Ų | 83.7 | 58% | 0.58 | 46% | 0.464 | S | S | * | . | trans | -65.5 | 125.4 | 166.7 | 128.6 | 0 | 0 | 0 | 0 | 108 | P249 V253 | P249-S251 PolarHBondContact O-N 3.1Å; S251-V253 PolarHBondContact O-N 2.98Å; S251-V253 VanDerWaalsContact O-N 3.1Å; S251-V253 WeakPolarHBondContact OG-CB 3.35Å; S251-V253 PolarHBondContact OG-N 2.72Å | ||
| 252 | Q | 31.1 | Very low | 49.4 | Very low | 192 Ų | 192 | 79.7 Ų | 79.7 | 90% | 0.897 | 45% | 0.45 | S | S | * | . | trans | -71.9 | 12.1 | 172.9 | -77.1 | -168.4 | -23 | 0 | 0 | 113.8 | V250 N254 | V250-Q252 PolarHBondContact O-N 3.14Å; Q252-N254 PolarHBondContact O-N 3.38Å | ||
| 253 | V | 35.3 | Very low | 49.1 | Very low | 109 Ų | 109 | 73.5 Ų | 73.5 | 66% | 0.661 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -80.7 | 114.1 | 169.7 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | S251 P255 | S251-V253 PolarHBondContact O-N 2.98Å; S251-V253 VanDerWaalsContact O-N 3.1Å; S251-V253 WeakPolarHBondContact OG-CB 3.35Å; S251-V253 PolarHBondContact OG-N 2.72Å; V253-P255 WeakPolarHBondContact O-CD 3.26Å |
| 254 | N | 41.5 | Very low | 48.5 | Very low | 79 Ų | 79 | 69.9 Ų | 69.9 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | trans | -48 | 114.7 | 171.5 | -78.8 | 1.1 | 0 | 0 | 0 | 109.2 | Q252 T256 E295 | Q252-N254 PolarHBondContact O-N 3.38Å; N254-T256 PolarHBondContact O-N 3.21Å; N254-T256 PolarHBondContact O-OG1 3.13Å; N254-E295 PolarHBondContact ND2-OE2 2.8Å | ||
| 255 | P | 43.4 | Very low | 48.2 | Very low | 88 Ų | 88 | 67.3 Ų | 67.3 | 57% | 0.571 | 39% | 0.387 | S | S | * | . | trans | -66.3 | 111.9 | -172.5 | -5.1 | 12.9 | 0 | 0 | 0 | 109.4 | V253 Q296 | V253-P255 WeakPolarHBondContact O-CD 3.26Å; P255-Q296 WeakPolarHBondContact O-CG 3.38Å; P255-Q296 PolarHBondContact O-NE2 2.86Å | ||
| 256 | T | 51.1 | Low | 48.2 | Very low | 47 Ų | 47 | 63 Ų | 63 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | trans | -94 | 136.1 | 174.1 | -55.5 | 0 | 0 | 0 | 0 | 107.6 | N254 E258 V297 | N254-T256 PolarHBondContact O-N 3.21Å; N254-T256 PolarHBondContact O-OG1 3.13Å; T256-E258 HydrophobicContact CG2-CG 4.23Å; T256-V297 WeakPolarHBondContact CG2-O 2.96Å | ||
| 257 | Y | 51.6 | Low | 48 | Very low | 41 Ų | 41 | 58.5 Ų | 58.5 | 16% | 0.161 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.4 | 173.4 | -175.8 | -95.2 | 0 | 0 | 0 | 110.4 | L259 T284 H288 V297 T298 L299 D507 | Y257-L259 HydrophobicContact CD1-CB 4.48Å; Y257-L259 HydrophobicContact CE1-CB 3.93Å; Y257-L259 HydrophobicContact CE1-CD1 4.33Å; Y257-T284 HydrophobicContact CE1-CG2 4.01Å; Y257-T284 WeakPolarHBondContact OH-CG2 3.1Å; Y257-H288 HydrophobicContact CD1-CB 3.95Å; Y257-H288 AromaticContact CD1-CD2 3.23Å; Y257-H288 WeakPolarHBondContact CD1-CD2 3.41Å; Y257-H288 AromaticContact CD1-CG 3.53Å; Y257-H288 AromaticContact CD1-NE2 3.74Å; Y257-H288 AromaticContact CD2-CE1 3.63Å; Y257-H288 AromaticContact CD2-ND1 3.92Å; Y257-H288 AromaticContact CD2-NE2 3.72Å; Y257-H288 AromaticContact CE1-CD2 3.02Å; Y257-H288 WeakPolarHBondContact CE1-CD2 3.32Å; Y257-H288 AromaticContact CE1-CG 3.82Å; Y257-H288 AromaticContact CE1-NE2 3.27Å; Y257-H288 VanDerWaalsContact CE1-NE2 3.27Å; Y257-H288 WeakPolarHBondContact CE1-NE2 3.25Å; Y257-H288 AromaticContact CE2-CD2 3.86Å; Y257-H288 AromaticContact CE2-CE1 3.5Å; Y257-H288 AromaticContact CE2-NE2 3.26Å; Y257-H288 VanDerWaalsContact CE2-NE2 3.26Å; Y257-H288 WeakPolarHBondContact CE2-NE2 3.4Å; Y257-H288 HydrophobicContact CG-CB 4.19Å; Y257-H288 AromaticContact CG-CD2 3.73Å; Y257-H288 AromaticContact CG-CE1 4Å; Y257-H288 AromaticContact CG-CG 3.68Å; Y257-H288 AromaticContact CG-ND1 3.91Å; Y257-H288 AromaticContact CG-NE2 3.94Å; Y257-H288 AromaticContact CZ-CD2 3.36Å; Y257-H288 AromaticContact CZ-CE1 3.76Å; Y257-H288 AromaticContact CZ-NE2 3.01Å; Y257-H288 PolarHBondContact OH-NE2 2.98Å; Y257-V297 PolarHBondContact N-O 3.27Å; Y257-T298 VanDerWaalsContact O-CA 3.26Å; Y257-T298 WeakPolarHBondContact O-CA 3.36Å; Y257-L299 PolarHBondContact O-N 3.33Å; Y257-L299 VanDerWaalsContact O-N 3.09Å; Y257-D507 WeakPolarHBondContact CA-OD2 3.03Å; Y257-D507 HydrophobicContact CD2-CB 3.86Å; Y257-D507 HydrophobicContact CE2-CB 3.62Å |
| 258 | E | 53.2 | Low | 48.6 | Very low | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.065 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.7 | -175.6 | -71.4 | 157.3 | -156.3 | 0 | 0 | 111.5 | T256 L299 R503 D507 C508 | T256-E258 HydrophobicContact CG2-CG 4.23Å; E258-L299 HydrophobicContact CG-CB 4.02Å; E258-R503 HydrophobicContact CG-CB 4.25Å; E258-R503 WeakPolarHBondContact OE1-CA 3.05Å; E258-R503 WeakPolarHBondContact OE1-CB 3.3Å; E258-R503 WeakPolarHBondContact OE1-CD 3.47Å; E258-R503 WeakPolarHBondContact OE1-CG 3.35Å; E258-R503 WeakPolarHBondContact OE2-CA 3.33Å; E258-D507 PolarHBondContact N-OD2 2.82Å; E258-D507 WeakPolarHBondContact O-CB 3.41Å; E258-D507 PolarHBondContact O-N 2.86Å; E258-C508 PolarHBondContact O-N 3.15Å |
| 259 | L | 54.3 | Low | 50.7 | Low | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.2 | 179.4 | -171.2 | 67.2 | 0 | 0 | 0 | 110 | Y257 P261 A281 T284 N285 L299 F300 T301 C508 V510 | Y257-L259 HydrophobicContact CD1-CB 4.48Å; Y257-L259 HydrophobicContact CE1-CB 3.93Å; Y257-L259 HydrophobicContact CE1-CD1 4.33Å; L259-P261 WeakPolarHBondContact O-CD 3.42Å; L259-A281 HydrophobicContact CD2-CB 3.88Å; L259-A281 WeakPolarHBondContact CD2-O 3.26Å; L259-A281 HydrophobicContact CG-CB 4.41Å; L259-T284 HydrophobicContact CD1-CG2 4.17Å; L259-T284 HydrophobicContact CD2-CG2 3.92Å; L259-N285 HydrophobicContact CD2-CB 4.12Å; L259-L299 PolarHBondContact N-O 2.89Å; L259-L299 VanDerWaalsContact O-O 3.12Å; L259-F300 HydrophobicContact CB-CD2 4.46Å; L259-F300 HydrophobicContact CD2-CD2 4.04Å; L259-F300 HydrophobicContact CD2-CE2 4.38Å; L259-F300 HydrophobicContact CG-CD2 4.31Å; L259-F300 VanDerWaalsContact O-CA 3.3Å; L259-F300 WeakPolarHBondContact O-CA 3.47Å; L259-T301 PolarHBondContact O-N 3.08Å; L259-C508 HydrophobicContact CD1-CB 3.57Å; L259-V510 HydrophobicContact CD1-CG2 3.8Å; L259-V510 HydrophobicContact CG-CG2 4.49Å |
| 260 | L | 57.5 | Low | 53.4 | Low | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 88.2 | 178.4 | -51.4 | -176.7 | 0 | 0 | 0 | 109.3 | T301 Y491 V494 W504 P506 C508 H509 V510 | L260-T301 HydrophobicContact CB-CG2 4.36Å; L260-T301 HydrophobicContact CD2-CG2 3.12Å; L260-T301 HydrophobicContact CG-CG2 4.27Å; L260-Y491 HydrophobicContact CB-CD1 3.73Å; L260-Y491 HydrophobicContact CB-CE1 3.87Å; L260-Y491 HydrophobicContact CD1-CD1 3.71Å; L260-Y491 HydrophobicContact CD1-CG 3.96Å; L260-Y491 HydrophobicContact CG-CD1 4.29Å; L260-V494 HydrophobicContact CD2-CG2 4.34Å; L260-W504 HydrophobicContact CD1-CZ3 4.19Å; L260-P506 HydrophobicContact CD1-CB 3.39Å; L260-P506 HydrophobicContact CD1-CG 3.68Å; L260-P506 HydrophobicContact CG-CB 3.64Å; L260-P506 HydrophobicContact CG-CG 4.41Å; L260-C508 PolarHBondContact N-O 3.44Å; L260-H509 WeakPolarHBondContact O-CA 3.47Å; L260-H509 PolarHBondContact O-ND1 3.16Å; L260-V510 PolarHBondContact O-N 3.24Å |
| 261 | P | 50.7 | Low | 56 | Low | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 161 | 164.6 | 34.9 | -46 | 0 | 0 | 0 | 111.7 | L259 A281 F300 T301 | L259-P261 WeakPolarHBondContact O-CD 3.42Å; P261-A281 HydrophobicContact CB-CB 3.66Å; P261-A281 HydrophobicContact CG-CB 4.21Å; P261-F300 HydrophobicContact CB-CE2 3.99Å; P261-F300 VanDerWaalsContact CD-CD2 3.4Å; P261-F300 HydrophobicContact CG-CD2 3.75Å; P261-F300 HydrophobicContact CG-CE2 3.22Å; P261-F300 HydrophobicContact CG-CZ 4.14Å; P261-T301 WeakPolarHBondContact CD-O 3.46Å; P261-T301 WeakPolarHBondContact CG-O 3.38Å |
| 262 | L | 55.8 | Low | 58.8 | Low | 29 Ų | 29 | 40.6 Ų | 40.6 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 155.2 | 178 | -172.2 | 66.9 | 0 | 0 | 0 | 114.9 | T277 T302 V510 I515 H519 | L262-T277 HydrophobicContact CB-CG2 4.41Å; L262-T302 PolarHBondContact O-OG1 3.46Å; L262-V510 PolarHBondContact N-O 3.49Å; L262-I515 HydrophobicContact CD1-CD1 3.16Å; L262-I515 HydrophobicContact CD2-CD1 3.29Å; L262-I515 HydrophobicContact CD2-CG1 4.49Å; L262-I515 HydrophobicContact CG-CD1 3.75Å; L262-H519 VanDerWaalsContact CD1-CE1 3.47Å; L262-H519 WeakPolarHBondContact CD1-CE1 3.45Å |
| 263 | L | 53.6 | Low | 61.8 | Low | 12 Ų | 12 | 32.2 Ų | 32.2 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125.3 | 156.6 | -64.7 | 179.5 | 0 | 0 | 0 | 112.1 | G303 D305 I348 T350 A487 N490 | L263-G303 CarbonylContact C-O 3.39Å; L263-G303 WeakPolarHBondContact CA-O 3.26Å; L263-G303 VanDerWaalsContact CD2-C 3.44Å; L263-G303 VanDerWaalsContact CD2-CA 3.45Å; L263-D305 HydrophobicContact CB-CB 4.2Å; L263-D305 HydrophobicContact CD1-CB 4.15Å; L263-I348 HydrophobicContact CD2-CG2 3.59Å; L263-T350 HydrophobicContact CD1-CG2 3.59Å; L263-A487 HydrophobicContact CD1-CB 4.19Å; L263-A487 WeakPolarHBondContact CD1-O 3.49Å; L263-N490 HydrophobicContact CD1-CB 3.69Å; L263-N490 HydrophobicContact CD2-CB 4.36Å; L263-N490 HydrophobicContact CG-CB 4.29Å |
| 264 | M | 56.1 | Low | 64.6 | Low | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 133.1 | 173.6 | -58.6 | -67.3 | -162.1 | 0 | 0 | 111 | V266 H274 S278 G303 T304 D305 Y333 M336 | M264-V266 PolarHBondContact O-N 2.8Å; M264-H274 HydrophobicContact CE-CB 3.62Å; M264-H274 WeakPolarHBondContact CE-O 3.27Å; M264-H274 HydrophobicContact SD-CB 3.64Å; M264-H274 PolarHBondContact SD-CD2 3.13Å; M264-S278 WeakPolarHBondContact CE-OG 3.3Å; M264-G303 PolarHBondContact N-O 3.48Å; M264-T304 WeakPolarHBondContact O-CA 3.49Å; M264-D305 PolarHBondContact O-N 3.41Å; M264-Y333 HydrophobicContact CB-CD1 3.69Å; M264-Y333 HydrophobicContact CB-CD2 4.37Å; M264-Y333 HydrophobicContact CB-CE1 3.27Å; M264-Y333 HydrophobicContact CB-CE2 4.03Å; M264-Y333 HydrophobicContact CB-CG 4.22Å; M264-Y333 VanDerWaalsContact CB-CZ 3.46Å; M264-Y333 HydrophobicContact CE-CE1 4.35Å; M264-Y333 HydrophobicContact CG-CD1 3.55Å; M264-Y333 HydrophobicContact CG-CE1 3.36Å; M264-Y333 HydrophobicContact CG-CG 4.41Å; M264-Y333 HydrophobicContact SD-CD1 4.49Å; M264-Y333 HydrophobicContact SD-CE1 3.9Å; M264-M336 HydrophobicContact CE-CE 4.28Å |
| 265 | E | 55.3 | Low | 67.1 | Low | 67 Ų | 67 | 24.6 Ų | 24.6 | 31% | 0.313 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 116.7 | 177.1 | -170.7 | -177 | 163.3 | 0 | 0 | 110.3 | G267 L268 K310 Y333 | E265-G267 PolarHBondContact O-N 2.82Å; E265-L268 PolarHBondContact O-N 2.88Å; E265-K310 WeakPolarHBondContact OE1-CD 3.48Å; E265-K310 WeakPolarHBondContact OE1-CE 3.26Å; E265-K310 IonicContact OE1-NZ 3.87Å; E265-K310 PolarHBondContact OE1-NZ 3.42Å; E265-K310 IonicContact OE2-NZ 3.35Å; E265-Y333 PolarHBondContact O-OH 3.31Å |
| 266 | V | 51.1 | Low | 69.6 | Low | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -10.6 | -178.8 | 174.4 | 0 | 0 | 0 | 0 | 113.3 | M264 L268 T304 D305 E306 C326 I329 | M264-V266 PolarHBondContact O-N 2.8Å; V266-L268 PolarHBondContact O-N 2.63Å; V266-T304 HydrophobicContact CG2-CG2 3.35Å; V266-D305 VanDerWaalsContact CB-O 3.29Å; V266-D305 WeakPolarHBondContact CB-O 3.36Å; V266-D305 VanDerWaalsContact CG2-O 3.31Å; V266-D305 WeakPolarHBondContact CG2-O 3.49Å; V266-D305 PolarHBondContact N-O 3.04Å; V266-D305 VanDerWaalsContact N-O 3.08Å; V266-E306 HydrophobicContact CB-CG 4.05Å; V266-E306 HydrophobicContact CG1-CG 4.11Å; V266-E306 HydrophobicContact CG2-CG 3.53Å; V266-C326 HydrophobicContact CG1-CB 4.28Å; V266-I329 HydrophobicContact CB-CG2 4.16Å; V266-I329 HydrophobicContact CG1-CB 3.67Å; V266-I329 HydrophobicContact CG1-CG1 4.3Å; V266-I329 HydrophobicContact CG1-CG2 3.71Å; V266-I329 HydrophobicContact CG2-CG2 4.35Å; V266-I329 WeakPolarHBondContact O-CG2 3.25Å |
| 267 | G | 56.1 | Low | 71.7 | Confident | 6 Ų | 6 | 19 Ų | 19 | 6% | 0.062 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -19.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E265 Y325 | E265-G267 PolarHBondContact O-N 2.82Å; G267-Y325 PolarHBondContact O-OH 3.46Å |
| 268 | L | 70.9 | Confident | 73.8 | Confident | 59 Ų | 59 | 17.1 Ų | 17.1 | 31% | 0.309 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -137.3 | 150.5 | -174.6 | -61 | 177.1 | 0 | 0 | 0 | 112.8 | E265 V266 Y333 | E265-L268 PolarHBondContact O-N 2.88Å; V266-L268 PolarHBondContact O-N 2.63Å; L268-Y333 PolarHBondContact O-OH 2.88Å |
| 269 | A | 86 | Confident | 75.9 | Confident | 51 Ų | 51 | 16.4 Ų | 16.4 | 42% | 0.421 | 10% | 0.095 | S | C | . | . | trans | -65.2 | 152.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 270 | P | 92.5 | Very high | 77.9 | Confident | 10 Ų | 10 | 16.5 Ų | 16.5 | 7% | 0.065 | 10% | 0.096 | C | C | . | . | trans | -57.7 | 147.3 | 178 | 21.7 | -32.5 | 0 | 0 | 0 | 112.3 | K332 Y333 M336 P561 | P270-K332 HydrophobicContact CG-CB 4.23Å; P270-Y333 HydrophobicContact CB-CD1 4Å; P270-Y333 HydrophobicContact CB-CE1 3.74Å; P270-M336 HydrophobicContact CB-CE 4.24Å; P270-M336 HydrophobicContact CB-SD 3.53Å; P270-M336 VanDerWaalsContact CB-SD 3.53Å; P270-M336 HydrophobicContact CG-SD 4.41Å; P270-P561 HydrophobicContact CB-CG 4.35Å; P270-P561 WeakPolarHBondContact O-CD 3.08Å | ||
| 271 | H | 93.3 | Very high | 79.7 | Confident | 40 Ų | 40 | 16.2 Ų | 16.2 | 19% | 0.185 | 9% | 0.094 | C | C | . | . | trans | -139.2 | 170.6 | 175.2 | 62.3 | 51.3 | 0 | 0 | 0 | 109.3 | G273 H274 L275 V558 V559 | H271-G273 WeakPolarHBondContact ND1-CA 3.41Å; H271-G273 PolarHBondContact ND1-N 2.63Å; H271-G273 PolarHBondContact O-N 3.36Å; H271-H274 AromaticContact CD2-CE1 3.42Å; H271-H274 PolarHBondContact CD2-CE1 3.22Å; H271-H274 VanDerWaalsContact CD2-CE1 3.42Å; H271-H274 AromaticContact CD2-ND1 3.44Å; H271-H274 PolarHBondContact CD2-ND1 3.3Å; H271-H274 AromaticContact CE1-CE1 3.54Å; H271-H274 AromaticContact CE1-CG 3.79Å; H271-H274 AromaticContact CE1-ND1 3.43Å; H271-H274 PolarHBondContact CE1-ND1 2.77Å; H271-H274 AromaticContact CE1-NE2 3.95Å; H271-H274 AromaticContact CG-CE1 3.92Å; H271-H274 AromaticContact CG-ND1 3.45Å; H271-H274 PolarHBondContact N-ND1 2.77Å; H271-H274 AromaticContact ND1-CE1 3.98Å; H271-H274 AromaticContact ND1-CG 3.87Å; H271-H274 PolarHBondContact ND1-N 3.34Å; H271-H274 AromaticContact ND1-ND1 3.44Å; H271-H274 PolarHBondContact ND1-ND1 2.94Å; H271-H274 AromaticContact NE2-CE1 3.19Å; H271-H274 PolarHBondContact NE2-CE1 2.93Å; H271-H274 AromaticContact NE2-ND1 3.46Å; H271-H274 PolarHBondContact NE2-ND1 3.2Å; H271-H274 AromaticContact NE2-NE2 3.8Å; H271-H274 WeakPolarHBondContact O-CA 3.36Å; H271-H274 VanDerWaalsContact O-CB 3.31Å; H271-H274 WeakPolarHBondContact O-CB 3.39Å; H271-H274 PolarHBondContact O-N 2.91Å; H271-L275 PolarHBondContact O-N 2.84Å; H271-L275 VanDerWaalsContact O-N 3.08Å; H271-V558 HydrophobicContact CB-CG1 3.61Å; H271-V559 VanDerWaalsContact CA-O 3.3Å; H271-V559 WeakPolarHBondContact CA-O 3.13Å; H271-V559 WeakPolarHBondContact CB-O 3.47Å | ||
| 272 | I | 94.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55.9 | -31.1 | -176.3 | 61.1 | 171.8 | 0 | 0 | 0 | 114.6 | L275 Y276 W544 V546 M551 V559 P561 Y589 | I272-L275 PolarHBondContact O-N 2.78Å; I272-Y276 WeakPolarHBondContact O-CB 3.25Å; I272-Y276 PolarHBondContact O-N 2.97Å; I272-W544 HydrophobicContact CD1-CB 4.19Å; I272-W544 HydrophobicContact CG1-CB 4.5Å; I272-V546 HydrophobicContact CD1-CG2 4.13Å; I272-M551 HydrophobicContact CD1-CE 4.25Å; I272-M551 HydrophobicContact CD1-SD 4.19Å; I272-M551 HydrophobicContact CG1-CE 3.7Å; I272-M551 HydrophobicContact CG1-SD 3.8Å; I272-V559 HydrophobicContact CD1-CB 4.13Å; I272-V559 HydrophobicContact CD1-CG2 4.4Å; I272-V559 HydrophobicContact CG1-CB 4.2Å; I272-V559 HydrophobicContact CG2-CB 3.79Å; I272-V559 HydrophobicContact CG2-CG1 3.5Å; I272-V559 VanDerWaalsContact CG2-CG1 3.5Å; I272-V559 PolarHBondContact N-O 2.78Å; I272-V559 VanDerWaalsContact N-O 3.15Å; I272-P561 HydrophobicContact CG2-CB 4.49Å; I272-Y589 HydrophobicContact CD1-CD1 4.09Å; I272-Y589 HydrophobicContact CD1-CD2 4.1Å; I272-Y589 HydrophobicContact CD1-CG 3.64Å |
| 273 | G | 93.4 | Very high | 83.8 | Confident | 15 Ų | 15 | 14.8 Ų | 14.8 | 16% | 0.155 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H271 Y276 T277 | H271-G273 WeakPolarHBondContact ND1-CA 3.41Å; H271-G273 PolarHBondContact ND1-N 2.63Å; H271-G273 PolarHBondContact O-N 3.36Å; G273-Y276 PolarHBondContact O-N 3.16Å; G273-T277 PolarHBondContact O-N 2.99Å; G273-T277 PolarHBondContact O-OG1 2.78Å |
| 274 | H | 93.5 | Very high | 85.8 | Confident | 28 Ų | 28 | 14.2 Ų | 14.2 | 13% | 0.13 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.5 | -49.1 | 172.6 | -63.8 | 127.3 | 0 | 0 | 0 | 110.3 | M264 H271 Y276 T277 S278 Y333 | M264-H274 HydrophobicContact CE-CB 3.62Å; M264-H274 WeakPolarHBondContact CE-O 3.27Å; M264-H274 HydrophobicContact SD-CB 3.64Å; M264-H274 PolarHBondContact SD-CD2 3.13Å; H271-H274 AromaticContact CD2-CE1 3.42Å; H271-H274 PolarHBondContact CD2-CE1 3.22Å; H271-H274 VanDerWaalsContact CD2-CE1 3.42Å; H271-H274 AromaticContact CD2-ND1 3.44Å; H271-H274 PolarHBondContact CD2-ND1 3.3Å; H271-H274 AromaticContact CE1-CE1 3.54Å; H271-H274 AromaticContact CE1-CG 3.79Å; H271-H274 AromaticContact CE1-ND1 3.43Å; H271-H274 PolarHBondContact CE1-ND1 2.77Å; H271-H274 AromaticContact CE1-NE2 3.95Å; H271-H274 AromaticContact CG-CE1 3.92Å; H271-H274 AromaticContact CG-ND1 3.45Å; H271-H274 PolarHBondContact N-ND1 2.77Å; H271-H274 AromaticContact ND1-CE1 3.98Å; H271-H274 AromaticContact ND1-CG 3.87Å; H271-H274 PolarHBondContact ND1-N 3.34Å; H271-H274 AromaticContact ND1-ND1 3.44Å; H271-H274 PolarHBondContact ND1-ND1 2.94Å; H271-H274 AromaticContact NE2-CE1 3.19Å; H271-H274 PolarHBondContact NE2-CE1 2.93Å; H271-H274 AromaticContact NE2-ND1 3.46Å; H271-H274 PolarHBondContact NE2-ND1 3.2Å; H271-H274 AromaticContact NE2-NE2 3.8Å; H271-H274 WeakPolarHBondContact O-CA 3.36Å; H271-H274 VanDerWaalsContact O-CB 3.31Å; H271-H274 WeakPolarHBondContact O-CB 3.39Å; H271-H274 PolarHBondContact O-N 2.91Å; H274-Y276 VanDerWaalsContact C-N 3.26Å; H274-Y276 PolarHBondContact O-N 2.88Å; H274-T277 PolarHBondContact O-N 3.2Å; H274-S278 PolarHBondContact O-N 3.48Å; H274-S278 VanDerWaalsContact O-N 3.16Å; H274-Y333 HydrophobicContact CB-CE1 4.06Å; H274-Y333 PolarHBondContact CE1-OH 2.83Å; H274-Y333 VanDerWaalsContact CE1-OH 3.24Å; H274-Y333 PolarHBondContact ND1-OH 3.45Å |
| 275 | L | 95.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -53.7 | -46.3 | 176.1 | 176.9 | 61.8 | 0 | 0 | 0 | 111.1 | H271 I272 T277 S278 L279 M336 F340 I342 P561 L573 L577 | H271-L275 PolarHBondContact O-N 2.84Å; H271-L275 VanDerWaalsContact O-N 3.08Å; I272-L275 PolarHBondContact O-N 2.78Å; L275-T277 PolarHBondContact O-N 3.01Å; L275-S278 CarbonylContact O-C 3.51Å; L275-S278 PolarHBondContact O-N 3.41Å; L275-S278 VanDerWaalsContact O-N 3.14Å; L275-L279 HydrophobicContact CD1-CD1 4.03Å; L275-L279 HydrophobicContact CD1-CD2 4.03Å; L275-L279 HydrophobicContact CD1-CG 3.78Å; L275-L279 HydrophobicContact CD2-CD1 4.22Å; L275-L279 HydrophobicContact CG-CD1 3.74Å; L275-L279 HydrophobicContact CG-CG 3.94Å; L275-L279 WeakPolarHBondContact O-CB 3.42Å; L275-L279 VanDerWaalsContact O-CG 3.24Å; L275-L279 WeakPolarHBondContact O-CG 3.48Å; L275-L279 PolarHBondContact O-N 2.81Å; L275-M336 HydrophobicContact CB-SD 3.95Å; L275-M336 HydrophobicContact CD1-CG 4.26Å; L275-M336 HydrophobicContact CD1-SD 4.27Å; L275-F340 HydrophobicContact CD1-CB 3.93Å; L275-F340 HydrophobicContact CD1-CD1 3.96Å; L275-F340 HydrophobicContact CD1-CD2 3.67Å; L275-F340 HydrophobicContact CD1-CE1 4.4Å; L275-F340 HydrophobicContact CD1-CE2 4.18Å; L275-F340 HydrophobicContact CD1-CG 3.55Å; L275-F340 HydrophobicContact CD1-CZ 4.49Å; L275-F340 HydrophobicContact CD2-CD1 3.9Å; L275-F340 HydrophobicContact CD2-CD2 4.19Å; L275-F340 HydrophobicContact CD2-CE1 3.53Å; L275-F340 HydrophobicContact CD2-CE2 3.89Å; L275-F340 HydrophobicContact CD2-CG 4.2Å; L275-F340 HydrophobicContact CD2-CZ 3.53Å; L275-I342 HydrophobicContact CD1-CD1 3.82Å; L275-P561 HydrophobicContact CB-CB 4.21Å; L275-P561 HydrophobicContact CD2-CB 3.72Å; L275-L573 HydrophobicContact CD2-CD2 3.89Å; L275-L573 HydrophobicContact CD2-CG 4.1Å; L275-L577 HydrophobicContact CB-CD1 4.47Å; L275-L577 HydrophobicContact CD2-CD1 3.68Å; L275-L577 HydrophobicContact CG-CD1 3.98Å |
| 276 | Y | 96.1 | Very high | 89.5 | Confident | 8 Ų | 8 | 12.6 Ų | 12.6 | 3% | 0.031 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | -178.7 | -179.2 | -125.5 | 0 | 0 | 0 | 113.3 | I272 G273 H274 S278 L279 I280 H541 W544 L577 G581 | I272-Y276 WeakPolarHBondContact O-CB 3.25Å; I272-Y276 PolarHBondContact O-N 2.97Å; G273-Y276 PolarHBondContact O-N 3.16Å; H274-Y276 VanDerWaalsContact C-N 3.26Å; H274-Y276 PolarHBondContact O-N 2.88Å; Y276-S278 VanDerWaalsContact C-N 3.35Å; Y276-S278 PolarHBondContact O-N 2.82Å; Y276-L279 PolarHBondContact O-N 2.67Å; Y276-I280 HydrophobicContact CD1-CD1 3.9Å; Y276-I280 HydrophobicContact CD2-CD1 4.13Å; Y276-I280 HydrophobicContact CD2-CG1 4.19Å; Y276-I280 HydrophobicContact CE1-CD1 3.49Å; Y276-I280 VanDerWaalsContact CE1-CD1 3.49Å; Y276-I280 HydrophobicContact CE1-CG1 4.5Å; Y276-I280 HydrophobicContact CE2-CD1 3.72Å; Y276-I280 HydrophobicContact CE2-CG1 3.85Å; Y276-I280 HydrophobicContact CG-CD1 4.22Å; Y276-I280 WeakPolarHBondContact O-CG1 3.4Å; Y276-I280 PolarHBondContact O-N 2.71Å; Y276-H541 AromaticContact CD1-CE1 3.91Å; Y276-H541 AromaticContact CD1-ND1 3.64Å; Y276-H541 HydrophobicContact CE1-CB 4.17Å; Y276-H541 AromaticContact CE1-CG 3.98Å; Y276-H541 AromaticContact CE1-ND1 3.63Å; Y276-W544 AromaticContact CD1-CD1 3.67Å; Y276-W544 AromaticContact CD1-NE1 3.07Å; Y276-W544 HydrophobicContact CD2-CZ2 4.22Å; Y276-W544 AromaticContact CD2-NE1 3.59Å; Y276-W544 AromaticContact CE1-NE1 3.53Å; Y276-W544 HydrophobicContact CE2-CZ2 4.17Å; Y276-W544 AromaticContact CG-CD1 3.88Å; Y276-W544 AromaticContact CG-NE1 3.09Å; Y276-W544 AromaticContact CZ-NE1 3.98Å; Y276-L577 HydrophobicContact CD2-CB 4.07Å; Y276-L577 VanDerWaalsContact CE2-O 3.28Å; Y276-L577 WeakPolarHBondContact CE2-O 3.03Å; Y276-G581 VanDerWaalsContact OH-C 3.23Å; Y276-G581 WeakPolarHBondContact OH-CA 3.21Å; Y276-G581 PolarHBondContact OH-O 2.78Å |
| 277 | T | 95.2 | Very high | 91.6 | Very high | 10 Ų | 10 | 12.6 Ų | 12.6 | 6% | 0.061 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 174.1 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | L262 G273 H274 L275 L279 A281 V510 H541 | L262-T277 HydrophobicContact CB-CG2 4.41Å; G273-T277 PolarHBondContact O-N 2.99Å; G273-T277 PolarHBondContact O-OG1 2.78Å; H274-T277 PolarHBondContact O-N 3.2Å; L275-T277 PolarHBondContact O-N 3.01Å; T277-L279 VanDerWaalsContact C-N 3.31Å; T277-L279 PolarHBondContact O-N 3.26Å; T277-A281 PolarHBondContact O-N 3.23Å; T277-V510 HydrophobicContact CG2-CG1 4.19Å; T277-H541 PolarHBondContact OG1-CE1 3.26Å; T277-H541 PolarHBondContact OG1-NE2 3.19Å |
| 278 | S | 95.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.3 | -36.8 | 177.2 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | M264 H274 L275 Y276 A281 D282 H337 | M264-S278 WeakPolarHBondContact CE-OG 3.3Å; H274-S278 PolarHBondContact O-N 3.48Å; H274-S278 VanDerWaalsContact O-N 3.16Å; L275-S278 CarbonylContact O-C 3.51Å; L275-S278 PolarHBondContact O-N 3.41Å; L275-S278 VanDerWaalsContact O-N 3.14Å; Y276-S278 VanDerWaalsContact C-N 3.35Å; Y276-S278 PolarHBondContact O-N 2.82Å; S278-A281 PolarHBondContact O-N 3.37Å; S278-D282 WeakPolarHBondContact O-CB 3.49Å; S278-D282 PolarHBondContact O-N 2.87Å; S278-H337 PolarHBondContact OG-NE2 2.92Å; S278-H337 VanDerWaalsContact OG-NE2 3.12Å |
| 279 | L | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -71.2 | -42 | 179.8 | -70.6 | -178.8 | 0 | 0 | 0 | 113.1 | L275 Y276 T277 A281 D282 A283 I342 R574 L577 L578 | L275-L279 HydrophobicContact CD1-CD1 4.03Å; L275-L279 HydrophobicContact CD1-CD2 4.03Å; L275-L279 HydrophobicContact CD1-CG 3.78Å; L275-L279 HydrophobicContact CD2-CD1 4.22Å; L275-L279 HydrophobicContact CG-CD1 3.74Å; L275-L279 HydrophobicContact CG-CG 3.94Å; L275-L279 WeakPolarHBondContact O-CB 3.42Å; L275-L279 VanDerWaalsContact O-CG 3.24Å; L275-L279 WeakPolarHBondContact O-CG 3.48Å; L275-L279 PolarHBondContact O-N 2.81Å; Y276-L279 PolarHBondContact O-N 2.67Å; T277-L279 VanDerWaalsContact C-N 3.31Å; T277-L279 PolarHBondContact O-N 3.26Å; L279-A281 PolarHBondContact O-N 2.98Å; L279-D282 PolarHBondContact O-N 3.39Å; L279-A283 WeakPolarHBondContact O-CB 3.27Å; L279-A283 PolarHBondContact O-N 3.45Å; L279-I342 HydrophobicContact CD2-CD1 4.16Å; L279-I342 HydrophobicContact CD2-CG1 4.09Å; L279-R574 HydrophobicContact CD1-CB 4.32Å; L279-R574 HydrophobicContact CD1-CG 4.19Å; L279-R574 HydrophobicContact CD2-CB 4.4Å; L279-R574 HydrophobicContact CD2-CG 3.66Å; L279-R574 VanDerWaalsContact CD2-CZ 3.48Å; L279-L577 HydrophobicContact CD1-CB 4.13Å; L279-L577 HydrophobicContact CD1-CD1 3.9Å; L279-L578 HydrophobicContact CB-CD1 4.43Å; L279-L578 HydrophobicContact CB-CD2 4.21Å; L279-L578 HydrophobicContact CB-CG 4.31Å |
| 280 | I | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -55.7 | -48.1 | 173.4 | -72.7 | 166.6 | 0 | 0 | 0 | 108.8 | Y276 T284 V510 F539 H541 L578 M660 F662 | Y276-I280 HydrophobicContact CD1-CD1 3.9Å; Y276-I280 HydrophobicContact CD2-CD1 4.13Å; Y276-I280 HydrophobicContact CD2-CG1 4.19Å; Y276-I280 HydrophobicContact CE1-CD1 3.49Å; Y276-I280 VanDerWaalsContact CE1-CD1 3.49Å; Y276-I280 HydrophobicContact CE1-CG1 4.5Å; Y276-I280 HydrophobicContact CE2-CD1 3.72Å; Y276-I280 HydrophobicContact CE2-CG1 3.85Å; Y276-I280 HydrophobicContact CG-CD1 4.22Å; Y276-I280 WeakPolarHBondContact O-CG1 3.4Å; Y276-I280 PolarHBondContact O-N 2.71Å; I280-T284 WeakPolarHBondContact O-CB 3.39Å; I280-T284 PolarHBondContact O-N 3.12Å; I280-T284 PolarHBondContact O-OG1 3.17Å; I280-V510 HydrophobicContact CB-CG1 4.16Å; I280-V510 HydrophobicContact CG2-CG1 3.73Å; I280-F539 HydrophobicContact CD1-CE1 4.26Å; I280-F539 HydrophobicContact CG2-CD1 4.02Å; I280-F539 HydrophobicContact CG2-CE1 3.77Å; I280-H541 HydrophobicContact CD1-CB 3.86Å; I280-L578 HydrophobicContact CG1-CD2 4.29Å; I280-M660 HydrophobicContact CG2-CE 3.44Å; I280-M660 VanDerWaalsContact CG2-CE 3.44Å; I280-F662 HydrophobicContact CG2-CE2 4.19Å |
| 281 | A | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -72.5 | -41.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L259 P261 T277 S278 L279 A283 T284 N285 F300 V510 | L259-A281 HydrophobicContact CD2-CB 3.88Å; L259-A281 WeakPolarHBondContact CD2-O 3.26Å; L259-A281 HydrophobicContact CG-CB 4.41Å; P261-A281 HydrophobicContact CB-CB 3.66Å; P261-A281 HydrophobicContact CG-CB 4.21Å; T277-A281 PolarHBondContact O-N 3.23Å; S278-A281 PolarHBondContact O-N 3.37Å; L279-A281 PolarHBondContact O-N 2.98Å; A281-A283 PolarHBondContact O-N 3.15Å; A281-T284 PolarHBondContact O-N 3.45Å; A281-N285 WeakPolarHBondContact O-CB 3.24Å; A281-N285 PolarHBondContact O-N 2.97Å; A281-F300 HydrophobicContact CB-CD2 4.3Å; A281-F300 HydrophobicContact CB-CE2 3.35Å; A281-F300 HydrophobicContact CB-CZ 3.9Å; A281-V510 HydrophobicContact CB-CB 4.18Å; A281-V510 HydrophobicContact CB-CG1 4.44Å; A281-V510 HydrophobicContact CB-CG2 3.88Å |
| 282 | D | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 173 | -179.5 | 66.3 | 0 | 0 | 0 | 111.5 | S278 L279 T284 N285 R286 F300 I342 E343 R574 | S278-D282 WeakPolarHBondContact O-CB 3.49Å; S278-D282 PolarHBondContact O-N 2.87Å; L279-D282 PolarHBondContact O-N 3.39Å; D282-T284 VanDerWaalsContact C-N 3.34Å; D282-T284 PolarHBondContact O-N 3.28Å; D282-N285 WeakPolarHBondContact O-CB 3.29Å; D282-N285 PolarHBondContact O-N 2.94Å; D282-R286 WeakPolarHBondContact O-CB 3.5Å; D282-R286 VanDerWaalsContact O-CG 3.27Å; D282-R286 WeakPolarHBondContact O-CG 3.17Å; D282-R286 PolarHBondContact O-N 3.27Å; D282-R286 IonicContact OD1-CZ 2.66Å; D282-R286 IonicContact OD1-NE 2.84Å; D282-R286 PolarHBondContact OD1-NE 3.41Å; D282-R286 IonicContact OD1-NH2 3.9Å; D282-R286 WeakPolarHBondContact OD2-CD 3.47Å; D282-R286 IonicContact OD2-CZ 3.42Å; D282-R286 IonicContact OD2-NE 3.01Å; D282-R286 PolarHBondContact OD2-NE 2.88Å; D282-F300 HydrophobicContact CB-CE1 3.92Å; D282-F300 HydrophobicContact CB-CZ 4.1Å; D282-I342 HydrophobicContact CB-CG1 4.35Å; D282-I342 HydrophobicContact CB-CG2 4.2Å; D282-E343 PolarHBondContact OD1-N 3.1Å; D282-R574 IonicContact OD2-CZ 2.69Å; D282-R574 VanDerWaalsContact OD2-CZ 3.29Å; D282-R574 IonicContact OD2-NH1 3.38Å; D282-R574 PolarHBondContact OD2-NH1 3.35Å; D282-R574 IonicContact OD2-NH2 3.23Å; D282-R574 PolarHBondContact OD2-NH2 3.3Å |
| 283 | A | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L279 A281 R286 W287 L578 F662 P718 | L279-A283 WeakPolarHBondContact O-CB 3.27Å; L279-A283 PolarHBondContact O-N 3.45Å; A281-A283 PolarHBondContact O-N 3.15Å; A283-R286 PolarHBondContact O-N 2.82Å; A283-W287 WeakPolarHBondContact O-CB 3.39Å; A283-W287 PolarHBondContact O-N 3.23Å; A283-L578 HydrophobicContact CB-CD1 3.98Å; A283-L578 HydrophobicContact CB-CD2 4.42Å; A283-F662 HydrophobicContact CB-CD1 3.89Å; A283-F662 HydrophobicContact CB-CE1 3.38Å; A283-F662 HydrophobicContact CB-CE2 4.28Å; A283-F662 HydrophobicContact CB-CZ 3.6Å; A283-P718 WeakPolarHBondContact CA-O 3.37Å; A283-P718 HydrophobicContact CB-CB 4.45Å; A283-P718 VanDerWaalsContact CB-O 3.32Å; A283-P718 WeakPolarHBondContact CB-O 3.17Å; A283-P718 WeakPolarHBondContact O-CB 3.48Å |
| 284 | T | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -46.5 | 172.6 | -63 | 0 | 0 | 0 | 0 | 111.1 | Y257 L259 I280 A281 D282 R286 W287 H288 M660 F662 | Y257-T284 HydrophobicContact CE1-CG2 4.01Å; Y257-T284 WeakPolarHBondContact OH-CG2 3.1Å; L259-T284 HydrophobicContact CD1-CG2 4.17Å; L259-T284 HydrophobicContact CD2-CG2 3.92Å; I280-T284 WeakPolarHBondContact O-CB 3.39Å; I280-T284 PolarHBondContact O-N 3.12Å; I280-T284 PolarHBondContact O-OG1 3.17Å; A281-T284 PolarHBondContact O-N 3.45Å; D282-T284 VanDerWaalsContact C-N 3.34Å; D282-T284 PolarHBondContact O-N 3.28Å; T284-R286 PolarHBondContact O-N 3.35Å; T284-W287 WeakPolarHBondContact O-CB 3.28Å; T284-W287 PolarHBondContact O-N 3.08Å; T284-H288 PolarHBondContact O-CD2 3Å; T284-H288 PolarHBondContact O-N 2.82Å; T284-M660 HydrophobicContact CG2-CE 4.27Å; T284-M660 HydrophobicContact CG2-CG 4.38Å; T284-M660 HydrophobicContact CG2-SD 4.48Å; T284-M660 WeakPolarHBondContact OG1-CE 3.34Å; T284-F662 WeakPolarHBondContact OG1-CZ 3.34Å |
| 285 | N | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 177.6 | -177.8 | 47.6 | 0 | 0 | 0 | 111.7 | L259 A281 D282 W287 H288 K289 T298 F300 | L259-N285 HydrophobicContact CD2-CB 4.12Å; A281-N285 WeakPolarHBondContact O-CB 3.24Å; A281-N285 PolarHBondContact O-N 2.97Å; D282-N285 WeakPolarHBondContact O-CB 3.29Å; D282-N285 PolarHBondContact O-N 2.94Å; N285-W287 VanDerWaalsContact C-N 3.33Å; N285-W287 PolarHBondContact O-N 3.08Å; N285-H288 PolarHBondContact O-N 3.16Å; N285-K289 WeakPolarHBondContact O-CG 3.48Å; N285-K289 PolarHBondContact O-N 2.98Å; N285-T298 WeakPolarHBondContact OD1-CB 3.39Å; N285-T298 PolarHBondContact OD1-OG1 2.81Å; N285-F300 HydrophobicContact CB-CB 3.96Å; N285-F300 HydrophobicContact CB-CD1 4.11Å; N285-F300 HydrophobicContact CB-CG 3.99Å; N285-F300 VanDerWaalsContact CG-CB 3.47Å; N285-F300 WeakPolarHBondContact ND2-CB 3.16Å |
| 286 | R | 95 | Very high | 90.4 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 176.7 | -71.8 | 177.3 | -179.4 | -68.4 | -5.1 | 112.2 | D282 A283 T284 K289 L290 A341 E343 P718 | D282-R286 WeakPolarHBondContact O-CB 3.5Å; D282-R286 VanDerWaalsContact O-CG 3.27Å; D282-R286 WeakPolarHBondContact O-CG 3.17Å; D282-R286 PolarHBondContact O-N 3.27Å; D282-R286 IonicContact OD1-CZ 2.66Å; D282-R286 IonicContact OD1-NE 2.84Å; D282-R286 PolarHBondContact OD1-NE 3.41Å; D282-R286 IonicContact OD1-NH2 3.9Å; D282-R286 WeakPolarHBondContact OD2-CD 3.47Å; D282-R286 IonicContact OD2-CZ 3.42Å; D282-R286 IonicContact OD2-NE 3.01Å; D282-R286 PolarHBondContact OD2-NE 2.88Å; A283-R286 PolarHBondContact O-N 2.82Å; T284-R286 PolarHBondContact O-N 3.35Å; R286-K289 PolarHBondContact O-N 3.42Å; R286-L290 WeakPolarHBondContact O-CB 3.48Å; R286-L290 PolarHBondContact O-N 2.84Å; R286-A341 PolarHBondContact NH2-O 3.49Å; R286-E343 IonicContact CZ-OE2 2.81Å; R286-E343 IonicContact NH1-OE2 2.65Å; R286-E343 PolarHBondContact NH1-OE2 3.24Å; R286-E343 IonicContact NH2-OE2 3.03Å; R286-E343 PolarHBondContact NH2-OE2 3.34Å; R286-P718 HydrophobicContact CB-CB 3.97Å; R286-P718 HydrophobicContact CB-CG 4.46Å |
| 287 | W | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 174.3 | 168.2 | -123 | 0 | 0 | 0 | 112.1 | A283 T284 N285 L290 K291 A654 Y657 D658 P718 F740 | A283-W287 WeakPolarHBondContact O-CB 3.39Å; A283-W287 PolarHBondContact O-N 3.23Å; T284-W287 WeakPolarHBondContact O-CB 3.28Å; T284-W287 PolarHBondContact O-N 3.08Å; N285-W287 VanDerWaalsContact C-N 3.33Å; N285-W287 PolarHBondContact O-N 3.08Å; W287-L290 HydrophobicContact CE3-CB 4.4Å; W287-L290 HydrophobicContact CE3-CD2 4.06Å; W287-L290 HydrophobicContact CZ3-CD2 4.07Å; W287-L290 WeakPolarHBondContact O-CB 3.44Å; W287-L290 PolarHBondContact O-N 3.31Å; W287-K291 HydrophobicContact CD2-CD 4.37Å; W287-K291 HydrophobicContact CD2-CG 4.41Å; W287-K291 HydrophobicContact CE3-CG 4.3Å; W287-K291 HydrophobicContact CH2-CD 3.65Å; W287-K291 HydrophobicContact CH2-CG 3.69Å; W287-K291 HydrophobicContact CZ2-CD 3.27Å; W287-K291 VanDerWaalsContact CZ2-CE 3.48Å; W287-K291 HydrophobicContact CZ2-CG 3.82Å; W287-K291 HydrophobicContact CZ3-CD 4.35Å; W287-K291 HydrophobicContact CZ3-CG 3.96Å; W287-K291 VanDerWaalsContact NE1-CE 3.33Å; W287-K291 PolarHBondContact O-N 2.74Å; W287-A654 HydrophobicContact CH2-CB 3.53Å; W287-A654 HydrophobicContact CZ2-CB 3.52Å; W287-Y657 HydrophobicContact CB-CD2 4.41Å; W287-Y657 AromaticContact CD2-CD2 3.65Å; W287-Y657 HydrophobicContact CD2-CD2 3.65Å; W287-Y657 HydrophobicContact CD2-CG 4.15Å; W287-Y657 AromaticContact CE3-CD2 3.58Å; W287-Y657 HydrophobicContact CE3-CD2 3.58Å; W287-Y657 HydrophobicContact CE3-CE2 4.32Å; W287-Y657 HydrophobicContact CG-CD2 4.04Å; W287-Y657 HydrophobicContact CG-CG 4.21Å; W287-Y657 HydrophobicContact CZ3-CD2 4.11Å; W287-D658 PolarHBondContact NE1-OD1 3.49Å; W287-P718 HydrophobicContact CB-CB 4.36Å; W287-P718 HydrophobicContact CB-CG 4.16Å; W287-F740 AromaticContact CH2-CD2 3.69Å; W287-F740 HydrophobicContact CH2-CD2 3.69Å; W287-F740 HydrophobicContact CH2-CE1 4.5Å; W287-F740 AromaticContact CH2-CE2 3.68Å; W287-F740 HydrophobicContact CH2-CE2 3.68Å; W287-F740 HydrophobicContact CH2-CG 4.13Å; W287-F740 HydrophobicContact CH2-CZ 4.11Å; W287-F740 AromaticContact CZ3-CD2 3.7Å; W287-F740 HydrophobicContact CZ3-CD2 3.7Å; W287-F740 HydrophobicContact CZ3-CE2 4.08Å; W287-F740 HydrophobicContact CZ3-CG 4.23Å |
| 288 | H | 92.4 | Very high | 89.1 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67 | -40.1 | 175.8 | -72 | -71.1 | 0 | 0 | 0 | 112.2 | Y257 T284 N285 L290 K291 A292 T298 | Y257-H288 HydrophobicContact CD1-CB 3.95Å; Y257-H288 AromaticContact CD1-CD2 3.23Å; Y257-H288 WeakPolarHBondContact CD1-CD2 3.41Å; Y257-H288 AromaticContact CD1-CG 3.53Å; Y257-H288 AromaticContact CD1-NE2 3.74Å; Y257-H288 AromaticContact CD2-CE1 3.63Å; Y257-H288 AromaticContact CD2-ND1 3.92Å; Y257-H288 AromaticContact CD2-NE2 3.72Å; Y257-H288 AromaticContact CE1-CD2 3.02Å; Y257-H288 WeakPolarHBondContact CE1-CD2 3.32Å; Y257-H288 AromaticContact CE1-CG 3.82Å; Y257-H288 AromaticContact CE1-NE2 3.27Å; Y257-H288 VanDerWaalsContact CE1-NE2 3.27Å; Y257-H288 WeakPolarHBondContact CE1-NE2 3.25Å; Y257-H288 AromaticContact CE2-CD2 3.86Å; Y257-H288 AromaticContact CE2-CE1 3.5Å; Y257-H288 AromaticContact CE2-NE2 3.26Å; Y257-H288 VanDerWaalsContact CE2-NE2 3.26Å; Y257-H288 WeakPolarHBondContact CE2-NE2 3.4Å; Y257-H288 HydrophobicContact CG-CB 4.19Å; Y257-H288 AromaticContact CG-CD2 3.73Å; Y257-H288 AromaticContact CG-CE1 4Å; Y257-H288 AromaticContact CG-CG 3.68Å; Y257-H288 AromaticContact CG-ND1 3.91Å; Y257-H288 AromaticContact CG-NE2 3.94Å; Y257-H288 AromaticContact CZ-CD2 3.36Å; Y257-H288 AromaticContact CZ-CE1 3.76Å; Y257-H288 AromaticContact CZ-NE2 3.01Å; Y257-H288 PolarHBondContact OH-NE2 2.98Å; T284-H288 PolarHBondContact O-CD2 3Å; T284-H288 PolarHBondContact O-N 2.82Å; N285-H288 PolarHBondContact O-N 3.16Å; H288-L290 VanDerWaalsContact C-N 3.29Å; H288-L290 PolarHBondContact O-N 2.87Å; H288-K291 PolarHBondContact O-N 3.36Å; H288-A292 WeakPolarHBondContact O-CB 3.5Å; H288-A292 PolarHBondContact O-N 3.44Å; H288-T298 HydrophobicContact CB-CG2 4.03Å |
| 289 | K | 91.6 | Very high | 88.5 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 33% | 0.326 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.8 | -38.3 | 171 | -73.8 | 179.5 | 172.7 | 175.5 | 0 | 112.6 | N285 R286 K291 A292 T298 E343 | N285-K289 WeakPolarHBondContact O-CG 3.48Å; N285-K289 PolarHBondContact O-N 2.98Å; R286-K289 PolarHBondContact O-N 3.42Å; K289-K291 PolarHBondContact O-N 3.36Å; K289-A292 PolarHBondContact O-N 2.68Å; K289-T298 VanDerWaalsContact CE-OG1 3.22Å; K289-T298 WeakPolarHBondContact CE-OG1 3.44Å; K289-T298 HydrophobicContact CG-CG2 4.01Å; K289-T298 WeakPolarHBondContact CG-OG1 3.2Å; K289-E343 IonicContact NZ-OE1 2.77Å; K289-E343 PolarHBondContact NZ-OE1 2.61Å |
| 290 | L | 93.1 | Very high | 88.2 | Confident | 19 Ų | 19 | 41.2 Ų | 41.2 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.9 | -28.6 | -179.9 | -169.7 | 66.6 | 0 | 0 | 0 | 112.9 | R286 W287 H288 I714 P718 R738 F740 | R286-L290 WeakPolarHBondContact O-CB 3.48Å; R286-L290 PolarHBondContact O-N 2.84Å; W287-L290 HydrophobicContact CE3-CB 4.4Å; W287-L290 HydrophobicContact CE3-CD2 4.06Å; W287-L290 HydrophobicContact CZ3-CD2 4.07Å; W287-L290 WeakPolarHBondContact O-CB 3.44Å; W287-L290 PolarHBondContact O-N 3.31Å; H288-L290 VanDerWaalsContact C-N 3.29Å; H288-L290 PolarHBondContact O-N 2.87Å; L290-I714 HydrophobicContact CD1-CG2 4.1Å; L290-I714 HydrophobicContact CD2-CG2 4.28Å; L290-P718 HydrophobicContact CD2-CG 4.25Å; L290-R738 VanDerWaalsContact CD1-O 3.32Å; L290-R738 WeakPolarHBondContact CD1-O 3.23Å; L290-F740 HydrophobicContact CG-CB 4.2Å; L290-F740 WeakPolarHBondContact O-CB 3.47Å; L290-F740 PolarHBondContact O-N 3.37Å |
| 291 | K | 89.5 | Confident | 88 | Confident | 71 Ų | 71 | 41.1 Ų | 41.1 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -94.2 | -18.4 | 175.8 | -69.4 | -171.7 | -69.4 | 174.4 | 0 | 114.2 | W287 H288 K289 D658 F740 | W287-K291 HydrophobicContact CD2-CD 4.37Å; W287-K291 HydrophobicContact CD2-CG 4.41Å; W287-K291 HydrophobicContact CE3-CG 4.3Å; W287-K291 HydrophobicContact CH2-CD 3.65Å; W287-K291 HydrophobicContact CH2-CG 3.69Å; W287-K291 HydrophobicContact CZ2-CD 3.27Å; W287-K291 VanDerWaalsContact CZ2-CE 3.48Å; W287-K291 HydrophobicContact CZ2-CG 3.82Å; W287-K291 HydrophobicContact CZ3-CD 4.35Å; W287-K291 HydrophobicContact CZ3-CG 3.96Å; W287-K291 VanDerWaalsContact NE1-CE 3.33Å; W287-K291 PolarHBondContact O-N 2.74Å; H288-K291 PolarHBondContact O-N 3.36Å; K289-K291 PolarHBondContact O-N 3.36Å; K291-D658 IonicContact NZ-OD1 3.3Å; K291-D658 PolarHBondContact NZ-OD1 3.04Å; K291-D658 IonicContact NZ-OD2 2.82Å; K291-F740 HydrophobicContact CG-CB 4.15Å; K291-F740 HydrophobicContact CG-CD1 4.14Å; K291-F740 HydrophobicContact CG-CG 4.17Å |
| 292 | A | 85.3 | Confident | 87.9 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 25% | 0.248 | 21% | 0.207 | C | C | . | . | trans | -62 | 143.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H288 K289 Q296 | H288-A292 WeakPolarHBondContact O-CB 3.5Å; H288-A292 PolarHBondContact O-N 3.44Å; K289-A292 PolarHBondContact O-N 2.68Å; A292-Q296 HydrophobicContact CB-CB 3.89Å | ||
| 293 | T | 77.5 | Confident | 87.7 | Confident | 83 Ų | 83 | 41.2 Ų | 41.2 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | trans | -74.3 | 165.6 | 162.2 | 70.2 | 0 | 0 | 0 | 0 | 110 | E295 Q296 | T293-E295 PolarHBondContact O-N 3.23Å; T293-E295 VanDerWaalsContact O-N 3.07Å; T293-Q296 PolarHBondContact O-N 3.35Å; T293-Q296 WeakPolarHBondContact OG1-CG 2.91Å | ||
| 294 | E | 71.9 | Confident | 87.5 | Confident | 210 Ų | 210 | 41.2 Ų | 41.2 | 98% | 0.981 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.2 | 178.6 | -65.3 | -178 | 174.7 | 0 | 0 | 113.5 | ||
| 295 | E | 73.8 | Confident | 87.4 | Confident | 134 Ų | 134 | 42 Ų | 42 | 63% | 0.626 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -14.6 | 178.9 | -59.7 | -177.1 | -169.6 | 0 | 0 | 113.8 | N254 T293 | N254-E295 PolarHBondContact ND2-OE2 2.8Å; T293-E295 PolarHBondContact O-N 3.23Å; T293-E295 VanDerWaalsContact O-N 3.07Å |
| 296 | Q | 76.4 | Confident | 87.4 | Confident | 60 Ų | 60 | 42 Ų | 42 | 28% | 0.28 | 21% | 0.211 | S | C | . | . | trans | -86.8 | 125.6 | -178.7 | -72.5 | -176.7 | -62.8 | 0 | 0 | 110.6 | P255 A292 T293 | P255-Q296 WeakPolarHBondContact O-CG 3.38Å; P255-Q296 PolarHBondContact O-NE2 2.86Å; A292-Q296 HydrophobicContact CB-CB 3.89Å; T293-Q296 PolarHBondContact O-N 3.35Å; T293-Q296 WeakPolarHBondContact OG1-CG 2.91Å | ||
| 297 | V | 78.6 | Confident | 87.3 | Confident | 81 Ų | 81 | 40.4 Ų | 40.4 | 49% | 0.491 | 21% | 0.205 | S | C | . | . | trans | -107.5 | 144.3 | 177.9 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | T256 Y257 | T256-V297 WeakPolarHBondContact CG2-O 2.96Å; Y257-V297 PolarHBondContact N-O 3.27Å | ||
| 298 | T | 83.7 | Confident | 87 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 142.4 | 170.4 | 69.4 | 0 | 0 | 0 | 0 | 110.6 | Y257 N285 H288 K289 | Y257-T298 VanDerWaalsContact O-CA 3.26Å; Y257-T298 WeakPolarHBondContact O-CA 3.36Å; N285-T298 WeakPolarHBondContact OD1-CB 3.39Å; N285-T298 PolarHBondContact OD1-OG1 2.81Å; H288-T298 HydrophobicContact CB-CG2 4.03Å; K289-T298 VanDerWaalsContact CE-OG1 3.22Å; K289-T298 WeakPolarHBondContact CE-OG1 3.44Å; K289-T298 HydrophobicContact CG-CG2 4.01Å; K289-T298 WeakPolarHBondContact CG-OG1 3.2Å |
| 299 | L | 84.3 | Confident | 86.8 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.105 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.1 | 172.7 | -174 | 71.4 | 0 | 0 | 0 | 108.8 | Y257 E258 L259 | Y257-L299 PolarHBondContact O-N 3.33Å; Y257-L299 VanDerWaalsContact O-N 3.09Å; E258-L299 HydrophobicContact CG-CB 4.02Å; L259-L299 PolarHBondContact N-O 2.89Å; L259-L299 VanDerWaalsContact O-O 3.12Å |
| 300 | F | 90.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 113.6 | 177.7 | 171.5 | -138.6 | 0 | 0 | 0 | 110 | L259 P261 A281 D282 N285 I342 E343 T344 S345 Q346 | L259-F300 HydrophobicContact CB-CD2 4.46Å; L259-F300 HydrophobicContact CD2-CD2 4.04Å; L259-F300 HydrophobicContact CD2-CE2 4.38Å; L259-F300 HydrophobicContact CG-CD2 4.31Å; L259-F300 VanDerWaalsContact O-CA 3.3Å; L259-F300 WeakPolarHBondContact O-CA 3.47Å; P261-F300 HydrophobicContact CB-CE2 3.99Å; P261-F300 VanDerWaalsContact CD-CD2 3.4Å; P261-F300 HydrophobicContact CG-CD2 3.75Å; P261-F300 HydrophobicContact CG-CE2 3.22Å; P261-F300 HydrophobicContact CG-CZ 4.14Å; A281-F300 HydrophobicContact CB-CD2 4.3Å; A281-F300 HydrophobicContact CB-CE2 3.35Å; A281-F300 HydrophobicContact CB-CZ 3.9Å; D282-F300 HydrophobicContact CB-CE1 3.92Å; D282-F300 HydrophobicContact CB-CZ 4.1Å; N285-F300 HydrophobicContact CB-CB 3.96Å; N285-F300 HydrophobicContact CB-CD1 4.11Å; N285-F300 HydrophobicContact CB-CG 3.99Å; N285-F300 VanDerWaalsContact CG-CB 3.47Å; N285-F300 WeakPolarHBondContact ND2-CB 3.16Å; F300-I342 HydrophobicContact CE1-CG2 3.95Å; F300-I342 HydrophobicContact CZ-CG2 4.22Å; F300-E343 VanDerWaalsContact CD1-O 3.29Å; F300-E343 WeakPolarHBondContact CD1-O 3.23Å; F300-T344 HydrophobicContact CD1-CG2 4Å; F300-T344 HydrophobicContact CE1-CG2 3.61Å; F300-T344 HydrophobicContact CZ-CG2 4.04Å; F300-T344 CarbonylContact O-C 3.6Å; F300-S345 PolarHBondContact N-OG 3.18Å; F300-S345 WeakPolarHBondContact O-CA 3.2Å; F300-S345 WeakPolarHBondContact O-CB 3.22Å; F300-S345 PolarHBondContact O-N 3.05Å; F300-Q346 PolarHBondContact O-N 3.3Å |
| 301 | T | 91.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 132.3 | -173.1 | -178 | 0 | 0 | 0 | 0 | 113.3 | L259 L260 P261 Q346 V494 | L259-T301 PolarHBondContact O-N 3.08Å; L260-T301 HydrophobicContact CB-CG2 4.36Å; L260-T301 HydrophobicContact CD2-CG2 3.12Å; L260-T301 HydrophobicContact CG-CG2 4.27Å; P261-T301 WeakPolarHBondContact CD-O 3.46Å; P261-T301 WeakPolarHBondContact CG-O 3.38Å; T301-Q346 WeakPolarHBondContact CA-O 3.42Å; T301-Q346 PolarHBondContact OG1-O 3.11Å; T301-V494 HydrophobicContact CG2-CB 4.22Å; T301-V494 HydrophobicContact CG2-CG1 4.44Å; T301-V494 HydrophobicContact CG2-CG2 3.62Å; T301-V494 WeakPolarHBondContact OG1-CG1 3.21Å |
| 302 | T | 92.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | -170.2 | 176 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | L262 H337 T344 Q346 F347 I348 | L262-T302 PolarHBondContact O-OG1 3.46Å; T302-H337 WeakPolarHBondContact CG2-CE1 3.21Å; T302-T344 HydrophobicContact CG2-CG2 3.4Å; T302-Q346 PolarHBondContact N-O 2.75Å; T302-F347 HydrophobicContact CG2-CD2 3.85Å; T302-F347 HydrophobicContact CG2-CE2 4.24Å; T302-F347 CarbonylContact O-C 3.3Å; T302-F347 VanDerWaalsContact O-CA 3.29Å; T302-F347 WeakPolarHBondContact O-CA 3.48Å; T302-I348 PolarHBondContact O-N 2.97Å |
| 303 | G | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -159.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L263 M264 I348 | L263-G303 CarbonylContact C-O 3.39Å; L263-G303 WeakPolarHBondContact CA-O 3.26Å; L263-G303 VanDerWaalsContact CD2-C 3.44Å; L263-G303 VanDerWaalsContact CD2-CA 3.45Å; M264-G303 PolarHBondContact N-O 3.48Å; G303-I348 CarbonylContact C-O 3.56Å; G303-I348 WeakPolarHBondContact CA-O 3.39Å |
| 304 | T | 94.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.4 | -179.9 | 38.6 | 0 | 0 | 0 | 0 | 112.5 | M264 V266 E306 S330 Y333 F347 I348 R349 T350 | M264-T304 WeakPolarHBondContact O-CA 3.49Å; V266-T304 HydrophobicContact CG2-CG2 3.35Å; T304-E306 PolarHBondContact OG1-OE1 3.47Å; T304-S330 PolarHBondContact OG1-OG 3.14Å; T304-Y333 HydrophobicContact CG2-CD2 3.92Å; T304-Y333 HydrophobicContact CG2-CG 4.31Å; T304-F347 HydrophobicContact CG2-CE1 4.16Å; T304-F347 HydrophobicContact CG2-CZ 3.91Å; T304-I348 PolarHBondContact N-O 3.43Å; T304-R349 WeakPolarHBondContact OG1-CG 3.15Å; T304-T350 PolarHBondContact O-N 3.39Å; T304-T350 VanDerWaalsContact O-N 3.11Å |
| 305 | D | 93.2 | Very high | 88.4 | Confident | 16 Ų | 16 | 27.8 Ų | 27.8 | 9% | 0.086 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 115.9 | 164.6 | -178.4 | 16.7 | 0 | 0 | 0 | 109.2 | L263 M264 V266 Y307 T350 A487 | L263-D305 HydrophobicContact CB-CB 4.2Å; L263-D305 HydrophobicContact CD1-CB 4.15Å; M264-D305 PolarHBondContact O-N 3.41Å; V266-D305 VanDerWaalsContact CB-O 3.29Å; V266-D305 WeakPolarHBondContact CB-O 3.36Å; V266-D305 VanDerWaalsContact CG2-O 3.31Å; V266-D305 WeakPolarHBondContact CG2-O 3.49Å; V266-D305 PolarHBondContact N-O 3.04Å; V266-D305 VanDerWaalsContact N-O 3.08Å; D305-Y307 PolarHBondContact OD1-N 3.05Å; D305-T350 HydrophobicContact CB-CG2 4.49Å; D305-T350 PolarHBondContact OD1-OG1 2.87Å; D305-A487 HydrophobicContact CB-CB 4.34Å |
| 306 | E | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -111.3 | 0.6 | -167.3 | -76.5 | 177.1 | -159.8 | 0 | 0 | 113.5 | V266 T304 C326 R349 T350 T351 W469 | V266-E306 HydrophobicContact CB-CG 4.05Å; V266-E306 HydrophobicContact CG1-CG 4.11Å; V266-E306 HydrophobicContact CG2-CG 3.53Å; T304-E306 PolarHBondContact OG1-OE1 3.47Å; E306-C326 HydrophobicContact CB-CB 4.34Å; E306-C326 HydrophobicContact CG-CB 4.01Å; E306-R349 WeakPolarHBondContact OE1-CB 3.47Å; E306-R349 WeakPolarHBondContact OE1-CG 3.15Å; E306-R349 IonicContact OE1-CZ 3.54Å; E306-R349 IonicContact OE1-NE 2.81Å; E306-R349 PolarHBondContact OE1-NE 2.65Å; E306-R349 IonicContact OE1-NH2 3.84Å; E306-R349 PolarHBondContact OE1-NH2 3.31Å; E306-R349 IonicContact OE2-CZ 2.76Å; E306-R349 IonicContact OE2-NE 3.9Å; E306-R349 PolarHBondContact OE2-NE 3.02Å; E306-R349 IonicContact OE2-NH2 2.78Å; E306-R349 PolarHBondContact OE2-NH2 3.03Å; E306-T350 PolarHBondContact N-OG1 3.31Å; E306-T351 HydrophobicContact CB-CG2 3.68Å; E306-T351 WeakPolarHBondContact OE2-CB 3.47Å; E306-T351 WeakPolarHBondContact OE2-CG2 3.29Å; E306-T351 PolarHBondContact OE2-OG1 3Å; E306-W469 PolarHBondContact O-NE1 3.41Å | ||
| 307 | Y | 91.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | trans | -101.1 | 169.9 | 178.8 | -63.9 | -58.6 | 0 | 0 | 0 | 113.1 | D305 V311 T350 T351 R356 W469 I471 D486 | D305-Y307 PolarHBondContact OD1-N 3.05Å; Y307-V311 WeakPolarHBondContact O-CG2 3.42Å; Y307-T350 WeakPolarHBondContact CE2-O 2.95Å; Y307-T350 PolarHBondContact OH-O 3.21Å; Y307-T350 VanDerWaalsContact OH-O 3.05Å; Y307-T351 HydrophobicContact CE1-CG2 4.12Å; Y307-T351 WeakPolarHBondContact OH-CA 3.41Å; Y307-R356 PolarHBondContact OH-NE 3.5Å; Y307-R356 PolarHBondContact OH-NH2 3.42Å; Y307-W469 HydrophobicContact CD1-CD2 4.47Å; Y307-W469 HydrophobicContact CD1-CG 4.45Å; Y307-W469 AromaticContact CD1-NE1 3.77Å; Y307-I471 HydrophobicContact CD2-CG1 4.13Å; Y307-I471 HydrophobicContact CE1-CG1 4.5Å; Y307-I471 HydrophobicContact CE2-CD1 3.82Å; Y307-I471 HydrophobicContact CE2-CG1 3.44Å; Y307-I471 VanDerWaalsContact CE2-CG1 3.44Å; Y307-D486 VanDerWaalsContact CD2-OD2 3.27Å; Y307-D486 WeakPolarHBondContact CD2-OD2 3.47Å | ||
| 308 | G | 89.5 | Confident | 90.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 112.1 | 159.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K310 V311 A312 E386 W469 | G308-K310 PolarHBondContact O-N 3.23Å; G308-V311 PolarHBondContact O-N 2.97Å; G308-A312 PolarHBondContact O-N 3.44Å; G308-E386 WeakPolarHBondContact CA-OE1 3.48Å; G308-W469 PolarHBondContact N-O 3.21Å |
| 309 | S | 88 | Confident | 91.3 | Very high | 25 Ų | 25 | 29.5 Ų | 29.5 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.7 | -27.2 | -176.7 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | K313 E386 R466 | S309-K313 VanDerWaalsContact O-CB 3.3Å; S309-K313 WeakPolarHBondContact O-CB 3.47Å; S309-K313 PolarHBondContact O-N 3.09Å; S309-E386 PolarHBondContact N-OE1 2.9Å; S309-R466 PolarHBondContact OG-O 2.81Å; S309-R466 VanDerWaalsContact OG-O 3.09Å |
| 310 | K | 86.5 | Confident | 91.8 | Very high | 43 Ų | 43 | 31.8 Ų | 31.8 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | 176.2 | -68.3 | 172.5 | 178.5 | 168 | 0 | 112.4 | E265 G308 K313 A314 T383 S384 E386 | E265-K310 WeakPolarHBondContact OE1-CD 3.48Å; E265-K310 WeakPolarHBondContact OE1-CE 3.26Å; E265-K310 IonicContact OE1-NZ 3.87Å; E265-K310 PolarHBondContact OE1-NZ 3.42Å; E265-K310 IonicContact OE2-NZ 3.35Å; G308-K310 PolarHBondContact O-N 3.23Å; K310-K313 PolarHBondContact O-N 2.96Å; K310-A314 VanDerWaalsContact O-CB 3.31Å; K310-A314 WeakPolarHBondContact O-CB 3.32Å; K310-A314 PolarHBondContact O-N 3.18Å; K310-T383 WeakPolarHBondContact CE-O 3.4Å; K310-S384 VanDerWaalsContact CE-CA 3.41Å; K310-S384 WeakPolarHBondContact CE-O 3.29Å; K310-S384 PolarHBondContact NZ-O 2.95Å; K310-E386 HydrophobicContact CD-CG 4.17Å; K310-E386 HydrophobicContact CG-CG 4.39Å; K310-E386 PolarHBondContact N-OE1 3.07Å |
| 311 | V | 90.5 | Very high | 92 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -47.3 | 179.9 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | Y307 G308 K313 A314 A315 V322 Y325 C326 | Y307-V311 WeakPolarHBondContact O-CG2 3.42Å; G308-V311 PolarHBondContact O-N 2.97Å; V311-K313 VanDerWaalsContact C-N 3.33Å; V311-K313 PolarHBondContact O-N 2.87Å; V311-A314 PolarHBondContact O-N 3.22Å; V311-A314 VanDerWaalsContact O-N 3.17Å; V311-A315 WeakPolarHBondContact O-CB 3.32Å; V311-A315 PolarHBondContact O-N 3.43Å; V311-V322 HydrophobicContact CG1-CG1 3.98Å; V311-Y325 HydrophobicContact CG1-CD1 4.31Å; V311-C326 WeakPolarHBondContact CG1-SG 3.24Å |
| 312 | A | 91 | Very high | 92.2 | Very high | 23 Ų | 23 | 36 Ų | 36 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G308 A316 V322 W469 | G308-A312 PolarHBondContact O-N 3.44Å; A312-A316 WeakPolarHBondContact O-CB 3.49Å; A312-A316 PolarHBondContact O-N 3.15Å; A312-V322 HydrophobicContact CB-CG2 4.34Å; A312-W469 HydrophobicContact CB-CB 4.03Å |
| 313 | K | 90.6 | Very high | 92.2 | Very high | 142 Ų | 142 | 41.8 Ų | 41.8 | 62% | 0.617 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.6 | -39.4 | 176.5 | -174.5 | 175.7 | -177.9 | 176.6 | 0 | 112.4 | S309 K310 V311 A316 N317 | S309-K313 VanDerWaalsContact O-CB 3.3Å; S309-K313 WeakPolarHBondContact O-CB 3.47Å; S309-K313 PolarHBondContact O-N 3.09Å; K310-K313 PolarHBondContact O-N 2.96Å; V311-K313 VanDerWaalsContact C-N 3.33Å; V311-K313 PolarHBondContact O-N 2.87Å; K313-A316 PolarHBondContact O-N 3.43Å; K313-N317 WeakPolarHBondContact O-CB 3.43Å; K313-N317 PolarHBondContact O-N 3.46Å; K313-N317 PolarHBondContact O-ND2 3.38Å |
| 314 | A | 90.2 | Very high | 92.4 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K310 V311 N317 A318 Y325 | K310-A314 VanDerWaalsContact O-CB 3.31Å; K310-A314 WeakPolarHBondContact O-CB 3.32Å; K310-A314 PolarHBondContact O-N 3.18Å; V311-A314 PolarHBondContact O-N 3.22Å; V311-A314 VanDerWaalsContact O-N 3.17Å; A314-N317 PolarHBondContact O-N 2.99Å; A314-A318 WeakPolarHBondContact O-CB 3.37Å; A314-A318 PolarHBondContact O-N 2.89Å; A314-Y325 HydrophobicContact CB-CE1 3.78Å; A314-Y325 HydrophobicContact CB-CE2 4.43Å |
| 315 | A | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V311 N317 A318 G319 Q320 V322 Y325 | V311-A315 WeakPolarHBondContact O-CB 3.32Å; V311-A315 PolarHBondContact O-N 3.43Å; A315-N317 VanDerWaalsContact C-N 3.34Å; A315-N317 PolarHBondContact O-N 3.34Å; A315-A318 CarbonylContact O-C 3.14Å; A315-A318 PolarHBondContact O-N 3.23Å; A315-A318 VanDerWaalsContact O-N 3.08Å; A315-G319 PolarHBondContact O-N 3.09Å; A315-Q320 PolarHBondContact O-N 3.33Å; A315-Q320 VanDerWaalsContact O-N 3.09Å; A315-V322 HydrophobicContact CB-CB 4.29Å; A315-V322 HydrophobicContact CB-CG1 4.31Å; A315-V322 HydrophobicContact CB-CG2 4.15Å; A315-Y325 HydrophobicContact CB-CD1 4.06Å; A315-Y325 HydrophobicContact CB-CD2 4.35Å; A315-Y325 HydrophobicContact CB-CG 3.72Å |
| 316 | A | 93.7 | Very high | 92.6 | Very high | 72 Ų | 72 | 46.7 Ų | 46.7 | 60% | 0.595 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.1 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A312 K313 A318 G319 | A312-A316 WeakPolarHBondContact O-CB 3.49Å; A312-A316 PolarHBondContact O-N 3.15Å; K313-A316 PolarHBondContact O-N 3.43Å; A316-A318 VanDerWaalsContact C-N 3.28Å; A316-A318 PolarHBondContact O-N 2.96Å; A316-G319 PolarHBondContact O-N 2.86Å; A316-G319 VanDerWaalsContact O-N 3.12Å |
| 317 | N | 92.5 | Very high | 92.6 | Very high | 131 Ų | 131 | 49.6 Ų | 49.6 | 70% | 0.701 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.2 | -28.1 | 175.6 | -69.9 | -22.8 | 0 | 0 | 0 | 113.1 | K313 A314 A315 G319 | K313-N317 WeakPolarHBondContact O-CB 3.43Å; K313-N317 PolarHBondContact O-N 3.46Å; K313-N317 PolarHBondContact O-ND2 3.38Å; A314-N317 PolarHBondContact O-N 2.99Å; A315-N317 VanDerWaalsContact C-N 3.34Å; A315-N317 PolarHBondContact O-N 3.34Å; N317-G319 VanDerWaalsContact C-N 3.29Å |
| 318 | A | 92.3 | Very high | 92.8 | Very high | 51 Ų | 51 | 52.9 Ų | 52.9 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -81.5 | -7.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | A314 A315 A316 Q320 Y325 | A314-A318 WeakPolarHBondContact O-CB 3.37Å; A314-A318 PolarHBondContact O-N 2.89Å; A315-A318 CarbonylContact O-C 3.14Å; A315-A318 PolarHBondContact O-N 3.23Å; A315-A318 VanDerWaalsContact O-N 3.08Å; A316-A318 VanDerWaalsContact C-N 3.28Å; A316-A318 PolarHBondContact O-N 2.96Å; A318-Q320 VanDerWaalsContact C-N 3.31Å; A318-Q320 HydrophobicContact CB-CG 4.34Å; A318-Y325 HydrophobicContact CB-CD2 3.87Å; A318-Y325 HydrophobicContact CB-CE2 3.96Å |
| 319 | G | 95.4 | Very high | 93 | Very high | 72 Ų | 72 | 53.1 Ų | 53.1 | 74% | 0.742 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 26 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A315 A316 N317 | A315-G319 PolarHBondContact O-N 3.09Å; A316-G319 PolarHBondContact O-N 2.86Å; A316-G319 VanDerWaalsContact O-N 3.12Å; N317-G319 VanDerWaalsContact C-N 3.29Å |
| 320 | Q | 94.6 | Very high | 93.2 | Very high | 69 Ų | 69 | 52 Ų | 52 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -116.3 | 161.2 | -177 | -64.4 | 179 | 5 | 0 | 0 | 111.5 | A315 A318 Y325 E328 | A315-Q320 PolarHBondContact O-N 3.33Å; A315-Q320 VanDerWaalsContact O-N 3.09Å; A318-Q320 VanDerWaalsContact C-N 3.31Å; A318-Q320 HydrophobicContact CB-CG 4.34Å; Q320-Y325 VanDerWaalsContact OE1-CA 3.27Å; Q320-E328 PolarHBondContact NE2-OE2 3.38Å; Q320-E328 PolarHBondContact OE1-OE2 3.1Å |
| 321 | S | 96 | Very high | 93.7 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | trans | -64.3 | 154.4 | 164.2 | 84 | 0 | 0 | 0 | 0 | 109.8 | E323 D324 Y325 | S321-E323 VanDerWaalsContact C-N 3.27Å; S321-E323 PolarHBondContact O-N 3.38Å; S321-D324 WeakPolarHBondContact CB-OD2 3.18Å; S321-D324 PolarHBondContact O-N 2.86Å; S321-D324 WeakPolarHBondContact OG-CB 3.35Å; S321-D324 PolarHBondContact OG-N 3Å; S321-D324 VanDerWaalsContact OG-N 3.08Å; S321-D324 PolarHBondContact OG-OD2 2.88Å; S321-Y325 WeakPolarHBondContact O-CB 3.32Å; S321-Y325 PolarHBondContact O-N 3.1Å | ||
| 322 | V | 94.4 | Very high | 93.9 | Very high | 32 Ų | 32 | 58.9 Ų | 58.9 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.9 | -36.8 | -179 | -165.4 | 0 | 0 | 0 | 0 | 111.2 | V311 A312 A315 Y325 C326 W469 | V311-V322 HydrophobicContact CG1-CG1 3.98Å; A312-V322 HydrophobicContact CB-CG2 4.34Å; A315-V322 HydrophobicContact CB-CB 4.29Å; A315-V322 HydrophobicContact CB-CG1 4.31Å; A315-V322 HydrophobicContact CB-CG2 4.15Å; V322-Y325 PolarHBondContact O-N 3.38Å; V322-C326 WeakPolarHBondContact O-CB 3.33Å; V322-C326 PolarHBondContact O-N 3.09Å; V322-C326 PolarHBondContact O-SG 3.25Å; V322-W469 HydrophobicContact CB-CD2 3.94Å; V322-W469 HydrophobicContact CB-CE3 4.1Å; V322-W469 HydrophobicContact CB-CG 4.45Å; V322-W469 HydrophobicContact CB-CH2 4.3Å; V322-W469 HydrophobicContact CB-CZ2 4.15Å; V322-W469 HydrophobicContact CB-CZ3 4.27Å; V322-W469 HydrophobicContact CG1-CD2 3.52Å; V322-W469 HydrophobicContact CG1-CE3 4.21Å; V322-W469 HydrophobicContact CG1-CG 3.7Å; V322-W469 HydrophobicContact CG1-CH2 4.46Å; V322-W469 HydrophobicContact CG1-CZ2 3.84Å; V322-W469 VanDerWaalsContact CG1-NE1 3.34Å; V322-W469 HydrophobicContact CG2-CD2 4.46Å |
| 323 | E | 94 | Very high | 94 | Very high | 123 Ų | 123 | 57.8 Ų | 57.8 | 58% | 0.575 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.2 | -46.4 | 176.8 | -174.1 | 174 | -178.3 | 0 | 0 | 112.2 | S321 Y325 C326 N327 W469 | S321-E323 VanDerWaalsContact C-N 3.27Å; S321-E323 PolarHBondContact O-N 3.38Å; E323-Y325 VanDerWaalsContact C-N 3.33Å; E323-Y325 PolarHBondContact O-N 2.9Å; E323-C326 PolarHBondContact O-N 3.43Å; E323-N327 WeakPolarHBondContact O-CB 3.1Å; E323-N327 PolarHBondContact O-N 2.96Å; E323-N327 PolarHBondContact O-ND2 3.12Å; E323-W469 HydrophobicContact CB-CH2 4.44Å |
| 324 | D | 95.9 | Very high | 94.2 | Very high | 94 Ų | 94 | 54.5 Ų | 54.5 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.8 | -65.4 | -40.3 | 0 | 0 | 0 | 111.5 | S321 N327 E328 | S321-D324 WeakPolarHBondContact CB-OD2 3.18Å; S321-D324 PolarHBondContact O-N 2.86Å; S321-D324 WeakPolarHBondContact OG-CB 3.35Å; S321-D324 PolarHBondContact OG-N 3Å; S321-D324 VanDerWaalsContact OG-N 3.08Å; S321-D324 PolarHBondContact OG-OD2 2.88Å; D324-N327 WeakPolarHBondContact O-CB 3.34Å; D324-N327 PolarHBondContact O-N 3.39Å; D324-E328 PolarHBondContact O-N 3.46Å |
| 325 | Y | 95 | Very high | 94.4 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.6 | -176.7 | -94.9 | 0 | 0 | 0 | 111.6 | G267 V311 A314 A315 A318 Q320 S321 V322 E323 N327 E328 I329 | G267-Y325 PolarHBondContact O-OH 3.46Å; V311-Y325 HydrophobicContact CG1-CD1 4.31Å; A314-Y325 HydrophobicContact CB-CE1 3.78Å; A314-Y325 HydrophobicContact CB-CE2 4.43Å; A315-Y325 HydrophobicContact CB-CD1 4.06Å; A315-Y325 HydrophobicContact CB-CD2 4.35Å; A315-Y325 HydrophobicContact CB-CG 3.72Å; A318-Y325 HydrophobicContact CB-CD2 3.87Å; A318-Y325 HydrophobicContact CB-CE2 3.96Å; Q320-Y325 VanDerWaalsContact OE1-CA 3.27Å; S321-Y325 WeakPolarHBondContact O-CB 3.32Å; S321-Y325 PolarHBondContact O-N 3.1Å; V322-Y325 PolarHBondContact O-N 3.38Å; E323-Y325 VanDerWaalsContact C-N 3.33Å; E323-Y325 PolarHBondContact O-N 2.9Å; Y325-N327 PolarHBondContact O-N 2.82Å; Y325-E328 PolarHBondContact O-N 3.31Å; Y325-I329 HydrophobicContact CD1-CG1 4.22Å; Y325-I329 HydrophobicContact CE1-CG1 3.76Å; Y325-I329 HydrophobicContact CE2-CD1 4.36Å; Y325-I329 HydrophobicContact CE2-CG1 4.19Å; Y325-I329 WeakPolarHBondContact O-CG1 3.42Å; Y325-I329 PolarHBondContact O-N 2.94Å |
| 326 | C | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 175.4 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | V266 E306 V311 V322 E323 E328 I329 S330 | V266-C326 HydrophobicContact CG1-CB 4.28Å; E306-C326 HydrophobicContact CB-CB 4.34Å; E306-C326 HydrophobicContact CG-CB 4.01Å; V311-C326 WeakPolarHBondContact CG1-SG 3.24Å; V322-C326 WeakPolarHBondContact O-CB 3.33Å; V322-C326 PolarHBondContact O-N 3.09Å; V322-C326 PolarHBondContact O-SG 3.25Å; E323-C326 PolarHBondContact O-N 3.43Å; C326-E328 PolarHBondContact O-N 3.08Å; C326-I329 PolarHBondContact O-N 3.38Å; C326-S330 WeakPolarHBondContact O-CB 3.43Å; C326-S330 PolarHBondContact O-N 2.9Å |
| 327 | N | 95.3 | Very high | 94.6 | Very high | 60 Ų | 60 | 53.2 Ų | 53.2 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 175.3 | -71.4 | -28.2 | 0 | 0 | 0 | 111.2 | E323 D324 Y325 Q331 R349 | E323-N327 WeakPolarHBondContact O-CB 3.1Å; E323-N327 PolarHBondContact O-N 2.96Å; E323-N327 PolarHBondContact O-ND2 3.12Å; D324-N327 WeakPolarHBondContact O-CB 3.34Å; D324-N327 PolarHBondContact O-N 3.39Å; Y325-N327 PolarHBondContact O-N 2.82Å; N327-Q331 WeakPolarHBondContact O-CB 3.39Å; N327-Q331 PolarHBondContact O-N 3Å; N327-R349 PolarHBondContact OD1-NH1 3.37Å; N327-R349 PolarHBondContact OD1-NH2 3.43Å |
| 328 | E | 94.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -50.6 | 179.5 | -171.1 | -164.2 | 133.2 | 0 | 0 | 111.9 | Q320 D324 Y325 C326 Q331 K332 | Q320-E328 PolarHBondContact NE2-OE2 3.38Å; Q320-E328 PolarHBondContact OE1-OE2 3.1Å; D324-E328 PolarHBondContact O-N 3.46Å; Y325-E328 PolarHBondContact O-N 3.31Å; C326-E328 PolarHBondContact O-N 3.08Å; E328-Q331 PolarHBondContact O-N 3.16Å; E328-K332 PolarHBondContact O-N 3.23Å; E328-K332 VanDerWaalsContact O-N 3.12Å; E328-K332 WeakPolarHBondContact OE1-CE 3.46Å; E328-K332 IonicContact OE1-NZ 3.8Å; E328-K332 PolarHBondContact OE1-NZ 3.42Å |
| 329 | I | 93.4 | Very high | 95 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.9 | -40.5 | -177.1 | -62 | -58.3 | 0 | 0 | 0 | 111.3 | V266 Y325 C326 Q331 K332 Y333 | V266-I329 HydrophobicContact CB-CG2 4.16Å; V266-I329 HydrophobicContact CG1-CB 3.67Å; V266-I329 HydrophobicContact CG1-CG1 4.3Å; V266-I329 HydrophobicContact CG1-CG2 3.71Å; V266-I329 HydrophobicContact CG2-CG2 4.35Å; V266-I329 WeakPolarHBondContact O-CG2 3.25Å; Y325-I329 HydrophobicContact CD1-CG1 4.22Å; Y325-I329 HydrophobicContact CE1-CG1 3.76Å; Y325-I329 HydrophobicContact CE2-CD1 4.36Å; Y325-I329 HydrophobicContact CE2-CG1 4.19Å; Y325-I329 WeakPolarHBondContact O-CG1 3.42Å; Y325-I329 PolarHBondContact O-N 2.94Å; C326-I329 PolarHBondContact O-N 3.38Å; I329-Q331 PolarHBondContact O-N 3.4Å; I329-K332 HydrophobicContact CD1-CD 4.03Å; I329-K332 WeakPolarHBondContact O-CB 3.37Å; I329-K332 PolarHBondContact O-N 3.27Å; I329-Y333 HydrophobicContact CG2-CD2 3.96Å; I329-Y333 HydrophobicContact CG2-CE2 3.75Å; I329-Y333 WeakPolarHBondContact O-CD2 3.45Å; I329-Y333 PolarHBondContact O-N 2.78Å; I329-Y333 VanDerWaalsContact O-N 3.14Å |
| 330 | S | 94.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.2 | -39.6 | 174.4 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | T304 C326 K332 Y333 K334 F347 R349 | T304-S330 PolarHBondContact OG1-OG 3.14Å; C326-S330 WeakPolarHBondContact O-CB 3.43Å; C326-S330 PolarHBondContact O-N 2.9Å; S330-K332 VanDerWaalsContact C-N 3.34Å; S330-K332 PolarHBondContact O-N 2.82Å; S330-Y333 PolarHBondContact O-N 3.1Å; S330-K334 PolarHBondContact O-N 3.48Å; S330-F347 WeakPolarHBondContact OG-CE1 3.44Å; S330-R349 WeakPolarHBondContact OG-CD 3.5Å; S330-R349 PolarHBondContact OG-NE 2.89Å |
| 331 | Q | 95 | Very high | 95.2 | Very high | 111 Ų | 111 | 50 Ų | 50 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 174.4 | -170.7 | 58.6 | 29.2 | 0 | 0 | 112.9 | N327 E328 I329 K334 C335 | N327-Q331 WeakPolarHBondContact O-CB 3.39Å; N327-Q331 PolarHBondContact O-N 3Å; E328-Q331 PolarHBondContact O-N 3.16Å; I329-Q331 PolarHBondContact O-N 3.4Å; Q331-K334 PolarHBondContact O-N 3.24Å; Q331-C335 WeakPolarHBondContact O-CB 3.13Å; Q331-C335 PolarHBondContact O-N 2.93Å |
| 332 | K | 95 | Very high | 95.2 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 34% | 0.335 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 173.4 | -71.2 | 172.3 | 176.4 | 162 | 0 | 112.2 | P270 E328 I329 S330 C335 M336 | P270-K332 HydrophobicContact CG-CB 4.23Å; E328-K332 PolarHBondContact O-N 3.23Å; E328-K332 VanDerWaalsContact O-N 3.12Å; E328-K332 WeakPolarHBondContact OE1-CE 3.46Å; E328-K332 IonicContact OE1-NZ 3.8Å; E328-K332 PolarHBondContact OE1-NZ 3.42Å; I329-K332 HydrophobicContact CD1-CD 4.03Å; I329-K332 WeakPolarHBondContact O-CB 3.37Å; I329-K332 PolarHBondContact O-N 3.27Å; S330-K332 VanDerWaalsContact C-N 3.34Å; S330-K332 PolarHBondContact O-N 2.82Å; K332-C335 PolarHBondContact O-N 3.43Å; K332-M336 PolarHBondContact O-N 2.8Å |
| 333 | Y | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 174.6 | -80.8 | -78.5 | 0 | 0 | 0 | 112.4 | M264 E265 L268 P270 H274 T304 I329 S330 M336 H337 | M264-Y333 HydrophobicContact CB-CD1 3.69Å; M264-Y333 HydrophobicContact CB-CD2 4.37Å; M264-Y333 HydrophobicContact CB-CE1 3.27Å; M264-Y333 HydrophobicContact CB-CE2 4.03Å; M264-Y333 HydrophobicContact CB-CG 4.22Å; M264-Y333 VanDerWaalsContact CB-CZ 3.46Å; M264-Y333 HydrophobicContact CE-CE1 4.35Å; M264-Y333 HydrophobicContact CG-CD1 3.55Å; M264-Y333 HydrophobicContact CG-CE1 3.36Å; M264-Y333 HydrophobicContact CG-CG 4.41Å; M264-Y333 HydrophobicContact SD-CD1 4.49Å; M264-Y333 HydrophobicContact SD-CE1 3.9Å; E265-Y333 PolarHBondContact O-OH 3.31Å; L268-Y333 PolarHBondContact O-OH 2.88Å; P270-Y333 HydrophobicContact CB-CD1 4Å; P270-Y333 HydrophobicContact CB-CE1 3.74Å; H274-Y333 HydrophobicContact CB-CE1 4.06Å; H274-Y333 PolarHBondContact CE1-OH 2.83Å; H274-Y333 VanDerWaalsContact CE1-OH 3.24Å; H274-Y333 PolarHBondContact ND1-OH 3.45Å; T304-Y333 HydrophobicContact CG2-CD2 3.92Å; T304-Y333 HydrophobicContact CG2-CG 4.31Å; I329-Y333 HydrophobicContact CG2-CD2 3.96Å; I329-Y333 HydrophobicContact CG2-CE2 3.75Å; I329-Y333 WeakPolarHBondContact O-CD2 3.45Å; I329-Y333 PolarHBondContact O-N 2.78Å; I329-Y333 VanDerWaalsContact O-N 3.14Å; S330-Y333 PolarHBondContact O-N 3.1Å; Y333-M336 HydrophobicContact CD1-CE 3.95Å; Y333-M336 HydrophobicContact CE1-CE 4.45Å; Y333-M336 WeakPolarHBondContact O-CB 3.44Å; Y333-M336 PolarHBondContact O-N 3.22Å; Y333-H337 PolarHBondContact O-CD2 2.88Å; Y333-H337 PolarHBondContact O-N 3.43Å |
| 334 | K | 94.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 46.8 Ų | 46.8 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 172.8 | -70 | -179.6 | 179.7 | -179.5 | 0 | 112 | S330 Q331 M336 H337 D338 F347 | S330-K334 PolarHBondContact O-N 3.48Å; Q331-K334 PolarHBondContact O-N 3.24Å; K334-M336 VanDerWaalsContact C-N 3.29Å; K334-M336 PolarHBondContact O-N 3.48Å; K334-H337 WeakPolarHBondContact O-CA 3.4Å; K334-H337 WeakPolarHBondContact O-CB 3.38Å; K334-H337 PolarHBondContact O-N 3.36Å; K334-D338 PolarHBondContact O-N 2.98Å; K334-F347 HydrophobicContact CG-CD1 4.28Å; K334-F347 HydrophobicContact CG-CD2 4.3Å; K334-F347 HydrophobicContact CG-CE1 4.17Å; K334-F347 HydrophobicContact CG-CE2 4.18Å; K334-F347 HydrophobicContact CG-CG 4.35Å; K334-F347 HydrophobicContact CG-CZ 4.1Å |
| 335 | C | 95.4 | Very high | 94.4 | Very high | 58 Ų | 58 | 44.9 Ų | 44.9 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 176.1 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | Q331 K332 K339 I562 | Q331-C335 WeakPolarHBondContact O-CB 3.13Å; Q331-C335 PolarHBondContact O-N 2.93Å; K332-C335 PolarHBondContact O-N 3.43Å; C335-K339 VanDerWaalsContact O-CB 3.3Å; C335-K339 WeakPolarHBondContact O-CB 3.31Å; C335-K339 PolarHBondContact O-N 3.13Å; C335-I562 HydrophobicContact CB-CD1 4.47Å |
| 336 | M | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 171 | -178.9 | -173.9 | 71 | 0 | 0 | 110 | M264 P270 L275 K332 Y333 K334 D338 K339 F340 P561 | M264-M336 HydrophobicContact CE-CE 4.28Å; P270-M336 HydrophobicContact CB-CE 4.24Å; P270-M336 HydrophobicContact CB-SD 3.53Å; P270-M336 VanDerWaalsContact CB-SD 3.53Å; P270-M336 HydrophobicContact CG-SD 4.41Å; L275-M336 HydrophobicContact CB-SD 3.95Å; L275-M336 HydrophobicContact CD1-CG 4.26Å; L275-M336 HydrophobicContact CD1-SD 4.27Å; K332-M336 PolarHBondContact O-N 2.8Å; Y333-M336 HydrophobicContact CD1-CE 3.95Å; Y333-M336 HydrophobicContact CE1-CE 4.45Å; Y333-M336 WeakPolarHBondContact O-CB 3.44Å; Y333-M336 PolarHBondContact O-N 3.22Å; K334-M336 VanDerWaalsContact C-N 3.29Å; K334-M336 PolarHBondContact O-N 3.48Å; M336-D338 VanDerWaalsContact C-N 3.34Å; M336-D338 PolarHBondContact O-N 2.88Å; M336-K339 PolarHBondContact O-N 3.46Å; M336-F340 HydrophobicContact CG-CD2 3.75Å; M336-F340 HydrophobicContact CG-CE2 4.07Å; M336-F340 WeakPolarHBondContact O-CB 3.1Å; M336-F340 WeakPolarHBondContact O-CD2 3.47Å; M336-F340 PolarHBondContact O-N 3.28Å; M336-P561 HydrophobicContact CG-CG 4.11Å; M336-P561 HydrophobicContact SD-CB 4.44Å; M336-P561 HydrophobicContact SD-CG 3.68Å |
| 337 | H | 95.3 | Very high | 94 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.023 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 179.6 | -70.5 | -173.3 | 0 | 0 | 0 | 112.5 | S278 T302 Y333 K334 F340 A341 I342 F347 | S278-H337 PolarHBondContact OG-NE2 2.92Å; S278-H337 VanDerWaalsContact OG-NE2 3.12Å; T302-H337 WeakPolarHBondContact CG2-CE1 3.21Å; Y333-H337 PolarHBondContact O-CD2 2.88Å; Y333-H337 PolarHBondContact O-N 3.43Å; K334-H337 WeakPolarHBondContact O-CA 3.4Å; K334-H337 WeakPolarHBondContact O-CB 3.38Å; K334-H337 PolarHBondContact O-N 3.36Å; H337-F340 CarbonylContact O-C 3.57Å; H337-F340 PolarHBondContact O-N 3.02Å; H337-A341 PolarHBondContact O-N 2.94Å; H337-I342 HydrophobicContact CB-CB 3.92Å; H337-I342 HydrophobicContact CB-CG2 4.23Å; H337-I342 PolarHBondContact O-N 3.18Å; H337-F347 AromaticContact CE1-CE2 3.85Å; H337-F347 AromaticContact ND1-CD2 3.95Å; H337-F347 AromaticContact ND1-CE2 3.92Å |
| 338 | D | 95.8 | Very high | 93.9 | Very high | 125 Ų | 125 | 45.5 Ų | 45.5 | 67% | 0.668 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.4 | -50.2 | 176.6 | -63.2 | -26.1 | 0 | 0 | 0 | 111.6 | K334 M336 F340 A341 | K334-D338 PolarHBondContact O-N 2.98Å; M336-D338 VanDerWaalsContact C-N 3.34Å; M336-D338 PolarHBondContact O-N 2.88Å; D338-F340 PolarHBondContact O-N 3.17Å; D338-A341 PolarHBondContact O-N 3.31Å; D338-A341 VanDerWaalsContact O-N 3.09Å |
| 339 | K | 96.8 | Very high | 94 | Very high | 85 Ų | 85 | 44 Ų | 44 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.6 | -36.3 | 179.7 | 179.9 | 71.4 | 170.8 | -160.1 | 0 | 112 | C335 M336 A565 D566 A570 | C335-K339 VanDerWaalsContact O-CB 3.3Å; C335-K339 WeakPolarHBondContact O-CB 3.31Å; C335-K339 PolarHBondContact O-N 3.13Å; M336-K339 PolarHBondContact O-N 3.46Å; K339-A565 HydrophobicContact CG-CB 4.4Å; K339-D566 IonicContact NZ-OD1 3.92Å; K339-D566 PolarHBondContact NZ-OD1 2.93Å; K339-A570 WeakPolarHBondContact O-CB 3.41Å |
| 340 | F | 97.9 | Very high | 94 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 10.3 | -179.3 | -71.4 | -80.3 | 0 | 0 | 0 | 113.6 | L275 M336 H337 D338 I342 P561 A565 A570 L573 R574 | L275-F340 HydrophobicContact CD1-CB 3.93Å; L275-F340 HydrophobicContact CD1-CD1 3.96Å; L275-F340 HydrophobicContact CD1-CD2 3.67Å; L275-F340 HydrophobicContact CD1-CE1 4.4Å; L275-F340 HydrophobicContact CD1-CE2 4.18Å; L275-F340 HydrophobicContact CD1-CG 3.55Å; L275-F340 HydrophobicContact CD1-CZ 4.49Å; L275-F340 HydrophobicContact CD2-CD1 3.9Å; L275-F340 HydrophobicContact CD2-CD2 4.19Å; L275-F340 HydrophobicContact CD2-CE1 3.53Å; L275-F340 HydrophobicContact CD2-CE2 3.89Å; L275-F340 HydrophobicContact CD2-CG 4.2Å; L275-F340 HydrophobicContact CD2-CZ 3.53Å; M336-F340 HydrophobicContact CG-CD2 3.75Å; M336-F340 HydrophobicContact CG-CE2 4.07Å; M336-F340 WeakPolarHBondContact O-CB 3.1Å; M336-F340 WeakPolarHBondContact O-CD2 3.47Å; M336-F340 PolarHBondContact O-N 3.28Å; H337-F340 CarbonylContact O-C 3.57Å; H337-F340 PolarHBondContact O-N 3.02Å; D338-F340 PolarHBondContact O-N 3.17Å; F340-I342 HydrophobicContact CB-CD1 3.95Å; F340-I342 HydrophobicContact CB-CG1 4.16Å; F340-I342 PolarHBondContact O-N 3.28Å; F340-P561 HydrophobicContact CE2-CB 3.73Å; F340-P561 HydrophobicContact CZ-CB 3.86Å; F340-P561 VanDerWaalsContact CZ-O 3.25Å; F340-P561 WeakPolarHBondContact CZ-O 3.48Å; F340-A565 HydrophobicContact CE1-CB 4.05Å; F340-A565 HydrophobicContact CE2-CB 4.4Å; F340-A565 HydrophobicContact CZ-CB 3.64Å; F340-A570 HydrophobicContact CD1-CB 4Å; F340-A570 HydrophobicContact CE1-CB 4.15Å; F340-L573 HydrophobicContact CE1-CB 4.08Å; F340-L573 HydrophobicContact CE1-CD2 3.85Å; F340-L573 HydrophobicContact CE1-CG 4.15Å; F340-L573 HydrophobicContact CZ-CD2 3.76Å; F340-R574 HydrophobicContact CD1-CG 3.9Å; F340-R574 VanDerWaalsContact O-CD 3.31Å; F340-R574 WeakPolarHBondContact O-CD 3.26Å; F340-R574 PolarHBondContact O-NH1 3.28Å |
| 341 | A | 96.5 | Very high | 94.1 | Very high | 46 Ų | 46 | 45.2 Ų | 45.2 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 42.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R286 H337 D338 | R286-A341 PolarHBondContact NH2-O 3.49Å; H337-A341 PolarHBondContact O-N 2.94Å; D338-A341 PolarHBondContact O-N 3.31Å; D338-A341 VanDerWaalsContact O-N 3.09Å |
| 342 | I | 95.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | trans | -83 | 115 | 173.8 | -69.4 | 162.1 | 0 | 0 | 0 | 107.6 | L275 L279 D282 F300 H337 F340 T344 | L275-I342 HydrophobicContact CD1-CD1 3.82Å; L279-I342 HydrophobicContact CD2-CD1 4.16Å; L279-I342 HydrophobicContact CD2-CG1 4.09Å; D282-I342 HydrophobicContact CB-CG1 4.35Å; D282-I342 HydrophobicContact CB-CG2 4.2Å; F300-I342 HydrophobicContact CE1-CG2 3.95Å; F300-I342 HydrophobicContact CZ-CG2 4.22Å; H337-I342 HydrophobicContact CB-CB 3.92Å; H337-I342 HydrophobicContact CB-CG2 4.23Å; H337-I342 PolarHBondContact O-N 3.18Å; F340-I342 HydrophobicContact CB-CD1 3.95Å; F340-I342 HydrophobicContact CB-CG1 4.16Å; F340-I342 PolarHBondContact O-N 3.28Å; I342-T344 HydrophobicContact CG2-CG2 3.99Å; I342-T344 PolarHBondContact O-N 2.89Å | ||
| 343 | E | 89.9 | Confident | 94.2 | Very high | 93 Ų | 93 | 44.6 Ų | 44.6 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | trans | -103.4 | 78 | -167.7 | -169.6 | -168.6 | 136.4 | 0 | 0 | 111.9 | D282 R286 K289 F300 | D282-E343 PolarHBondContact OD1-N 3.1Å; R286-E343 IonicContact CZ-OE2 2.81Å; R286-E343 IonicContact NH1-OE2 2.65Å; R286-E343 PolarHBondContact NH1-OE2 3.24Å; R286-E343 IonicContact NH2-OE2 3.03Å; R286-E343 PolarHBondContact NH2-OE2 3.34Å; K289-E343 IonicContact NZ-OE1 2.77Å; K289-E343 PolarHBondContact NZ-OE1 2.61Å; F300-E343 VanDerWaalsContact CD1-O 3.29Å; F300-E343 WeakPolarHBondContact CD1-O 3.23Å | ||
| 344 | T | 90.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 24% | 0.239 | 25% | 0.246 | C | C | . | . | trans | -78.4 | 135.8 | 179.6 | 56 | 0 | 0 | 0 | 0 | 111.9 | F300 T302 I342 | F300-T344 HydrophobicContact CD1-CG2 4Å; F300-T344 HydrophobicContact CE1-CG2 3.61Å; F300-T344 HydrophobicContact CZ-CG2 4.04Å; F300-T344 CarbonylContact O-C 3.6Å; T302-T344 HydrophobicContact CG2-CG2 3.4Å; I342-T344 HydrophobicContact CG2-CG2 3.99Å; I342-T344 PolarHBondContact O-N 2.89Å | ||
| 345 | S | 88 | Confident | 94.5 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -67.5 | -35.9 | 169.2 | -50.2 | 0 | 0 | 0 | 0 | 112.3 | F300 | F300-S345 PolarHBondContact N-OG 3.18Å; F300-S345 WeakPolarHBondContact O-CA 3.2Å; F300-S345 WeakPolarHBondContact O-CB 3.22Å; F300-S345 PolarHBondContact O-N 3.05Å |
| 346 | Q | 88.3 | Confident | 94.6 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 31% | 0.308 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 147.3 | 174.7 | -66.9 | -168.7 | 17.5 | 0 | 0 | 111 | F300 T301 T302 | F300-Q346 PolarHBondContact O-N 3.3Å; T301-Q346 WeakPolarHBondContact CA-O 3.42Å; T301-Q346 PolarHBondContact OG1-O 3.11Å; T302-Q346 PolarHBondContact N-O 2.75Å |
| 347 | F | 92.6 | Very high | 94.7 | Very high | 31 Ų | 31 | 52.1 Ų | 52.1 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 102.3 | 169.8 | -169.7 | -76.7 | 0 | 0 | 0 | 108 | T302 T304 S330 K334 H337 R349 | T302-F347 HydrophobicContact CG2-CD2 3.85Å; T302-F347 HydrophobicContact CG2-CE2 4.24Å; T302-F347 CarbonylContact O-C 3.3Å; T302-F347 VanDerWaalsContact O-CA 3.29Å; T302-F347 WeakPolarHBondContact O-CA 3.48Å; T304-F347 HydrophobicContact CG2-CE1 4.16Å; T304-F347 HydrophobicContact CG2-CZ 3.91Å; S330-F347 WeakPolarHBondContact OG-CE1 3.44Å; K334-F347 HydrophobicContact CG-CD1 4.28Å; K334-F347 HydrophobicContact CG-CD2 4.3Å; K334-F347 HydrophobicContact CG-CE1 4.17Å; K334-F347 HydrophobicContact CG-CE2 4.18Å; K334-F347 HydrophobicContact CG-CG 4.35Å; K334-F347 HydrophobicContact CG-CZ 4.1Å; H337-F347 AromaticContact CE1-CE2 3.85Å; H337-F347 AromaticContact ND1-CD2 3.95Å; H337-F347 AromaticContact ND1-CE2 3.92Å; F347-R349 HydrophobicContact CD1-CG 4.46Å; F347-R349 HydrophobicContact CE1-CG 4.37Å |
| 348 | I | 93.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 140.8 | -176.6 | -173.9 | 166.2 | 0 | 0 | 0 | 111.5 | L263 T302 G303 T304 H355 N490 T493 V494 | L263-I348 HydrophobicContact CD2-CG2 3.59Å; T302-I348 PolarHBondContact O-N 2.97Å; G303-I348 CarbonylContact C-O 3.56Å; G303-I348 WeakPolarHBondContact CA-O 3.39Å; T304-I348 PolarHBondContact N-O 3.43Å; I348-H355 HydrophobicContact CD1-CB 4.38Å; I348-N490 HydrophobicContact CD1-CB 4.27Å; I348-N490 HydrophobicContact CG2-CB 4.25Å; I348-T493 HydrophobicContact CD1-CG2 3.6Å; I348-V494 HydrophobicContact CB-CG1 3.88Å; I348-V494 HydrophobicContact CD1-CG1 3.74Å; I348-V494 HydrophobicContact CG1-CG1 4.4Å; I348-V494 HydrophobicContact CG2-CG1 3.91Å |
| 349 | R | 95.3 | Very high | 95 | Very high | 43 Ų | 43 | 46 Ų | 46 | 16% | 0.162 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.4 | 168.5 | -53.3 | 175.8 | 56.9 | -164.9 | -5.8 | 108.9 | T304 E306 N327 S330 F347 T351 E352 | T304-R349 WeakPolarHBondContact OG1-CG 3.15Å; E306-R349 WeakPolarHBondContact OE1-CB 3.47Å; E306-R349 WeakPolarHBondContact OE1-CG 3.15Å; E306-R349 IonicContact OE1-CZ 3.54Å; E306-R349 IonicContact OE1-NE 2.81Å; E306-R349 PolarHBondContact OE1-NE 2.65Å; E306-R349 IonicContact OE1-NH2 3.84Å; E306-R349 PolarHBondContact OE1-NH2 3.31Å; E306-R349 IonicContact OE2-CZ 2.76Å; E306-R349 IonicContact OE2-NE 3.9Å; E306-R349 PolarHBondContact OE2-NE 3.02Å; E306-R349 IonicContact OE2-NH2 2.78Å; E306-R349 PolarHBondContact OE2-NH2 3.03Å; N327-R349 PolarHBondContact OD1-NH1 3.37Å; N327-R349 PolarHBondContact OD1-NH2 3.43Å; S330-R349 WeakPolarHBondContact OG-CD 3.5Å; S330-R349 PolarHBondContact OG-NE 2.89Å; F347-R349 HydrophobicContact CD1-CG 4.46Å; F347-R349 HydrophobicContact CE1-CG 4.37Å; R349-T351 PolarHBondContact O-N 2.83Å; R349-T351 VanDerWaalsContact O-N 3.1Å; R349-E352 HydrophobicContact CB-CG 4.13Å; R349-E352 PolarHBondContact N-OE1 2.79Å; R349-E352 WeakPolarHBondContact O-CB 3.24Å; R349-E352 WeakPolarHBondContact O-CG 3.39Å; R349-E352 PolarHBondContact O-N 3.21Å |
| 350 | T | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13 | -179.6 | 57.4 | 0 | 0 | 0 | 0 | 113 | L263 T304 D305 E306 Y307 E352 H355 | L263-T350 HydrophobicContact CD1-CG2 3.59Å; T304-T350 PolarHBondContact O-N 3.39Å; T304-T350 VanDerWaalsContact O-N 3.11Å; D305-T350 HydrophobicContact CB-CG2 4.49Å; D305-T350 PolarHBondContact OD1-OG1 2.87Å; E306-T350 PolarHBondContact N-OG1 3.31Å; Y307-T350 WeakPolarHBondContact CE2-O 2.95Å; Y307-T350 PolarHBondContact OH-O 3.21Å; Y307-T350 VanDerWaalsContact OH-O 3.05Å; T350-E352 VanDerWaalsContact C-N 3.32Å; T350-E352 PolarHBondContact O-N 3.14Å; T350-H355 VanDerWaalsContact CA-CD2 3.41Å; T350-H355 WeakPolarHBondContact CA-CD2 3.48Å; T350-H355 PolarHBondContact O-CD2 3.44Å; T350-H355 VanDerWaalsContact O-CD2 3.27Å |
| 351 | T | 95 | Very high | 95.1 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -13.9 | 170.7 | 50.4 | 0 | 0 | 0 | 0 | 114.7 | E306 Y307 R349 R356 W469 | E306-T351 HydrophobicContact CB-CG2 3.68Å; E306-T351 WeakPolarHBondContact OE2-CB 3.47Å; E306-T351 WeakPolarHBondContact OE2-CG2 3.29Å; E306-T351 PolarHBondContact OE2-OG1 3Å; Y307-T351 HydrophobicContact CE1-CG2 4.12Å; Y307-T351 WeakPolarHBondContact OH-CA 3.41Å; R349-T351 PolarHBondContact O-N 2.83Å; R349-T351 VanDerWaalsContact O-N 3.1Å; T351-R356 PolarHBondContact O-NE 3.34Å; T351-W469 HydrophobicContact CG2-CZ2 4.13Å |
| 352 | E | 96 | Very high | 95.2 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -64.7 | 140 | -179.6 | -72.1 | 172.3 | -141.4 | 0 | 0 | 112.8 | R349 T350 R354 H355 R356 | R349-E352 HydrophobicContact CB-CG 4.13Å; R349-E352 PolarHBondContact N-OE1 2.79Å; R349-E352 WeakPolarHBondContact O-CB 3.24Å; R349-E352 WeakPolarHBondContact O-CG 3.39Å; R349-E352 PolarHBondContact O-N 3.21Å; T350-E352 VanDerWaalsContact C-N 3.32Å; T350-E352 PolarHBondContact O-N 3.14Å; E352-R354 VanDerWaalsContact C-N 3.3Å; E352-R354 HydrophobicContact CB-CG 4.21Å; E352-R354 PolarHBondContact O-N 2.8Å; E352-R354 IonicContact OE1-NH2 3.73Å; E352-R354 IonicContact OE2-CZ 3.09Å; E352-R354 VanDerWaalsContact OE2-CZ 3.23Å; E352-R354 IonicContact OE2-NE 3.05Å; E352-R354 PolarHBondContact OE2-NE 2.78Å; E352-R354 IonicContact OE2-NH2 2.76Å; E352-R354 PolarHBondContact OE2-NH2 2.75Å; E352-H355 WeakPolarHBondContact O-CB 3.41Å; E352-H355 PolarHBondContact O-N 2.95Å; E352-R356 PolarHBondContact O-N 3.26Å; E352-R356 VanDerWaalsContact O-N 3.12Å |
| 353 | E | 97.5 | Very high | 95.3 | Very high | 120 Ų | 120 | 47.2 Ų | 47.2 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.3 | -38.5 | -178.5 | -175.8 | 54.3 | -149.1 | 0 | 0 | 112.9 | H355 R356 R357 | E353-H355 PolarHBondContact O-N 2.76Å; E353-R356 PolarHBondContact O-N 3.19Å; E353-R357 WeakPolarHBondContact O-CG 3.34Å; E353-R357 PolarHBondContact O-N 2.9Å |
| 354 | R | 96.6 | Very high | 95.7 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.3 | -34.7 | 175.9 | 64.6 | 171.1 | 179.1 | 130.8 | 0.8 | 112.5 | E352 A358 T493 | E352-R354 VanDerWaalsContact C-N 3.3Å; E352-R354 HydrophobicContact CB-CG 4.21Å; E352-R354 PolarHBondContact O-N 2.8Å; E352-R354 IonicContact OE1-NH2 3.73Å; E352-R354 IonicContact OE2-CZ 3.09Å; E352-R354 VanDerWaalsContact OE2-CZ 3.23Å; E352-R354 IonicContact OE2-NE 3.05Å; E352-R354 PolarHBondContact OE2-NE 2.78Å; E352-R354 IonicContact OE2-NH2 2.76Å; E352-R354 PolarHBondContact OE2-NH2 2.75Å; R354-A358 PolarHBondContact O-N 2.95Å; R354-A358 VanDerWaalsContact O-N 3.15Å; R354-T493 HydrophobicContact CB-CG2 4.49Å; R354-T493 HydrophobicContact CG-CG2 4Å |
| 355 | H | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.8 | -43.7 | 177.6 | -175 | 56.9 | 0 | 0 | 0 | 110.9 | I348 T350 E352 E353 R357 A358 V359 D486 N490 T493 | I348-H355 HydrophobicContact CD1-CB 4.38Å; T350-H355 VanDerWaalsContact CA-CD2 3.41Å; T350-H355 WeakPolarHBondContact CA-CD2 3.48Å; T350-H355 PolarHBondContact O-CD2 3.44Å; T350-H355 VanDerWaalsContact O-CD2 3.27Å; E352-H355 WeakPolarHBondContact O-CB 3.41Å; E352-H355 PolarHBondContact O-N 2.95Å; E353-H355 PolarHBondContact O-N 2.76Å; H355-R357 VanDerWaalsContact C-N 3.3Å; H355-R357 PolarHBondContact O-N 3.25Å; H355-A358 WeakPolarHBondContact O-CA 3.34Å; H355-A358 WeakPolarHBondContact O-CB 3.23Å; H355-A358 PolarHBondContact O-N 3.5Å; H355-V359 WeakPolarHBondContact O-CG2 3.47Å; H355-V359 PolarHBondContact O-N 2.93Å; H355-D486 IonicContact CD2-OD1 3.51Å; H355-D486 PolarHBondContact CD2-OD1 3.33Å; H355-D486 PolarHBondContact CE1-O 2.82Å; H355-D486 PolarHBondContact NE2-O 2.82Å; H355-D486 IonicContact NE2-OD1 3.44Å; H355-D486 PolarHBondContact NE2-OD1 2.94Å; H355-D486 IonicContact NE2-OD2 2.95Å; H355-N490 PolarHBondContact CE1-N 3.16Å; H355-N490 VanDerWaalsContact CE1-N 3.29Å; H355-T493 HydrophobicContact CB-CG2 4.05Å; H355-T493 PolarHBondContact ND1-OG1 2.72Å |
| 356 | R | 97.7 | Very high | 96.6 | Very high | 81 Ų | 81 | 39.9 Ų | 39.9 | 31% | 0.306 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -55 | -45.9 | 174.7 | -63 | -179.6 | 176.5 | -141.1 | -8.3 | 112.2 | Y307 T351 E352 E353 A358 V359 H360 I471 | Y307-R356 PolarHBondContact OH-NE 3.5Å; Y307-R356 PolarHBondContact OH-NH2 3.42Å; T351-R356 PolarHBondContact O-NE 3.34Å; E352-R356 PolarHBondContact O-N 3.26Å; E352-R356 VanDerWaalsContact O-N 3.12Å; E353-R356 PolarHBondContact O-N 3.19Å; R356-A358 PolarHBondContact O-N 3.43Å; R356-V359 PolarHBondContact O-N 3.28Å; R356-H360 PolarHBondContact O-N 2.98Å; R356-I471 HydrophobicContact CB-CD1 4.22Å; R356-I471 HydrophobicContact CG-CD1 3.85Å; R356-I471 HydrophobicContact CG-CG1 4.46Å |
| 357 | R | 98.2 | Very high | 97.1 | Very high | 133 Ų | 133 | 39 Ų | 39 | 50% | 0.502 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.9 | -65.3 | -170.6 | -45.8 | -169.1 | 9.9 | 112.5 | E353 H355 H361 D499 | E353-R357 WeakPolarHBondContact O-CG 3.34Å; E353-R357 PolarHBondContact O-N 2.9Å; H355-R357 VanDerWaalsContact C-N 3.3Å; H355-R357 PolarHBondContact O-N 3.25Å; R357-H361 WeakPolarHBondContact O-CB 3.32Å; R357-H361 PolarHBondContact O-N 3.03Å; R357-D499 IonicContact NH2-OD2 3.3Å |
| 358 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R354 H355 R356 H361 F362 V489 T493 Y497 | R354-A358 PolarHBondContact O-N 2.95Å; R354-A358 VanDerWaalsContact O-N 3.15Å; H355-A358 WeakPolarHBondContact O-CA 3.34Å; H355-A358 WeakPolarHBondContact O-CB 3.23Å; H355-A358 PolarHBondContact O-N 3.5Å; R356-A358 PolarHBondContact O-N 3.43Å; A358-H361 PolarHBondContact O-N 3.28Å; A358-F362 WeakPolarHBondContact O-CB 3.32Å; A358-F362 PolarHBondContact O-N 3.29Å; A358-V489 HydrophobicContact CB-CG1 4.02Å; A358-T493 HydrophobicContact CB-CG2 4.26Å; A358-T493 VanDerWaalsContact CB-OG1 3.31Å; A358-T493 WeakPolarHBondContact CB-OG1 3.48Å; A358-Y497 HydrophobicContact CB-CD1 4Å |
| 359 | V | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | 179.7 | 175 | 0 | 0 | 0 | 0 | 111.7 | H355 R356 H361 F362 W363 I471 I481 D486 V489 | H355-V359 WeakPolarHBondContact O-CG2 3.47Å; H355-V359 PolarHBondContact O-N 2.93Å; R356-V359 PolarHBondContact O-N 3.28Å; V359-H361 VanDerWaalsContact C-N 3.33Å; V359-H361 PolarHBondContact O-N 2.97Å; V359-F362 PolarHBondContact O-N 3.4Å; V359-W363 WeakPolarHBondContact O-CB 3.49Å; V359-W363 PolarHBondContact O-N 3.46Å; V359-I471 HydrophobicContact CB-CD1 3.97Å; V359-I471 HydrophobicContact CG1-CD1 4.08Å; V359-I471 HydrophobicContact CG1-CG2 4.36Å; V359-I471 HydrophobicContact CG2-CD1 4.11Å; V359-I481 HydrophobicContact CG1-CD1 3.73Å; V359-I481 HydrophobicContact CG1-CG2 4.26Å; V359-D486 HydrophobicContact CG1-CB 4.4Å; V359-D486 HydrophobicContact CG2-CB 4.43Å; V359-D486 WeakPolarHBondContact CG2-OD1 3.41Å; V359-V489 HydrophobicContact CG2-CB 3.92Å; V359-V489 HydrophobicContact CG2-CG1 3.74Å |
| 360 | H | 98.5 | Very high | 97.7 | Very high | 76 Ų | 76 | 52 Ų | 52 | 35% | 0.352 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 174.7 | -78 | 171.4 | 0 | 0 | 0 | 112.5 | R356 G364 I471 D472 P474 | R356-H360 PolarHBondContact O-N 2.98Å; H360-G364 PolarHBondContact O-N 3.17Å; H360-I471 VanDerWaalsContact NE2-CG2 3.29Å; H360-I471 WeakPolarHBondContact NE2-CG2 3.33Å; H360-D472 PolarHBondContact NE2-O 2.74Å; H360-P474 HydrophobicContact CB-CG 4.25Å |
| 361 | H | 98.5 | Very high | 97.8 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 37% | 0.366 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 174.9 | -172.2 | 109.4 | 0 | 0 | 0 | 111 | R357 A358 V359 W363 G364 V365 Y497 P498 | R357-H361 WeakPolarHBondContact O-CB 3.32Å; R357-H361 PolarHBondContact O-N 3.03Å; A358-H361 PolarHBondContact O-N 3.28Å; V359-H361 VanDerWaalsContact C-N 3.33Å; V359-H361 PolarHBondContact O-N 2.97Å; H361-W363 VanDerWaalsContact C-N 3.35Å; H361-W363 PolarHBondContact O-N 3.46Å; H361-G364 WeakPolarHBondContact O-CA 3.39Å; H361-G364 PolarHBondContact O-N 2.67Å; H361-G364 VanDerWaalsContact O-N 3.08Å; H361-V365 WeakPolarHBondContact O-CG2 3.38Å; H361-V365 PolarHBondContact O-N 3.28Å; H361-Y497 HydrophobicContact CB-CE1 4.32Å; H361-Y497 AromaticContact CD2-CE1 3.98Å; H361-Y497 AromaticContact CD2-CZ 3.64Å; H361-Y497 PolarHBondContact CD2-OH 3.34Å; H361-P498 HydrophobicContact CB-CB 3.86Å; H361-P498 HydrophobicContact CB-CG 3.88Å; H361-P498 VanDerWaalsContact CG-CB 3.41Å; H361-P498 WeakPolarHBondContact ND1-CB 3.45Å |
| 362 | F | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 179.7 | -165.6 | -96.3 | 0 | 0 | 0 | 111.3 | A358 V359 G364 V365 L366 L485 V489 L492 Y497 W523 F526 A530 L532 | A358-F362 WeakPolarHBondContact O-CB 3.32Å; A358-F362 PolarHBondContact O-N 3.29Å; V359-F362 PolarHBondContact O-N 3.4Å; F362-G364 VanDerWaalsContact C-N 3.31Å; F362-G364 PolarHBondContact O-N 2.81Å; F362-V365 WeakPolarHBondContact O-CB 3.39Å; F362-V365 PolarHBondContact O-N 2.89Å; F362-V365 VanDerWaalsContact O-N 3.09Å; F362-L366 HydrophobicContact CD1-CD1 3.96Å; F362-L366 HydrophobicContact CD1-CG 4.16Å; F362-L366 HydrophobicContact CE1-CD1 3.76Å; F362-L366 HydrophobicContact CE1-CD2 4.15Å; F362-L366 HydrophobicContact CE1-CG 4.03Å; F362-L366 HydrophobicContact CZ-CD2 4.47Å; F362-L366 WeakPolarHBondContact O-CG 3.35Å; F362-L366 PolarHBondContact O-N 2.83Å; F362-L485 HydrophobicContact CD1-CD1 4.06Å; F362-L485 HydrophobicContact CE1-CD1 3.8Å; F362-V489 HydrophobicContact CB-CG1 4.39Å; F362-V489 HydrophobicContact CB-CG2 4.09Å; F362-V489 HydrophobicContact CD1-CG2 3.68Å; F362-V489 HydrophobicContact CD2-CG2 4.2Å; F362-V489 HydrophobicContact CE1-CG2 4.12Å; F362-V489 HydrophobicContact CG-CG2 3.72Å; F362-L492 HydrophobicContact CD2-CD1 3.74Å; F362-L492 HydrophobicContact CE2-CD1 3.62Å; F362-Y497 HydrophobicContact CB-CE1 4.07Å; F362-Y497 HydrophobicContact CD2-CE1 4.17Å; F362-W523 HydrophobicContact CZ-CZ3 4.18Å; F362-F526 HydrophobicContact CE1-CB 4.02Å; F362-F526 HydrophobicContact CZ-CB 3.97Å; F362-F526 WeakPolarHBondContact CZ-O 3.41Å; F362-A530 HydrophobicContact CD2-CB 4.25Å; F362-A530 HydrophobicContact CE2-CB 3.46Å; F362-A530 VanDerWaalsContact CE2-CB 3.46Å; F362-A530 HydrophobicContact CZ-CB 3.75Å; F362-L532 HydrophobicContact CE2-CD1 4.01Å |
| 363 | W | 98.7 | Very high | 98 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 5% | 0.045 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.7 | -46.9 | 172.5 | -177.4 | -84.8 | 0 | 0 | 0 | 112.1 | V359 H361 V365 L366 A367 L372 Y418 V460 V473 P474 I481 L485 | V359-W363 WeakPolarHBondContact O-CB 3.49Å; V359-W363 PolarHBondContact O-N 3.46Å; H361-W363 VanDerWaalsContact C-N 3.35Å; H361-W363 PolarHBondContact O-N 3.46Å; W363-V365 VanDerWaalsContact C-N 3.3Å; W363-V365 PolarHBondContact O-N 3.26Å; W363-L366 PolarHBondContact O-N 2.7Å; W363-A367 WeakPolarHBondContact O-CB 3.42Å; W363-A367 PolarHBondContact O-N 3.44Å; W363-L372 HydrophobicContact CD2-CD1 3.85Å; W363-L372 HydrophobicContact CE3-CD1 4.19Å; W363-L372 HydrophobicContact CG-CD1 4.38Å; W363-L372 HydrophobicContact CH2-CD1 4.16Å; W363-L372 HydrophobicContact CZ2-CD1 3.8Å; W363-L372 HydrophobicContact CZ3-CD1 4.34Å; W363-Y418 HydrophobicContact CH2-CD2 4.27Å; W363-Y418 AromaticContact CH2-CG 3.93Å; W363-Y418 HydrophobicContact CH2-CG 3.93Å; W363-Y418 AromaticContact CZ2-CD1 3.98Å; W363-Y418 HydrophobicContact CZ2-CD1 3.98Å; W363-Y418 AromaticContact CZ2-CD2 3.98Å; W363-Y418 HydrophobicContact CZ2-CD2 3.98Å; W363-Y418 AromaticContact CZ2-CG 3.68Å; W363-Y418 HydrophobicContact CZ2-CG 3.68Å; W363-V460 HydrophobicContact CH2-CG2 4.16Å; W363-V460 HydrophobicContact CZ3-CB 4.48Å; W363-V460 HydrophobicContact CZ3-CG2 4Å; W363-V460 WeakPolarHBondContact CZ3-O 3.39Å; W363-V473 HydrophobicContact CH2-CG1 4.37Å; W363-V473 HydrophobicContact CH2-CG2 3.82Å; W363-V473 HydrophobicContact CZ2-CB 4.29Å; W363-V473 HydrophobicContact CZ2-CG1 3.5Å; W363-V473 VanDerWaalsContact CZ2-CG1 3.5Å; W363-V473 HydrophobicContact CZ2-CG2 3.79Å; W363-V473 HydrophobicContact CZ3-CG2 4.4Å; W363-P474 HydrophobicContact CG-CG 4.28Å; W363-I481 HydrophobicContact CB-CD1 4.37Å; W363-I481 HydrophobicContact CD2-CD1 4.18Å; W363-I481 HydrophobicContact CD2-CG1 4.39Å; W363-I481 HydrophobicContact CE3-CD1 3.86Å; W363-I481 HydrophobicContact CE3-CG1 3.82Å; W363-I481 HydrophobicContact CE3-CG2 4.34Å; W363-I481 HydrophobicContact CG-CD1 4.41Å; W363-I481 HydrophobicContact CZ3-CG1 3.97Å; W363-I481 HydrophobicContact CZ3-CG2 4.37Å; W363-L485 HydrophobicContact CE3-CD2 3.92Å; W363-L485 HydrophobicContact CZ3-CD2 4.04Å |
| 364 | G | 98.3 | Very high | 97.9 | Very high | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H360 H361 F362 R368 | H360-G364 PolarHBondContact O-N 3.17Å; H361-G364 WeakPolarHBondContact O-CA 3.39Å; H361-G364 PolarHBondContact O-N 2.67Å; H361-G364 VanDerWaalsContact O-N 3.08Å; F362-G364 VanDerWaalsContact C-N 3.31Å; F362-G364 PolarHBondContact O-N 2.81Å; G364-R368 WeakPolarHBondContact O-CB 3.38Å; G364-R368 WeakPolarHBondContact O-CG 3.29Å; G364-R368 PolarHBondContact O-N 3.42Å; G364-R368 PolarHBondContact O-NH1 3.15Å |
| 365 | V | 98.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 49.2 Ų | 49.2 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -50.2 | 174.5 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | H361 F362 W363 A367 R368 R369 A530 | H361-V365 WeakPolarHBondContact O-CG2 3.38Å; H361-V365 PolarHBondContact O-N 3.28Å; F362-V365 WeakPolarHBondContact O-CB 3.39Å; F362-V365 PolarHBondContact O-N 2.89Å; F362-V365 VanDerWaalsContact O-N 3.09Å; W363-V365 VanDerWaalsContact C-N 3.3Å; W363-V365 PolarHBondContact O-N 3.26Å; V365-A367 VanDerWaalsContact C-N 3.31Å; V365-A367 PolarHBondContact O-N 3.09Å; V365-R368 PolarHBondContact O-N 2.91Å; V365-R369 WeakPolarHBondContact O-CB 3.46Å; V365-R369 WeakPolarHBondContact O-CG 3.3Å; V365-R369 PolarHBondContact O-N 3.46Å; V365-A530 HydrophobicContact CG1-CB 4.11Å |
| 366 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 178.8 | -61.9 | -176.3 | 0 | 0 | 0 | 112 | F362 W363 G370 C371 L372 F420 L485 A529 A530 | F362-L366 HydrophobicContact CD1-CD1 3.96Å; F362-L366 HydrophobicContact CD1-CG 4.16Å; F362-L366 HydrophobicContact CE1-CD1 3.76Å; F362-L366 HydrophobicContact CE1-CD2 4.15Å; F362-L366 HydrophobicContact CE1-CG 4.03Å; F362-L366 HydrophobicContact CZ-CD2 4.47Å; F362-L366 WeakPolarHBondContact O-CG 3.35Å; F362-L366 PolarHBondContact O-N 2.83Å; W363-L366 PolarHBondContact O-N 2.7Å; L366-G370 PolarHBondContact O-N 2.95Å; L366-C371 HydrophobicContact CB-CB 4.48Å; L366-C371 WeakPolarHBondContact O-CB 3.46Å; L366-C371 PolarHBondContact O-N 3.27Å; L366-L372 HydrophobicContact CB-CD1 3.87Å; L366-L372 HydrophobicContact CB-CD2 4.3Å; L366-L372 HydrophobicContact CB-CG 3.85Å; L366-L372 HydrophobicContact CD1-CD2 4.44Å; L366-F420 HydrophobicContact CD2-CE2 4.34Å; L366-L485 HydrophobicContact CD1-CD1 4.33Å; L366-L485 HydrophobicContact CD1-CD2 4.38Å; L366-A529 HydrophobicContact CD2-CB 3.52Å; L366-A530 HydrophobicContact CD2-CB 4.41Å |
| 367 | A | 97.9 | Very high | 96.6 | Very high | 47 Ų | 47 | 54 Ų | 54 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | W363 V365 R369 G370 L372 | W363-A367 WeakPolarHBondContact O-CB 3.42Å; W363-A367 PolarHBondContact O-N 3.44Å; V365-A367 VanDerWaalsContact C-N 3.31Å; V365-A367 PolarHBondContact O-N 3.09Å; A367-R369 VanDerWaalsContact C-N 3.27Å; A367-R369 PolarHBondContact O-N 3.43Å; A367-G370 PolarHBondContact O-N 3.29Å; A367-L372 HydrophobicContact CB-CD1 4.19Å |
| 368 | R | 98.1 | Very high | 96.1 | Very high | 176 Ų | 176 | 50.4 Ų | 50.4 | 66% | 0.664 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.1 | -32.2 | 179.7 | -75.6 | -170.2 | -57.6 | -88.1 | 3.9 | 112.9 | G364 V365 G370 | G364-R368 WeakPolarHBondContact O-CB 3.38Å; G364-R368 WeakPolarHBondContact O-CG 3.29Å; G364-R368 PolarHBondContact O-N 3.42Å; G364-R368 PolarHBondContact O-NH1 3.15Å; V365-R368 PolarHBondContact O-N 2.91Å; R368-G370 PolarHBondContact O-N 2.81Å |
| 369 | R | 98.2 | Very high | 95.6 | Very high | 133 Ų | 133 | 50.6 Ų | 50.6 | 50% | 0.502 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 2.8 | 175.9 | -70.9 | -178.8 | 171.3 | -108.2 | 4.3 | 113.5 | V365 A367 C371 A529 D531 | V365-R369 WeakPolarHBondContact O-CB 3.46Å; V365-R369 WeakPolarHBondContact O-CG 3.3Å; V365-R369 PolarHBondContact O-N 3.46Å; A367-R369 VanDerWaalsContact C-N 3.27Å; A367-R369 PolarHBondContact O-N 3.43Å; R369-C371 PolarHBondContact O-N 3.38Å; R369-A529 WeakPolarHBondContact CD-O 3.36Å; R369-D531 IonicContact CZ-OD2 3.63Å; R369-D531 IonicContact NH1-OD2 3.37Å; R369-D531 IonicContact NH2-OD2 3.72Å; R369-D531 PolarHBondContact NH2-OD2 3.26Å |
| 370 | G | 97.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 15.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L366 A367 R368 L372 R421 | L366-G370 PolarHBondContact O-N 2.95Å; A367-G370 PolarHBondContact O-N 3.29Å; R368-G370 PolarHBondContact O-N 2.81Å; G370-L372 VanDerWaalsContact C-N 3.29Å; G370-R421 WeakPolarHBondContact O-CD 3.43Å; G370-R421 PolarHBondContact O-NE 3.41Å |
| 371 | C | 98.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.034 | 25% | 0.253 | C | S | . | . | trans | -80.9 | -11.4 | -178.3 | -55.6 | 0 | 0 | 0 | 0 | 113 | L366 R369 F420 R421 A529 | L366-C371 HydrophobicContact CB-CB 4.48Å; L366-C371 WeakPolarHBondContact O-CB 3.46Å; L366-C371 PolarHBondContact O-N 3.27Å; R369-C371 PolarHBondContact O-N 3.38Å; C371-F420 HydrophobicContact CB-CD2 4.15Å; C371-F420 HydrophobicContact CB-CE2 3.91Å; C371-F420 WeakPolarHBondContact O-CA 3.2Å; C371-R421 WeakPolarHBondContact O-CG 3.31Å; C371-R421 PolarHBondContact O-N 3.37Å; C371-A529 HydrophobicContact CB-CB 4.29Å | ||
| 372 | L | 98.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 46.5 Ų | 46.5 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.7 | 178.4 | -57.6 | -178.9 | 0 | 0 | 0 | 111.1 | W363 L366 A367 G370 M419 F420 V460 | W363-L372 HydrophobicContact CD2-CD1 3.85Å; W363-L372 HydrophobicContact CE3-CD1 4.19Å; W363-L372 HydrophobicContact CG-CD1 4.38Å; W363-L372 HydrophobicContact CH2-CD1 4.16Å; W363-L372 HydrophobicContact CZ2-CD1 3.8Å; W363-L372 HydrophobicContact CZ3-CD1 4.34Å; L366-L372 HydrophobicContact CB-CD1 3.87Å; L366-L372 HydrophobicContact CB-CD2 4.3Å; L366-L372 HydrophobicContact CB-CG 3.85Å; L366-L372 HydrophobicContact CD1-CD2 4.44Å; A367-L372 HydrophobicContact CB-CD1 4.19Å; G370-L372 VanDerWaalsContact C-N 3.29Å; L372-M419 VanDerWaalsContact CA-O 3.32Å; L372-M419 WeakPolarHBondContact CA-O 3.36Å; L372-F420 HydrophobicContact CD2-CB 4.12Å; L372-F420 HydrophobicContact CD2-CD2 4.07Å; L372-V460 HydrophobicContact CD2-CG2 3.65Å |
| 373 | Y | 97 | Very high | 93.7 | Very high | 73 Ų | 73 | 49.6 Ų | 49.6 | 29% | 0.286 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 151.6 | 171 | 64.6 | -83 | 0 | 0 | 0 | 110.7 | Y418 M419 R421 D457 | Y373-Y418 CarbonylContact O-C 3.5Å; Y373-Y418 WeakPolarHBondContact O-CA 3.41Å; Y373-M419 HydrophobicContact CD1-CB 3.98Å; Y373-M419 HydrophobicContact CD2-CB 4.01Å; Y373-M419 HydrophobicContact CD2-CG 4.33Å; Y373-M419 HydrophobicContact CE1-CB 3.55Å; Y373-M419 HydrophobicContact CE2-CB 3.58Å; Y373-M419 HydrophobicContact CE2-CG 3.79Å; Y373-M419 HydrophobicContact CG-CB 4.21Å; Y373-M419 PolarHBondContact N-O 3.16Å; Y373-M419 PolarHBondContact O-N 3.3Å; Y373-R421 HydrophobicContact CD1-CG 3.81Å; Y373-R421 HydrophobicContact CE1-CG 3.77Å; Y373-D457 VanDerWaalsContact CE1-OD2 3.3Å; Y373-D457 WeakPolarHBondContact CE1-OD2 3.02Å; Y373-D457 WeakPolarHBondContact OH-CB 3.49Å; Y373-D457 PolarHBondContact OH-OD2 2.91Å |
| 374 | K | 95.6 | Very high | 92.9 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 46% | 0.457 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 133 | 175.7 | -161.8 | 162.4 | -173.6 | 162.6 | 0 | 109.2 | T416 N417 D476 | K374-T416 HydrophobicContact CD-CG2 4.4Å; K374-T416 HydrophobicContact CG-CG2 3.9Å; K374-N417 WeakPolarHBondContact CA-O 3.5Å; K374-D476 IonicContact NZ-OD2 2.79Å; K374-D476 PolarHBondContact NZ-OD2 2.86Å |
| 375 | G | 92.1 | Very high | 92.2 | Very high | 18 Ų | 18 | 51.7 Ų | 51.7 | 19% | 0.186 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 155.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T416 N417 | G375-T416 WeakPolarHBondContact O-CA 3.42Å; G375-N417 PolarHBondContact N-O 3.48Å; G375-N417 PolarHBondContact O-N 2.9Å; G375-N417 VanDerWaalsContact O-O 3.13Å |
| 376 | N | 88.3 | Confident | 91.6 | Very high | 129 Ų | 129 | 51.2 Ų | 51.2 | 69% | 0.69 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 120.1 | 168.6 | -70.3 | -11.7 | 0 | 0 | 0 | 108.3 | T416 | N376-T416 WeakPolarHBondContact OD1-CB 3.3Å; N376-T416 PolarHBondContact OD1-OG1 3.43Å |
| 377 | Y | 83.3 | Confident | 90.9 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 21% | 0.208 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.7 | 178.2 | -175.3 | -94.2 | 0 | 0 | 0 | 109.5 | F388 S414 E415 M419 | Y377-F388 HydrophobicContact CD1-CD1 4.19Å; Y377-F388 HydrophobicContact CD1-CD2 4.21Å; Y377-F388 HydrophobicContact CD1-CE1 4.02Å; Y377-F388 HydrophobicContact CD1-CE2 4.08Å; Y377-F388 HydrophobicContact CD1-CG 4.24Å; Y377-F388 AromaticContact CD1-CZ 3.97Å; Y377-F388 HydrophobicContact CD1-CZ 3.97Å; Y377-F388 HydrophobicContact CE1-CB 3.83Å; Y377-F388 AromaticContact CE1-CD1 3.48Å; Y377-F388 HydrophobicContact CE1-CD1 3.48Å; Y377-F388 VanDerWaalsContact CE1-CD1 3.48Å; Y377-F388 AromaticContact CE1-CD2 3.75Å; Y377-F388 HydrophobicContact CE1-CD2 3.75Å; Y377-F388 AromaticContact CE1-CE1 3.79Å; Y377-F388 HydrophobicContact CE1-CE1 3.79Å; Y377-F388 HydrophobicContact CE1-CE2 4.07Å; Y377-F388 AromaticContact CE1-CG 3.42Å; Y377-F388 HydrophobicContact CE1-CG 3.42Å; Y377-F388 VanDerWaalsContact CE1-CG 3.42Å; Y377-F388 HydrophobicContact CE1-CZ 4.07Å; Y377-S414 WeakPolarHBondContact O-CA 3.24Å; Y377-E415 PolarHBondContact N-O 3.45Å; Y377-E415 PolarHBondContact O-N 2.62Å; Y377-M419 HydrophobicContact CD2-CE 3.34Å; Y377-M419 HydrophobicContact CD2-SD 4.09Å; Y377-M419 HydrophobicContact CE2-CE 3.9Å; Y377-M419 HydrophobicContact CG-CE 3.97Å; Y377-M419 HydrophobicContact CG-SD 4.15Å |
| 378 | S | 86.4 | Confident | 90.3 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 126.9 | 174.3 | -57 | 0 | 0 | 0 | 0 | 108.9 | L413 S414 | S378-L413 CarbonylContact C-O 3.52Å; S378-L413 VanDerWaalsContact CA-O 3.23Å; S378-L413 WeakPolarHBondContact CA-O 3.5Å; S378-S414 WeakPolarHBondContact OG-CB 3.34Å; S378-S414 PolarHBondContact OG-OG 3.34Å |
| 379 | G | 87.7 | Confident | 89.7 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 170.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y381 L413 | G379-Y381 PolarHBondContact O-N 2.84Å; G379-L413 PolarHBondContact N-O 3.38Å; G379-L413 PolarHBondContact O-N 3.46Å |
| 380 | W | 91 | Very high | 89 | Confident | 65 Ų | 65 | 37.7 Ų | 37.7 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 117.1 | 175 | -66.1 | 101.9 | 0 | 0 | 0 | 109.8 | F388 Y389 L394 K401 V410 W412 | W380-F388 CarbonylContact O-C 3.57Å; W380-F388 VanDerWaalsContact O-CA 3.3Å; W380-F388 WeakPolarHBondContact O-CA 3.45Å; W380-Y389 PolarHBondContact O-N 3.46Å; W380-L394 HydrophobicContact CB-CD1 3.54Å; W380-L394 HydrophobicContact CD2-CD1 3.94Å; W380-L394 HydrophobicContact CG-CD1 3.29Å; W380-K401 HydrophobicContact CD2-CD 4.15Å; W380-K401 HydrophobicContact CE3-CD 4.3Å; W380-K401 HydrophobicContact CH2-CD 3.78Å; W380-K401 HydrophobicContact CZ2-CD 3.59Å; W380-K401 HydrophobicContact CZ3-CD 4.12Å; W380-V410 HydrophobicContact CB-CB 4.15Å; W380-V410 HydrophobicContact CB-CG2 3.99Å; W380-V410 HydrophobicContact CD2-CG2 4.19Å; W380-V410 HydrophobicContact CE3-CB 4.46Å; W380-V410 HydrophobicContact CE3-CG2 3.77Å; W380-V410 HydrophobicContact CG-CG2 4.31Å; W380-W412 AromaticContact CD1-CE3 3.68Å; W380-W412 AromaticContact CD1-CZ3 3.66Å; W380-W412 HydrophobicContact CD2-CB 4.45Å; W380-W412 AromaticContact CD2-CE3 3.74Å; W380-W412 HydrophobicContact CD2-CE3 3.74Å; W380-W412 HydrophobicContact CD2-CZ3 4.47Å; W380-W412 AromaticContact CE2-CE3 3.51Å; W380-W412 HydrophobicContact CE3-CB 4.03Å; W380-W412 HydrophobicContact CE3-CE3 4.45Å; W380-W412 AromaticContact CG-CE3 3.83Å; W380-W412 HydrophobicContact CG-CE3 3.83Å; W380-W412 HydrophobicContact CG-CZ3 4.23Å; W380-W412 HydrophobicContact CH2-CB 4.17Å; W380-W412 HydrophobicContact CZ2-CE3 4.03Å; W380-W412 HydrophobicContact CZ3-CB 3.89Å; W380-W412 AromaticContact NE1-CE3 3.48Å; W380-W412 AromaticContact NE1-CZ3 3.52Å |
| 381 | Y | 89.8 | Confident | 88.3 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132.5 | -177.9 | -173.9 | -109.1 | 0 | 0 | 0 | 111.2 | G379 E386 C387 F388 V410 T411 L413 | G379-Y381 PolarHBondContact O-N 2.84Å; Y381-E386 WeakPolarHBondContact CE2-O 3.21Å; Y381-E386 WeakPolarHBondContact OH-CA 3.36Å; Y381-E386 PolarHBondContact OH-O 3.36Å; Y381-C387 WeakPolarHBondContact CD2-O 3.27Å; Y381-F388 AromaticContact CD2-CD1 3.92Å; Y381-F388 HydrophobicContact CD2-CD1 3.92Å; Y381-F388 AromaticContact CD2-CD2 3.89Å; Y381-F388 HydrophobicContact CD2-CD2 3.89Å; Y381-F388 AromaticContact CD2-CE1 3.93Å; Y381-F388 HydrophobicContact CD2-CE1 3.93Å; Y381-F388 AromaticContact CD2-CE2 3.85Å; Y381-F388 HydrophobicContact CD2-CE2 3.85Å; Y381-F388 AromaticContact CD2-CG 3.94Å; Y381-F388 HydrophobicContact CD2-CG 3.94Å; Y381-F388 AromaticContact CD2-CZ 3.89Å; Y381-F388 HydrophobicContact CD2-CZ 3.89Å; Y381-F388 HydrophobicContact CE2-CD2 4.43Å; Y381-F388 HydrophobicContact CE2-CE2 4.35Å; Y381-F388 HydrophobicContact CG-CD1 4.35Å; Y381-F388 HydrophobicContact CG-CE1 4.18Å; Y381-F388 HydrophobicContact CG-CZ 4.4Å; Y381-V410 CarbonylContact O-C 3.5Å; Y381-V410 VanDerWaalsContact O-CA 3.24Å; Y381-V410 WeakPolarHBondContact O-CA 3.4Å; Y381-T411 PolarHBondContact N-O 2.8Å; Y381-T411 PolarHBondContact O-N 2.73Å; Y381-L413 HydrophobicContact CD1-CD1 3.78Å; Y381-L413 HydrophobicContact CG-CD1 3.88Å |
| 382 | C | 89 | Confident | 87.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 111.4 | 170.2 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | S384 D385 E386 C387 Y389 H408 V410 | C382-S384 PolarHBondContact O-N 3.36Å; C382-S384 PolarHBondContact SG-N 3.16Å; C382-D385 HydrophobicContact CB-CB 3.96Å; C382-D385 PolarHBondContact O-N 3.31Å; C382-D385 PolarHBondContact SG-N 3.47Å; C382-D385 VanDerWaalsContact SG-N 3.35Å; C382-D385 PolarHBondContact SG-OD2 3.5Å; C382-E386 WeakPolarHBondContact O-CA 3.42Å; C382-E386 PolarHBondContact O-N 3.1Å; C382-C387 PolarHBondContact N-O 2.98Å; C382-Y389 HydrophobicContact CB-CD2 3.84Å; C382-Y389 HydrophobicContact CB-CE2 3.59Å; C382-H408 WeakPolarHBondContact SG-CB 3.32Å; C382-V410 HydrophobicContact CB-CG1 3.86Å |
| 383 | T | 85.4 | Confident | 86.9 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 41% | 0.405 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -31.6 | 173.4 | -50.4 | 0 | 0 | 0 | 0 | 111.8 | K310 E386 | K310-T383 WeakPolarHBondContact CE-O 3.4Å; T383-E386 WeakPolarHBondContact O-CG 3.15Å |
| 384 | S | 82.5 | Confident | 86.5 | Confident | 49 Ų | 49 | 42 Ų | 42 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -20.4 | -179.7 | -60.9 | 0 | 0 | 0 | 0 | 114.1 | K310 C382 H408 | K310-S384 VanDerWaalsContact CE-CA 3.41Å; K310-S384 WeakPolarHBondContact CE-O 3.29Å; K310-S384 PolarHBondContact NZ-O 2.95Å; C382-S384 PolarHBondContact O-N 3.36Å; C382-S384 PolarHBondContact SG-N 3.16Å; S384-H408 VanDerWaalsContact CB-CG 3.49Å; S384-H408 WeakPolarHBondContact CB-ND1 3.22Å |
| 385 | D | 83.4 | Confident | 86.1 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -6.5 | 177.1 | -52.8 | -33.3 | 0 | 0 | 0 | 111.5 | C382 C387 Y389 S406 H408 W484 | C382-D385 HydrophobicContact CB-CB 3.96Å; C382-D385 PolarHBondContact O-N 3.31Å; C382-D385 PolarHBondContact SG-N 3.47Å; C382-D385 VanDerWaalsContact SG-N 3.35Å; C382-D385 PolarHBondContact SG-OD2 3.5Å; D385-C387 PolarHBondContact O-N 3.07Å; D385-C387 VanDerWaalsContact O-N 3.07Å; D385-Y389 HydrophobicContact CB-CE2 4.11Å; D385-Y389 VanDerWaalsContact OD2-CE2 3.28Å; D385-Y389 WeakPolarHBondContact OD2-CE2 3.25Å; D385-Y389 PolarHBondContact OD2-OH 3.02Å; D385-S406 WeakPolarHBondContact OD1-CB 3.26Å; D385-S406 PolarHBondContact OD1-OG 3.46Å; D385-S406 WeakPolarHBondContact OD2-CB 3.46Å; D385-S406 PolarHBondContact OD2-OG 3.4Å; D385-H408 IonicContact OD1-CE1 2.83Å; D385-H408 IonicContact OD1-CG 3.52Å; D385-H408 IonicContact OD1-ND1 2.77Å; D385-H408 PolarHBondContact OD1-ND1 2.94Å; D385-H408 IonicContact OD2-ND1 2.64Å; D385-W484 PolarHBondContact O-NE1 2.78Å |
| 386 | E | 84.4 | Confident | 85.9 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 17.1 | -175.7 | -62.8 | -176 | 137.8 | 0 | 0 | 115 | G308 S309 K310 Y381 C382 T383 R462 Y482 V483 | G308-E386 WeakPolarHBondContact CA-OE1 3.48Å; S309-E386 PolarHBondContact N-OE1 2.9Å; K310-E386 HydrophobicContact CD-CG 4.17Å; K310-E386 HydrophobicContact CG-CG 4.39Å; K310-E386 PolarHBondContact N-OE1 3.07Å; Y381-E386 WeakPolarHBondContact CE2-O 3.21Å; Y381-E386 WeakPolarHBondContact OH-CA 3.36Å; Y381-E386 PolarHBondContact OH-O 3.36Å; C382-E386 WeakPolarHBondContact O-CA 3.42Å; C382-E386 PolarHBondContact O-N 3.1Å; T383-E386 WeakPolarHBondContact O-CG 3.15Å; E386-R462 PolarHBondContact O-NH2 2.83Å; E386-Y482 VanDerWaalsContact O-CE2 3.26Å; E386-Y482 WeakPolarHBondContact O-CE2 3.4Å; E386-V483 HydrophobicContact CB-CG2 3.92Å; E386-V483 WeakPolarHBondContact OE2-CG2 3.48Å |
| 387 | C | 84.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 161.6 | -178.6 | 74.2 | 0 | 0 | 0 | 0 | 113.1 | Y381 C382 D385 Y389 | Y381-C387 WeakPolarHBondContact CD2-O 3.27Å; C382-C387 PolarHBondContact N-O 2.98Å; D385-C387 PolarHBondContact O-N 3.07Å; D385-C387 VanDerWaalsContact O-N 3.07Å; C387-Y389 VanDerWaalsContact SG-CE2 3.57Å |
| 388 | F | 86 | Confident | 85.5 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 151.4 | 166.9 | -72.3 | -84.6 | 0 | 0 | 0 | 110.7 | Y377 W380 Y381 L413 E415 | Y377-F388 HydrophobicContact CD1-CD1 4.19Å; Y377-F388 HydrophobicContact CD1-CD2 4.21Å; Y377-F388 HydrophobicContact CD1-CE1 4.02Å; Y377-F388 HydrophobicContact CD1-CE2 4.08Å; Y377-F388 HydrophobicContact CD1-CG 4.24Å; Y377-F388 AromaticContact CD1-CZ 3.97Å; Y377-F388 HydrophobicContact CD1-CZ 3.97Å; Y377-F388 HydrophobicContact CE1-CB 3.83Å; Y377-F388 AromaticContact CE1-CD1 3.48Å; Y377-F388 HydrophobicContact CE1-CD1 3.48Å; Y377-F388 VanDerWaalsContact CE1-CD1 3.48Å; Y377-F388 AromaticContact CE1-CD2 3.75Å; Y377-F388 HydrophobicContact CE1-CD2 3.75Å; Y377-F388 AromaticContact CE1-CE1 3.79Å; Y377-F388 HydrophobicContact CE1-CE1 3.79Å; Y377-F388 HydrophobicContact CE1-CE2 4.07Å; Y377-F388 AromaticContact CE1-CG 3.42Å; Y377-F388 HydrophobicContact CE1-CG 3.42Å; Y377-F388 VanDerWaalsContact CE1-CG 3.42Å; Y377-F388 HydrophobicContact CE1-CZ 4.07Å; W380-F388 CarbonylContact O-C 3.57Å; W380-F388 VanDerWaalsContact O-CA 3.3Å; W380-F388 WeakPolarHBondContact O-CA 3.45Å; Y381-F388 AromaticContact CD2-CD1 3.92Å; Y381-F388 HydrophobicContact CD2-CD1 3.92Å; Y381-F388 AromaticContact CD2-CD2 3.89Å; Y381-F388 HydrophobicContact CD2-CD2 3.89Å; Y381-F388 AromaticContact CD2-CE1 3.93Å; Y381-F388 HydrophobicContact CD2-CE1 3.93Å; Y381-F388 AromaticContact CD2-CE2 3.85Å; Y381-F388 HydrophobicContact CD2-CE2 3.85Å; Y381-F388 AromaticContact CD2-CG 3.94Å; Y381-F388 HydrophobicContact CD2-CG 3.94Å; Y381-F388 AromaticContact CD2-CZ 3.89Å; Y381-F388 HydrophobicContact CD2-CZ 3.89Å; Y381-F388 HydrophobicContact CE2-CD2 4.43Å; Y381-F388 HydrophobicContact CE2-CE2 4.35Å; Y381-F388 HydrophobicContact CG-CD1 4.35Å; Y381-F388 HydrophobicContact CG-CE1 4.18Å; Y381-F388 HydrophobicContact CG-CZ 4.4Å; F388-L413 HydrophobicContact CE1-CB 4.34Å; F388-E415 HydrophobicContact CZ-CG 4.45Å; F388-E415 VanDerWaalsContact CZ-OE1 3.27Å; F388-E415 WeakPolarHBondContact CZ-OE1 3.2Å |
| 389 | Y | 84.6 | Confident | 85.2 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 2% | 0.02 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 140.5 | 178.3 | -78.3 | -73.5 | 0 | 0 | 0 | 110.3 | W380 C382 D385 C387 E393 L394 S403 V410 | W380-Y389 PolarHBondContact O-N 3.46Å; C382-Y389 HydrophobicContact CB-CD2 3.84Å; C382-Y389 HydrophobicContact CB-CE2 3.59Å; D385-Y389 HydrophobicContact CB-CE2 4.11Å; D385-Y389 VanDerWaalsContact OD2-CE2 3.28Å; D385-Y389 WeakPolarHBondContact OD2-CE2 3.25Å; D385-Y389 PolarHBondContact OD2-OH 3.02Å; C387-Y389 VanDerWaalsContact SG-CE2 3.57Å; Y389-E393 HydrophobicContact CD1-CB 3.59Å; Y389-E393 HydrophobicContact CD1-CG 4.23Å; Y389-E393 HydrophobicContact CE1-CB 4.38Å; Y389-E393 HydrophobicContact CG-CB 4.38Å; Y389-L394 HydrophobicContact CG-CD2 4.14Å; Y389-S403 PolarHBondContact OH-OG 2.88Å; Y389-V410 HydrophobicContact CD2-CG1 4.13Å |
| 390 | S | 83.2 | Confident | 85.1 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | trans | -73.9 | 163.5 | 169.1 | 80.4 | 0 | 0 | 0 | 0 | 110.8 | D392 E393 L394 | S390-D392 PolarHBondContact O-N 2.71Å; S390-D392 PolarHBondContact OG-N 2.98Å; S390-E393 PolarHBondContact N-OE2 2.93Å; S390-E393 PolarHBondContact O-N 3.39Å; S390-E393 VanDerWaalsContact O-N 3.09Å; S390-E393 PolarHBondContact OG-OE2 3.43Å; S390-L394 WeakPolarHBondContact O-CG 3.24Å | ||
| 391 | A | 83.7 | Confident | 85.1 | Confident | 75 Ų | 75 | 51.9 Ų | 51.9 | 62% | 0.62 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -58.8 | -31.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E393 L394 | A391-E393 VanDerWaalsContact C-N 3.27Å; A391-E393 PolarHBondContact O-N 3.41Å; A391-L394 PolarHBondContact O-N 3.25Å |
| 392 | D | 84.1 | Confident | 85.1 | Confident | 115 Ų | 115 | 53.2 Ų | 53.2 | 62% | 0.615 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -73.4 | -18.1 | 179.6 | -68.4 | -41.2 | 0 | 0 | 0 | 113.2 | S390 L394 K404 | S390-D392 PolarHBondContact O-N 2.71Å; S390-D392 PolarHBondContact OG-N 2.98Å; D392-L394 VanDerWaalsContact C-N 3.33Å; D392-K404 WeakPolarHBondContact O-CE 3.41Å; D392-K404 PolarHBondContact O-NZ 3.45Å |
| 393 | E | 83.9 | Confident | 84.8 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -88.7 | -0.1 | 177.2 | -65.9 | 177.1 | 99.5 | 0 | 0 | 113.2 | Y389 S390 A391 K404 I454 | Y389-E393 HydrophobicContact CD1-CB 3.59Å; Y389-E393 HydrophobicContact CD1-CG 4.23Å; Y389-E393 HydrophobicContact CE1-CB 4.38Å; Y389-E393 HydrophobicContact CG-CB 4.38Å; S390-E393 PolarHBondContact N-OE2 2.93Å; S390-E393 PolarHBondContact O-N 3.39Å; S390-E393 VanDerWaalsContact O-N 3.09Å; S390-E393 PolarHBondContact OG-OE2 3.43Å; A391-E393 VanDerWaalsContact C-N 3.27Å; A391-E393 PolarHBondContact O-N 3.41Å; E393-K404 VanDerWaalsContact O-CB 3.3Å; E393-K404 WeakPolarHBondContact O-CB 3.24Å; E393-K404 WeakPolarHBondContact O-CG 3.21Å; E393-K404 PolarHBondContact O-N 3.47Å; E393-I454 HydrophobicContact CG-CD1 3.88Å |
| 394 | L | 87.9 | Confident | 84.6 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 149.4 | -173 | -57.8 | 174.4 | 0 | 0 | 0 | 112.8 | W380 Y389 S390 A391 D392 K401 I402 K404 V410 | W380-L394 HydrophobicContact CB-CD1 3.54Å; W380-L394 HydrophobicContact CD2-CD1 3.94Å; W380-L394 HydrophobicContact CG-CD1 3.29Å; Y389-L394 HydrophobicContact CG-CD2 4.14Å; S390-L394 WeakPolarHBondContact O-CG 3.24Å; A391-L394 PolarHBondContact O-N 3.25Å; D392-L394 VanDerWaalsContact C-N 3.33Å; L394-K401 HydrophobicContact CD1-CD 4.3Å; L394-I402 WeakPolarHBondContact CA-O 3.44Å; L394-K404 WeakPolarHBondContact O-CE 3.42Å; L394-V410 HydrophobicContact CD1-CG2 3.99Å; L394-V410 HydrophobicContact CD2-CB 4.41Å; L394-V410 HydrophobicContact CD2-CG1 3.85Å; L394-V410 HydrophobicContact CD2-CG2 3.77Å; L394-V410 HydrophobicContact CG-CG2 4.49Å |
| 395 | C | 87.7 | Confident | 84.2 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 159.8 | 166.3 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | I402 K404 | C395-I402 PolarHBondContact N-O 2.8Å; C395-I402 WeakPolarHBondContact O-CG1 3.28Å; C395-I402 PolarHBondContact O-N 3.31Å; C395-K404 HydrophobicContact CB-CG 4.09Å |
| 396 | D | 87.5 | Confident | 83.9 | Confident | 122 Ų | 122 | 57.2 Ų | 57.2 | 65% | 0.652 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 139.4 | 176.8 | -59.7 | -43.6 | 0 | 0 | 0 | 110.1 | K401 | D396-K401 WeakPolarHBondContact OD1-CG 3.21Å; D396-K401 IonicContact OD1-NZ 3.55Å; D396-K401 PolarHBondContact OD1-NZ 2.92Å |
| 397 | S | 83.1 | Confident | 83.7 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 168.9 | 172.3 | 75.5 | 0 | 0 | 0 | 0 | 110 | S399 G400 I402 | S397-S399 PolarHBondContact O-N 3.2Å; S397-S399 VanDerWaalsContact O-N 3.14Å; S397-S399 PolarHBondContact OG-N 2.71Å; S397-S399 PolarHBondContact OG-OG 3.44Å; S397-S399 VanDerWaalsContact OG-OG 3.11Å; S397-G400 WeakPolarHBondContact CA-O 3.49Å; S397-G400 WeakPolarHBondContact CB-O 3.44Å; S397-G400 PolarHBondContact N-O 2.94Å; S397-G400 PolarHBondContact O-N 3.47Å; S397-G400 PolarHBondContact OG-N 2.94Å; S397-G400 PolarHBondContact OG-O 2.71Å; S397-I402 WeakPolarHBondContact OG-CG2 3.03Å |
| 398 | E | 80 | Confident | 83.8 | Confident | 211 Ų | 211 | 61.7 Ų | 61.7 | 99% | 0.986 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.7 | 175.6 | -65.5 | -177.2 | 172.4 | 0 | 0 | 112.9 | ||
| 399 | S | 79.8 | Confident | 84 | Confident | 110 Ų | 110 | 64.6 Ų | 64.6 | 77% | 0.769 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4.5 | 179.9 | 48.8 | 0 | 0 | 0 | 0 | 114.8 | S397 | S397-S399 PolarHBondContact O-N 3.2Å; S397-S399 VanDerWaalsContact O-N 3.14Å; S397-S399 PolarHBondContact OG-N 2.71Å; S397-S399 PolarHBondContact OG-OG 3.44Å; S397-S399 VanDerWaalsContact OG-OG 3.11Å |
| 400 | G | 86.7 | Confident | 84.3 | Confident | 36 Ų | 36 | 65 Ų | 65 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 116 | -161.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S397 | S397-G400 WeakPolarHBondContact CA-O 3.49Å; S397-G400 WeakPolarHBondContact CB-O 3.44Å; S397-G400 PolarHBondContact N-O 2.94Å; S397-G400 PolarHBondContact O-N 3.47Å; S397-G400 PolarHBondContact OG-N 2.94Å; S397-G400 PolarHBondContact OG-O 2.71Å |
| 401 | K | 89.9 | Confident | 84.7 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.6 | -178.5 | -72.4 | -168.5 | -179.4 | -62.5 | 0 | 112 | W380 L394 D396 P409 V410 | W380-K401 HydrophobicContact CD2-CD 4.15Å; W380-K401 HydrophobicContact CE3-CD 4.3Å; W380-K401 HydrophobicContact CH2-CD 3.78Å; W380-K401 HydrophobicContact CZ2-CD 3.59Å; W380-K401 HydrophobicContact CZ3-CD 4.12Å; L394-K401 HydrophobicContact CD1-CD 4.3Å; D396-K401 WeakPolarHBondContact OD1-CG 3.21Å; D396-K401 IonicContact OD1-NZ 3.55Å; D396-K401 PolarHBondContact OD1-NZ 2.92Å; K401-P409 WeakPolarHBondContact O-CA 3.41Å; K401-V410 HydrophobicContact CB-CG2 3.6Å; K401-V410 WeakPolarHBondContact O-CG2 3.24Å; K401-V410 PolarHBondContact O-N 3.39Å |
| 402 | I | 89.2 | Confident | 85.1 | Confident | 33 Ų | 33 | 69.8 Ų | 69.8 | 17% | 0.169 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.6 | 176.5 | 60.3 | 167.5 | 0 | 0 | 0 | 111.1 | L394 C395 S397 H408 | L394-I402 WeakPolarHBondContact CA-O 3.44Å; C395-I402 PolarHBondContact N-O 2.8Å; C395-I402 WeakPolarHBondContact O-CG1 3.28Å; C395-I402 PolarHBondContact O-N 3.31Å; S397-I402 WeakPolarHBondContact OG-CG2 3.03Å; I402-H408 CarbonylContact C-O 3.54Å; I402-H408 WeakPolarHBondContact CA-O 3.17Å; I402-H408 WeakPolarHBondContact CB-O 3.22Å |
| 403 | S | 83.7 | Confident | 85.4 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 131.2 | 170.6 | 167 | 0 | 0 | 0 | 0 | 111 | Y389 Q405 S406 G407 H408 | Y389-S403 PolarHBondContact OH-OG 2.88Å; S403-Q405 PolarHBondContact O-N 2.91Å; S403-Q405 PolarHBondContact OG-N 2.92Å; S403-S406 WeakPolarHBondContact CB-OG 3.17Å; S403-S406 PolarHBondContact OG-N 2.97Å; S403-S406 PolarHBondContact OG-OG 3.4Å; S403-G407 WeakPolarHBondContact O-CA 3.29Å; S403-G407 PolarHBondContact O-N 2.94Å; S403-H408 PolarHBondContact N-O 3Å |
| 404 | K | 81.6 | Confident | 85.7 | Confident | 128 Ų | 128 | 69.5 Ų | 69.5 | 56% | 0.557 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.1 | 172 | -72.1 | 176.5 | -177.4 | 171.1 | 0 | 112.2 | D392 E393 L394 C395 | D392-K404 WeakPolarHBondContact O-CE 3.41Å; D392-K404 PolarHBondContact O-NZ 3.45Å; E393-K404 VanDerWaalsContact O-CB 3.3Å; E393-K404 WeakPolarHBondContact O-CB 3.24Å; E393-K404 WeakPolarHBondContact O-CG 3.21Å; E393-K404 PolarHBondContact O-N 3.47Å; L394-K404 WeakPolarHBondContact O-CE 3.42Å; C395-K404 HydrophobicContact CB-CG 4.09Å |
| 405 | Q | 74.1 | Confident | 85.7 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -51.1 | -174 | -173.2 | -172.3 | 2.1 | 0 | 0 | 111.8 | S403 D514 | S403-Q405 PolarHBondContact O-N 2.91Å; S403-Q405 PolarHBondContact OG-N 2.92Å; Q405-D514 PolarHBondContact NE2-O 3.45Å; Q405-D514 VanDerWaalsContact NE2-O 3.09Å |
| 406 | S | 75.7 | Confident | 86 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 17% | 0.168 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -21.8 | -172.8 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | D385 S403 H408 | D385-S406 WeakPolarHBondContact OD1-CB 3.26Å; D385-S406 PolarHBondContact OD1-OG 3.46Å; D385-S406 WeakPolarHBondContact OD2-CB 3.46Å; D385-S406 PolarHBondContact OD2-OG 3.4Å; S403-S406 WeakPolarHBondContact CB-OG 3.17Å; S403-S406 PolarHBondContact OG-N 2.97Å; S403-S406 PolarHBondContact OG-OG 3.4Å; S406-H408 WeakPolarHBondContact CB-ND1 3.27Å; S406-H408 PolarHBondContact O-N 2.91Å; S406-H408 WeakPolarHBondContact OG-CB 3.39Å; S406-H408 PolarHBondContact OG-N 3.42Å; S406-H408 PolarHBondContact OG-ND1 2.99Å |
| 407 | G | 81.9 | Confident | 86.3 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 42% | 0.423 | 36% | 0.362 | S | S | . | . | trans | 75.5 | 6.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S403 | S403-G407 WeakPolarHBondContact O-CA 3.29Å; S403-G407 PolarHBondContact O-N 2.94Å | ||
| 408 | H | 85.9 | Confident | 87 | Confident | 64 Ų | 64 | 65.3 Ų | 65.3 | 30% | 0.296 | 36% | 0.359 | S | S | . | . | trans | -83.4 | 146.9 | -176.5 | -62.3 | 150.6 | 0 | 0 | 0 | 112.6 | C382 S384 D385 I402 S403 S406 | C382-H408 WeakPolarHBondContact SG-CB 3.32Å; S384-H408 VanDerWaalsContact CB-CG 3.49Å; S384-H408 WeakPolarHBondContact CB-ND1 3.22Å; D385-H408 IonicContact OD1-CE1 2.83Å; D385-H408 IonicContact OD1-CG 3.52Å; D385-H408 IonicContact OD1-ND1 2.77Å; D385-H408 PolarHBondContact OD1-ND1 2.94Å; D385-H408 IonicContact OD2-ND1 2.64Å; I402-H408 CarbonylContact C-O 3.54Å; I402-H408 WeakPolarHBondContact CA-O 3.17Å; I402-H408 WeakPolarHBondContact CB-O 3.22Å; S403-H408 PolarHBondContact N-O 3Å; S406-H408 WeakPolarHBondContact CB-ND1 3.27Å; S406-H408 PolarHBondContact O-N 2.91Å; S406-H408 WeakPolarHBondContact OG-CB 3.39Å; S406-H408 PolarHBondContact OG-N 3.42Å; S406-H408 PolarHBondContact OG-ND1 2.99Å | ||
| 409 | P | 89.7 | Confident | 87.7 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -67.2 | 147.6 | 179.1 | 28.5 | -35.2 | 0 | 0 | 0 | 112.4 | K401 | K401-P409 WeakPolarHBondContact O-CA 3.41Å |
| 410 | V | 91.8 | Very high | 88.6 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | trans | -122.9 | 148.9 | 178.8 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | W380 Y381 C382 Y389 L394 K401 | W380-V410 HydrophobicContact CB-CB 4.15Å; W380-V410 HydrophobicContact CB-CG2 3.99Å; W380-V410 HydrophobicContact CD2-CG2 4.19Å; W380-V410 HydrophobicContact CE3-CB 4.46Å; W380-V410 HydrophobicContact CE3-CG2 3.77Å; W380-V410 HydrophobicContact CG-CG2 4.31Å; Y381-V410 CarbonylContact O-C 3.5Å; Y381-V410 VanDerWaalsContact O-CA 3.24Å; Y381-V410 WeakPolarHBondContact O-CA 3.4Å; C382-V410 HydrophobicContact CB-CG1 3.86Å; Y389-V410 HydrophobicContact CD2-CG1 4.13Å; L394-V410 HydrophobicContact CD1-CG2 3.99Å; L394-V410 HydrophobicContact CD2-CB 4.41Å; L394-V410 HydrophobicContact CD2-CG1 3.85Å; L394-V410 HydrophobicContact CD2-CG2 3.77Å; L394-V410 HydrophobicContact CG-CG2 4.49Å; K401-V410 HydrophobicContact CB-CG2 3.6Å; K401-V410 WeakPolarHBondContact O-CG2 3.24Å; K401-V410 PolarHBondContact O-N 3.39Å | ||
| 411 | T | 91.6 | Very high | 89.1 | Confident | 74 Ų | 74 | 53 Ų | 53 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135 | 177.7 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | Y381 L413 | Y381-T411 PolarHBondContact N-O 2.8Å; Y381-T411 PolarHBondContact O-N 2.73Å; T411-L413 PolarHBondContact O-N 3.06Å |
| 412 | W | 92.1 | Very high | 89.5 | Confident | 141 Ų | 141 | 49.6 Ų | 49.6 | 53% | 0.534 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 128.1 | 174.7 | -173.9 | -94.5 | 0 | 0 | 0 | 110.6 | W380 | W380-W412 AromaticContact CD1-CE3 3.68Å; W380-W412 AromaticContact CD1-CZ3 3.66Å; W380-W412 HydrophobicContact CD2-CB 4.45Å; W380-W412 AromaticContact CD2-CE3 3.74Å; W380-W412 HydrophobicContact CD2-CE3 3.74Å; W380-W412 HydrophobicContact CD2-CZ3 4.47Å; W380-W412 AromaticContact CE2-CE3 3.51Å; W380-W412 HydrophobicContact CE3-CB 4.03Å; W380-W412 HydrophobicContact CE3-CE3 4.45Å; W380-W412 AromaticContact CG-CE3 3.83Å; W380-W412 HydrophobicContact CG-CE3 3.83Å; W380-W412 HydrophobicContact CG-CZ3 4.23Å; W380-W412 HydrophobicContact CH2-CB 4.17Å; W380-W412 HydrophobicContact CZ2-CE3 4.03Å; W380-W412 HydrophobicContact CZ3-CB 3.89Å; W380-W412 AromaticContact NE1-CE3 3.48Å; W380-W412 AromaticContact NE1-CZ3 3.52Å |
| 413 | L | 88.8 | Confident | 89.8 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 27% | 0.267 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.3 | 178.9 | -63 | 173.6 | 0 | 0 | 0 | 109.7 | S378 G379 Y381 F388 T411 | S378-L413 CarbonylContact C-O 3.52Å; S378-L413 VanDerWaalsContact CA-O 3.23Å; S378-L413 WeakPolarHBondContact CA-O 3.5Å; G379-L413 PolarHBondContact N-O 3.38Å; G379-L413 PolarHBondContact O-N 3.46Å; Y381-L413 HydrophobicContact CD1-CD1 3.78Å; Y381-L413 HydrophobicContact CG-CD1 3.88Å; F388-L413 HydrophobicContact CE1-CB 4.34Å; T411-L413 PolarHBondContact O-N 3.06Å |
| 414 | S | 90 | Very high | 90.5 | Very high | 84 Ų | 84 | 59 Ų | 59 | 59% | 0.587 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 121 | 174.3 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | Y377 S378 | Y377-S414 WeakPolarHBondContact O-CA 3.24Å; S378-S414 WeakPolarHBondContact OG-CB 3.34Å; S378-S414 PolarHBondContact OG-OG 3.34Å |
| 415 | E | 88.9 | Confident | 91.3 | Very high | 21 Ų | 21 | 54 Ų | 54 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 150.3 | -176.4 | 47.8 | -179.4 | -169.6 | 0 | 0 | 111.4 | Y377 F388 N417 R466 | Y377-E415 PolarHBondContact N-O 3.45Å; Y377-E415 PolarHBondContact O-N 2.62Å; F388-E415 HydrophobicContact CZ-CG 4.45Å; F388-E415 VanDerWaalsContact CZ-OE1 3.27Å; F388-E415 WeakPolarHBondContact CZ-OE1 3.2Å; E415-N417 VanDerWaalsContact CG-ND2 3.27Å; E415-N417 WeakPolarHBondContact CG-ND2 3.3Å; E415-N417 PolarHBondContact OE1-ND2 2.94Å; E415-R466 IonicContact OE1-CZ 3.19Å; E415-R466 IonicContact OE1-NH1 2.95Å; E415-R466 PolarHBondContact OE1-NH1 3.09Å; E415-R466 IonicContact OE1-NH2 3.3Å; E415-R466 PolarHBondContact OE1-NH2 3.36Å; E415-R466 IonicContact OE2-CZ 3.18Å; E415-R466 IonicContact OE2-NE 3.74Å; E415-R466 IonicContact OE2-NH1 2.91Å; E415-R466 PolarHBondContact OE2-NH1 2.66Å; E415-R466 IonicContact OE2-NH2 3.2Å |
| 416 | T | 92.9 | Very high | 92.5 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 110.9 | 171.1 | -52 | 0 | 0 | 0 | 0 | 108.7 | K374 G375 N376 Q479 | K374-T416 HydrophobicContact CD-CG2 4.4Å; K374-T416 HydrophobicContact CG-CG2 3.9Å; G375-T416 WeakPolarHBondContact O-CA 3.42Å; N376-T416 WeakPolarHBondContact OD1-CB 3.3Å; N376-T416 PolarHBondContact OD1-OG1 3.43Å; T416-Q479 PolarHBondContact O-NE2 3.23Å |
| 417 | N | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 169.3 | -177.5 | -67.3 | -15 | 0 | 0 | 0 | 111.3 | K374 G375 E415 S459 S461 Q479 | K374-N417 WeakPolarHBondContact CA-O 3.5Å; G375-N417 PolarHBondContact N-O 3.48Å; G375-N417 PolarHBondContact O-N 2.9Å; G375-N417 VanDerWaalsContact O-O 3.13Å; E415-N417 VanDerWaalsContact CG-ND2 3.27Å; E415-N417 WeakPolarHBondContact CG-ND2 3.3Å; E415-N417 PolarHBondContact OE1-ND2 2.94Å; N417-S459 WeakPolarHBondContact CB-OG 3.44Å; N417-S459 PolarHBondContact ND2-OG 2.85Å; N417-S461 WeakPolarHBondContact CB-O 3.07Å; N417-S461 PolarHBondContact ND2-O 2.85Å; N417-Q479 PolarHBondContact OD1-OE1 3.41Å |
| 418 | Y | 97 | Very high | 94.3 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.4 | 160.9 | -70.5 | -90.7 | 0 | 0 | 0 | 109.7 | W363 Y373 V460 S461 V473 D476 Q479 | W363-Y418 HydrophobicContact CH2-CD2 4.27Å; W363-Y418 AromaticContact CH2-CG 3.93Å; W363-Y418 HydrophobicContact CH2-CG 3.93Å; W363-Y418 AromaticContact CZ2-CD1 3.98Å; W363-Y418 HydrophobicContact CZ2-CD1 3.98Å; W363-Y418 AromaticContact CZ2-CD2 3.98Å; W363-Y418 HydrophobicContact CZ2-CD2 3.98Å; W363-Y418 AromaticContact CZ2-CG 3.68Å; W363-Y418 HydrophobicContact CZ2-CG 3.68Å; Y373-Y418 CarbonylContact O-C 3.5Å; Y373-Y418 WeakPolarHBondContact O-CA 3.41Å; Y418-V460 PolarHBondContact O-N 3.07Å; Y418-S461 PolarHBondContact N-OG 3.38Å; Y418-S461 PolarHBondContact O-N 3.44Å; Y418-V473 HydrophobicContact CD2-CG1 4.24Å; Y418-V473 HydrophobicContact CD2-CG2 4.41Å; Y418-V473 HydrophobicContact CE2-CG1 3.83Å; Y418-D476 HydrophobicContact CE2-CB 4.25Å; Y418-D476 WeakPolarHBondContact CE2-OD2 3.41Å; Y418-D476 PolarHBondContact OH-OD2 2.84Å; Y418-Q479 HydrophobicContact CD2-CB 4.47Å; Y418-Q479 HydrophobicContact CD2-CG 4.26Å; Y418-Q479 HydrophobicContact CE2-CB 4.42Å; Y418-Q479 HydrophobicContact CE2-CG 4.12Å |
| 419 | M | 96.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.3 | 179.1 | -56.9 | -55.2 | -65 | 0 | 0 | 109 | L372 Y373 Y377 I458 S459 | L372-M419 VanDerWaalsContact CA-O 3.32Å; L372-M419 WeakPolarHBondContact CA-O 3.36Å; Y373-M419 HydrophobicContact CD1-CB 3.98Å; Y373-M419 HydrophobicContact CD2-CB 4.01Å; Y373-M419 HydrophobicContact CD2-CG 4.33Å; Y373-M419 HydrophobicContact CE1-CB 3.55Å; Y373-M419 HydrophobicContact CE2-CB 3.58Å; Y373-M419 HydrophobicContact CE2-CG 3.79Å; Y373-M419 HydrophobicContact CG-CB 4.21Å; Y373-M419 PolarHBondContact N-O 3.16Å; Y373-M419 PolarHBondContact O-N 3.3Å; Y377-M419 HydrophobicContact CD2-CE 3.34Å; Y377-M419 HydrophobicContact CD2-SD 4.09Å; Y377-M419 HydrophobicContact CE2-CE 3.9Å; Y377-M419 HydrophobicContact CG-CE 3.97Å; Y377-M419 HydrophobicContact CG-SD 4.15Å; M419-I458 CarbonylContact C-O 3.56Å; M419-I458 WeakPolarHBondContact CA-O 2.85Å; M419-S459 VanDerWaalsContact SD-CA 3.59Å |
| 420 | F | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.1 | 170.8 | 174.5 | -108.7 | 0 | 0 | 0 | 109.7 | L366 C371 L372 L422 F425 D457 I458 V460 A525 F526 A529 | L366-F420 HydrophobicContact CD2-CE2 4.34Å; C371-F420 HydrophobicContact CB-CD2 4.15Å; C371-F420 HydrophobicContact CB-CE2 3.91Å; C371-F420 WeakPolarHBondContact O-CA 3.2Å; L372-F420 HydrophobicContact CD2-CB 4.12Å; L372-F420 HydrophobicContact CD2-CD2 4.07Å; F420-L422 HydrophobicContact CD1-CB 3.86Å; F420-L422 HydrophobicContact CD1-CD1 4.37Å; F420-L422 HydrophobicContact CE1-CB 4.09Å; F420-L422 HydrophobicContact CE1-CD1 3.95Å; F420-L422 PolarHBondContact O-N 3.49Å; F420-F425 HydrophobicContact CE1-CD2 4.13Å; F420-F425 HydrophobicContact CE1-CE2 4.47Å; F420-F425 HydrophobicContact CE2-CD2 4.47Å; F420-F425 HydrophobicContact CE2-CE2 4.04Å; F420-F425 AromaticContact CZ-CD2 3.66Å; F420-F425 HydrophobicContact CZ-CD2 3.66Å; F420-F425 AromaticContact CZ-CE2 3.67Å; F420-F425 HydrophobicContact CZ-CE2 3.67Å; F420-D457 WeakPolarHBondContact O-CA 3.42Å; F420-D457 WeakPolarHBondContact O-CB 3.41Å; F420-I458 HydrophobicContact CB-CG1 4.11Å; F420-I458 HydrophobicContact CD1-CD1 4.32Å; F420-I458 HydrophobicContact CD1-CG1 4.08Å; F420-I458 PolarHBondContact N-O 2.82Å; F420-I458 PolarHBondContact O-N 3.15Å; F420-V460 HydrophobicContact CB-CB 4.34Å; F420-V460 HydrophobicContact CB-CG1 3.5Å; F420-V460 HydrophobicContact CB-CG2 3.87Å; F420-V460 HydrophobicContact CG-CG1 4.4Å; F420-A525 HydrophobicContact CE1-CB 4.02Å; F420-A525 HydrophobicContact CZ-CB 4.39Å; F420-F526 AromaticContact CD1-CD1 3.92Å; F420-F526 HydrophobicContact CD1-CD1 3.92Å; F420-F526 AromaticContact CD1-CE1 3.57Å; F420-F526 HydrophobicContact CD1-CE1 3.57Å; F420-F526 HydrophobicContact CD2-CD1 4.35Å; F420-F526 HydrophobicContact CD2-CE1 4.42Å; F420-F526 AromaticContact CE1-CD1 3.64Å; F420-F526 HydrophobicContact CE1-CD1 3.64Å; F420-F526 AromaticContact CE1-CE1 3.76Å; F420-F526 HydrophobicContact CE1-CE1 3.76Å; F420-F526 HydrophobicContact CE2-CD1 4.11Å; F420-F526 HydrophobicContact CG-CD1 4.27Å; F420-F526 AromaticContact CG-CE1 3.93Å; F420-F526 HydrophobicContact CG-CE1 3.93Å; F420-F526 AromaticContact CZ-CD1 3.75Å; F420-F526 HydrophobicContact CZ-CD1 3.75Å; F420-F526 HydrophobicContact CZ-CE1 4.28Å; F420-A529 HydrophobicContact CE2-CB 3.53Å; F420-A529 HydrophobicContact CZ-CB 3.69Å |
| 421 | R | 97.8 | Very high | 95.6 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 35% | 0.351 | 28% | 0.281 | S | S | . | . | trans | -70.7 | 56.1 | 178.7 | -64.2 | -175.4 | -171.4 | -71.1 | -0.1 | 112.7 | G370 C371 Y373 K423 Q424 F425 D457 | G370-R421 WeakPolarHBondContact O-CD 3.43Å; G370-R421 PolarHBondContact O-NE 3.41Å; C371-R421 WeakPolarHBondContact O-CG 3.31Å; C371-R421 PolarHBondContact O-N 3.37Å; Y373-R421 HydrophobicContact CD1-CG 3.81Å; Y373-R421 HydrophobicContact CE1-CG 3.77Å; R421-K423 PolarHBondContact O-N 3.39Å; R421-Q424 HydrophobicContact CB-CB 4.43Å; R421-Q424 WeakPolarHBondContact O-CB 3.06Å; R421-Q424 PolarHBondContact O-N 2.94Å; R421-F425 VanDerWaalsContact O-CD2 3.25Å; R421-F425 WeakPolarHBondContact O-CD2 2.99Å; R421-F425 WeakPolarHBondContact O-CE2 3.48Å; R421-D457 VanDerWaalsContact C-OD1 3.28Å; R421-D457 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 422 | L | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -54.7 | -42 | -176.5 | -179.6 | 59.9 | 0 | 0 | 0 | 111.5 | F420 Q424 F425 L426 L455 D457 I458 F522 A525 | F420-L422 HydrophobicContact CD1-CB 3.86Å; F420-L422 HydrophobicContact CD1-CD1 4.37Å; F420-L422 HydrophobicContact CE1-CB 4.09Å; F420-L422 HydrophobicContact CE1-CD1 3.95Å; F420-L422 PolarHBondContact O-N 3.49Å; L422-Q424 PolarHBondContact O-N 3.49Å; L422-Q424 VanDerWaalsContact O-N 3.1Å; L422-F425 PolarHBondContact O-N 2.77Å; L422-L426 HydrophobicContact CD1-CD2 3.77Å; L422-L426 HydrophobicContact CD2-CD2 4.16Å; L422-L426 HydrophobicContact CG-CD2 3.66Å; L422-L426 HydrophobicContact CG-CG 4.13Å; L422-L426 WeakPolarHBondContact O-CG 3.48Å; L422-L426 PolarHBondContact O-N 2.96Å; L422-L455 HydrophobicContact CD2-CB 4.24Å; L422-L455 HydrophobicContact CD2-CD1 4.38Å; L422-D457 PolarHBondContact N-OD1 2.8Å; L422-D457 VanDerWaalsContact N-OD1 3.1Å; L422-I458 HydrophobicContact CB-CG1 4.26Å; L422-I458 HydrophobicContact CD2-CD1 4.33Å; L422-I458 HydrophobicContact CD2-CG1 4.32Å; L422-I458 HydrophobicContact CD2-CG2 3.63Å; L422-F522 HydrophobicContact CD1-CD1 4.49Å; L422-F522 HydrophobicContact CD2-CD1 3.97Å; L422-F522 HydrophobicContact CD2-CE1 3.73Å; L422-A525 HydrophobicContact CD1-CB 3.37Å |
| 423 | K | 96.7 | Very high | 96.1 | Very high | 110 Ų | 110 | 46 Ų | 46 | 48% | 0.478 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -56.4 | -32 | -175.6 | -164.7 | 173 | -161.5 | 148.6 | 0 | 113.1 | R421 F425 E456 D457 | R421-K423 PolarHBondContact O-N 3.39Å; K423-F425 PolarHBondContact O-N 3.47Å; K423-E456 VanDerWaalsContact NZ-CD 3.3Å; K423-E456 IonicContact NZ-OE1 3.65Å; K423-E456 PolarHBondContact NZ-OE1 2.91Å; K423-E456 IonicContact NZ-OE2 3.75Å; K423-E456 PolarHBondContact NZ-OE2 3.06Å; K423-D457 WeakPolarHBondContact CB-OD1 3.42Å; K423-D457 PolarHBondContact N-OD1 2.77Å; K423-D457 VanDerWaalsContact N-OD1 3.11Å |
| 424 | Q | 97.7 | Very high | 96.5 | Very high | 122 Ų | 122 | 49.1 Ų | 49.1 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -61.6 | -31.1 | 176.7 | -177.8 | -179.7 | -16.8 | 0 | 0 | 112.6 | R421 L422 | R421-Q424 HydrophobicContact CB-CB 4.43Å; R421-Q424 WeakPolarHBondContact O-CB 3.06Å; R421-Q424 PolarHBondContact O-N 2.94Å; L422-Q424 PolarHBondContact O-N 3.49Å; L422-Q424 VanDerWaalsContact O-N 3.1Å |
| 425 | F | 98.4 | Very high | 96.6 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -18.3 | -173 | -57.5 | -78.7 | 0 | 0 | 0 | 113.4 | F420 R421 L422 K423 P427 T428 V429 A525 L528 A529 | F420-F425 HydrophobicContact CE1-CD2 4.13Å; F420-F425 HydrophobicContact CE1-CE2 4.47Å; F420-F425 HydrophobicContact CE2-CD2 4.47Å; F420-F425 HydrophobicContact CE2-CE2 4.04Å; F420-F425 AromaticContact CZ-CD2 3.66Å; F420-F425 HydrophobicContact CZ-CD2 3.66Å; F420-F425 AromaticContact CZ-CE2 3.67Å; F420-F425 HydrophobicContact CZ-CE2 3.67Å; R421-F425 VanDerWaalsContact O-CD2 3.25Å; R421-F425 WeakPolarHBondContact O-CD2 2.99Å; R421-F425 WeakPolarHBondContact O-CE2 3.48Å; L422-F425 PolarHBondContact O-N 2.77Å; K423-F425 PolarHBondContact O-N 3.47Å; F425-P427 VanDerWaalsContact C-CD 3.49Å; F425-T428 PolarHBondContact O-N 3.05Å; F425-T428 VanDerWaalsContact O-N 3.13Å; F425-V429 WeakPolarHBondContact O-CG2 3Å; F425-V429 PolarHBondContact O-N 3.04Å; F425-A525 HydrophobicContact CB-CB 3.9Å; F425-L528 HydrophobicContact CB-CD1 4.47Å; F425-L528 HydrophobicContact CD1-CB 3.71Å; F425-L528 HydrophobicContact CE1-CB 4.22Å; F425-A529 HydrophobicContact CD2-CB 4.48Å; F425-A529 HydrophobicContact CE1-CB 3.91Å; F425-A529 HydrophobicContact CE2-CB 3.75Å; F425-A529 HydrophobicContact CZ-CB 3.42Å; F425-A529 VanDerWaalsContact CZ-CB 3.42Å |
| 426 | L | 98.3 | Very high | 96.8 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.6 | -41.8 | -177.6 | -62.9 | -176.6 | 0 | 0 | 0 | 114 | L422 T428 V429 K430 I452 L455 I521 | L422-L426 HydrophobicContact CD1-CD2 3.77Å; L422-L426 HydrophobicContact CD2-CD2 4.16Å; L422-L426 HydrophobicContact CG-CD2 3.66Å; L422-L426 HydrophobicContact CG-CG 4.13Å; L422-L426 WeakPolarHBondContact O-CG 3.48Å; L422-L426 PolarHBondContact O-N 2.96Å; L426-T428 PolarHBondContact O-N 3.37Å; L426-V429 PolarHBondContact O-N 2.78Å; L426-K430 WeakPolarHBondContact O-CB 3.21Å; L426-K430 PolarHBondContact O-N 2.92Å; L426-I452 HydrophobicContact CB-CG1 4.14Å; L426-I452 HydrophobicContact CD2-CD1 4.37Å; L426-I452 HydrophobicContact CD2-CG1 3.8Å; L426-I452 HydrophobicContact CG-CG1 4.39Å; L426-I452 WeakPolarHBondContact O-CD1 3.46Å; L426-L455 HydrophobicContact CD1-CB 3.87Å; L426-L455 WeakPolarHBondContact CD1-O 3.24Å; L426-I521 HydrophobicContact CD2-CG2 3.88Å |
| 427 | P | 98 | Very high | 96.7 | Very high | 90 Ų | 90 | 50.3 Ų | 50.3 | 58% | 0.584 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 177.4 | -25.1 | 35.8 | 0 | 0 | 0 | 113.4 | F425 K430 S431 | F425-P427 VanDerWaalsContact C-CD 3.49Å; P427-K430 PolarHBondContact O-N 3.44Å; P427-S431 PolarHBondContact O-N 3.31Å |
| 428 | T | 98.2 | Very high | 96.8 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 47% | 0.466 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 178.1 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | F425 L426 K430 S431 W432 L528 | F425-T428 PolarHBondContact O-N 3.05Å; F425-T428 VanDerWaalsContact O-N 3.13Å; L426-T428 PolarHBondContact O-N 3.37Å; T428-K430 VanDerWaalsContact C-N 3.34Å; T428-K430 PolarHBondContact O-N 3.03Å; T428-S431 PolarHBondContact O-N 3.31Å; T428-W432 WeakPolarHBondContact O-CB 3.17Å; T428-W432 PolarHBondContact O-N 3.49Å; T428-L528 HydrophobicContact CG2-CD1 3.77Å; T428-L528 HydrophobicContact CG2-CD2 4.17Å |
| 429 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 175.5 | 175 | 0 | 0 | 0 | 0 | 110.8 | F425 L426 W432 L433 I452 P524 A525 L528 | F425-V429 WeakPolarHBondContact O-CG2 3Å; F425-V429 PolarHBondContact O-N 3.04Å; L426-V429 PolarHBondContact O-N 2.78Å; V429-W432 HydrophobicContact CG1-CE3 4.39Å; V429-W432 PolarHBondContact O-N 2.88Å; V429-L433 HydrophobicContact CG1-CD1 4.05Å; V429-L433 HydrophobicContact CG1-CG 4.33Å; V429-L433 WeakPolarHBondContact O-CB 3.39Å; V429-L433 WeakPolarHBondContact O-CG 3.4Å; V429-L433 PolarHBondContact O-N 3.01Å; V429-I452 HydrophobicContact CB-CD1 4.04Å; V429-I452 HydrophobicContact CG1-CD1 3.8Å; V429-P524 HydrophobicContact CG1-CB 4.33Å; V429-P524 HydrophobicContact CG2-CB 4.03Å; V429-A525 HydrophobicContact CG2-CB 4.26Å; V429-L528 HydrophobicContact CG2-CD1 3.74Å |
| 430 | K | 98.2 | Very high | 96.5 | Very high | 53 Ų | 53 | 51 Ų | 51 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.3 | -49 | 176.5 | -166 | 173.1 | -170.7 | 169.5 | 0 | 111.5 | L426 P427 T428 W432 L433 Q434 L449 I452 D453 | L426-K430 WeakPolarHBondContact O-CB 3.21Å; L426-K430 PolarHBondContact O-N 2.92Å; P427-K430 PolarHBondContact O-N 3.44Å; T428-K430 VanDerWaalsContact C-N 3.34Å; T428-K430 PolarHBondContact O-N 3.03Å; K430-W432 VanDerWaalsContact C-N 3.33Å; K430-W432 PolarHBondContact O-N 2.89Å; K430-L433 PolarHBondContact O-N 3.14Å; K430-Q434 WeakPolarHBondContact O-CG 3.26Å; K430-Q434 PolarHBondContact O-N 2.99Å; K430-L449 HydrophobicContact CG-CD2 4.1Å; K430-I452 HydrophobicContact CB-CD1 3.82Å; K430-I452 HydrophobicContact CB-CG2 4.4Å; K430-I452 HydrophobicContact CD-CG2 3.85Å; K430-I452 HydrophobicContact CG-CD1 4.49Å; K430-I452 HydrophobicContact CG-CG2 4.04Å; K430-D453 IonicContact NZ-OD1 2.7Å; K430-D453 PolarHBondContact NZ-OD1 2.98Å; K430-D453 IonicContact NZ-OD2 3.75Å; K430-D453 PolarHBondContact NZ-OD2 3.47Å |
| 431 | S | 97.8 | Very high | 96.1 | Very high | 71 Ų | 71 | 52.5 Ų | 52.5 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 177.6 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | P427 T428 Q434 S435 | P427-S431 PolarHBondContact O-N 3.31Å; T428-S431 PolarHBondContact O-N 3.31Å; S431-Q434 PolarHBondContact O-N 2.92Å; S431-S435 WeakPolarHBondContact O-CB 3.21Å; S431-S435 PolarHBondContact O-N 3.48Å; S431-S435 PolarHBondContact O-OG 3.02Å |
| 432 | W | 97.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -47 | 176.3 | 168.4 | 74.7 | 0 | 0 | 0 | 112.3 | T428 V429 K430 Q434 S435 S436 V438 P524 L534 P535 | T428-W432 WeakPolarHBondContact O-CB 3.17Å; T428-W432 PolarHBondContact O-N 3.49Å; V429-W432 HydrophobicContact CG1-CE3 4.39Å; V429-W432 PolarHBondContact O-N 2.88Å; K430-W432 VanDerWaalsContact C-N 3.33Å; K430-W432 PolarHBondContact O-N 2.89Å; W432-Q434 VanDerWaalsContact C-N 3.29Å; W432-Q434 PolarHBondContact O-N 3.23Å; W432-S435 PolarHBondContact O-N 3.45Å; W432-S436 WeakPolarHBondContact O-CB 3.46Å; W432-S436 PolarHBondContact O-N 3.31Å; W432-S436 PolarHBondContact O-OG 2.96Å; W432-V438 HydrophobicContact CD2-CG1 4.28Å; W432-V438 HydrophobicContact CE3-CG1 4.28Å; W432-V438 HydrophobicContact CH2-CB 4.3Å; W432-V438 HydrophobicContact CH2-CG1 3.76Å; W432-V438 HydrophobicContact CH2-CG2 3.81Å; W432-V438 HydrophobicContact CZ2-CB 3.91Å; W432-V438 HydrophobicContact CZ2-CG1 3.77Å; W432-V438 HydrophobicContact CZ2-CG2 3.48Å; W432-V438 VanDerWaalsContact CZ2-CG2 3.48Å; W432-V438 HydrophobicContact CZ3-CG1 4Å; W432-P524 HydrophobicContact CE3-CB 4.29Å; W432-P524 HydrophobicContact CE3-CG 4.28Å; W432-P524 HydrophobicContact CH2-CB 4.28Å; W432-P524 HydrophobicContact CH2-CG 3.59Å; W432-P524 HydrophobicContact CZ3-CB 3.89Å; W432-P524 HydrophobicContact CZ3-CG 3.41Å; W432-P524 VanDerWaalsContact CZ3-CG 3.41Å; W432-L534 HydrophobicContact CB-CD1 4.2Å; W432-L534 HydrophobicContact CD2-CD1 3.64Å; W432-L534 HydrophobicContact CE3-CD1 4.27Å; W432-L534 HydrophobicContact CG-CD1 3.61Å; W432-L534 HydrophobicContact CZ2-CB 3.99Å; W432-L534 HydrophobicContact CZ2-CD1 4.35Å; W432-P535 WeakPolarHBondContact CZ2-O 3.28Å |
| 433 | L | 97.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.8 | -41.2 | 177.2 | -76.1 | 172.2 | 0 | 0 | 0 | 112.2 | V429 K430 V438 I439 L445 L448 L449 I452 | V429-L433 HydrophobicContact CG1-CD1 4.05Å; V429-L433 HydrophobicContact CG1-CG 4.33Å; V429-L433 WeakPolarHBondContact O-CB 3.39Å; V429-L433 WeakPolarHBondContact O-CG 3.4Å; V429-L433 PolarHBondContact O-N 3.01Å; K430-L433 PolarHBondContact O-N 3.14Å; L433-V438 HydrophobicContact CD2-CG1 3.99Å; L433-I439 HydrophobicContact CD2-CD1 3.81Å; L433-I439 HydrophobicContact CD2-CG1 3.66Å; L433-L445 HydrophobicContact CB-CD1 3.87Å; L433-L445 HydrophobicContact CD2-CD1 4.43Å; L433-L448 HydrophobicContact CD1-CB 4.06Å; L433-L448 HydrophobicContact CD1-CD1 4.47Å; L433-L448 HydrophobicContact CD2-CD1 3.93Å; L433-L449 HydrophobicContact CB-CD2 4.35Å; L433-I452 HydrophobicContact CD1-CD1 4.23Å |
| 434 | Q | 95.8 | Very high | 95 | Very high | 117 Ų | 117 | 56.1 Ų | 56.1 | 55% | 0.547 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -77 | -30.3 | -177.1 | -69.3 | 177.7 | -48.4 | 0 | 0 | 113.9 | K430 S431 W432 L449 | K430-Q434 WeakPolarHBondContact O-CG 3.26Å; K430-Q434 PolarHBondContact O-N 2.99Å; S431-Q434 PolarHBondContact O-N 2.92Å; W432-Q434 VanDerWaalsContact C-N 3.29Å; W432-Q434 PolarHBondContact O-N 3.23Å; Q434-L449 HydrophobicContact CG-CD1 4.2Å; Q434-L449 HydrophobicContact CG-CD2 3.78Å |
| 435 | S | 94 | Very high | 94.8 | Very high | 94 Ų | 94 | 51.5 Ų | 51.5 | 66% | 0.657 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -101 | -24.3 | -171.7 | 58 | 0 | 0 | 0 | 0 | 114.8 | S431 W432 | S431-S435 WeakPolarHBondContact O-CB 3.21Å; S431-S435 PolarHBondContact O-N 3.48Å; S431-S435 PolarHBondContact O-OG 3.02Å; W432-S435 PolarHBondContact O-N 3.45Å |
| 436 | S | 92.7 | Very high | 94.5 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -89.3 | -21.3 | -169.9 | 62.3 | 0 | 0 | 0 | 0 | 115.1 | W432 V438 | W432-S436 WeakPolarHBondContact O-CB 3.46Å; W432-S436 PolarHBondContact O-N 3.31Å; W432-S436 PolarHBondContact O-OG 2.96Å; S436-V438 PolarHBondContact O-N 3.39Å; S436-V438 VanDerWaalsContact OG-CB 3.24Å; S436-V438 WeakPolarHBondContact OG-CB 3.33Å; S436-V438 VanDerWaalsContact OG-CG1 3.25Å; S436-V438 WeakPolarHBondContact OG-CG1 3.43Å; S436-V438 PolarHBondContact OG-N 2.83Å; S436-V438 VanDerWaalsContact OG-N 3.14Å |
| 437 | G | 91.3 | Very high | 94.1 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 45% | 0.454 | 32% | 0.32 | S | S | . | . | trans | 64 | 20.3 | -167 | 0 | 0 | 0 | 0 | 0 | 113.7 | I439 Q440 | G437-I439 VanDerWaalsContact C-N 3.31Å; G437-I439 PolarHBondContact O-N 2.82Å; G437-Q440 PolarHBondContact O-NE2 3.04Å | ||
| 438 | V | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | trans | -58.9 | -37.6 | -174.8 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | W432 L433 S436 Q440 K537 V538 | W432-V438 HydrophobicContact CD2-CG1 4.28Å; W432-V438 HydrophobicContact CE3-CG1 4.28Å; W432-V438 HydrophobicContact CH2-CB 4.3Å; W432-V438 HydrophobicContact CH2-CG1 3.76Å; W432-V438 HydrophobicContact CH2-CG2 3.81Å; W432-V438 HydrophobicContact CZ2-CB 3.91Å; W432-V438 HydrophobicContact CZ2-CG1 3.77Å; W432-V438 HydrophobicContact CZ2-CG2 3.48Å; W432-V438 VanDerWaalsContact CZ2-CG2 3.48Å; W432-V438 HydrophobicContact CZ3-CG1 4Å; L433-V438 HydrophobicContact CD2-CG1 3.99Å; S436-V438 PolarHBondContact O-N 3.39Å; S436-V438 VanDerWaalsContact OG-CB 3.24Å; S436-V438 WeakPolarHBondContact OG-CB 3.33Å; S436-V438 VanDerWaalsContact OG-CG1 3.25Å; S436-V438 WeakPolarHBondContact OG-CG1 3.43Å; S436-V438 PolarHBondContact OG-N 2.83Å; S436-V438 VanDerWaalsContact OG-N 3.14Å; V438-Q440 PolarHBondContact O-N 2.93Å; V438-K537 CarbonylContact O-C 3.56Å; V438-K537 WeakPolarHBondContact O-CA 3.49Å; V438-V538 HydrophobicContact CG2-CG2 4.09Å; V438-V538 PolarHBondContact O-N 3.44Å | ||
| 439 | I | 95.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 117.5 | -177.6 | -52.7 | -57.4 | 0 | 0 | 0 | 109.8 | L433 G437 L445 L448 L516 V538 | L433-I439 HydrophobicContact CD2-CD1 3.81Å; L433-I439 HydrophobicContact CD2-CG1 3.66Å; G437-I439 VanDerWaalsContact C-N 3.31Å; G437-I439 PolarHBondContact O-N 2.82Å; I439-L445 HydrophobicContact CB-CB 4.45Å; I439-L445 HydrophobicContact CG1-CD1 4.32Å; I439-L448 HydrophobicContact CD1-CD1 3.6Å; I439-L448 HydrophobicContact CG1-CD1 3.8Å; I439-L516 HydrophobicContact CD1-CD1 4.46Å; I439-V538 HydrophobicContact CD1-CB 3.96Å; I439-V538 HydrophobicContact CD1-CG1 4.45Å; I439-V538 HydrophobicContact CD1-CG2 4.38Å |
| 440 | Q | 92 | Very high | 93.2 | Very high | 67 Ų | 67 | 55.9 Ų | 55.9 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.7 | 178.8 | -66.4 | -60.3 | -32 | 0 | 0 | 110.5 | G437 V438 K537 V538 F539 C540 | G437-Q440 PolarHBondContact O-NE2 3.04Å; V438-Q440 PolarHBondContact O-N 2.93Å; Q440-K537 HydrophobicContact CB-CG 4.44Å; Q440-K537 HydrophobicContact CG-CD 4.31Å; Q440-K537 HydrophobicContact CG-CG 4.17Å; Q440-V538 PolarHBondContact N-O 3.39Å; Q440-F539 HydrophobicContact CB-CD2 4.34Å; Q440-F539 CarbonylContact O-C 3.57Å; Q440-F539 VanDerWaalsContact O-CA 3.27Å; Q440-F539 WeakPolarHBondContact O-CA 3.41Å; Q440-C540 PolarHBondContact O-N 3.39Å |
| 441 | P | 89.1 | Confident | 92.8 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 20% | 0.201 | 30% | 0.303 | C | S | . | . | S | Bend | cis | -64.4 | 150.4 | -9.9 | -20.4 | 32 | 0 | 0 | 0 | 113.6 | K443 Y444 C540 A583 | P441-K443 HydrophobicContact CB-CG 4.16Å; P441-K443 PolarHBondContact O-N 3.31Å; P441-Y444 HydrophobicContact CG-CE2 4.39Å; P441-Y444 PolarHBondContact O-N 3.13Å; P441-Y444 VanDerWaalsContact O-N 3.14Å; P441-C540 WeakPolarHBondContact CD-O 3.3Å; P441-A583 HydrophobicContact CG-CB 3.65Å |
| 442 | E | 90.4 | Very high | 92.5 | Very high | 141 Ų | 141 | 51.2 Ų | 51.2 | 66% | 0.659 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -54.7 | -26.1 | -176.9 | -172.3 | -178.5 | 179.6 | 0 | 0 | 113.9 | Y444 L445 | E442-Y444 PolarHBondContact O-N 2.83Å; E442-L445 VanDerWaalsContact O-CB 3.24Å; E442-L445 WeakPolarHBondContact O-CB 3.49Å; E442-L445 PolarHBondContact O-N 2.93Å |
| 443 | K | 88.3 | Confident | 92 | Very high | 121 Ų | 121 | 54.6 Ų | 54.6 | 53% | 0.526 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -57.4 | -18.6 | 178.2 | 66.6 | 158.1 | -73.5 | 172.6 | 0 | 114.8 | P441 H584 | P441-K443 HydrophobicContact CB-CG 4.16Å; P441-K443 PolarHBondContact O-N 3.31Å; K443-H584 HydrophobicContact CD-CB 3.56Å; K443-H584 HydrophobicContact CG-CB 4.47Å; K443-H584 PolarHBondContact NZ-O 2.8Å |
| 444 | Y | 90.7 | Very high | 91.5 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -88.2 | -14.8 | 177.8 | -67.2 | -65.6 | 0 | 0 | 0 | 113 | P441 E442 L447 K513 L516 C540 A583 | P441-Y444 HydrophobicContact CG-CE2 4.39Å; P441-Y444 PolarHBondContact O-N 3.13Å; P441-Y444 VanDerWaalsContact O-N 3.14Å; E442-Y444 PolarHBondContact O-N 2.83Å; Y444-L447 WeakPolarHBondContact O-CB 3.45Å; Y444-L447 PolarHBondContact O-N 2.9Å; Y444-K513 HydrophobicContact CE1-CB 3.95Å; Y444-L516 HydrophobicContact CG-CD2 4.39Å; Y444-C540 HydrophobicContact CD2-CB 3.57Å; Y444-C540 HydrophobicContact CE2-CB 3.98Å; Y444-C540 VanDerWaalsContact CE2-O 3.29Å; Y444-C540 WeakPolarHBondContact CE2-O 3.43Å; Y444-C540 HydrophobicContact CG-CB 4.03Å; Y444-A583 WeakPolarHBondContact CE2-O 3.48Å; Y444-A583 PolarHBondContact OH-O 2.89Å |
| 445 | L | 94.1 | Very high | 91.3 | Very high | 26 Ų | 26 | 53.2 Ų | 53.2 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 178.3 | 174.5 | 63.3 | 0 | 0 | 0 | 113 | L433 I439 E442 L447 L448 L449 | L433-L445 HydrophobicContact CB-CD1 3.87Å; L433-L445 HydrophobicContact CD2-CD1 4.43Å; I439-L445 HydrophobicContact CB-CB 4.45Å; I439-L445 HydrophobicContact CG1-CD1 4.32Å; E442-L445 VanDerWaalsContact O-CB 3.24Å; E442-L445 WeakPolarHBondContact O-CB 3.49Å; E442-L445 PolarHBondContact O-N 2.93Å; L445-L447 PolarHBondContact O-N 3.3Å; L445-L448 PolarHBondContact O-N 3.05Å; L445-L449 HydrophobicContact CD1-CD1 4.2Å; L445-L449 HydrophobicContact CD1-CD2 4.28Å; L445-L449 HydrophobicContact CD1-CG 4.02Å; L445-L449 HydrophobicContact CD2-CD1 4.42Å; L445-L449 HydrophobicContact CG-CD1 3.94Å; L445-L449 HydrophobicContact CG-CG 4.19Å; L445-L449 PolarHBondContact O-N 3.29Å; L445-L449 VanDerWaalsContact O-N 3.11Å |
| 446 | P | 91.3 | Very high | 91.1 | Very high | 69 Ų | 69 | 53.9 Ų | 53.9 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.6 | -32.7 | 178.8 | -26.6 | 36.1 | 0 | 0 | 0 | 113.8 | L448 L449 D450 | P446-L448 VanDerWaalsContact C-N 3.27Å; P446-L448 PolarHBondContact O-N 3.22Å; P446-L449 PolarHBondContact O-N 2.81Å; P446-D450 WeakPolarHBondContact O-CB 3.5Å; P446-D450 PolarHBondContact O-N 2.7Å |
| 447 | L | 89.5 | Confident | 91.2 | Very high | 71 Ų | 71 | 52.8 Ų | 52.8 | 37% | 0.372 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 177.7 | 179.9 | 63.8 | 0 | 0 | 0 | 111.7 | Y444 L445 Q451 L516 | Y444-L447 WeakPolarHBondContact O-CB 3.45Å; Y444-L447 PolarHBondContact O-N 2.9Å; L445-L447 PolarHBondContact O-N 3.3Å; L447-Q451 VanDerWaalsContact O-CG 3.26Å; L447-Q451 WeakPolarHBondContact O-CG 3.2Å; L447-Q451 PolarHBondContact O-N 3.29Å; L447-L516 HydrophobicContact CD2-CD2 4.41Å |
| 448 | L | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.1 | -38.5 | 178.6 | -62 | 172.6 | 0 | 0 | 0 | 111.9 | L433 I439 L445 P446 D450 Q451 I452 L516 K517 I521 | L433-L448 HydrophobicContact CD1-CB 4.06Å; L433-L448 HydrophobicContact CD1-CD1 4.47Å; L433-L448 HydrophobicContact CD2-CD1 3.93Å; I439-L448 HydrophobicContact CD1-CD1 3.6Å; I439-L448 HydrophobicContact CG1-CD1 3.8Å; L445-L448 PolarHBondContact O-N 3.05Å; P446-L448 VanDerWaalsContact C-N 3.27Å; P446-L448 PolarHBondContact O-N 3.22Å; L448-D450 VanDerWaalsContact C-N 3.32Å; L448-D450 PolarHBondContact O-N 3.28Å; L448-Q451 PolarHBondContact O-N 2.93Å; L448-I452 WeakPolarHBondContact O-CB 3.29Å; L448-I452 PolarHBondContact O-N 3.09Å; L448-L516 HydrophobicContact CD1-CD1 4.39Å; L448-L516 HydrophobicContact CD1-CD2 4.08Å; L448-L516 HydrophobicContact CD1-CG 3.98Å; L448-L516 HydrophobicContact CD2-CD2 4.19Å; L448-L516 HydrophobicContact CD2-CG 3.88Å; L448-L516 HydrophobicContact CG-CD2 4Å; L448-L516 HydrophobicContact CG-CG 4.11Å; L448-K517 HydrophobicContact CD2-CB 4.44Å; L448-I521 HydrophobicContact CB-CD1 4.28Å; L448-I521 HydrophobicContact CB-CG1 4.39Å; L448-I521 HydrophobicContact CD2-CD1 3.92Å; L448-I521 HydrophobicContact CD2-CG1 3.92Å |
| 449 | L | 93.7 | Very high | 91.2 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 17% | 0.168 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 177.1 | -63.1 | -179.9 | 0 | 0 | 0 | 112.1 | K430 L433 Q434 L445 P446 Q451 I452 | K430-L449 HydrophobicContact CG-CD2 4.1Å; L433-L449 HydrophobicContact CB-CD2 4.35Å; Q434-L449 HydrophobicContact CG-CD1 4.2Å; Q434-L449 HydrophobicContact CG-CD2 3.78Å; L445-L449 HydrophobicContact CD1-CD1 4.2Å; L445-L449 HydrophobicContact CD1-CD2 4.28Å; L445-L449 HydrophobicContact CD1-CG 4.02Å; L445-L449 HydrophobicContact CD2-CD1 4.42Å; L445-L449 HydrophobicContact CG-CD1 3.94Å; L445-L449 HydrophobicContact CG-CG 4.19Å; L445-L449 PolarHBondContact O-N 3.29Å; L445-L449 VanDerWaalsContact O-N 3.11Å; P446-L449 PolarHBondContact O-N 2.81Å; L449-Q451 VanDerWaalsContact C-N 3.34Å; L449-I452 WeakPolarHBondContact O-CG2 3.42Å |
| 450 | D | 89.3 | Confident | 91.2 | Very high | 122 Ų | 122 | 51.6 Ų | 51.6 | 65% | 0.652 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -68.8 | -34.7 | 175.3 | -73.1 | -9.4 | 0 | 0 | 0 | 111.6 | P446 L448 | P446-D450 WeakPolarHBondContact O-CB 3.5Å; P446-D450 PolarHBondContact O-N 2.7Å; L448-D450 VanDerWaalsContact C-N 3.32Å; L448-D450 PolarHBondContact O-N 3.28Å |
| 451 | Q | 88.4 | Confident | 91.4 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75.5 | -39 | 178.6 | -75.9 | 176.9 | -7.8 | 0 | 0 | 112.7 | L447 L448 L449 D453 I454 L455 K517 I521 | L447-Q451 VanDerWaalsContact O-CG 3.26Å; L447-Q451 WeakPolarHBondContact O-CG 3.2Å; L447-Q451 PolarHBondContact O-N 3.29Å; L448-Q451 PolarHBondContact O-N 2.93Å; L449-Q451 VanDerWaalsContact C-N 3.34Å; Q451-D453 PolarHBondContact O-N 2.82Å; Q451-D453 VanDerWaalsContact O-N 3.15Å; Q451-I454 VanDerWaalsContact O-CG1 3.24Å; Q451-I454 WeakPolarHBondContact O-CG1 3.48Å; Q451-I454 PolarHBondContact O-N 2.9Å; Q451-I454 VanDerWaalsContact O-N 3.16Å; Q451-L455 WeakPolarHBondContact O-CG 3.47Å; Q451-L455 PolarHBondContact O-N 3.18Å; Q451-K517 VanDerWaalsContact OE1-CB 3.28Å; Q451-I521 HydrophobicContact CB-CD1 4.01Å |
| 452 | I | 92.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -29.6 | -173 | -150.3 | 165.4 | 0 | 0 | 0 | 112.7 | L426 V429 K430 L433 L448 L449 I454 I521 | L426-I452 HydrophobicContact CB-CG1 4.14Å; L426-I452 HydrophobicContact CD2-CD1 4.37Å; L426-I452 HydrophobicContact CD2-CG1 3.8Å; L426-I452 HydrophobicContact CG-CG1 4.39Å; L426-I452 WeakPolarHBondContact O-CD1 3.46Å; V429-I452 HydrophobicContact CB-CD1 4.04Å; V429-I452 HydrophobicContact CG1-CD1 3.8Å; K430-I452 HydrophobicContact CB-CD1 3.82Å; K430-I452 HydrophobicContact CB-CG2 4.4Å; K430-I452 HydrophobicContact CD-CG2 3.85Å; K430-I452 HydrophobicContact CG-CD1 4.49Å; K430-I452 HydrophobicContact CG-CG2 4.04Å; L433-I452 HydrophobicContact CD1-CD1 4.23Å; L448-I452 WeakPolarHBondContact O-CB 3.29Å; L448-I452 PolarHBondContact O-N 3.09Å; L449-I452 WeakPolarHBondContact O-CG2 3.42Å; I452-I454 VanDerWaalsContact C-N 3.31Å; I452-I454 PolarHBondContact O-N 2.85Å; I452-I521 HydrophobicContact CB-CD1 4.4Å; I452-I521 HydrophobicContact CG1-CG2 4.38Å |
| 453 | D | 86.4 | Confident | 91.7 | Very high | 107 Ų | 107 | 43 Ų | 43 | 57% | 0.572 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.1 | -176.1 | -72.4 | -23.2 | 0 | 0 | 0 | 113.7 | K430 Q451 | K430-D453 IonicContact NZ-OD1 2.7Å; K430-D453 PolarHBondContact NZ-OD1 2.98Å; K430-D453 IonicContact NZ-OD2 3.75Å; K430-D453 PolarHBondContact NZ-OD2 3.47Å; Q451-D453 PolarHBondContact O-N 2.82Å; Q451-D453 VanDerWaalsContact O-N 3.15Å |
| 454 | I | 87.1 | Confident | 92 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 34% | 0.344 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -1 | -179.9 | 64.5 | 166.2 | 0 | 0 | 0 | 113.4 | E393 Q451 I452 | E393-I454 HydrophobicContact CG-CD1 3.88Å; Q451-I454 VanDerWaalsContact O-CG1 3.24Å; Q451-I454 WeakPolarHBondContact O-CG1 3.48Å; Q451-I454 PolarHBondContact O-N 2.9Å; Q451-I454 VanDerWaalsContact O-N 3.16Å; I452-I454 VanDerWaalsContact C-N 3.31Å; I452-I454 PolarHBondContact O-N 2.85Å |
| 455 | L | 91.3 | Very high | 92 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.115 | 24% | 0.24 | C | C | . | . | trans | -79.4 | 136.3 | -178.5 | -78 | 170.7 | 0 | 0 | 0 | 111.4 | L422 L426 Q451 I521 F522 | L422-L455 HydrophobicContact CD2-CB 4.24Å; L422-L455 HydrophobicContact CD2-CD1 4.38Å; L426-L455 HydrophobicContact CD1-CB 3.87Å; L426-L455 WeakPolarHBondContact CD1-O 3.24Å; Q451-L455 WeakPolarHBondContact O-CG 3.47Å; Q451-L455 PolarHBondContact O-N 3.18Å; L455-I521 HydrophobicContact CD1-CD1 3.85Å; L455-I521 HydrophobicContact CD1-CG2 3.73Å; L455-F522 HydrophobicContact CD1-CE1 4Å; L455-F522 HydrophobicContact CD2-CE1 4.12Å; L455-F522 HydrophobicContact CD2-CZ 4.4Å | ||
| 456 | E | 90.7 | Very high | 91.7 | Very high | 109 Ų | 109 | 48.3 Ų | 48.3 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | trans | -110.9 | -178.5 | 173.4 | -68.4 | -64.4 | 161.4 | 0 | 0 | 110.2 | K423 I458 | K423-E456 VanDerWaalsContact NZ-CD 3.3Å; K423-E456 IonicContact NZ-OE1 3.65Å; K423-E456 PolarHBondContact NZ-OE1 2.91Å; K423-E456 IonicContact NZ-OE2 3.75Å; K423-E456 PolarHBondContact NZ-OE2 3.06Å; E456-I458 PolarHBondContact O-N 2.85Å | ||
| 457 | D | 94.3 | Very high | 91.7 | Very high | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.171 | 22% | 0.224 | C | C | . | . | trans | -54.9 | 135.1 | 171.2 | -76.6 | -1.7 | 0 | 0 | 0 | 111.2 | Y373 F420 R421 L422 K423 | Y373-D457 VanDerWaalsContact CE1-OD2 3.3Å; Y373-D457 WeakPolarHBondContact CE1-OD2 3.02Å; Y373-D457 WeakPolarHBondContact OH-CB 3.49Å; Y373-D457 PolarHBondContact OH-OD2 2.91Å; F420-D457 WeakPolarHBondContact O-CA 3.42Å; F420-D457 WeakPolarHBondContact O-CB 3.41Å; R421-D457 VanDerWaalsContact C-OD1 3.28Å; R421-D457 WeakPolarHBondContact CA-OD1 3.41Å; L422-D457 PolarHBondContact N-OD1 2.8Å; L422-D457 VanDerWaalsContact N-OD1 3.1Å; K423-D457 WeakPolarHBondContact CB-OD1 3.42Å; K423-D457 PolarHBondContact N-OD1 2.77Å; K423-D457 VanDerWaalsContact N-OD1 3.11Å | ||
| 458 | I | 93.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.108 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.5 | -173.4 | 59.1 | 172.2 | 0 | 0 | 0 | 111.1 | M419 F420 L422 E456 V460 F522 F526 | M419-I458 CarbonylContact C-O 3.56Å; M419-I458 WeakPolarHBondContact CA-O 2.85Å; F420-I458 HydrophobicContact CB-CG1 4.11Å; F420-I458 HydrophobicContact CD1-CD1 4.32Å; F420-I458 HydrophobicContact CD1-CG1 4.08Å; F420-I458 PolarHBondContact N-O 2.82Å; F420-I458 PolarHBondContact O-N 3.15Å; L422-I458 HydrophobicContact CB-CG1 4.26Å; L422-I458 HydrophobicContact CD2-CD1 4.33Å; L422-I458 HydrophobicContact CD2-CG1 4.32Å; L422-I458 HydrophobicContact CD2-CG2 3.63Å; E456-I458 PolarHBondContact O-N 2.85Å; I458-V460 HydrophobicContact CD1-CG1 4.13Å; I458-V460 HydrophobicContact CG1-CG1 4.01Å; I458-V460 PolarHBondContact O-N 2.74Å; I458-F522 HydrophobicContact CD1-CD1 4.24Å; I458-F522 HydrophobicContact CD1-CD2 3.99Å; I458-F522 HydrophobicContact CD1-CE1 4.35Å; I458-F522 HydrophobicContact CD1-CE2 4.12Å; I458-F522 HydrophobicContact CD1-CG 4.08Å; I458-F522 HydrophobicContact CD1-CZ 4.3Å; I458-F522 HydrophobicContact CG2-CE1 4.27Å; I458-F522 HydrophobicContact CG2-CZ 4.06Å; I458-F526 HydrophobicContact CD1-CE1 3.94Å; I458-F526 HydrophobicContact CD1-CZ 3.77Å |
| 459 | S | 94.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 123.5 | 171.1 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | N417 M419 S461 R462 | N417-S459 WeakPolarHBondContact CB-OG 3.44Å; N417-S459 PolarHBondContact ND2-OG 2.85Å; M419-S459 VanDerWaalsContact SD-CA 3.59Å; S459-S461 PolarHBondContact OG-O 2.85Å; S459-R462 PolarHBondContact O-NH1 2.83Å; S459-R462 PolarHBondContact OG-NH1 2.93Å |
| 460 | V | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -115.6 | 9 | -178.4 | -64 | 0 | 0 | 0 | 0 | 113.9 | W363 L372 Y418 F420 I458 Y482 L485 F526 | W363-V460 HydrophobicContact CH2-CG2 4.16Å; W363-V460 HydrophobicContact CZ3-CB 4.48Å; W363-V460 HydrophobicContact CZ3-CG2 4Å; W363-V460 WeakPolarHBondContact CZ3-O 3.39Å; L372-V460 HydrophobicContact CD2-CG2 3.65Å; Y418-V460 PolarHBondContact O-N 3.07Å; F420-V460 HydrophobicContact CB-CB 4.34Å; F420-V460 HydrophobicContact CB-CG1 3.5Å; F420-V460 HydrophobicContact CB-CG2 3.87Å; F420-V460 HydrophobicContact CG-CG1 4.4Å; I458-V460 HydrophobicContact CD1-CG1 4.13Å; I458-V460 HydrophobicContact CG1-CG1 4.01Å; I458-V460 PolarHBondContact O-N 2.74Å; V460-Y482 HydrophobicContact CG1-CD1 4.3Å; V460-Y482 WeakPolarHBondContact O-CB 3.02Å; V460-Y482 PolarHBondContact O-N 3.17Å; V460-L485 HydrophobicContact CB-CD2 4.14Å; V460-F526 HydrophobicContact CG1-CE1 4.15Å; V460-F526 HydrophobicContact CG1-CZ 4.2Å | ||
| 461 | S | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 167 | 160.3 | 72.1 | 0 | 0 | 0 | 0 | 110.3 | N417 Y418 S459 Q479 T480 | N417-S461 WeakPolarHBondContact CB-O 3.07Å; N417-S461 PolarHBondContact ND2-O 2.85Å; Y418-S461 PolarHBondContact N-OG 3.38Å; Y418-S461 PolarHBondContact O-N 3.44Å; S459-S461 PolarHBondContact OG-O 2.85Å; S461-Q479 PolarHBondContact OG-OE1 3.28Å; S461-T480 CarbonylContact C-O 3.35Å; S461-T480 WeakPolarHBondContact CA-O 3.45Å; S461-T480 WeakPolarHBondContact CB-O 2.9Å |
| 462 | R | 93.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 155.2 | 175.6 | -57.4 | -49.6 | -171.8 | -112.2 | -5.4 | 110.4 | E386 S459 S464 Q467 Q479 T480 | E386-R462 PolarHBondContact O-NH2 2.83Å; S459-R462 PolarHBondContact O-NH1 2.83Å; S459-R462 PolarHBondContact OG-NH1 2.93Å; R462-S464 PolarHBondContact O-N 2.97Å; R462-Q467 HydrophobicContact CB-CB 4.04Å; R462-Q467 HydrophobicContact CG-CB 4.38Å; R462-Q479 CarbonylContact O-C 3.58Å; R462-Q479 VanDerWaalsContact O-CA 3.3Å; R462-Q479 WeakPolarHBondContact O-CA 3.42Å; R462-Q479 PolarHBondContact O-OE1 2.77Å; R462-T480 PolarHBondContact N-O 3.33Å; R462-T480 PolarHBondContact O-N 3.35Å |
| 463 | D | 92.5 | Very high | 92.8 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 122.9 | 164.8 | -171.8 | -33.6 | 0 | 0 | 0 | 109.6 | K465 R466 Q467 | D463-K465 PolarHBondContact O-N 2.63Å; D463-K465 VanDerWaalsContact O-N 3.16Å; D463-K465 VanDerWaalsContact OD1-CB 3.32Å; D463-K465 WeakPolarHBondContact OD1-CB 3.26Å; D463-K465 WeakPolarHBondContact OD1-CG 3.2Å; D463-K465 PolarHBondContact OD1-N 3.46Å; D463-R466 WeakPolarHBondContact O-CB 3.46Å; D463-R466 PolarHBondContact O-N 3.39Å; D463-Q467 PolarHBondContact O-N 2.78Å |
| 464 | S | 93.2 | Very high | 93.3 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.4 | 178.2 | 56.7 | 0 | 0 | 0 | 0 | 113.3 | R462 R466 Q467 P468 S478 T480 | R462-S464 PolarHBondContact O-N 2.97Å; S464-R466 VanDerWaalsContact C-N 3.3Å; S464-R466 PolarHBondContact O-N 2.73Å; S464-Q467 CarbonylContact O-C 3.37Å; S464-P468 WeakPolarHBondContact O-CA 3.41Å; S464-P468 WeakPolarHBondContact O-CB 3.36Å; S464-P468 WeakPolarHBondContact O-CD 3.11Å; S464-S478 WeakPolarHBondContact CB-O 3.46Å; S464-S478 PolarHBondContact N-O 3.22Å; S464-S478 VanDerWaalsContact OG-C 3.27Å; S464-S478 PolarHBondContact OG-O 2.86Å; S464-T480 WeakPolarHBondContact CA-OG1 3.22Å |
| 465 | K | 91.8 | Very high | 93.6 | Very high | 184 Ų | 184 | 49.6 Ų | 49.6 | 80% | 0.8 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -30.1 | 174.5 | -62.2 | 176.4 | -176.2 | 173.2 | 0 | 112.3 | D463 | D463-K465 PolarHBondContact O-N 2.63Å; D463-K465 VanDerWaalsContact O-N 3.16Å; D463-K465 VanDerWaalsContact OD1-CB 3.32Å; D463-K465 WeakPolarHBondContact OD1-CB 3.26Å; D463-K465 WeakPolarHBondContact OD1-CG 3.2Å; D463-K465 PolarHBondContact OD1-N 3.46Å |
| 466 | R | 88.3 | Confident | 93.8 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -37.3 | 178.6 | -166.6 | -178.7 | 79.2 | -170.4 | 2.2 | 111.9 | S309 E415 D463 S464 P468 | S309-R466 PolarHBondContact OG-O 2.81Å; S309-R466 VanDerWaalsContact OG-O 3.09Å; E415-R466 IonicContact OE1-CZ 3.19Å; E415-R466 IonicContact OE1-NH1 2.95Å; E415-R466 PolarHBondContact OE1-NH1 3.09Å; E415-R466 IonicContact OE1-NH2 3.3Å; E415-R466 PolarHBondContact OE1-NH2 3.36Å; E415-R466 IonicContact OE2-CZ 3.18Å; E415-R466 IonicContact OE2-NE 3.74Å; E415-R466 IonicContact OE2-NH1 2.91Å; E415-R466 PolarHBondContact OE2-NH1 2.66Å; E415-R466 IonicContact OE2-NH2 3.2Å; D463-R466 WeakPolarHBondContact O-CB 3.46Å; D463-R466 PolarHBondContact O-N 3.39Å; S464-R466 VanDerWaalsContact C-N 3.3Å; S464-R466 PolarHBondContact O-N 2.73Å; R466-P468 VanDerWaalsContact C-CD 3.47Å |
| 467 | Q | 90 | Very high | 94 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -127.2 | 70.8 | 179.1 | -166.1 | -172.2 | -69.8 | 0 | 0 | 110.3 | R462 D463 S464 W469 T480 I481 | R462-Q467 HydrophobicContact CB-CB 4.04Å; R462-Q467 HydrophobicContact CG-CB 4.38Å; D463-Q467 PolarHBondContact O-N 2.78Å; S464-Q467 CarbonylContact O-C 3.37Å; Q467-W469 PolarHBondContact O-N 2.99Å; Q467-T480 WeakPolarHBondContact O-CB 3.49Å; Q467-T480 WeakPolarHBondContact O-CG2 3.27Å; Q467-T480 PolarHBondContact O-OG1 3.11Å; Q467-T480 VanDerWaalsContact O-OG1 3.05Å; Q467-I481 PolarHBondContact NE2-O 3.27Å | ||
| 468 | P | 89.7 | Confident | 94.1 | Very high | 92 Ų | 92 | 49.4 Ų | 49.4 | 60% | 0.597 | 27% | 0.265 | S | S | * | . | trans | -70.2 | -20.5 | -176.9 | 27.6 | -35.8 | 0 | 0 | 0 | 113.2 | S464 R466 | S464-P468 WeakPolarHBondContact O-CA 3.41Å; S464-P468 WeakPolarHBondContact O-CB 3.36Å; S464-P468 WeakPolarHBondContact O-CD 3.11Å; R466-P468 VanDerWaalsContact C-CD 3.47Å | ||
| 469 | W | 94.4 | Very high | 94.2 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 21% | 0.205 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -98.7 | 97.8 | 179.1 | -172.4 | -110.6 | 0 | 0 | 0 | 110.7 | E306 Y307 G308 A312 V322 E323 T351 Q467 | E306-W469 PolarHBondContact O-NE1 3.41Å; Y307-W469 HydrophobicContact CD1-CD2 4.47Å; Y307-W469 HydrophobicContact CD1-CG 4.45Å; Y307-W469 AromaticContact CD1-NE1 3.77Å; G308-W469 PolarHBondContact N-O 3.21Å; A312-W469 HydrophobicContact CB-CB 4.03Å; V322-W469 HydrophobicContact CB-CD2 3.94Å; V322-W469 HydrophobicContact CB-CE3 4.1Å; V322-W469 HydrophobicContact CB-CG 4.45Å; V322-W469 HydrophobicContact CB-CH2 4.3Å; V322-W469 HydrophobicContact CB-CZ2 4.15Å; V322-W469 HydrophobicContact CB-CZ3 4.27Å; V322-W469 HydrophobicContact CG1-CD2 3.52Å; V322-W469 HydrophobicContact CG1-CE3 4.21Å; V322-W469 HydrophobicContact CG1-CG 3.7Å; V322-W469 HydrophobicContact CG1-CH2 4.46Å; V322-W469 HydrophobicContact CG1-CZ2 3.84Å; V322-W469 VanDerWaalsContact CG1-NE1 3.34Å; V322-W469 HydrophobicContact CG2-CD2 4.46Å; E323-W469 HydrophobicContact CB-CH2 4.44Å; T351-W469 HydrophobicContact CG2-CZ2 4.13Å; Q467-W469 PolarHBondContact O-N 2.99Å |
| 470 | G | 95 | Very high | 94.4 | Very high | 14 Ų | 14 | 48.7 Ų | 48.7 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 178.6 | -175.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T480 | G470-T480 VanDerWaalsContact CA-CG2 3.48Š|
| 471 | I | 97 | Very high | 94.5 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 128 | 174.3 | -56.8 | -164.3 | 0 | 0 | 0 | 109.9 | Y307 R356 V359 H360 T480 I481 D486 | Y307-I471 HydrophobicContact CD2-CG1 4.13Å; Y307-I471 HydrophobicContact CE1-CG1 4.5Å; Y307-I471 HydrophobicContact CE2-CD1 3.82Å; Y307-I471 HydrophobicContact CE2-CG1 3.44Å; Y307-I471 VanDerWaalsContact CE2-CG1 3.44Å; R356-I471 HydrophobicContact CB-CD1 4.22Å; R356-I471 HydrophobicContact CG-CD1 3.85Å; R356-I471 HydrophobicContact CG-CG1 4.46Å; V359-I471 HydrophobicContact CB-CD1 3.97Å; V359-I471 HydrophobicContact CG1-CD1 4.08Å; V359-I471 HydrophobicContact CG1-CG2 4.36Å; V359-I471 HydrophobicContact CG2-CD1 4.11Å; H360-I471 VanDerWaalsContact NE2-CG2 3.29Å; H360-I471 WeakPolarHBondContact NE2-CG2 3.33Å; I471-T480 CarbonylContact O-C 3.49Å; I471-I481 HydrophobicContact CB-CD1 4.48Å; I471-I481 HydrophobicContact CG2-CD1 4.03Å; I471-I481 WeakPolarHBondContact O-CB 3.41Å; I471-I481 WeakPolarHBondContact O-CG1 3.3Å; I471-I481 PolarHBondContact O-N 2.78Å; I471-D486 WeakPolarHBondContact CD1-OD1 3.42Å |
| 472 | D | 97.2 | Very high | 94.4 | Very high | 84 Ų | 84 | 49 Ų | 49 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 145.5 | 177.7 | -62.6 | -35.8 | 0 | 0 | 0 | 112.5 | H360 P474 | H360-D472 PolarHBondContact NE2-O 2.74Å; D472-P474 WeakPolarHBondContact O-CD 3.27Å |
| 473 | V | 97.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 127.3 | 170.1 | 171.8 | 0 | 0 | 0 | 0 | 109.2 | W363 Y418 K475 D476 Q479 I481 | W363-V473 HydrophobicContact CH2-CG1 4.37Å; W363-V473 HydrophobicContact CH2-CG2 3.82Å; W363-V473 HydrophobicContact CZ2-CB 4.29Å; W363-V473 HydrophobicContact CZ2-CG1 3.5Å; W363-V473 VanDerWaalsContact CZ2-CG1 3.5Å; W363-V473 HydrophobicContact CZ2-CG2 3.79Å; W363-V473 HydrophobicContact CZ3-CG2 4.4Å; Y418-V473 HydrophobicContact CD2-CG1 4.24Å; Y418-V473 HydrophobicContact CD2-CG2 4.41Å; Y418-V473 HydrophobicContact CE2-CG1 3.83Å; V473-K475 PolarHBondContact O-N 3.24Å; V473-K475 VanDerWaalsContact O-N 3.16Å; V473-D476 HydrophobicContact CB-CB 4.38Å; V473-D476 HydrophobicContact CG1-CB 4.07Å; V473-D476 CarbonylContact O-C 3.26Å; V473-D476 PolarHBondContact O-N 3.26Å; V473-Q479 HydrophobicContact CB-CB 3.97Å; V473-Q479 HydrophobicContact CG2-CB 3.66Å; V473-Q479 PolarHBondContact N-O 3.04Å; V473-I481 HydrophobicContact CG2-CG1 3.81Å |
| 474 | P | 95.8 | Very high | 94.5 | Very high | 46 Ų | 46 | 48.1 Ų | 48.1 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 124.4 | 177.3 | -28.2 | 34.1 | 0 | 0 | 0 | 112.2 | H360 W363 D472 D476 | H360-P474 HydrophobicContact CB-CG 4.25Å; W363-P474 HydrophobicContact CG-CG 4.28Å; D472-P474 WeakPolarHBondContact O-CD 3.27Å; P474-D476 PolarHBondContact O-N 2.82Å |
| 475 | K | 93.6 | Very high | 94.6 | Very high | 221 Ų | 221 | 46.9 Ų | 46.9 | 96% | 0.961 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 12.7 | -179.6 | -47.6 | 176.6 | -178.9 | 180 | 0 | 115.5 | V473 | V473-K475 PolarHBondContact O-N 3.24Å; V473-K475 VanDerWaalsContact O-N 3.16Å |
| 476 | D | 96.5 | Very high | 94.8 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 13% | 0.128 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 81.3 | 170.6 | -169.6 | -9.3 | 0 | 0 | 0 | 110.1 | K374 Y418 V473 P474 S478 Q479 | K374-D476 IonicContact NZ-OD2 2.79Å; K374-D476 PolarHBondContact NZ-OD2 2.86Å; Y418-D476 HydrophobicContact CE2-CB 4.25Å; Y418-D476 WeakPolarHBondContact CE2-OD2 3.41Å; Y418-D476 PolarHBondContact OH-OD2 2.84Å; V473-D476 HydrophobicContact CB-CB 4.38Å; V473-D476 HydrophobicContact CG1-CB 4.07Å; V473-D476 CarbonylContact O-C 3.26Å; V473-D476 PolarHBondContact O-N 3.26Å; P474-D476 PolarHBondContact O-N 2.82Å; D476-S478 PolarHBondContact O-N 3.49Å; D476-S478 WeakPolarHBondContact OD1-CB 3.5Å; D476-S478 PolarHBondContact OD1-N 3.45Å; D476-S478 PolarHBondContact OD1-OG 3.09Å; D476-Q479 PolarHBondContact O-N 3.46Å |
| 477 | A | 94 | Very high | 95.1 | Very high | 78 Ų | 78 | 35.5 Ų | 35.5 | 65% | 0.645 | 20% | 0.199 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | -5.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q479 | A477-Q479 PolarHBondContact O-N 3.46Å |
| 478 | S | 95.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 35.6 Ų | 35.6 | 40% | 0.399 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -9.3 | 171.7 | 77 | 0 | 0 | 0 | 0 | 112.6 | S464 D476 | S464-S478 WeakPolarHBondContact CB-O 3.46Å; S464-S478 PolarHBondContact N-O 3.22Å; S464-S478 VanDerWaalsContact OG-C 3.27Å; S464-S478 PolarHBondContact OG-O 2.86Å; D476-S478 PolarHBondContact O-N 3.49Å; D476-S478 WeakPolarHBondContact OD1-CB 3.5Å; D476-S478 PolarHBondContact OD1-N 3.45Å; D476-S478 PolarHBondContact OD1-OG 3.09Å |
| 479 | Q | 97.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 137.7 | -171.6 | -67.1 | -73.5 | -47.1 | 0 | 0 | 111.7 | T416 N417 Y418 S461 R462 V473 D476 A477 | T416-Q479 PolarHBondContact O-NE2 3.23Å; N417-Q479 PolarHBondContact OD1-OE1 3.41Å; Y418-Q479 HydrophobicContact CD2-CB 4.47Å; Y418-Q479 HydrophobicContact CD2-CG 4.26Å; Y418-Q479 HydrophobicContact CE2-CB 4.42Å; Y418-Q479 HydrophobicContact CE2-CG 4.12Å; S461-Q479 PolarHBondContact OG-OE1 3.28Å; R462-Q479 CarbonylContact O-C 3.58Å; R462-Q479 VanDerWaalsContact O-CA 3.3Å; R462-Q479 WeakPolarHBondContact O-CA 3.42Å; R462-Q479 PolarHBondContact O-OE1 2.77Å; V473-Q479 HydrophobicContact CB-CB 3.97Å; V473-Q479 HydrophobicContact CG2-CB 3.66Å; V473-Q479 PolarHBondContact N-O 3.04Å; D476-Q479 PolarHBondContact O-N 3.46Å; A477-Q479 PolarHBondContact O-N 3.46Å |
| 480 | T | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.9 | 176 | -54.8 | 0 | 0 | 0 | 0 | 109.4 | S461 R462 S464 Q467 G470 I471 | S461-T480 CarbonylContact C-O 3.35Å; S461-T480 WeakPolarHBondContact CA-O 3.45Å; S461-T480 WeakPolarHBondContact CB-O 2.9Å; R462-T480 PolarHBondContact N-O 3.33Å; R462-T480 PolarHBondContact O-N 3.35Å; S464-T480 WeakPolarHBondContact CA-OG1 3.22Å; Q467-T480 WeakPolarHBondContact O-CB 3.49Å; Q467-T480 WeakPolarHBondContact O-CG2 3.27Å; Q467-T480 PolarHBondContact O-OG1 3.11Å; Q467-T480 VanDerWaalsContact O-OG1 3.05Å; G470-T480 VanDerWaalsContact CA-CG2 3.48Å; I471-T480 CarbonylContact O-C 3.49Å |
| 481 | I | 97.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 140.2 | 177.9 | -65.2 | 178.2 | 0 | 0 | 0 | 109.8 | V359 W363 Q467 I471 V473 V483 L485 D486 | V359-I481 HydrophobicContact CG1-CD1 3.73Å; V359-I481 HydrophobicContact CG1-CG2 4.26Å; W363-I481 HydrophobicContact CB-CD1 4.37Å; W363-I481 HydrophobicContact CD2-CD1 4.18Å; W363-I481 HydrophobicContact CD2-CG1 4.39Å; W363-I481 HydrophobicContact CE3-CD1 3.86Å; W363-I481 HydrophobicContact CE3-CG1 3.82Å; W363-I481 HydrophobicContact CE3-CG2 4.34Å; W363-I481 HydrophobicContact CG-CD1 4.41Å; W363-I481 HydrophobicContact CZ3-CG1 3.97Å; W363-I481 HydrophobicContact CZ3-CG2 4.37Å; Q467-I481 PolarHBondContact NE2-O 3.27Å; I471-I481 HydrophobicContact CB-CD1 4.48Å; I471-I481 HydrophobicContact CG2-CD1 4.03Å; I471-I481 WeakPolarHBondContact O-CB 3.41Å; I471-I481 WeakPolarHBondContact O-CG1 3.3Å; I471-I481 PolarHBondContact O-N 2.78Å; V473-I481 HydrophobicContact CG2-CG1 3.81Å; I481-V483 PolarHBondContact O-N 3.37Å; I481-L485 HydrophobicContact CG2-CB 4.37Å; I481-L485 HydrophobicContact CG2-CD2 4.13Å; I481-L485 HydrophobicContact CG2-CG 4.42Å; I481-D486 HydrophobicContact CG2-CB 4.42Å |
| 482 | Y | 94.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | trans | -62.6 | 126.7 | 176.9 | 172.5 | -142.3 | 0 | 0 | 0 | 111.6 | E386 V460 W484 L485 D486 | E386-Y482 VanDerWaalsContact O-CE2 3.26Å; E386-Y482 WeakPolarHBondContact O-CE2 3.4Å; V460-Y482 HydrophobicContact CG1-CD1 4.3Å; V460-Y482 WeakPolarHBondContact O-CB 3.02Å; V460-Y482 PolarHBondContact O-N 3.17Å; Y482-W484 VanDerWaalsContact C-N 3.29Å; Y482-W484 HydrophobicContact CD1-CB 4.2Å; Y482-W484 HydrophobicContact CE1-CB 3.64Å; Y482-W484 HydrophobicContact CE1-CG 4.37Å; Y482-W484 HydrophobicContact CE2-CB 4.07Å; Y482-W484 AromaticContact CE2-CD1 3.6Å; Y482-W484 HydrophobicContact CE2-CG 4.22Å; Y482-W484 AromaticContact CZ-CD1 3.44Å; Y482-W484 VanDerWaalsContact CZ-CD1 3.44Å; Y482-W484 AromaticContact CZ-CG 3.84Å; Y482-W484 PolarHBondContact O-N 2.79Å; Y482-L485 HydrophobicContact CD1-CB 4.46Å; Y482-L485 WeakPolarHBondContact O-CB 3.23Å; Y482-L485 PolarHBondContact O-N 2.74Å; Y482-D486 PolarHBondContact O-N 3.1Å | ||
| 483 | V | 93.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -49.7 | -43.1 | -176.2 | -61.8 | 0 | 0 | 0 | 0 | 113.7 | E386 I481 L485 D486 A487 | E386-V483 HydrophobicContact CB-CG2 3.92Å; E386-V483 WeakPolarHBondContact OE2-CG2 3.48Å; I481-V483 PolarHBondContact O-N 3.37Å; V483-L485 VanDerWaalsContact C-N 3.33Å; V483-L485 PolarHBondContact O-N 2.92Å; V483-D486 WeakPolarHBondContact O-CB 3.5Å; V483-D486 PolarHBondContact O-N 2.86Å; V483-A487 WeakPolarHBondContact O-CB 3.31Å; V483-A487 PolarHBondContact O-N 2.7Å |
| 484 | W | 93.8 | Very high | 95.1 | Very high | 38 Ų | 38 | 24.4 Ų | 24.4 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.2 | -30 | -180 | -77.3 | 98.9 | 0 | 0 | 0 | 113.2 | D385 Y482 L488 I515 F518 | D385-W484 PolarHBondContact O-NE1 2.78Å; Y482-W484 VanDerWaalsContact C-N 3.29Å; Y482-W484 HydrophobicContact CD1-CB 4.2Å; Y482-W484 HydrophobicContact CE1-CB 3.64Å; Y482-W484 HydrophobicContact CE1-CG 4.37Å; Y482-W484 HydrophobicContact CE2-CB 4.07Å; Y482-W484 AromaticContact CE2-CD1 3.6Å; Y482-W484 HydrophobicContact CE2-CG 4.22Å; Y482-W484 AromaticContact CZ-CD1 3.44Å; Y482-W484 VanDerWaalsContact CZ-CD1 3.44Å; Y482-W484 AromaticContact CZ-CG 3.84Å; Y482-W484 PolarHBondContact O-N 2.79Å; W484-L488 VanDerWaalsContact O-CB 3.26Å; W484-L488 WeakPolarHBondContact O-CB 3.47Å; W484-L488 WeakPolarHBondContact O-CD1 3.21Å; W484-L488 WeakPolarHBondContact O-CG 3.18Å; W484-L488 PolarHBondContact O-N 3.34Å; W484-L488 VanDerWaalsContact O-N 3.1Å; W484-I515 HydrophobicContact CH2-CB 3.9Å; W484-I515 HydrophobicContact CH2-CG2 3.5Å; W484-I515 VanDerWaalsContact CH2-CG2 3.5Å; W484-I515 HydrophobicContact CZ2-CG2 3.99Å; W484-F518 HydrophobicContact CB-CD1 4.24Å; W484-F518 AromaticContact CD1-CE1 3.62Å; W484-F518 AromaticContact CD1-CZ 3.98Å; W484-F518 HydrophobicContact CD2-CB 4.13Å; W484-F518 AromaticContact CD2-CD1 3.53Å; W484-F518 HydrophobicContact CD2-CD1 3.53Å; W484-F518 AromaticContact CD2-CD2 3.85Å; W484-F518 HydrophobicContact CD2-CD2 3.85Å; W484-F518 AromaticContact CD2-CE1 3.79Å; W484-F518 HydrophobicContact CD2-CE1 3.79Å; W484-F518 HydrophobicContact CD2-CE2 4.1Å; W484-F518 AromaticContact CD2-CG 3.56Å; W484-F518 HydrophobicContact CD2-CG 3.56Å; W484-F518 HydrophobicContact CD2-CZ 4.06Å; W484-F518 AromaticContact CE2-CD1 3.85Å; W484-F518 AromaticContact CE2-CD2 3.62Å; W484-F518 AromaticContact CE2-CE1 3.68Å; W484-F518 AromaticContact CE2-CE2 3.45Å; W484-F518 VanDerWaalsContact CE2-CE2 3.45Å; W484-F518 AromaticContact CE2-CG 3.83Å; W484-F518 AromaticContact CE2-CZ 3.46Å; W484-F518 VanDerWaalsContact CE2-CZ 3.46Å; W484-F518 HydrophobicContact CE3-CB 3.63Å; W484-F518 AromaticContact CE3-CD1 3.97Å; W484-F518 HydrophobicContact CE3-CD1 3.97Å; W484-F518 AromaticContact CE3-CD2 3.89Å; W484-F518 HydrophobicContact CE3-CD2 3.89Å; W484-F518 AromaticContact CE3-CG 3.56Å; W484-F518 HydrophobicContact CE3-CG 3.56Å; W484-F518 AromaticContact CG-CD1 3.66Å; W484-F518 HydrophobicContact CG-CD1 3.66Å; W484-F518 AromaticContact CG-CE1 3.74Å; W484-F518 HydrophobicContact CG-CE1 3.74Å; W484-F518 HydrophobicContact CG-CG 4.2Å; W484-F518 HydrophobicContact CG-CZ 4.34Å; W484-F518 AromaticContact CH2-CD2 3.55Å; W484-F518 HydrophobicContact CH2-CD2 3.55Å; W484-F518 AromaticContact CH2-CE2 3.9Å; W484-F518 HydrophobicContact CH2-CE2 3.9Å; W484-F518 HydrophobicContact CH2-CG 4.12Å; W484-F518 AromaticContact CZ2-CD2 3.47Å; W484-F518 HydrophobicContact CZ2-CD2 3.47Å; W484-F518 VanDerWaalsContact CZ2-CD2 3.47Å; W484-F518 HydrophobicContact CZ2-CE1 4.42Å; W484-F518 AromaticContact CZ2-CE2 3.33Å; W484-F518 HydrophobicContact CZ2-CE2 3.33Å; W484-F518 HydrophobicContact CZ2-CG 4.1Å; W484-F518 AromaticContact CZ2-CZ 3.84Å; W484-F518 HydrophobicContact CZ2-CZ 3.84Å; W484-F518 HydrophobicContact CZ3-CB 3.87Å; W484-F518 AromaticContact CZ3-CD2 3.75Å; W484-F518 HydrophobicContact CZ3-CD2 3.75Å; W484-F518 HydrophobicContact CZ3-CE2 4.46Å; W484-F518 AromaticContact CZ3-CG 3.85Å; W484-F518 HydrophobicContact CZ3-CG 3.85Å; W484-F518 AromaticContact NE1-CE1 3.51Å; W484-F518 AromaticContact NE1-CE2 3.86Å; W484-F518 AromaticContact NE1-CZ 3.37Å |
| 485 | L | 96.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.2 | -46.6 | 174.2 | 176.7 | 62.2 | 0 | 0 | 0 | 110.2 | F362 W363 L366 V460 I481 Y482 V483 V489 F526 | F362-L485 HydrophobicContact CD1-CD1 4.06Å; F362-L485 HydrophobicContact CE1-CD1 3.8Å; W363-L485 HydrophobicContact CE3-CD2 3.92Å; W363-L485 HydrophobicContact CZ3-CD2 4.04Å; L366-L485 HydrophobicContact CD1-CD1 4.33Å; L366-L485 HydrophobicContact CD1-CD2 4.38Å; V460-L485 HydrophobicContact CB-CD2 4.14Å; I481-L485 HydrophobicContact CG2-CB 4.37Å; I481-L485 HydrophobicContact CG2-CD2 4.13Å; I481-L485 HydrophobicContact CG2-CG 4.42Å; Y482-L485 HydrophobicContact CD1-CB 4.46Å; Y482-L485 WeakPolarHBondContact O-CB 3.23Å; Y482-L485 PolarHBondContact O-N 2.74Å; V483-L485 VanDerWaalsContact C-N 3.33Å; V483-L485 PolarHBondContact O-N 2.92Å; L485-V489 VanDerWaalsContact O-CG2 3.27Å; L485-V489 WeakPolarHBondContact O-CG2 3.14Å; L485-V489 PolarHBondContact O-N 2.92Å; L485-F526 HydrophobicContact CB-CE2 4.22Å; L485-F526 HydrophobicContact CB-CZ 4.41Å; L485-F526 HydrophobicContact CD1-CB 4.44Å; L485-F526 HydrophobicContact CD1-CD1 4.09Å; L485-F526 HydrophobicContact CD1-CD2 3.56Å; L485-F526 HydrophobicContact CD1-CE1 4.19Å; L485-F526 HydrophobicContact CD1-CE2 3.69Å; L485-F526 HydrophobicContact CD1-CG 3.79Å; L485-F526 HydrophobicContact CD1-CZ 4.01Å |
| 486 | D | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.011 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.1 | -60.4 | 174.4 | 164.8 | 82 | 0 | 0 | 0 | 111.6 | Y307 H355 V359 I471 I481 Y482 V483 L488 V489 | Y307-D486 VanDerWaalsContact CD2-OD2 3.27Å; Y307-D486 WeakPolarHBondContact CD2-OD2 3.47Å; H355-D486 IonicContact CD2-OD1 3.51Å; H355-D486 PolarHBondContact CD2-OD1 3.33Å; H355-D486 PolarHBondContact CE1-O 2.82Å; H355-D486 PolarHBondContact NE2-O 2.82Å; H355-D486 IonicContact NE2-OD1 3.44Å; H355-D486 PolarHBondContact NE2-OD1 2.94Å; H355-D486 IonicContact NE2-OD2 2.95Å; V359-D486 HydrophobicContact CG1-CB 4.4Å; V359-D486 HydrophobicContact CG2-CB 4.43Å; V359-D486 WeakPolarHBondContact CG2-OD1 3.41Å; I471-D486 WeakPolarHBondContact CD1-OD1 3.42Å; I481-D486 HydrophobicContact CG2-CB 4.42Å; Y482-D486 PolarHBondContact O-N 3.1Å; V483-D486 WeakPolarHBondContact O-CB 3.5Å; V483-D486 PolarHBondContact O-N 2.86Å; D486-L488 VanDerWaalsContact C-N 3.26Å; D486-L488 PolarHBondContact O-N 3.14Å; D486-L488 VanDerWaalsContact O-N 3.14Å; D486-V489 WeakPolarHBondContact O-CB 3.46Å; D486-V489 PolarHBondContact O-N 3.33Å |
| 487 | A | 94.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 13.3 Ų | 13.3 | 6% | 0.058 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -53.7 | -40.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | L263 D305 V483 V489 N490 | L263-A487 HydrophobicContact CD1-CB 4.19Å; L263-A487 WeakPolarHBondContact CD1-O 3.49Å; D305-A487 HydrophobicContact CB-CB 4.34Å; V483-A487 WeakPolarHBondContact O-CB 3.31Å; V483-A487 PolarHBondContact O-N 2.7Å; A487-V489 PolarHBondContact O-N 3.25Å; A487-N490 VanDerWaalsContact O-CB 3.25Å; A487-N490 WeakPolarHBondContact O-CB 3.28Å; A487-N490 VanDerWaalsContact O-CG 3.31Å; A487-N490 PolarHBondContact O-N 3.16Å; A487-N490 PolarHBondContact O-ND2 3.27Å |
| 488 | L | 95.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -70.4 | -30.2 | 178.3 | -71.7 | 167.5 | 0 | 0 | 0 | 113.6 | W484 D486 N490 Y491 W523 F526 | W484-L488 VanDerWaalsContact O-CB 3.26Å; W484-L488 WeakPolarHBondContact O-CB 3.47Å; W484-L488 WeakPolarHBondContact O-CD1 3.21Å; W484-L488 WeakPolarHBondContact O-CG 3.18Å; W484-L488 PolarHBondContact O-N 3.34Å; W484-L488 VanDerWaalsContact O-N 3.1Å; D486-L488 VanDerWaalsContact C-N 3.26Å; D486-L488 PolarHBondContact O-N 3.14Å; D486-L488 VanDerWaalsContact O-N 3.14Å; L488-N490 PolarHBondContact O-N 2.86Å; L488-N490 VanDerWaalsContact O-N 3.17Å; L488-Y491 HydrophobicContact CD2-CE2 3.97Å; L488-Y491 WeakPolarHBondContact O-CD2 3.32Å; L488-Y491 PolarHBondContact O-N 2.88Å; L488-W523 HydrophobicContact CB-CD2 3.95Å; L488-W523 HydrophobicContact CB-CE3 3.57Å; L488-W523 HydrophobicContact CB-CG 4.44Å; L488-W523 HydrophobicContact CB-CZ3 3.95Å; L488-W523 HydrophobicContact CD1-CB 3.71Å; L488-W523 HydrophobicContact CD1-CE3 4.26Å; L488-W523 HydrophobicContact CD1-CG 4.36Å; L488-W523 HydrophobicContact CD2-CB 3.9Å; L488-W523 HydrophobicContact CD2-CD2 4.4Å; L488-W523 HydrophobicContact CD2-CG 4.04Å; L488-W523 HydrophobicContact CG-CB 4.29Å; L488-W523 HydrophobicContact CG-CE3 4.4Å; L488-W523 WeakPolarHBondContact O-CH2 3.37Å; L488-W523 WeakPolarHBondContact O-CZ2 3.34Å; L488-F526 HydrophobicContact CD1-CD2 4.09Å; L488-F526 HydrophobicContact CD1-CE2 4.02Å |
| 489 | V | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.7 | -12.6 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | A358 V359 F362 L485 D486 A487 Y491 L492 T493 W523 | A358-V489 HydrophobicContact CB-CG1 4.02Å; V359-V489 HydrophobicContact CG2-CB 3.92Å; V359-V489 HydrophobicContact CG2-CG1 3.74Å; F362-V489 HydrophobicContact CB-CG1 4.39Å; F362-V489 HydrophobicContact CB-CG2 4.09Å; F362-V489 HydrophobicContact CD1-CG2 3.68Å; F362-V489 HydrophobicContact CD2-CG2 4.2Å; F362-V489 HydrophobicContact CE1-CG2 4.12Å; F362-V489 HydrophobicContact CG-CG2 3.72Å; L485-V489 VanDerWaalsContact O-CG2 3.27Å; L485-V489 WeakPolarHBondContact O-CG2 3.14Å; L485-V489 PolarHBondContact O-N 2.92Å; D486-V489 WeakPolarHBondContact O-CB 3.46Å; D486-V489 PolarHBondContact O-N 3.33Å; A487-V489 PolarHBondContact O-N 3.25Å; V489-Y491 PolarHBondContact O-N 3.32Å; V489-L492 WeakPolarHBondContact O-CB 3.32Å; V489-L492 PolarHBondContact O-N 3.16Å; V489-T493 PolarHBondContact O-N 2.83Å; V489-T493 PolarHBondContact O-OG1 2.97Å; V489-W523 HydrophobicContact CG2-CZ3 4.28Å |
| 490 | N | 94.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -54.6 | -38.4 | 174.9 | 94.4 | 90.1 | 0 | 0 | 0 | 111.5 | L263 I348 H355 A487 L488 L492 T493 V494 | L263-N490 HydrophobicContact CD1-CB 3.69Å; L263-N490 HydrophobicContact CD2-CB 4.36Å; L263-N490 HydrophobicContact CG-CB 4.29Å; I348-N490 HydrophobicContact CD1-CB 4.27Å; I348-N490 HydrophobicContact CG2-CB 4.25Å; H355-N490 PolarHBondContact CE1-N 3.16Å; H355-N490 VanDerWaalsContact CE1-N 3.29Å; A487-N490 VanDerWaalsContact O-CB 3.25Å; A487-N490 WeakPolarHBondContact O-CB 3.28Å; A487-N490 VanDerWaalsContact O-CG 3.31Å; A487-N490 PolarHBondContact O-N 3.16Å; A487-N490 PolarHBondContact O-ND2 3.27Å; L488-N490 PolarHBondContact O-N 2.86Å; L488-N490 VanDerWaalsContact O-N 3.17Å; N490-L492 VanDerWaalsContact C-N 3.3Å; N490-L492 PolarHBondContact O-N 3.01Å; N490-T493 WeakPolarHBondContact O-CA 3.49Å; N490-T493 VanDerWaalsContact O-CB 3.25Å; N490-T493 WeakPolarHBondContact O-CB 3.49Å; N490-T493 PolarHBondContact O-N 2.85Å; N490-V494 WeakPolarHBondContact O-CG2 3.37Å; N490-V494 PolarHBondContact O-N 2.98Å |
| 491 | Y | 93 | Very high | 93.8 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.7 | -36.8 | 179.5 | -62.3 | -49.3 | 0 | 0 | 0 | 112.3 | L260 L488 V489 V494 A495 H509 H519 W523 | L260-Y491 HydrophobicContact CB-CD1 3.73Å; L260-Y491 HydrophobicContact CB-CE1 3.87Å; L260-Y491 HydrophobicContact CD1-CD1 3.71Å; L260-Y491 HydrophobicContact CD1-CG 3.96Å; L260-Y491 HydrophobicContact CG-CD1 4.29Å; L488-Y491 HydrophobicContact CD2-CE2 3.97Å; L488-Y491 WeakPolarHBondContact O-CD2 3.32Å; L488-Y491 PolarHBondContact O-N 2.88Å; V489-Y491 PolarHBondContact O-N 3.32Å; Y491-V494 WeakPolarHBondContact O-CG2 3.37Å; Y491-A495 WeakPolarHBondContact O-CB 3.4Å; Y491-A495 PolarHBondContact O-N 2.92Å; Y491-H509 AromaticContact CD1-CE1 3.91Å; Y491-H509 AromaticContact CD2-CE1 3.53Å; Y491-H509 AromaticContact CE1-CE1 3.99Å; Y491-H509 AromaticContact CE1-ND1 3.85Å; Y491-H509 AromaticContact CE2-CE1 3.63Å; Y491-H509 AromaticContact CE2-ND1 3.86Å; Y491-H509 AromaticContact CG-CE1 3.67Å; Y491-H509 AromaticContact CZ-CE1 3.86Å; Y491-H509 AromaticContact CZ-ND1 3.67Å; Y491-H519 AromaticContact CE2-CD2 3.86Å; Y491-H519 AromaticContact CE2-NE2 3.49Å; Y491-H519 WeakPolarHBondContact CE2-NE2 3.28Å; Y491-H519 AromaticContact CZ-NE2 3.58Å; Y491-H519 PolarHBondContact OH-NE2 3.18Å; Y491-W523 HydrophobicContact CD2-CZ2 4.41Å |
| 492 | L | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -72.3 | -37.5 | 171.9 | -66.4 | 176.1 | 0 | 0 | 0 | 111 | F362 V489 N490 V494 A495 G496 Y497 L501 W504 W523 L527 L532 | F362-L492 HydrophobicContact CD2-CD1 3.74Å; F362-L492 HydrophobicContact CE2-CD1 3.62Å; V489-L492 WeakPolarHBondContact O-CB 3.32Å; V489-L492 PolarHBondContact O-N 3.16Å; N490-L492 VanDerWaalsContact C-N 3.3Å; N490-L492 PolarHBondContact O-N 3.01Å; L492-V494 PolarHBondContact O-N 3.44Å; L492-A495 CarbonylContact O-C 3.46Å; L492-A495 WeakPolarHBondContact O-CA 3.18Å; L492-A495 WeakPolarHBondContact O-CB 3.42Å; L492-A495 PolarHBondContact O-N 2.51Å; L492-A495 VanDerWaalsContact O-N 3.15Å; L492-G496 PolarHBondContact O-N 3.2Å; L492-Y497 HydrophobicContact CB-CD1 4.18Å; L492-Y497 HydrophobicContact CB-CG 3.92Å; L492-Y497 HydrophobicContact CD1-CG 4.47Å; L492-Y497 WeakPolarHBondContact O-CB 3.49Å; L492-Y497 PolarHBondContact O-N 2.96Å; L492-L501 HydrophobicContact CD2-CD1 3.94Å; L492-W504 HydrophobicContact CD2-CD2 3.73Å; L492-W504 HydrophobicContact CD2-CE3 3.74Å; L492-W504 HydrophobicContact CD2-CH2 3.8Å; L492-W504 HydrophobicContact CD2-CZ2 3.77Å; L492-W504 HydrophobicContact CD2-CZ3 3.76Å; L492-W504 HydrophobicContact CG-CH2 4.4Å; L492-W504 HydrophobicContact CG-CZ3 4.43Å; L492-W523 HydrophobicContact CD1-CH2 3.62Å; L492-W523 HydrophobicContact CD1-CZ2 4.33Å; L492-W523 HydrophobicContact CG-CH2 3.76Å; L492-W523 HydrophobicContact CG-CZ2 4.02Å; L492-L527 HydrophobicContact CD1-CD2 4.37Å; L492-L527 HydrophobicContact CD2-CD2 4.4Å; L492-L532 HydrophobicContact CD1-CD1 3.65Å; L492-L532 HydrophobicContact CD2-CD1 3.96Å; L492-L532 HydrophobicContact CG-CD1 4.5Å |
| 493 | T | 94.6 | Very high | 92.3 | Very high | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61 | -45.6 | -178.9 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | I348 R354 H355 A358 V489 N490 A495 G496 | I348-T493 HydrophobicContact CD1-CG2 3.6Å; R354-T493 HydrophobicContact CB-CG2 4.49Å; R354-T493 HydrophobicContact CG-CG2 4Å; H355-T493 HydrophobicContact CB-CG2 4.05Å; H355-T493 PolarHBondContact ND1-OG1 2.72Å; A358-T493 HydrophobicContact CB-CG2 4.26Å; A358-T493 VanDerWaalsContact CB-OG1 3.31Å; A358-T493 WeakPolarHBondContact CB-OG1 3.48Å; V489-T493 PolarHBondContact O-N 2.83Å; V489-T493 PolarHBondContact O-OG1 2.97Å; N490-T493 WeakPolarHBondContact O-CA 3.49Å; N490-T493 VanDerWaalsContact O-CB 3.25Å; N490-T493 WeakPolarHBondContact O-CB 3.49Å; N490-T493 PolarHBondContact O-N 2.85Å; T493-A495 VanDerWaalsContact C-N 3.26Å; T493-A495 PolarHBondContact O-N 3.43Å; T493-G496 PolarHBondContact O-N 3.38Å; T493-G496 VanDerWaalsContact O-N 3.09Å |
| 494 | V | 91.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.6 | -27 | 177.1 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | L260 T301 I348 N490 Y491 L492 G496 | L260-V494 HydrophobicContact CD2-CG2 4.34Å; T301-V494 HydrophobicContact CG2-CB 4.22Å; T301-V494 HydrophobicContact CG2-CG1 4.44Å; T301-V494 HydrophobicContact CG2-CG2 3.62Å; T301-V494 WeakPolarHBondContact OG1-CG1 3.21Å; I348-V494 HydrophobicContact CB-CG1 3.88Å; I348-V494 HydrophobicContact CD1-CG1 3.74Å; I348-V494 HydrophobicContact CG1-CG1 4.4Å; I348-V494 HydrophobicContact CG2-CG1 3.91Å; N490-V494 WeakPolarHBondContact O-CG2 3.37Å; N490-V494 PolarHBondContact O-N 2.98Å; Y491-V494 WeakPolarHBondContact O-CG2 3.37Å; L492-V494 PolarHBondContact O-N 3.44Å; V494-G496 PolarHBondContact O-N 3.3Å |
| 495 | A | 90.2 | Very high | 91.8 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y491 L492 T493 Q500 L501 N502 W504 | Y491-A495 WeakPolarHBondContact O-CB 3.4Å; Y491-A495 PolarHBondContact O-N 2.92Å; L492-A495 CarbonylContact O-C 3.46Å; L492-A495 WeakPolarHBondContact O-CA 3.18Å; L492-A495 WeakPolarHBondContact O-CB 3.42Å; L492-A495 PolarHBondContact O-N 2.51Å; L492-A495 VanDerWaalsContact O-N 3.15Å; T493-A495 VanDerWaalsContact C-N 3.26Å; T493-A495 PolarHBondContact O-N 3.43Å; A495-Q500 VanDerWaalsContact O-O 3.12Å; A495-L501 HydrophobicContact CB-CD1 3.74Å; A495-N502 WeakPolarHBondContact CB-O 3.45Å; A495-N502 PolarHBondContact O-N 3.45Å; A495-N502 VanDerWaalsContact O-O 3.09Å; A495-W504 HydrophobicContact CB-CE3 4.27Å |
| 496 | G | 91.6 | Very high | 91.4 | Very high | 27 Ų | 27 | 33 Ų | 33 | 28% | 0.278 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | 9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L492 T493 V494 D499 Q500 | L492-G496 PolarHBondContact O-N 3.2Å; T493-G496 PolarHBondContact O-N 3.38Å; T493-G496 VanDerWaalsContact O-N 3.09Å; V494-G496 PolarHBondContact O-N 3.3Å; G496-D499 PolarHBondContact O-N 3.35Å; G496-Q500 CarbonylContact C-O 3.58Å; G496-Q500 VanDerWaalsContact CA-O 3.24Å; G496-Q500 WeakPolarHBondContact CA-O 3.44Å; G496-Q500 CarbonylContact O-C 3.59Å; G496-Q500 PolarHBondContact O-N 2.8Å; G496-Q500 VanDerWaalsContact O-O 3.07Å |
| 497 | Y | 94.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 34.3 Ų | 34.3 | 9% | 0.094 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 142.1 | 173.7 | -172.6 | -94 | 0 | 0 | 0 | 111.8 | A358 H361 F362 L492 | A358-Y497 HydrophobicContact CB-CD1 4Å; H361-Y497 HydrophobicContact CB-CE1 4.32Å; H361-Y497 AromaticContact CD2-CE1 3.98Å; H361-Y497 AromaticContact CD2-CZ 3.64Å; H361-Y497 PolarHBondContact CD2-OH 3.34Å; F362-Y497 HydrophobicContact CB-CE1 4.07Å; F362-Y497 HydrophobicContact CD2-CE1 4.17Å; L492-Y497 HydrophobicContact CB-CD1 4.18Å; L492-Y497 HydrophobicContact CB-CG 3.92Å; L492-Y497 HydrophobicContact CD1-CG 4.47Å; L492-Y497 WeakPolarHBondContact O-CB 3.49Å; L492-Y497 PolarHBondContact O-N 2.96Å |
| 498 | P | 96.1 | Very high | 91 | Very high | 35 Ų | 35 | 34 Ų | 34 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.2 | -6 | 4.5 | 36.9 | -34.6 | 0 | 0 | 0 | 114.8 | H361 | H361-P498 HydrophobicContact CB-CB 3.86Å; H361-P498 HydrophobicContact CB-CG 3.88Å; H361-P498 VanDerWaalsContact CG-CB 3.41Å; H361-P498 WeakPolarHBondContact ND1-CB 3.45Å |
| 499 | D | 93.9 | Very high | 90.9 | Very high | 131 Ų | 131 | 33.9 Ų | 33.9 | 70% | 0.701 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -50.3 | -169.5 | -60 | -35.7 | 0 | 0 | 0 | 111.8 | R357 G496 | R357-D499 IonicContact NH2-OD2 3.3Å; G496-D499 PolarHBondContact O-N 3.35Å |
| 500 | Q | 88.7 | Confident | 90.9 | Very high | 127 Ų | 127 | 33.9 Ų | 33.9 | 59% | 0.593 | 17% | 0.174 | S | C | * | . | trans | -147 | 107.2 | 177 | -172.3 | -179.2 | -0.5 | 0 | 0 | 109.9 | A495 G496 N502 | A495-Q500 VanDerWaalsContact O-O 3.12Å; G496-Q500 CarbonylContact C-O 3.58Å; G496-Q500 VanDerWaalsContact CA-O 3.24Å; G496-Q500 WeakPolarHBondContact CA-O 3.44Å; G496-Q500 CarbonylContact O-C 3.59Å; G496-Q500 PolarHBondContact O-N 2.8Å; G496-Q500 VanDerWaalsContact O-O 3.07Å; Q500-N502 VanDerWaalsContact CD-OD1 3.27Å; Q500-N502 WeakPolarHBondContact CG-OD1 3.22Å; Q500-N502 PolarHBondContact NE2-OD1 2.71Å; Q500-N502 PolarHBondContact O-N 3.17Å; Q500-N502 PolarHBondContact O-ND2 2.7Å | ||
| 501 | L | 87.9 | Confident | 90.9 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | trans | -78.1 | 90.7 | 175.7 | -171.8 | 66.2 | 0 | 0 | 0 | 109.7 | L492 A495 W504 L532 | L492-L501 HydrophobicContact CD2-CD1 3.94Å; A495-L501 HydrophobicContact CB-CD1 3.74Å; L501-W504 HydrophobicContact CD1-CB 3.86Å; L501-W504 HydrophobicContact CD1-CD2 4.38Å; L501-W504 HydrophobicContact CD1-CG 4.06Å; L501-W504 HydrophobicContact CD2-CB 3.89Å; L501-W504 HydrophobicContact CD2-CG 3.83Å; L501-W504 HydrophobicContact CG-CB 3.69Å; L501-W504 HydrophobicContact CG-CG 4.11Å; L501-L532 HydrophobicContact CD2-CD2 3.8Å | ||
| 502 | N | 82.3 | Confident | 90.8 | Very high | 63 Ų | 63 | 33.9 Ų | 33.9 | 34% | 0.337 | 18% | 0.176 | S | C | . | . | trans | -86.2 | 152.1 | 171.1 | -60.3 | -54.4 | 0 | 0 | 0 | 108.3 | A495 Q500 W504 | A495-N502 WeakPolarHBondContact CB-O 3.45Å; A495-N502 PolarHBondContact O-N 3.45Å; A495-N502 VanDerWaalsContact O-O 3.09Å; Q500-N502 VanDerWaalsContact CD-OD1 3.27Å; Q500-N502 WeakPolarHBondContact CG-OD1 3.22Å; Q500-N502 PolarHBondContact NE2-OD1 2.71Å; Q500-N502 PolarHBondContact O-N 3.17Å; Q500-N502 PolarHBondContact O-ND2 2.7Å; N502-W504 PolarHBondContact O-N 3.25Å | ||
| 503 | R | 79.1 | Confident | 90.6 | Very high | 124 Ų | 124 | 36.5 Ų | 36.5 | 47% | 0.468 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 57.9 | 57.8 | 159.3 | -71.7 | -162.8 | -168.2 | 103.2 | 1.1 | 112 | E258 | E258-R503 HydrophobicContact CG-CB 4.25Å; E258-R503 WeakPolarHBondContact OE1-CA 3.05Å; E258-R503 WeakPolarHBondContact OE1-CB 3.3Å; E258-R503 WeakPolarHBondContact OE1-CD 3.47Å; E258-R503 WeakPolarHBondContact OE1-CG 3.35Å; E258-R503 WeakPolarHBondContact OE2-CA 3.33Å |
| 504 | W | 85.1 | Confident | 90.2 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | trans | -146.2 | 139.3 | 179.9 | -171.7 | -89.6 | 0 | 0 | 0 | 109.6 | L260 L492 A495 L501 N502 P506 W523 L527 P533 | L260-W504 HydrophobicContact CD1-CZ3 4.19Å; L492-W504 HydrophobicContact CD2-CD2 3.73Å; L492-W504 HydrophobicContact CD2-CE3 3.74Å; L492-W504 HydrophobicContact CD2-CH2 3.8Å; L492-W504 HydrophobicContact CD2-CZ2 3.77Å; L492-W504 HydrophobicContact CD2-CZ3 3.76Å; L492-W504 HydrophobicContact CG-CH2 4.4Å; L492-W504 HydrophobicContact CG-CZ3 4.43Å; A495-W504 HydrophobicContact CB-CE3 4.27Å; L501-W504 HydrophobicContact CD1-CB 3.86Å; L501-W504 HydrophobicContact CD1-CD2 4.38Å; L501-W504 HydrophobicContact CD1-CG 4.06Å; L501-W504 HydrophobicContact CD2-CB 3.89Å; L501-W504 HydrophobicContact CD2-CG 3.83Å; L501-W504 HydrophobicContact CG-CB 3.69Å; L501-W504 HydrophobicContact CG-CG 4.11Å; N502-W504 PolarHBondContact O-N 3.25Å; W504-P506 HydrophobicContact CH2-CG 4.17Å; W504-P506 HydrophobicContact CZ3-CG 4.11Å; W504-W523 AromaticContact CH2-CZ2 3.69Å; W504-W523 HydrophobicContact CH2-CZ2 3.69Å; W504-W523 HydrophobicContact CZ2-CZ2 4.18Å; W504-L527 HydrophobicContact CH2-CD1 4.48Å; W504-L527 HydrophobicContact CH2-CD2 4.34Å; W504-L527 HydrophobicContact CZ2-CD1 3.79Å; W504-L527 HydrophobicContact CZ2-CD2 3.59Å; W504-L527 HydrophobicContact CZ2-CG 4.35Å; W504-P533 PolarHBondContact NE1-O 3.26Å | ||
| 505 | P | 90.6 | Very high | 90.2 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 17% | 0.169 | 21% | 0.206 | C | C | . | . | S | Bend | cis | -80.2 | 159.5 | 2.2 | 32.7 | -34.7 | 0 | 0 | 0 | 113.9 | P533 L534 K536 | P505-P533 HydrophobicContact CB-CB 4.01Å; P505-P533 HydrophobicContact CG-CB 3.84Å; P505-L534 WeakPolarHBondContact CB-O 3.44Å; P505-K536 HydrophobicContact CG-CG 4.31Å |
| 506 | P | 88.9 | Confident | 90.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | trans | -66.2 | 146.8 | 178.4 | 29.2 | -36.9 | 0 | 0 | 0 | 112.2 | L260 W504 P535 K536 | L260-P506 HydrophobicContact CD1-CB 3.39Å; L260-P506 HydrophobicContact CD1-CG 3.68Å; L260-P506 HydrophobicContact CG-CB 3.64Å; L260-P506 HydrophobicContact CG-CG 4.41Å; W504-P506 HydrophobicContact CH2-CG 4.17Å; W504-P506 HydrophobicContact CZ3-CG 4.11Å; P506-P535 HydrophobicContact CG-CB 4.18Å; P506-P535 HydrophobicContact CG-CG 4.48Å; P506-K536 PolarHBondContact O-N 2.81Å; P506-K536 VanDerWaalsContact O-N 3.11Å | ||
| 507 | D | 88.9 | Confident | 90.4 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -72.6 | -32.7 | 175.9 | -64.6 | -66.8 | 0 | 0 | 0 | 112.1 | Y257 E258 K536 K537 | Y257-D507 WeakPolarHBondContact CA-OD2 3.03Å; Y257-D507 HydrophobicContact CD2-CB 3.86Å; Y257-D507 HydrophobicContact CE2-CB 3.62Å; E258-D507 PolarHBondContact N-OD2 2.82Å; E258-D507 WeakPolarHBondContact O-CB 3.41Å; E258-D507 PolarHBondContact O-N 2.86Å; D507-K536 WeakPolarHBondContact OD1-CD 3.36Å; D507-K536 IonicContact OD1-NZ 3.88Å; D507-K536 PolarHBondContact OD1-NZ 2.84Å; D507-K537 WeakPolarHBondContact O-CB 3.44Å; D507-K537 PolarHBondContact O-N 2.82Å |
| 508 | C | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 133.3 | 179.3 | -175.4 | 0 | 0 | 0 | 0 | 113.5 | E258 L259 L260 K537 | E258-C508 PolarHBondContact O-N 3.15Å; L259-C508 HydrophobicContact CD1-CB 3.57Å; L260-C508 PolarHBondContact N-O 3.44Å; C508-K537 CarbonylContact C-O 3.42Å; C508-K537 WeakPolarHBondContact CA-O 3.5Å; C508-K537 HydrophobicContact CB-CB 4.27Å |
| 509 | H | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 133 | 160.1 | -71.7 | -66.7 | 0 | 0 | 0 | 110.7 | L260 Y491 V511 W523 P535 K537 V538 F539 | L260-H509 WeakPolarHBondContact O-CA 3.47Å; L260-H509 PolarHBondContact O-ND1 3.16Å; Y491-H509 AromaticContact CD1-CE1 3.91Å; Y491-H509 AromaticContact CD2-CE1 3.53Å; Y491-H509 AromaticContact CE1-CE1 3.99Å; Y491-H509 AromaticContact CE1-ND1 3.85Å; Y491-H509 AromaticContact CE2-CE1 3.63Å; Y491-H509 AromaticContact CE2-ND1 3.86Å; Y491-H509 AromaticContact CG-CE1 3.67Å; Y491-H509 AromaticContact CZ-CE1 3.86Å; Y491-H509 AromaticContact CZ-ND1 3.67Å; H509-V511 HydrophobicContact CB-CG1 4.36Å; H509-W523 AromaticContact NE2-NE1 3.72Å; H509-P535 WeakPolarHBondContact NE2-CG 3.42Å; H509-K537 PolarHBondContact N-O 3Å; H509-V538 HydrophobicContact CB-CG1 4.49Å; H509-V538 HydrophobicContact CB-CG2 4.39Å; H509-V538 CarbonylContact O-C 3.58Å; H509-F539 PolarHBondContact O-N 2.99Å |
| 510 | V | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 117 | 173.9 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | L259 L260 L262 T277 I280 A281 F539 M660 | L259-V510 HydrophobicContact CD1-CG2 3.8Å; L259-V510 HydrophobicContact CG-CG2 4.49Å; L260-V510 PolarHBondContact O-N 3.24Å; L262-V510 PolarHBondContact N-O 3.49Å; T277-V510 HydrophobicContact CG2-CG1 4.19Å; I280-V510 HydrophobicContact CB-CG1 4.16Å; I280-V510 HydrophobicContact CG2-CG1 3.73Å; A281-V510 HydrophobicContact CB-CB 4.18Å; A281-V510 HydrophobicContact CB-CG1 4.44Å; A281-V510 HydrophobicContact CB-CG2 3.88Å; V510-F539 WeakPolarHBondContact CA-O 3.29Å; V510-F539 HydrophobicContact CG1-CD1 4.25Å; V510-M660 HydrophobicContact CG2-CE 3.68Å |
| 511 | V | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 148.3 | -171.3 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | H509 I515 L516 H519 V538 F539 C540 H541 | H509-V511 HydrophobicContact CB-CG1 4.36Å; V511-I515 HydrophobicContact CB-CD1 3.97Å; V511-I515 HydrophobicContact CB-CG1 4.18Å; V511-I515 HydrophobicContact CG1-CD1 4.2Å; V511-L516 HydrophobicContact CG2-CD1 4.07Å; V511-H519 HydrophobicContact CG1-CB 4.23Å; V511-V538 HydrophobicContact CG2-CG1 3.64Å; V511-F539 PolarHBondContact N-O 2.82Å; V511-C540 HydrophobicContact CG2-CB 4.39Å; V511-C540 CarbonylContact O-C 3.58Å; V511-C540 VanDerWaalsContact O-CA 3.32Å; V511-C540 WeakPolarHBondContact O-CA 3.22Å; V511-H541 PolarHBondContact O-CD2 2.77Å; V511-H541 PolarHBondContact O-N 2.72Å |
| 512 | G | 92 | Very high | 91.2 | Very high | 4 Ų | 4 | 22 Ų | 22 | 4% | 0.041 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 151 | 167 | 0 | 0 | 0 | 0 | 0 | 112.1 | D514 I515 | G512-D514 PolarHBondContact O-N 3.49Å; G512-D514 VanDerWaalsContact O-N 3.13Å; G512-I515 WeakPolarHBondContact O-CG1 3.44Å; G512-I515 PolarHBondContact O-N 3.17Å |
| 513 | K | 90.4 | Very high | 92 | Very high | 54 Ų | 54 | 19 Ų | 19 | 24% | 0.235 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -59.3 | -23.3 | -177.7 | 66.4 | 175.4 | -179.7 | -176.1 | 0 | 115.4 | Y444 I515 C540 H541 H543 D586 | Y444-K513 HydrophobicContact CE1-CB 3.95Å; K513-I515 VanDerWaalsContact C-N 3.34Å; K513-C540 VanDerWaalsContact CA-SG 3.52Å; K513-H541 PolarHBondContact N-O 3.48Å; K513-H543 WeakPolarHBondContact CE-ND1 3.5Å; K513-D586 WeakPolarHBondContact CE-OD1 3.44Å; K513-D586 IonicContact NZ-OD1 3.63Å; K513-D586 PolarHBondContact NZ-OD1 3.17Å; K513-D586 IonicContact NZ-OD2 2.73Å; K513-D586 PolarHBondContact NZ-OD2 3.08Å |
| 514 | D | 86 | Confident | 92.9 | Very high | 82 Ų | 82 | 13.1 Ų | 13.1 | 44% | 0.439 | 7% | 0.066 | S | C | . | . | G | 310 helix | trans | -68.2 | -32.1 | 179.3 | 49.5 | -48 | 0 | 0 | 0 | 113.2 | Q405 G512 H543 | Q405-D514 PolarHBondContact NE2-O 3.45Å; Q405-D514 VanDerWaalsContact NE2-O 3.09Å; G512-D514 PolarHBondContact O-N 3.49Å; G512-D514 VanDerWaalsContact O-N 3.13Å; D514-H543 IonicContact OD1-CD2 3.25Å; D514-H543 IonicContact OD1-CE1 3.35Å; D514-H543 IonicContact OD1-NE2 3.48Å; D514-H543 PolarHBondContact OD1-NE2 3.34Å |
| 515 | I | 90.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 11.5 Ų | 11.5 | 7% | 0.072 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -107.8 | 9.7 | -174.6 | 60 | 155 | 0 | 0 | 0 | 113.1 | L262 W484 V511 G512 K513 K517 F518 H519 | L262-I515 HydrophobicContact CD1-CD1 3.16Å; L262-I515 HydrophobicContact CD2-CD1 3.29Å; L262-I515 HydrophobicContact CD2-CG1 4.49Å; L262-I515 HydrophobicContact CG-CD1 3.75Å; W484-I515 HydrophobicContact CH2-CB 3.9Å; W484-I515 HydrophobicContact CH2-CG2 3.5Å; W484-I515 VanDerWaalsContact CH2-CG2 3.5Å; W484-I515 HydrophobicContact CZ2-CG2 3.99Å; V511-I515 HydrophobicContact CB-CD1 3.97Å; V511-I515 HydrophobicContact CB-CG1 4.18Å; V511-I515 HydrophobicContact CG1-CD1 4.2Å; G512-I515 WeakPolarHBondContact O-CG1 3.44Å; G512-I515 PolarHBondContact O-N 3.17Å; K513-I515 VanDerWaalsContact C-N 3.34Å; I515-K517 PolarHBondContact O-N 3.49Å; I515-F518 HydrophobicContact CB-CD2 3.86Å; I515-F518 HydrophobicContact CB-CE2 4.43Å; I515-F518 HydrophobicContact CG2-CD2 4.21Å; I515-F518 HydrophobicContact CG2-CE2 4.35Å; I515-F518 WeakPolarHBondContact O-CD2 3.37Å; I515-F518 PolarHBondContact O-N 3.31Å; I515-F518 VanDerWaalsContact O-N 3.09Å; I515-H519 PolarHBondContact O-ND1 3.17Å |
| 516 | L | 93.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57.5 | -36.5 | -176.9 | -176 | 63.7 | 0 | 0 | 0 | 112.1 | I439 Y444 L447 L448 V511 F518 H519 G520 V538 C540 | I439-L516 HydrophobicContact CD1-CD1 4.46Å; Y444-L516 HydrophobicContact CG-CD2 4.39Å; L447-L516 HydrophobicContact CD2-CD2 4.41Å; L448-L516 HydrophobicContact CD1-CD1 4.39Å; L448-L516 HydrophobicContact CD1-CD2 4.08Å; L448-L516 HydrophobicContact CD1-CG 3.98Å; L448-L516 HydrophobicContact CD2-CD2 4.19Å; L448-L516 HydrophobicContact CD2-CG 3.88Å; L448-L516 HydrophobicContact CG-CD2 4Å; L448-L516 HydrophobicContact CG-CG 4.11Å; V511-L516 HydrophobicContact CG2-CD1 4.07Å; L516-F518 VanDerWaalsContact C-N 3.25Å; L516-F518 PolarHBondContact O-N 3.08Å; L516-H519 PolarHBondContact O-N 3.16Å; L516-G520 WeakPolarHBondContact O-CA 3.28Å; L516-G520 PolarHBondContact O-N 2.85Å; L516-V538 HydrophobicContact CD1-CG1 3.92Å; L516-C540 HydrophobicContact CD1-CB 3.93Å; L516-C540 HydrophobicContact CD2-CB 4.5Å |
| 517 | K | 92.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 10.2 Ų | 10.2 | 5% | 0.048 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.8 | -35.6 | 178.9 | 75.4 | -179.5 | -177.5 | -174.1 | 0 | 113.1 | L448 Q451 I515 I521 F522 | L448-K517 HydrophobicContact CD2-CB 4.44Å; Q451-K517 VanDerWaalsContact OE1-CB 3.28Å; I515-K517 PolarHBondContact O-N 3.49Å; K517-I521 WeakPolarHBondContact O-CB 3.37Å; K517-I521 PolarHBondContact O-N 3.34Å; K517-F522 PolarHBondContact O-N 3.35Å |
| 518 | F | 94.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 11 Ų | 11 | 3% | 0.026 | 6% | 0.055 | C | C | . | . | I | π-helix | trans | -71.6 | -35.9 | -178.8 | -53.8 | -71.3 | 0 | 0 | 0 | 111.1 | W484 I515 L516 F522 W523 | W484-F518 HydrophobicContact CB-CD1 4.24Å; W484-F518 AromaticContact CD1-CE1 3.62Å; W484-F518 AromaticContact CD1-CZ 3.98Å; W484-F518 HydrophobicContact CD2-CB 4.13Å; W484-F518 AromaticContact CD2-CD1 3.53Å; W484-F518 HydrophobicContact CD2-CD1 3.53Å; W484-F518 AromaticContact CD2-CD2 3.85Å; W484-F518 HydrophobicContact CD2-CD2 3.85Å; W484-F518 AromaticContact CD2-CE1 3.79Å; W484-F518 HydrophobicContact CD2-CE1 3.79Å; W484-F518 HydrophobicContact CD2-CE2 4.1Å; W484-F518 AromaticContact CD2-CG 3.56Å; W484-F518 HydrophobicContact CD2-CG 3.56Å; W484-F518 HydrophobicContact CD2-CZ 4.06Å; W484-F518 AromaticContact CE2-CD1 3.85Å; W484-F518 AromaticContact CE2-CD2 3.62Å; W484-F518 AromaticContact CE2-CE1 3.68Å; W484-F518 AromaticContact CE2-CE2 3.45Å; W484-F518 VanDerWaalsContact CE2-CE2 3.45Å; W484-F518 AromaticContact CE2-CG 3.83Å; W484-F518 AromaticContact CE2-CZ 3.46Å; W484-F518 VanDerWaalsContact CE2-CZ 3.46Å; W484-F518 HydrophobicContact CE3-CB 3.63Å; W484-F518 AromaticContact CE3-CD1 3.97Å; W484-F518 HydrophobicContact CE3-CD1 3.97Å; W484-F518 AromaticContact CE3-CD2 3.89Å; W484-F518 HydrophobicContact CE3-CD2 3.89Å; W484-F518 AromaticContact CE3-CG 3.56Å; W484-F518 HydrophobicContact CE3-CG 3.56Å; W484-F518 AromaticContact CG-CD1 3.66Å; W484-F518 HydrophobicContact CG-CD1 3.66Å; W484-F518 AromaticContact CG-CE1 3.74Å; W484-F518 HydrophobicContact CG-CE1 3.74Å; W484-F518 HydrophobicContact CG-CG 4.2Å; W484-F518 HydrophobicContact CG-CZ 4.34Å; W484-F518 AromaticContact CH2-CD2 3.55Å; W484-F518 HydrophobicContact CH2-CD2 3.55Å; W484-F518 AromaticContact CH2-CE2 3.9Å; W484-F518 HydrophobicContact CH2-CE2 3.9Å; W484-F518 HydrophobicContact CH2-CG 4.12Å; W484-F518 AromaticContact CZ2-CD2 3.47Å; W484-F518 HydrophobicContact CZ2-CD2 3.47Å; W484-F518 VanDerWaalsContact CZ2-CD2 3.47Å; W484-F518 HydrophobicContact CZ2-CE1 4.42Å; W484-F518 AromaticContact CZ2-CE2 3.33Å; W484-F518 HydrophobicContact CZ2-CE2 3.33Å; W484-F518 HydrophobicContact CZ2-CG 4.1Å; W484-F518 AromaticContact CZ2-CZ 3.84Å; W484-F518 HydrophobicContact CZ2-CZ 3.84Å; W484-F518 HydrophobicContact CZ3-CB 3.87Å; W484-F518 AromaticContact CZ3-CD2 3.75Å; W484-F518 HydrophobicContact CZ3-CD2 3.75Å; W484-F518 HydrophobicContact CZ3-CE2 4.46Å; W484-F518 AromaticContact CZ3-CG 3.85Å; W484-F518 HydrophobicContact CZ3-CG 3.85Å; W484-F518 AromaticContact NE1-CE1 3.51Å; W484-F518 AromaticContact NE1-CE2 3.86Å; W484-F518 AromaticContact NE1-CZ 3.37Å; I515-F518 HydrophobicContact CB-CD2 3.86Å; I515-F518 HydrophobicContact CB-CE2 4.43Å; I515-F518 HydrophobicContact CG2-CD2 4.21Å; I515-F518 HydrophobicContact CG2-CE2 4.35Å; I515-F518 WeakPolarHBondContact O-CD2 3.37Å; I515-F518 PolarHBondContact O-N 3.31Å; I515-F518 VanDerWaalsContact O-N 3.09Å; L516-F518 VanDerWaalsContact C-N 3.25Å; L516-F518 PolarHBondContact O-N 3.08Å; F518-F522 AromaticContact CD1-CD2 3.6Å; F518-F522 HydrophobicContact CD1-CD2 3.6Å; F518-F522 AromaticContact CD1-CE2 3.83Å; F518-F522 HydrophobicContact CD1-CE2 3.83Å; F518-F522 HydrophobicContact CE1-CD2 4.15Å; F518-F522 AromaticContact CE1-CE2 3.91Å; F518-F522 HydrophobicContact CE1-CE2 3.91Å; F518-W523 WeakPolarHBondContact O-CB 3.25Å; F518-W523 PolarHBondContact O-N 3.09Å |
| 519 | H | 95.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | I | π-helix | trans | -90.5 | -27 | -179.2 | -68.4 | 76 | 0 | 0 | 0 | 113.9 | L262 Y491 V511 I515 L516 P524 V538 | L262-H519 VanDerWaalsContact CD1-CE1 3.47Å; L262-H519 WeakPolarHBondContact CD1-CE1 3.45Å; Y491-H519 AromaticContact CE2-CD2 3.86Å; Y491-H519 AromaticContact CE2-NE2 3.49Å; Y491-H519 WeakPolarHBondContact CE2-NE2 3.28Å; Y491-H519 AromaticContact CZ-NE2 3.58Å; Y491-H519 PolarHBondContact OH-NE2 3.18Å; V511-H519 HydrophobicContact CG1-CB 4.23Å; I515-H519 PolarHBondContact O-ND1 3.17Å; L516-H519 PolarHBondContact O-N 3.16Å; H519-P524 WeakPolarHBondContact O-CD 3.18Å; H519-V538 HydrophobicContact CB-CG1 4.34Å |
| 520 | G | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -95 | -19.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L516 | L516-G520 WeakPolarHBondContact O-CA 3.28Å; L516-G520 PolarHBondContact O-N 2.85Å |
| 521 | I | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -126 | -61.4 | -179.1 | -53.6 | 174.7 | 0 | 0 | 0 | 111.7 | L426 L448 Q451 I452 L455 K517 A525 | L426-I521 HydrophobicContact CD2-CG2 3.88Å; L448-I521 HydrophobicContact CB-CD1 4.28Å; L448-I521 HydrophobicContact CB-CG1 4.39Å; L448-I521 HydrophobicContact CD2-CD1 3.92Å; L448-I521 HydrophobicContact CD2-CG1 3.92Å; Q451-I521 HydrophobicContact CB-CD1 4.01Å; I452-I521 HydrophobicContact CB-CD1 4.4Å; I452-I521 HydrophobicContact CG1-CG2 4.38Å; L455-I521 HydrophobicContact CD1-CD1 3.85Å; L455-I521 HydrophobicContact CD1-CG2 3.73Å; K517-I521 WeakPolarHBondContact O-CB 3.37Å; K517-I521 PolarHBondContact O-N 3.34Å; I521-A525 WeakPolarHBondContact O-CB 3.28Å; I521-A525 PolarHBondContact O-N 2.85Å; I521-A525 VanDerWaalsContact O-N 3.08Å |
| 522 | F | 96.8 | Very high | 95.5 | Very high | 13 Ų | 13 | 18.1 Ų | 18.1 | 6% | 0.057 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -67.5 | -47.2 | -171.6 | -66.2 | -1.7 | 0 | 0 | 0 | 111.7 | L422 L455 I458 K517 F518 A525 F526 | L422-F522 HydrophobicContact CD1-CD1 4.49Å; L422-F522 HydrophobicContact CD2-CD1 3.97Å; L422-F522 HydrophobicContact CD2-CE1 3.73Å; L455-F522 HydrophobicContact CD1-CE1 4Å; L455-F522 HydrophobicContact CD2-CE1 4.12Å; L455-F522 HydrophobicContact CD2-CZ 4.4Å; I458-F522 HydrophobicContact CD1-CD1 4.24Å; I458-F522 HydrophobicContact CD1-CD2 3.99Å; I458-F522 HydrophobicContact CD1-CE1 4.35Å; I458-F522 HydrophobicContact CD1-CE2 4.12Å; I458-F522 HydrophobicContact CD1-CG 4.08Å; I458-F522 HydrophobicContact CD1-CZ 4.3Å; I458-F522 HydrophobicContact CG2-CE1 4.27Å; I458-F522 HydrophobicContact CG2-CZ 4.06Å; K517-F522 PolarHBondContact O-N 3.35Å; F518-F522 AromaticContact CD1-CD2 3.6Å; F518-F522 HydrophobicContact CD1-CD2 3.6Å; F518-F522 AromaticContact CD1-CE2 3.83Å; F518-F522 HydrophobicContact CD1-CE2 3.83Å; F518-F522 HydrophobicContact CE1-CD2 4.15Å; F518-F522 AromaticContact CE1-CE2 3.91Å; F518-F522 HydrophobicContact CE1-CE2 3.91Å; F522-A525 WeakPolarHBondContact O-CB 3.43Å; F522-A525 PolarHBondContact O-N 3.01Å; F522-A525 VanDerWaalsContact O-N 3.16Å; F522-F526 HydrophobicContact CB-CE2 3.98Å; F522-F526 HydrophobicContact CB-CZ 4.16Å; F522-F526 WeakPolarHBondContact O-CD2 3.5Å; F522-F526 WeakPolarHBondContact O-CG 3.32Å; F522-F526 PolarHBondContact O-N 3.43Å |
| 523 | W | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.8 | -50.5 | -179.5 | -178.1 | -134.9 | 0 | 0 | 0 | 112.8 | F362 L488 V489 Y491 L492 W504 H509 F518 A525 F526 L527 | F362-W523 HydrophobicContact CZ-CZ3 4.18Å; L488-W523 HydrophobicContact CB-CD2 3.95Å; L488-W523 HydrophobicContact CB-CE3 3.57Å; L488-W523 HydrophobicContact CB-CG 4.44Å; L488-W523 HydrophobicContact CB-CZ3 3.95Å; L488-W523 HydrophobicContact CD1-CB 3.71Å; L488-W523 HydrophobicContact CD1-CE3 4.26Å; L488-W523 HydrophobicContact CD1-CG 4.36Å; L488-W523 HydrophobicContact CD2-CB 3.9Å; L488-W523 HydrophobicContact CD2-CD2 4.4Å; L488-W523 HydrophobicContact CD2-CG 4.04Å; L488-W523 HydrophobicContact CG-CB 4.29Å; L488-W523 HydrophobicContact CG-CE3 4.4Å; L488-W523 WeakPolarHBondContact O-CH2 3.37Å; L488-W523 WeakPolarHBondContact O-CZ2 3.34Å; V489-W523 HydrophobicContact CG2-CZ3 4.28Å; Y491-W523 HydrophobicContact CD2-CZ2 4.41Å; L492-W523 HydrophobicContact CD1-CH2 3.62Å; L492-W523 HydrophobicContact CD1-CZ2 4.33Å; L492-W523 HydrophobicContact CG-CH2 3.76Å; L492-W523 HydrophobicContact CG-CZ2 4.02Å; W504-W523 AromaticContact CH2-CZ2 3.69Å; W504-W523 HydrophobicContact CH2-CZ2 3.69Å; W504-W523 HydrophobicContact CZ2-CZ2 4.18Å; H509-W523 AromaticContact NE2-NE1 3.72Å; F518-W523 WeakPolarHBondContact O-CB 3.25Å; F518-W523 PolarHBondContact O-N 3.09Å; W523-A525 VanDerWaalsContact C-N 3.28Å; W523-A525 PolarHBondContact O-N 2.71Å; W523-F526 HydrophobicContact CE3-CB 4.01Å; W523-F526 HydrophobicContact CE3-CD2 4.14Å; W523-F526 HydrophobicContact CZ3-CB 4.28Å; W523-F526 PolarHBondContact O-N 3.02Å; W523-F526 VanDerWaalsContact O-N 3.14Å; W523-L527 HydrophobicContact CD2-CD1 4Å; W523-L527 HydrophobicContact CD2-CD2 4.42Å; W523-L527 HydrophobicContact CD2-CG 3.9Å; W523-L527 HydrophobicContact CE3-CD2 4.47Å; W523-L527 HydrophobicContact CE3-CG 4.12Å; W523-L527 HydrophobicContact CG-CD1 4.24Å; W523-L527 HydrophobicContact CH2-CD2 3.62Å; W523-L527 HydrophobicContact CH2-CG 4.13Å; W523-L527 HydrophobicContact CZ2-CD1 4.09Å; W523-L527 HydrophobicContact CZ2-CD2 3.51Å; W523-L527 HydrophobicContact CZ2-CG 3.9Å; W523-L527 HydrophobicContact CZ3-CD2 4.11Å; W523-L527 HydrophobicContact CZ3-CG 4.23Å; W523-L527 WeakPolarHBondContact O-CG 3.32Å; W523-L527 PolarHBondContact O-N 3.37Å |
| 524 | P | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.5 | -40.4 | 171.7 | -28.8 | 35 | 0 | 0 | 0 | 113.7 | V429 W432 H519 L527 L528 L534 | V429-P524 HydrophobicContact CG1-CB 4.33Å; V429-P524 HydrophobicContact CG2-CB 4.03Å; W432-P524 HydrophobicContact CE3-CB 4.29Å; W432-P524 HydrophobicContact CE3-CG 4.28Å; W432-P524 HydrophobicContact CH2-CB 4.28Å; W432-P524 HydrophobicContact CH2-CG 3.59Å; W432-P524 HydrophobicContact CZ3-CB 3.89Å; W432-P524 HydrophobicContact CZ3-CG 3.41Å; W432-P524 VanDerWaalsContact CZ3-CG 3.41Å; H519-P524 WeakPolarHBondContact O-CD 3.18Å; P524-L527 PolarHBondContact O-N 3.34Å; P524-L528 WeakPolarHBondContact O-CB 3.29Å; P524-L528 VanDerWaalsContact O-CG 3.26Å; P524-L528 WeakPolarHBondContact O-CG 3.44Å; P524-L528 PolarHBondContact O-N 2.94Å; P524-L534 HydrophobicContact CB-CD1 4.43Å; P524-L534 HydrophobicContact CB-CD2 3.81Å; P524-L534 WeakPolarHBondContact O-CD2 2.97Å |
| 525 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F420 L422 F425 V429 I521 F522 W523 L528 A529 | F420-A525 HydrophobicContact CE1-CB 4.02Å; F420-A525 HydrophobicContact CZ-CB 4.39Å; L422-A525 HydrophobicContact CD1-CB 3.37Å; F425-A525 HydrophobicContact CB-CB 3.9Å; V429-A525 HydrophobicContact CG2-CB 4.26Å; I521-A525 WeakPolarHBondContact O-CB 3.28Å; I521-A525 PolarHBondContact O-N 2.85Å; I521-A525 VanDerWaalsContact O-N 3.08Å; F522-A525 WeakPolarHBondContact O-CB 3.43Å; F522-A525 PolarHBondContact O-N 3.01Å; F522-A525 VanDerWaalsContact O-N 3.16Å; W523-A525 VanDerWaalsContact C-N 3.28Å; W523-A525 PolarHBondContact O-N 2.71Å; A525-L528 PolarHBondContact O-N 2.9Å; A525-A529 WeakPolarHBondContact O-CB 3.42Å; A525-A529 PolarHBondContact O-N 2.84Å |
| 526 | F | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.7 | -62.4 | -29.3 | 0 | 0 | 0 | 111.7 | F362 F420 I458 V460 L485 L488 F522 W523 A529 A530 | F362-F526 HydrophobicContact CE1-CB 4.02Å; F362-F526 HydrophobicContact CZ-CB 3.97Å; F362-F526 WeakPolarHBondContact CZ-O 3.41Å; F420-F526 AromaticContact CD1-CD1 3.92Å; F420-F526 HydrophobicContact CD1-CD1 3.92Å; F420-F526 AromaticContact CD1-CE1 3.57Å; F420-F526 HydrophobicContact CD1-CE1 3.57Å; F420-F526 HydrophobicContact CD2-CD1 4.35Å; F420-F526 HydrophobicContact CD2-CE1 4.42Å; F420-F526 AromaticContact CE1-CD1 3.64Å; F420-F526 HydrophobicContact CE1-CD1 3.64Å; F420-F526 AromaticContact CE1-CE1 3.76Å; F420-F526 HydrophobicContact CE1-CE1 3.76Å; F420-F526 HydrophobicContact CE2-CD1 4.11Å; F420-F526 HydrophobicContact CG-CD1 4.27Å; F420-F526 AromaticContact CG-CE1 3.93Å; F420-F526 HydrophobicContact CG-CE1 3.93Å; F420-F526 AromaticContact CZ-CD1 3.75Å; F420-F526 HydrophobicContact CZ-CD1 3.75Å; F420-F526 HydrophobicContact CZ-CE1 4.28Å; I458-F526 HydrophobicContact CD1-CE1 3.94Å; I458-F526 HydrophobicContact CD1-CZ 3.77Å; V460-F526 HydrophobicContact CG1-CE1 4.15Å; V460-F526 HydrophobicContact CG1-CZ 4.2Å; L485-F526 HydrophobicContact CB-CE2 4.22Å; L485-F526 HydrophobicContact CB-CZ 4.41Å; L485-F526 HydrophobicContact CD1-CB 4.44Å; L485-F526 HydrophobicContact CD1-CD1 4.09Å; L485-F526 HydrophobicContact CD1-CD2 3.56Å; L485-F526 HydrophobicContact CD1-CE1 4.19Å; L485-F526 HydrophobicContact CD1-CE2 3.69Å; L485-F526 HydrophobicContact CD1-CG 3.79Å; L485-F526 HydrophobicContact CD1-CZ 4.01Å; L488-F526 HydrophobicContact CD1-CD2 4.09Å; L488-F526 HydrophobicContact CD1-CE2 4.02Å; F522-F526 HydrophobicContact CB-CE2 3.98Å; F522-F526 HydrophobicContact CB-CZ 4.16Å; F522-F526 WeakPolarHBondContact O-CD2 3.5Å; F522-F526 WeakPolarHBondContact O-CG 3.32Å; F522-F526 PolarHBondContact O-N 3.43Å; W523-F526 HydrophobicContact CE3-CB 4.01Å; W523-F526 HydrophobicContact CE3-CD2 4.14Å; W523-F526 HydrophobicContact CZ3-CB 4.28Å; W523-F526 PolarHBondContact O-N 3.02Å; W523-F526 VanDerWaalsContact O-N 3.14Å; F526-A529 PolarHBondContact O-N 2.78Å; F526-A530 WeakPolarHBondContact O-CB 3.42Å; F526-A530 PolarHBondContact O-N 2.91Å |
| 527 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.4 | -70.5 | 172.7 | 0 | 0 | 0 | 112 | L492 W504 W523 P524 A529 A530 D531 L532 L534 P535 | L492-L527 HydrophobicContact CD1-CD2 4.37Å; L492-L527 HydrophobicContact CD2-CD2 4.4Å; W504-L527 HydrophobicContact CH2-CD1 4.48Å; W504-L527 HydrophobicContact CH2-CD2 4.34Å; W504-L527 HydrophobicContact CZ2-CD1 3.79Å; W504-L527 HydrophobicContact CZ2-CD2 3.59Å; W504-L527 HydrophobicContact CZ2-CG 4.35Å; W523-L527 HydrophobicContact CD2-CD1 4Å; W523-L527 HydrophobicContact CD2-CD2 4.42Å; W523-L527 HydrophobicContact CD2-CG 3.9Å; W523-L527 HydrophobicContact CE3-CD2 4.47Å; W523-L527 HydrophobicContact CE3-CG 4.12Å; W523-L527 HydrophobicContact CG-CD1 4.24Å; W523-L527 HydrophobicContact CH2-CD2 3.62Å; W523-L527 HydrophobicContact CH2-CG 4.13Å; W523-L527 HydrophobicContact CZ2-CD1 4.09Å; W523-L527 HydrophobicContact CZ2-CD2 3.51Å; W523-L527 HydrophobicContact CZ2-CG 3.9Å; W523-L527 HydrophobicContact CZ3-CD2 4.11Å; W523-L527 HydrophobicContact CZ3-CG 4.23Å; W523-L527 WeakPolarHBondContact O-CG 3.32Å; W523-L527 PolarHBondContact O-N 3.37Å; P524-L527 PolarHBondContact O-N 3.34Å; L527-A529 VanDerWaalsContact C-N 3.31Å; L527-A529 PolarHBondContact O-N 2.98Å; L527-A530 CarbonylContact O-C 3.59Å; L527-A530 WeakPolarHBondContact O-CA 3.43Å; L527-A530 PolarHBondContact O-N 3.15Å; L527-A530 VanDerWaalsContact O-N 3.1Å; L527-D531 PolarHBondContact O-N 2.93Å; L527-L532 HydrophobicContact CB-CB 4.29Å; L527-L532 HydrophobicContact CD2-CB 3.77Å; L527-L532 HydrophobicContact CD2-CD1 3.88Å; L527-L532 PolarHBondContact O-N 2.7Å; L527-L534 HydrophobicContact CB-CD2 3.81Å; L527-L534 HydrophobicContact CD1-CD2 4.07Å; L527-P535 HydrophobicContact CD1-CG 4.32Å |
| 528 | L | 98.6 | Very high | 96.5 | Very high | 46 Ų | 46 | 23.7 Ų | 23.7 | 24% | 0.241 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 175.1 | -71.7 | 169.3 | 0 | 0 | 0 | 111.7 | F425 T428 V429 P524 A525 A530 D531 L534 | F425-L528 HydrophobicContact CB-CD1 4.47Å; F425-L528 HydrophobicContact CD1-CB 3.71Å; F425-L528 HydrophobicContact CE1-CB 4.22Å; T428-L528 HydrophobicContact CG2-CD1 3.77Å; T428-L528 HydrophobicContact CG2-CD2 4.17Å; V429-L528 HydrophobicContact CG2-CD1 3.74Å; P524-L528 WeakPolarHBondContact O-CB 3.29Å; P524-L528 VanDerWaalsContact O-CG 3.26Å; P524-L528 WeakPolarHBondContact O-CG 3.44Å; P524-L528 PolarHBondContact O-N 2.94Å; A525-L528 PolarHBondContact O-N 2.9Å; L528-A530 PolarHBondContact O-N 3.23Å; L528-D531 PolarHBondContact O-N 3.35Å; L528-D531 VanDerWaalsContact O-N 3.09Å; L528-L534 HydrophobicContact CD2-CD1 4.31Å; L528-L534 HydrophobicContact CD2-CD2 4.38Å; L528-L534 HydrophobicContact CD2-CG 4.41Å; L528-L534 HydrophobicContact CG-CD1 4.44Å; L528-L534 HydrophobicContact CG-CD2 4.07Å |
| 529 | A | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.2 | -29.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L366 R369 C371 F420 F425 A525 F526 L527 | L366-A529 HydrophobicContact CD2-CB 3.52Å; R369-A529 WeakPolarHBondContact CD-O 3.36Å; C371-A529 HydrophobicContact CB-CB 4.29Å; F420-A529 HydrophobicContact CE2-CB 3.53Å; F420-A529 HydrophobicContact CZ-CB 3.69Å; F425-A529 HydrophobicContact CD2-CB 4.48Å; F425-A529 HydrophobicContact CE1-CB 3.91Å; F425-A529 HydrophobicContact CE2-CB 3.75Å; F425-A529 HydrophobicContact CZ-CB 3.42Å; F425-A529 VanDerWaalsContact CZ-CB 3.42Å; A525-A529 WeakPolarHBondContact O-CB 3.42Å; A525-A529 PolarHBondContact O-N 2.84Å; F526-A529 PolarHBondContact O-N 2.78Å; L527-A529 VanDerWaalsContact C-N 3.31Å; L527-A529 PolarHBondContact O-N 2.98Å |
| 530 | A | 98.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 23.8 Ų | 23.8 | 7% | 0.074 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -89.9 | -1.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F362 V365 L366 F526 L527 L528 L532 | F362-A530 HydrophobicContact CD2-CB 4.25Å; F362-A530 HydrophobicContact CE2-CB 3.46Å; F362-A530 VanDerWaalsContact CE2-CB 3.46Å; F362-A530 HydrophobicContact CZ-CB 3.75Å; V365-A530 HydrophobicContact CG1-CB 4.11Å; L366-A530 HydrophobicContact CD2-CB 4.41Å; F526-A530 WeakPolarHBondContact O-CB 3.42Å; F526-A530 PolarHBondContact O-N 2.91Å; L527-A530 CarbonylContact O-C 3.59Å; L527-A530 WeakPolarHBondContact O-CA 3.43Å; L527-A530 PolarHBondContact O-N 3.15Å; L527-A530 VanDerWaalsContact O-N 3.1Å; L528-A530 PolarHBondContact O-N 3.23Å; A530-L532 HydrophobicContact CB-CD1 3.96Å; A530-L532 HydrophobicContact CB-CG 4.15Å |
| 531 | D | 97.3 | Very high | 96.3 | Very high | 113 Ų | 113 | 24 Ų | 24 | 60% | 0.604 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 43.3 | -177.5 | -160.6 | 21.8 | 0 | 0 | 0 | 113.2 | R369 L527 L528 | R369-D531 IonicContact CZ-OD2 3.63Å; R369-D531 IonicContact NH1-OD2 3.37Å; R369-D531 IonicContact NH2-OD2 3.72Å; R369-D531 PolarHBondContact NH2-OD2 3.26Å; L527-D531 PolarHBondContact O-N 2.93Å; L528-D531 PolarHBondContact O-N 3.35Å; L528-D531 VanDerWaalsContact O-N 3.09Å |
| 532 | L | 96.9 | Very high | 95.8 | Very high | 26 Ų | 26 | 24 Ų | 24 | 14% | 0.136 | 12% | 0.124 | C | C | . | . | trans | -109.7 | 145.4 | 179.1 | -68.1 | 172.6 | 0 | 0 | 0 | 110.8 | F362 L492 L501 L527 A530 | F362-L532 HydrophobicContact CE2-CD1 4.01Å; L492-L532 HydrophobicContact CD1-CD1 3.65Å; L492-L532 HydrophobicContact CD2-CD1 3.96Å; L492-L532 HydrophobicContact CG-CD1 4.5Å; L501-L532 HydrophobicContact CD2-CD2 3.8Å; L527-L532 HydrophobicContact CB-CB 4.29Å; L527-L532 HydrophobicContact CD2-CB 3.77Å; L527-L532 HydrophobicContact CD2-CD1 3.88Å; L527-L532 PolarHBondContact O-N 2.7Å; A530-L532 HydrophobicContact CB-CD1 3.96Å; A530-L532 HydrophobicContact CB-CG 4.15Å | ||
| 533 | P | 95.9 | Very high | 95.4 | Very high | 67 Ų | 67 | 26.5 Ų | 26.5 | 44% | 0.435 | 14% | 0.135 | S | C | . | . | P | Polyproline II helix | trans | -56.8 | 144.4 | 174.4 | -25.6 | 34 | 0 | 0 | 0 | 112.9 | W504 P505 | W504-P533 PolarHBondContact NE1-O 3.26Å; P505-P533 HydrophobicContact CB-CB 4.01Å; P505-P533 HydrophobicContact CG-CB 3.84Å |
| 534 | L | 95.8 | Very high | 95.1 | Very high | 31 Ų | 31 | 26.9 Ų | 26.9 | 16% | 0.162 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -82 | 154.5 | 178.8 | -62.3 | -174.2 | 0 | 0 | 0 | 112.5 | W432 P505 P524 L527 L528 | W432-L534 HydrophobicContact CB-CD1 4.2Å; W432-L534 HydrophobicContact CD2-CD1 3.64Å; W432-L534 HydrophobicContact CE3-CD1 4.27Å; W432-L534 HydrophobicContact CG-CD1 3.61Å; W432-L534 HydrophobicContact CZ2-CB 3.99Å; W432-L534 HydrophobicContact CZ2-CD1 4.35Å; P505-L534 WeakPolarHBondContact CB-O 3.44Å; P524-L534 HydrophobicContact CB-CD1 4.43Å; P524-L534 HydrophobicContact CB-CD2 3.81Å; P524-L534 WeakPolarHBondContact O-CD2 2.97Å; L527-L534 HydrophobicContact CB-CD2 3.81Å; L527-L534 HydrophobicContact CD1-CD2 4.07Å; L528-L534 HydrophobicContact CD2-CD1 4.31Å; L528-L534 HydrophobicContact CD2-CD2 4.38Å; L528-L534 HydrophobicContact CD2-CG 4.41Å; L528-L534 HydrophobicContact CG-CD1 4.44Å; L528-L534 HydrophobicContact CG-CD2 4.07Å |
| 535 | P | 92.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 146.3 | 175.7 | -24.1 | 34.8 | 0 | 0 | 0 | 112.8 | W432 P506 H509 L527 | W432-P535 WeakPolarHBondContact CZ2-O 3.28Å; P506-P535 HydrophobicContact CG-CB 4.18Å; P506-P535 HydrophobicContact CG-CG 4.48Å; H509-P535 WeakPolarHBondContact NE2-CG 3.42Å; L527-P535 HydrophobicContact CD1-CG 4.32Å |
| 536 | K | 93 | Very high | 93.8 | Very high | 120 Ų | 120 | 28.3 Ų | 28.3 | 52% | 0.522 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -80.5 | -30 | 180 | -55.9 | -177.5 | -160.6 | 161.8 | 0 | 113.2 | P505 P506 D507 | P505-K536 HydrophobicContact CG-CG 4.31Å; P506-K536 PolarHBondContact O-N 2.81Å; P506-K536 VanDerWaalsContact O-N 3.11Å; D507-K536 WeakPolarHBondContact OD1-CD 3.36Å; D507-K536 IonicContact OD1-NZ 3.88Å; D507-K536 PolarHBondContact OD1-NZ 2.84Å |
| 537 | K | 93.8 | Very high | 92.9 | Very high | 61 Ų | 61 | 32.9 Ų | 32.9 | 27% | 0.265 | 17% | 0.17 | S | C | . | . | trans | -149.2 | 143.5 | 178.8 | -167.2 | 180 | -64.8 | -176.3 | 0 | 111 | V438 Q440 D507 C508 H509 | V438-K537 CarbonylContact O-C 3.56Å; V438-K537 WeakPolarHBondContact O-CA 3.49Å; Q440-K537 HydrophobicContact CB-CG 4.44Å; Q440-K537 HydrophobicContact CG-CD 4.31Å; Q440-K537 HydrophobicContact CG-CG 4.17Å; D507-K537 WeakPolarHBondContact O-CB 3.44Å; D507-K537 PolarHBondContact O-N 2.82Å; C508-K537 CarbonylContact C-O 3.42Å; C508-K537 WeakPolarHBondContact CA-O 3.5Å; C508-K537 HydrophobicContact CB-CB 4.27Å; H509-K537 PolarHBondContact N-O 3Å | ||
| 538 | V | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 104 | 166.3 | -179 | 0 | 0 | 0 | 0 | 107.1 | V438 I439 Q440 H509 V511 L516 H519 C540 | V438-V538 HydrophobicContact CG2-CG2 4.09Å; V438-V538 PolarHBondContact O-N 3.44Å; I439-V538 HydrophobicContact CD1-CB 3.96Å; I439-V538 HydrophobicContact CD1-CG1 4.45Å; I439-V538 HydrophobicContact CD1-CG2 4.38Å; Q440-V538 PolarHBondContact N-O 3.39Å; H509-V538 HydrophobicContact CB-CG1 4.49Å; H509-V538 HydrophobicContact CB-CG2 4.39Å; H509-V538 CarbonylContact O-C 3.58Å; V511-V538 HydrophobicContact CG2-CG1 3.64Å; L516-V538 HydrophobicContact CD1-CG1 3.92Å; H519-V538 HydrophobicContact CB-CG1 4.34Å; V538-C540 PolarHBondContact O-N 2.92Å |
| 539 | F | 95.4 | Very high | 90.9 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 109.1 | 173.2 | -172.9 | -97.9 | 0 | 0 | 0 | 110.3 | I280 Q440 H509 V510 V511 H541 A583 M660 | I280-F539 HydrophobicContact CD1-CE1 4.26Å; I280-F539 HydrophobicContact CG2-CD1 4.02Å; I280-F539 HydrophobicContact CG2-CE1 3.77Å; Q440-F539 HydrophobicContact CB-CD2 4.34Å; Q440-F539 CarbonylContact O-C 3.57Å; Q440-F539 VanDerWaalsContact O-CA 3.27Å; Q440-F539 WeakPolarHBondContact O-CA 3.41Å; H509-F539 PolarHBondContact O-N 2.99Å; V510-F539 WeakPolarHBondContact CA-O 3.29Å; V510-F539 HydrophobicContact CG1-CD1 4.25Å; V511-F539 PolarHBondContact N-O 2.82Å; F539-H541 HydrophobicContact CE1-CB 4.21Å; F539-A583 HydrophobicContact CE1-CB 4.11Å; F539-A583 HydrophobicContact CE2-CB 4.09Å; F539-A583 HydrophobicContact CZ-CB 3.51Å; F539-M660 HydrophobicContact CB-CE 3.96Å; F539-M660 HydrophobicContact CB-SD 3.68Å; F539-M660 HydrophobicContact CD1-CE 3.65Å; F539-M660 HydrophobicContact CD1-SD 4.09Å; F539-M660 HydrophobicContact CD2-CB 3.94Å; F539-M660 HydrophobicContact CD2-CE 4.29Å; F539-M660 HydrophobicContact CD2-CG 4.34Å; F539-M660 HydrophobicContact CD2-SD 3.62Å; F539-M660 HydrophobicContact CE1-CB 4.28Å; F539-M660 HydrophobicContact CE1-CE 4.13Å; F539-M660 HydrophobicContact CE2-CB 3.51Å; F539-M660 HydrophobicContact CE2-CG 4.39Å; F539-M660 HydrophobicContact CE2-SD 4.21Å; F539-M660 HydrophobicContact CG-CB 4.47Å; F539-M660 HydrophobicContact CG-CE 3.7Å; F539-M660 HydrophobicContact CG-SD 3.52Å; F539-M660 VanDerWaalsContact CG-SD 3.52Å; F539-M660 HydrophobicContact CZ-CB 3.66Å |
| 540 | C | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 127.8 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | Q440 P441 Y444 V511 K513 L516 V538 | Q440-C540 PolarHBondContact O-N 3.39Å; P441-C540 WeakPolarHBondContact CD-O 3.3Å; Y444-C540 HydrophobicContact CD2-CB 3.57Å; Y444-C540 HydrophobicContact CE2-CB 3.98Å; Y444-C540 VanDerWaalsContact CE2-O 3.29Å; Y444-C540 WeakPolarHBondContact CE2-O 3.43Å; Y444-C540 HydrophobicContact CG-CB 4.03Å; V511-C540 HydrophobicContact CG2-CB 4.39Å; V511-C540 CarbonylContact O-C 3.58Å; V511-C540 VanDerWaalsContact O-CA 3.32Å; V511-C540 WeakPolarHBondContact O-CA 3.22Å; K513-C540 VanDerWaalsContact CA-SG 3.52Å; L516-C540 HydrophobicContact CD1-CB 3.93Å; L516-C540 HydrophobicContact CD2-CB 4.5Å; V538-C540 PolarHBondContact O-N 2.92Å |
| 541 | H | 91.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.023 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 156.3 | 175.6 | 70.3 | 78.3 | 0 | 0 | 0 | 113 | Y276 T277 I280 V511 K513 F539 A583 | Y276-H541 AromaticContact CD1-CE1 3.91Å; Y276-H541 AromaticContact CD1-ND1 3.64Å; Y276-H541 HydrophobicContact CE1-CB 4.17Å; Y276-H541 AromaticContact CE1-CG 3.98Å; Y276-H541 AromaticContact CE1-ND1 3.63Å; T277-H541 PolarHBondContact OG1-CE1 3.26Å; T277-H541 PolarHBondContact OG1-NE2 3.19Å; I280-H541 HydrophobicContact CD1-CB 3.86Å; V511-H541 PolarHBondContact O-CD2 2.77Å; V511-H541 PolarHBondContact O-N 2.72Å; K513-H541 PolarHBondContact N-O 3.48Å; F539-H541 HydrophobicContact CE1-CB 4.21Å; H541-A583 HydrophobicContact CB-CB 4.49Å |
| 542 | A | 87.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | trans | -74.5 | 173.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | A583 S585 D586 | A542-A583 PolarHBondContact N-O 3.46Å; A542-A583 VanDerWaalsContact N-O 3.1Å; A542-S585 WeakPolarHBondContact CB-O 3.15Å; A542-D586 WeakPolarHBondContact CB-OD1 3.35Å | ||
| 543 | H | 88 | Confident | 87.8 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 30% | 0.296 | 24% | 0.237 | S | C | . | . | trans | -93.5 | 173.5 | -178.9 | -67.3 | 148 | 0 | 0 | 0 | 112.3 | K513 D514 D586 G587 | K513-H543 WeakPolarHBondContact CE-ND1 3.5Å; D514-H543 IonicContact OD1-CD2 3.25Å; D514-H543 IonicContact OD1-CE1 3.35Å; D514-H543 IonicContact OD1-NE2 3.48Å; D514-H543 PolarHBondContact OD1-NE2 3.34Å; H543-D586 PolarHBondContact N-OD1 3.02Å; H543-D586 CarbonylContact O-C 3.59Å; H543-D586 WeakPolarHBondContact O-CA 3.46Å; H543-D586 WeakPolarHBondContact O-CB 3.46Å; H543-G587 PolarHBondContact O-N 3.31Å | ||
| 544 | W | 90.5 | Very high | 86.7 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.9 | 171.7 | -74.3 | 90 | 0 | 0 | 0 | 111 | I272 Y276 M551 F576 L577 Q580 G581 | I272-W544 HydrophobicContact CD1-CB 4.19Å; I272-W544 HydrophobicContact CG1-CB 4.5Å; Y276-W544 AromaticContact CD1-CD1 3.67Å; Y276-W544 AromaticContact CD1-NE1 3.07Å; Y276-W544 HydrophobicContact CD2-CZ2 4.22Å; Y276-W544 AromaticContact CD2-NE1 3.59Å; Y276-W544 AromaticContact CE1-NE1 3.53Å; Y276-W544 HydrophobicContact CE2-CZ2 4.17Å; Y276-W544 AromaticContact CG-CD1 3.88Å; Y276-W544 AromaticContact CG-NE1 3.09Å; Y276-W544 AromaticContact CZ-NE1 3.98Å; W544-M551 HydrophobicContact CB-CE 4.2Å; W544-F576 HydrophobicContact CH2-CE1 4.23Å; W544-F576 AromaticContact CZ3-CE1 4Å; W544-F576 HydrophobicContact CZ3-CE1 4Å; W544-L577 HydrophobicContact CD2-CD2 4.07Å; W544-L577 HydrophobicContact CE3-CD2 4.31Å; W544-L577 HydrophobicContact CH2-CD2 3.85Å; W544-L577 HydrophobicContact CZ2-CB 4.23Å; W544-L577 HydrophobicContact CZ2-CD2 3.57Å; W544-L577 WeakPolarHBondContact CZ2-O 3.47Å; W544-L577 HydrophobicContact CZ3-CD2 4.21Å; W544-Q580 HydrophobicContact CH2-CB 4.08Å; W544-G581 VanDerWaalsContact CZ2-CA 3.49Å |
| 545 | T | 84.8 | Confident | 85.9 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 13% | 0.129 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 158.1 | 164.3 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | R549 G587 N588 Y589 | T545-R549 CarbonylContact C-O 3.57Å; T545-R549 WeakPolarHBondContact CA-O 3.47Å; T545-R549 WeakPolarHBondContact CB-O 3.21Å; T545-G587 PolarHBondContact N-O 3.02Å; T545-G587 PolarHBondContact OG1-O 2.87Å; T545-N588 WeakPolarHBondContact OG1-CA 3.25Å; T545-N588 PolarHBondContact OG1-OD1 3.07Å; T545-Y589 WeakPolarHBondContact O-CB 3.31Å; T545-Y589 PolarHBondContact O-N 2.95Å |
| 546 | V | 85.2 | Confident | 85.5 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 119.2 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 107.6 | I272 G548 R549 M551 V559 Y589 | I272-V546 HydrophobicContact CD1-CG2 4.13Å; V546-G548 PolarHBondContact O-N 3.25Å; V546-R549 PolarHBondContact N-O 3.3Å; V546-R549 PolarHBondContact O-N 2.81Å; V546-M551 HydrophobicContact CB-CG 4.28Å; V546-M551 HydrophobicContact CG2-CG 3.45Å; V546-M551 VanDerWaalsContact CG2-CG 3.45Å; V546-M551 HydrophobicContact CG2-SD 3.79Å; V546-V559 HydrophobicContact CB-CG2 4.42Å; V546-V559 HydrophobicContact CG1-CG2 3.91Å; V546-V559 HydrophobicContact CG2-CG2 3.6Å; V546-Y589 VanDerWaalsContact CA-O 3.28Å; V546-Y589 WeakPolarHBondContact CA-O 3.45Å; V546-Y589 HydrophobicContact CG1-CD1 4.44Å; V546-Y589 HydrophobicContact CG2-CD1 4.35Å |
| 547 | D | 80.2 | Confident | 85.2 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 45 | -172.1 | -51.1 | -48.5 | 0 | 0 | 0 | 112.4 | R549 N588 Y589 S590 | D547-R549 PolarHBondContact O-N 3.13Å; D547-N588 PolarHBondContact N-OD1 2.94Å; D547-Y589 PolarHBondContact N-O 2.86Å; D547-S590 WeakPolarHBondContact OD1-CB 3.47Å |
| 548 | G | 77.2 | Confident | 85.1 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 5.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V546 N588 | V546-G548 PolarHBondContact O-N 3.25Å; G548-N588 PolarHBondContact N-OD1 2.93Å |
| 549 | R | 77 | Confident | 85 | Confident | 133 Ų | 133 | 58.5 Ų | 58.5 | 50% | 0.502 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.3 | -177.6 | -65.5 | -177.4 | -73.9 | -169.1 | -2.1 | 111.8 | T545 V546 D547 M551 | T545-R549 CarbonylContact C-O 3.57Å; T545-R549 WeakPolarHBondContact CA-O 3.47Å; T545-R549 WeakPolarHBondContact CB-O 3.21Å; V546-R549 PolarHBondContact N-O 3.3Å; V546-R549 PolarHBondContact O-N 2.81Å; D547-R549 PolarHBondContact O-N 3.13Å; R549-M551 PolarHBondContact O-N 3.4Å |
| 550 | K | 82.1 | Confident | 84.9 | Confident | 143 Ų | 143 | 60.8 Ų | 60.8 | 62% | 0.622 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 135.6 | 172.4 | -174.1 | 177.6 | 178.3 | -178.8 | 0 | 110 | S552 N557 | K550-S552 PolarHBondContact O-N 2.94Å; K550-N557 PolarHBondContact O-ND2 2.89Å; K550-N557 VanDerWaalsContact O-ND2 3.11Å |
| 551 | M | 86 | Confident | 85 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | trans | -63.7 | 132 | 174 | -76 | -172.6 | -74.8 | 0 | 0 | 110.8 | I272 W544 V546 R549 N557 V558 | I272-M551 HydrophobicContact CD1-CE 4.25Å; I272-M551 HydrophobicContact CD1-SD 4.19Å; I272-M551 HydrophobicContact CG1-CE 3.7Å; I272-M551 HydrophobicContact CG1-SD 3.8Å; W544-M551 HydrophobicContact CB-CE 4.2Å; V546-M551 HydrophobicContact CB-CG 4.28Å; V546-M551 HydrophobicContact CG2-CG 3.45Å; V546-M551 VanDerWaalsContact CG2-CG 3.45Å; V546-M551 HydrophobicContact CG2-SD 3.79Å; R549-M551 PolarHBondContact O-N 3.4Å; M551-N557 WeakPolarHBondContact CA-OD1 3.47Å; M551-V558 HydrophobicContact CB-CG2 4.37Å | ||
| 552 | S | 83.2 | Confident | 85.1 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | trans | -155.6 | 150.7 | 173.2 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | K550 S554 L555 K556 N557 | K550-S552 PolarHBondContact O-N 2.94Å; S552-S554 VanDerWaalsContact C-N 3.29Å; S552-S554 PolarHBondContact O-N 2.84Å; S552-S554 PolarHBondContact OG-OG 3.19Å; S552-L555 PolarHBondContact O-N 3.28Å; S552-L555 WeakPolarHBondContact OG-CB 3.26Å; S552-L555 WeakPolarHBondContact OG-CD1 3.36Å; S552-L555 VanDerWaalsContact OG-CG 3.25Å; S552-L555 WeakPolarHBondContact OG-CG 3.46Å; S552-L555 PolarHBondContact OG-N 3.28Å; S552-K556 PolarHBondContact O-N 3.24Å; S552-N557 PolarHBondContact N-OD1 2.87Å; S552-N557 PolarHBondContact O-OD1 3.26Å | ||
| 553 | K | 75.9 | Confident | 85.4 | Confident | 152 Ų | 152 | 69.3 Ų | 69.3 | 66% | 0.661 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -36.9 | 176.2 | -68.3 | -174.5 | 179.7 | -179.9 | 0 | 112.4 | K556 | K553-K556 PolarHBondContact O-N 2.98Å; K553-K556 VanDerWaalsContact O-N 3.13Å |
| 554 | S | 72.5 | Confident | 85.8 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 76% | 0.762 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -36.9 | -179.6 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | S552 K556 | S552-S554 VanDerWaalsContact C-N 3.29Å; S552-S554 PolarHBondContact O-N 2.84Å; S552-S554 PolarHBondContact OG-OG 3.19Å; S554-K556 VanDerWaalsContact C-N 3.29Å |
| 555 | L | 77.8 | Confident | 86 | Confident | 95 Ų | 95 | 66.4 Ų | 66.4 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.4 | 174 | -64.9 | 177.1 | 0 | 0 | 0 | 113.4 | S552 N557 | S552-L555 PolarHBondContact O-N 3.28Å; S552-L555 WeakPolarHBondContact OG-CB 3.26Å; S552-L555 WeakPolarHBondContact OG-CD1 3.36Å; S552-L555 VanDerWaalsContact OG-CG 3.25Å; S552-L555 WeakPolarHBondContact OG-CG 3.46Å; S552-L555 PolarHBondContact OG-N 3.28Å; L555-N557 HydrophobicContact CB-CB 4.39Å; L555-N557 PolarHBondContact O-N 3.46Å; L555-N557 VanDerWaalsContact O-N 3.08Å |
| 556 | K | 84.1 | Confident | 86.3 | Confident | 195 Ų | 195 | 70.8 Ų | 70.8 | 85% | 0.848 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 30.3 | -175.3 | -57.7 | -176.3 | -179.9 | 179.4 | 0 | 113.4 | S552 K553 S554 | S552-K556 PolarHBondContact O-N 3.24Å; K553-K556 PolarHBondContact O-N 2.98Å; K553-K556 VanDerWaalsContact O-N 3.13Å; S554-K556 VanDerWaalsContact C-N 3.29Å |
| 557 | N | 88 | Confident | 86.7 | Confident | 20 Ų | 20 | 76.5 Ų | 76.5 | 11% | 0.107 | 38% | 0.379 | C | S | . | . | trans | -105.5 | 12.8 | -179.1 | 72.8 | -29.9 | 0 | 0 | 0 | 113.1 | K550 M551 S552 L555 V559 | K550-N557 PolarHBondContact O-ND2 2.89Å; K550-N557 VanDerWaalsContact O-ND2 3.11Å; M551-N557 WeakPolarHBondContact CA-OD1 3.47Å; S552-N557 PolarHBondContact N-OD1 2.87Å; S552-N557 PolarHBondContact O-OD1 3.26Å; L555-N557 HydrophobicContact CB-CB 4.39Å; L555-N557 PolarHBondContact O-N 3.46Å; L555-N557 VanDerWaalsContact O-N 3.08Å; N557-V559 PolarHBondContact O-N 3.27Å | ||
| 558 | V | 90.4 | Very high | 87.3 | Confident | 60 Ų | 60 | 72 Ų | 72 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 122.5 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | H271 M551 | H271-V558 HydrophobicContact CB-CG1 3.61Å; M551-V558 HydrophobicContact CB-CG2 4.37Å |
| 559 | V | 92.6 | Very high | 88.2 | Confident | 17 Ų | 17 | 72 Ų | 72 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 117.1 | -179.7 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | H271 I272 V546 N557 E564 Y589 | H271-V559 VanDerWaalsContact CA-O 3.3Å; H271-V559 WeakPolarHBondContact CA-O 3.13Å; H271-V559 WeakPolarHBondContact CB-O 3.47Å; I272-V559 HydrophobicContact CD1-CB 4.13Å; I272-V559 HydrophobicContact CD1-CG2 4.4Å; I272-V559 HydrophobicContact CG1-CB 4.2Å; I272-V559 HydrophobicContact CG2-CB 3.79Å; I272-V559 HydrophobicContact CG2-CG1 3.5Å; I272-V559 VanDerWaalsContact CG2-CG1 3.5Å; I272-V559 PolarHBondContact N-O 2.78Å; I272-V559 VanDerWaalsContact N-O 3.15Å; V546-V559 HydrophobicContact CB-CG2 4.42Å; V546-V559 HydrophobicContact CG1-CG2 3.91Å; V546-V559 HydrophobicContact CG2-CG2 3.6Å; N557-V559 PolarHBondContact O-N 3.27Å; V559-E564 HydrophobicContact CG1-CB 3.97Å; V559-E564 HydrophobicContact CG1-CG 4.04Å; V559-Y589 HydrophobicContact CG1-CE1 4.09Å; V559-Y589 HydrophobicContact CG2-CD1 3.93Å; V559-Y589 HydrophobicContact CG2-CE1 4.04Å |
| 560 | D | 94.1 | Very high | 89.2 | Confident | 56 Ų | 56 | 66.5 Ų | 66.5 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -77 | 116.7 | 172 | -179.8 | -25.6 | 0 | 0 | 0 | 109.2 | I562 K563 E564 | D560-I562 VanDerWaalsContact C-N 3.31Å; D560-I562 PolarHBondContact O-N 3.22Å; D560-I562 PolarHBondContact OD1-N 3.26Å; D560-K563 HydrophobicContact CB-CB 4.21Å; D560-K563 HydrophobicContact CB-CD 4.04Å; D560-K563 HydrophobicContact CB-CG 4.15Å; D560-K563 PolarHBondContact O-N 3.34Å; D560-K563 PolarHBondContact OD1-N 3.12Å; D560-K563 WeakPolarHBondContact OD2-CE 3.32Å; D560-E564 WeakPolarHBondContact O-CB 3.28Å; D560-E564 PolarHBondContact O-N 3.29Å |
| 561 | P | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -34.1 | -174.7 | 26.5 | -35.2 | 0 | 0 | 0 | 112.2 | P270 I272 L275 M336 F340 E564 A565 L573 | P270-P561 HydrophobicContact CB-CG 4.35Å; P270-P561 WeakPolarHBondContact O-CD 3.08Å; I272-P561 HydrophobicContact CG2-CB 4.49Å; L275-P561 HydrophobicContact CB-CB 4.21Å; L275-P561 HydrophobicContact CD2-CB 3.72Å; M336-P561 HydrophobicContact CG-CG 4.11Å; M336-P561 HydrophobicContact SD-CB 4.44Å; M336-P561 HydrophobicContact SD-CG 3.68Å; F340-P561 HydrophobicContact CE2-CB 3.73Å; F340-P561 HydrophobicContact CZ-CB 3.86Å; F340-P561 VanDerWaalsContact CZ-O 3.25Å; F340-P561 WeakPolarHBondContact CZ-O 3.48Å; P561-E564 PolarHBondContact O-N 2.93Å; P561-A565 WeakPolarHBondContact O-CB 3.22Å; P561-A565 PolarHBondContact O-N 2.78Å; P561-L573 HydrophobicContact CB-CD2 4.49Å |
| 562 | I | 94.9 | Very high | 90.4 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 23% | 0.226 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.6 | -46.1 | -178 | -66.7 | 171.7 | 0 | 0 | 0 | 109.9 | C335 D560 E564 A565 D566 | C335-I562 HydrophobicContact CB-CD1 4.47Å; D560-I562 VanDerWaalsContact C-N 3.31Å; D560-I562 PolarHBondContact O-N 3.22Å; D560-I562 PolarHBondContact OD1-N 3.26Å; I562-E564 VanDerWaalsContact C-N 3.3Å; I562-E564 PolarHBondContact O-N 3.13Å; I562-A565 WeakPolarHBondContact O-CB 3.41Å; I562-A565 PolarHBondContact O-N 3.46Å; I562-D566 PolarHBondContact O-N 2.88Å |
| 563 | K | 93.9 | Very high | 91.1 | Very high | 141 Ų | 141 | 58.2 Ų | 58.2 | 61% | 0.613 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.8 | -39.8 | 176.1 | -65.7 | -178.6 | -174.6 | 176.1 | 0 | 111.7 | D560 A565 D566 | D560-K563 HydrophobicContact CB-CB 4.21Å; D560-K563 HydrophobicContact CB-CD 4.04Å; D560-K563 HydrophobicContact CB-CG 4.15Å; D560-K563 PolarHBondContact O-N 3.34Å; D560-K563 PolarHBondContact OD1-N 3.12Å; D560-K563 WeakPolarHBondContact OD2-CE 3.32Å; K563-A565 VanDerWaalsContact C-N 3.32Å; K563-A565 PolarHBondContact O-N 3.01Å; K563-D566 WeakPolarHBondContact O-CB 3.47Å; K563-D566 PolarHBondContact O-N 3.3Å; K563-D566 VanDerWaalsContact O-N 3.16Å |
| 564 | E | 94.6 | Very high | 92.1 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.2 | -30 | -179.8 | -161.2 | 58.7 | -143.6 | 0 | 0 | 112.3 | V559 D560 P561 I562 D566 R567 L568 L573 Y589 T591 | V559-E564 HydrophobicContact CG1-CB 3.97Å; V559-E564 HydrophobicContact CG1-CG 4.04Å; D560-E564 WeakPolarHBondContact O-CB 3.28Å; D560-E564 PolarHBondContact O-N 3.29Å; P561-E564 PolarHBondContact O-N 2.93Å; I562-E564 VanDerWaalsContact C-N 3.3Å; I562-E564 PolarHBondContact O-N 3.13Å; E564-D566 PolarHBondContact O-N 3.44Å; E564-R567 PolarHBondContact O-N 3.48Å; E564-R567 VanDerWaalsContact O-N 3.14Å; E564-R567 IonicContact OE2-NH1 2.71Å; E564-R567 PolarHBondContact OE2-NH1 3.26Å; E564-L568 HydrophobicContact CG-CD1 4.14Å; E564-L568 PolarHBondContact O-N 3.42Å; E564-L573 HydrophobicContact CB-CD2 3.98Å; E564-L573 HydrophobicContact CG-CD2 4.17Å; E564-Y589 HydrophobicContact CG-CE1 4.49Å; E564-Y589 WeakPolarHBondContact CG-OH 3.4Å; E564-Y589 PolarHBondContact OE1-OH 2.88Å; E564-T591 WeakPolarHBondContact OE1-CG2 3.44Å; E564-T591 PolarHBondContact OE1-OG1 2.88Å |
| 565 | A | 94.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.8 | -24.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K339 F340 P561 I562 K563 R567 T569 A570 | K339-A565 HydrophobicContact CG-CB 4.4Å; F340-A565 HydrophobicContact CE1-CB 4.05Å; F340-A565 HydrophobicContact CE2-CB 4.4Å; F340-A565 HydrophobicContact CZ-CB 3.64Å; P561-A565 WeakPolarHBondContact O-CB 3.22Å; P561-A565 PolarHBondContact O-N 2.78Å; I562-A565 WeakPolarHBondContact O-CB 3.41Å; I562-A565 PolarHBondContact O-N 3.46Å; K563-A565 VanDerWaalsContact C-N 3.32Å; K563-A565 PolarHBondContact O-N 3.01Å; A565-R567 VanDerWaalsContact C-N 3.26Å; A565-T569 CarbonylContact O-C 3.56Å; A565-T569 VanDerWaalsContact O-C 3.26Å; A565-T569 WeakPolarHBondContact O-CA 3.27Å; A565-T569 PolarHBondContact O-N 3.43Å; A565-A570 HydrophobicContact CB-CB 4.23Å |
| 566 | D | 92.5 | Very high | 94.3 | Very high | 114 Ų | 114 | 41.4 Ų | 41.4 | 61% | 0.61 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -73.6 | -22.6 | 174.3 | -62.1 | -27.2 | 0 | 0 | 0 | 111.7 | K339 I562 K563 E564 | K339-D566 IonicContact NZ-OD1 3.92Å; K339-D566 PolarHBondContact NZ-OD1 2.93Å; I562-D566 PolarHBondContact O-N 2.88Å; K563-D566 WeakPolarHBondContact O-CB 3.47Å; K563-D566 PolarHBondContact O-N 3.3Å; K563-D566 VanDerWaalsContact O-N 3.16Å; E564-D566 PolarHBondContact O-N 3.44Å |
| 567 | R | 92.4 | Very high | 94.9 | Very high | 128 Ų | 128 | 32.1 Ų | 32.1 | 48% | 0.483 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -86.9 | -51.5 | 174.6 | -64.8 | 175 | 170.7 | 176.1 | -11.6 | 112.8 | E564 A565 | E564-R567 PolarHBondContact O-N 3.48Å; E564-R567 VanDerWaalsContact O-N 3.14Å; E564-R567 IonicContact OE2-NH1 2.71Å; E564-R567 PolarHBondContact OE2-NH1 3.26Å; A565-R567 VanDerWaalsContact C-N 3.26Å |
| 568 | L | 94.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -95.7 | -4.1 | -172.2 | -67 | 175.5 | 0 | 0 | 0 | 114.2 | E564 G572 L573 Y589 A594 V770 | E564-L568 HydrophobicContact CG-CD1 4.14Å; E564-L568 PolarHBondContact O-N 3.42Å; L568-G572 WeakPolarHBondContact O-CA 3.39Å; L568-L573 HydrophobicContact CB-CB 4.48Å; L568-L573 HydrophobicContact CD1-CD1 4.3Å; L568-Y589 HydrophobicContact CD1-CE2 4.43Å; L568-Y589 WeakPolarHBondContact CD1-OH 3.37Å; L568-A594 HydrophobicContact CD1-CB 3.5Å; L568-A594 HydrophobicContact CD2-CB 4.31Å; L568-V770 HydrophobicContact CD2-CG2 3.95Å |
| 569 | T | 95.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 29.5 Ų | 29.5 | 20% | 0.202 | 14% | 0.143 | C | C | . | . | trans | 65.9 | 153.8 | -156.9 | 79.8 | 0 | 0 | 0 | 0 | 112.4 | A565 E571 G572 L573 F767 P768 V770 | A565-T569 CarbonylContact O-C 3.56Å; A565-T569 VanDerWaalsContact O-C 3.26Å; A565-T569 WeakPolarHBondContact O-CA 3.27Å; A565-T569 PolarHBondContact O-N 3.43Å; T569-E571 VanDerWaalsContact C-N 3.29Å; T569-E571 PolarHBondContact O-N 2.88Å; T569-G572 PolarHBondContact O-N 3.27Å; T569-G572 PolarHBondContact OG1-N 3.25Å; T569-L573 PolarHBondContact O-N 2.82Å; T569-L573 VanDerWaalsContact O-N 3.1Å; T569-F767 HydrophobicContact CG2-CE2 4.4Å; T569-F767 HydrophobicContact CG2-CZ 4.29Å; T569-F767 WeakPolarHBondContact OG1-CE2 3.47Å; T569-F767 WeakPolarHBondContact OG1-CZ 3.35Å; T569-P768 HydrophobicContact CG2-CG 3.92Å; T569-V770 HydrophobicContact CG2-CG1 4.18Å | ||
| 570 | A | 96.7 | Very high | 95.1 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 15% | 0.149 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K339 F340 A565 L573 R574 | K339-A570 WeakPolarHBondContact O-CB 3.41Å; F340-A570 HydrophobicContact CD1-CB 4Å; F340-A570 HydrophobicContact CE1-CB 4.15Å; A565-A570 HydrophobicContact CB-CB 4.23Å; A570-L573 PolarHBondContact O-N 2.96Å; A570-R574 VanDerWaalsContact O-CG 3.29Å; A570-R574 WeakPolarHBondContact O-CG 3.38Å; A570-R574 PolarHBondContact O-N 2.87Å |
| 571 | E | 96.9 | Very high | 94.7 | Very high | 28 Ų | 28 | 27.5 Ų | 27.5 | 13% | 0.131 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 179.1 | -61.5 | 170.6 | 125.7 | 0 | 0 | 112.1 | T569 R574 Y575 A722 L723 R726 F767 | T569-E571 VanDerWaalsContact C-N 3.29Å; T569-E571 PolarHBondContact O-N 2.88Å; E571-R574 PolarHBondContact O-N 3.34Å; E571-Y575 VanDerWaalsContact O-CB 3.26Å; E571-Y575 WeakPolarHBondContact O-CB 3.02Å; E571-Y575 PolarHBondContact O-N 3.46Å; E571-A722 VanDerWaalsContact OE1-C 3.26Å; E571-A722 WeakPolarHBondContact OE1-CB 3.45Å; E571-L723 WeakPolarHBondContact OE1-CA 3.27Å; E571-L723 WeakPolarHBondContact OE1-CB 3.31Å; E571-L723 PolarHBondContact OE1-N 3.01Å; E571-R726 VanDerWaalsContact CD-NH2 3.31Å; E571-R726 IonicContact OE1-CZ 2.63Å; E571-R726 IonicContact OE1-NH1 2.84Å; E571-R726 PolarHBondContact OE1-NH1 3.31Å; E571-R726 IonicContact OE1-NH2 3.67Å; E571-R726 PolarHBondContact OE1-NH2 3.08Å; E571-R726 VanDerWaalsContact OE1-NH2 3.1Å; E571-R726 IonicContact OE2-CZ 3.6Å; E571-R726 IonicContact OE2-NH1 2.77Å; E571-R726 IonicContact OE2-NH2 2.63Å; E571-R726 PolarHBondContact OE2-NH2 3.13Å; E571-F767 HydrophobicContact CB-CE2 4.23Å |
| 572 | G | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L568 T569 Y575 F576 V598 | L568-G572 WeakPolarHBondContact O-CA 3.39Å; T569-G572 PolarHBondContact O-N 3.27Å; T569-G572 PolarHBondContact OG1-N 3.25Å; G572-Y575 WeakPolarHBondContact O-CB 3.43Å; G572-Y575 PolarHBondContact O-N 3Å; G572-F576 WeakPolarHBondContact O-CB 3.35Å; G572-F576 PolarHBondContact O-N 3.35Å; G572-V598 VanDerWaalsContact O-CG2 3.24Å; G572-V598 WeakPolarHBondContact O-CG2 3.46Å |
| 573 | L | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.3 | -37.4 | 176.9 | -179.2 | 59.7 | 0 | 0 | 0 | 112.5 | L275 F340 P561 E564 L568 T569 A570 Y575 F576 L577 Y589 | L275-L573 HydrophobicContact CD2-CD2 3.89Å; L275-L573 HydrophobicContact CD2-CG 4.1Å; F340-L573 HydrophobicContact CE1-CB 4.08Å; F340-L573 HydrophobicContact CE1-CD2 3.85Å; F340-L573 HydrophobicContact CE1-CG 4.15Å; F340-L573 HydrophobicContact CZ-CD2 3.76Å; P561-L573 HydrophobicContact CB-CD2 4.49Å; E564-L573 HydrophobicContact CB-CD2 3.98Å; E564-L573 HydrophobicContact CG-CD2 4.17Å; L568-L573 HydrophobicContact CB-CB 4.48Å; L568-L573 HydrophobicContact CD1-CD1 4.3Å; T569-L573 PolarHBondContact O-N 2.82Å; T569-L573 VanDerWaalsContact O-N 3.1Å; A570-L573 PolarHBondContact O-N 2.96Å; L573-Y575 VanDerWaalsContact C-N 3.33Å; L573-Y575 PolarHBondContact O-N 2.9Å; L573-F576 PolarHBondContact O-N 3.14Å; L573-L577 HydrophobicContact CD1-CD1 4Å; L573-L577 HydrophobicContact CD1-CD2 4.38Å; L573-L577 HydrophobicContact CD1-CG 3.9Å; L573-L577 HydrophobicContact CG-CD1 4.12Å; L573-L577 HydrophobicContact CG-CG 4.43Å; L573-L577 WeakPolarHBondContact O-CG 3.2Å; L573-L577 PolarHBondContact O-N 3.05Å; L573-L577 VanDerWaalsContact O-N 3.07Å; L573-Y589 HydrophobicContact CD1-CE2 3.8Å |
| 574 | R | 98 | Very high | 92.7 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.3 | -52 | 170.7 | -74 | -177 | 63 | 98.9 | 3.4 | 111.2 | L279 D282 F340 A570 E571 L577 L578 P718 V719 | L279-R574 HydrophobicContact CD1-CB 4.32Å; L279-R574 HydrophobicContact CD1-CG 4.19Å; L279-R574 HydrophobicContact CD2-CB 4.4Å; L279-R574 HydrophobicContact CD2-CG 3.66Å; L279-R574 VanDerWaalsContact CD2-CZ 3.48Å; D282-R574 IonicContact OD2-CZ 2.69Å; D282-R574 VanDerWaalsContact OD2-CZ 3.29Å; D282-R574 IonicContact OD2-NH1 3.38Å; D282-R574 PolarHBondContact OD2-NH1 3.35Å; D282-R574 IonicContact OD2-NH2 3.23Å; D282-R574 PolarHBondContact OD2-NH2 3.3Å; F340-R574 HydrophobicContact CD1-CG 3.9Å; F340-R574 VanDerWaalsContact O-CD 3.31Å; F340-R574 WeakPolarHBondContact O-CD 3.26Å; F340-R574 PolarHBondContact O-NH1 3.28Å; A570-R574 VanDerWaalsContact O-CG 3.29Å; A570-R574 WeakPolarHBondContact O-CG 3.38Å; A570-R574 PolarHBondContact O-N 2.87Å; E571-R574 PolarHBondContact O-N 3.34Å; R574-L577 PolarHBondContact O-N 3.01Å; R574-L578 PolarHBondContact O-N 2.66Å; R574-L578 VanDerWaalsContact O-N 3.16Å; R574-P718 PolarHBondContact NH2-O 3.09Å; R574-V719 PolarHBondContact NE-O 2.87Å; R574-V719 PolarHBondContact NH2-O 3.46Å |
| 575 | Y | 98.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.2 | -52.8 | -179.4 | -178.6 | -96.6 | 0 | 0 | 0 | 110.7 | E571 G572 L573 L577 L578 R579 V597 V598 E601 L602 I666 V670 L716 V719 V720 | E571-Y575 VanDerWaalsContact O-CB 3.26Å; E571-Y575 WeakPolarHBondContact O-CB 3.02Å; E571-Y575 PolarHBondContact O-N 3.46Å; G572-Y575 WeakPolarHBondContact O-CB 3.43Å; G572-Y575 PolarHBondContact O-N 3Å; L573-Y575 VanDerWaalsContact C-N 3.33Å; L573-Y575 PolarHBondContact O-N 2.9Å; Y575-L577 PolarHBondContact O-N 3.06Å; Y575-L578 PolarHBondContact O-N 2.96Å; Y575-R579 HydrophobicContact CD1-CB 4.31Å; Y575-R579 HydrophobicContact CE1-CB 4.1Å; Y575-R579 HydrophobicContact CE1-CG 4.03Å; Y575-R579 WeakPolarHBondContact O-CB 3.3Å; Y575-R579 PolarHBondContact O-N 3.48Å; Y575-V597 HydrophobicContact CE1-CG1 4.19Å; Y575-V598 HydrophobicContact CD1-CG2 4.28Å; Y575-E601 HydrophobicContact CE1-CB 4.1Å; Y575-E601 WeakPolarHBondContact CE1-OE2 3.31Å; Y575-E601 VanDerWaalsContact CZ-OE2 3.25Å; Y575-E601 WeakPolarHBondContact OH-CB 3.33Å; Y575-E601 PolarHBondContact OH-OE2 3.29Å; Y575-L602 HydrophobicContact CD1-CD1 4.12Å; Y575-L602 HydrophobicContact CD1-CD2 4.22Å; Y575-L602 HydrophobicContact CD1-CG 4.03Å; Y575-L602 HydrophobicContact CD2-CD1 4.29Å; Y575-L602 HydrophobicContact CD2-CD2 3.65Å; Y575-L602 HydrophobicContact CD2-CG 4.29Å; Y575-L602 HydrophobicContact CE1-CD2 4.2Å; Y575-L602 HydrophobicContact CE1-CG 4.23Å; Y575-L602 HydrophobicContact CE2-CD2 3.61Å; Y575-L602 HydrophobicContact CE2-CG 4.44Å; Y575-L602 HydrophobicContact CG-CD1 3.84Å; Y575-L602 HydrophobicContact CG-CD2 3.95Å; Y575-L602 HydrophobicContact CG-CG 4.06Å; Y575-I666 HydrophobicContact CD2-CG2 4.44Å; Y575-I666 HydrophobicContact CE2-CG2 3.47Å; Y575-I666 VanDerWaalsContact CE2-CG2 3.47Å; Y575-I666 WeakPolarHBondContact OH-CG2 3.22Å; Y575-V670 WeakPolarHBondContact OH-CG2 3.02Å; Y575-L716 HydrophobicContact CE2-CD2 4.5Å; Y575-V719 HydrophobicContact CD2-CG1 4.05Å; Y575-V720 HydrophobicContact CD2-CG1 4.02Å; Y575-V720 HydrophobicContact CG-CG1 4.37Å |
| 576 | F | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.3 | -50.5 | -178.6 | 179.4 | -98 | 0 | 0 | 0 | 112.6 | W544 G572 L573 L578 R579 Q580 Y589 L593 A594 V597 V598 | W544-F576 HydrophobicContact CH2-CE1 4.23Å; W544-F576 AromaticContact CZ3-CE1 4Å; W544-F576 HydrophobicContact CZ3-CE1 4Å; G572-F576 WeakPolarHBondContact O-CB 3.35Å; G572-F576 PolarHBondContact O-N 3.35Å; L573-F576 PolarHBondContact O-N 3.14Å; F576-L578 VanDerWaalsContact C-N 3.33Å; F576-L578 PolarHBondContact O-N 2.75Å; F576-R579 PolarHBondContact O-N 3.12Å; F576-Q580 HydrophobicContact CD2-CG 3.8Å; F576-Q580 HydrophobicContact CE1-CB 4.47Å; F576-Q580 HydrophobicContact CE2-CB 4.25Å; F576-Q580 HydrophobicContact CE2-CG 3.47Å; F576-Q580 VanDerWaalsContact CE2-CG 3.47Å; F576-Q580 HydrophobicContact CZ-CB 4.18Å; F576-Q580 HydrophobicContact CZ-CG 3.88Å; F576-Q580 WeakPolarHBondContact O-CB 3.32Å; F576-Q580 PolarHBondContact O-N 3.3Å; F576-Y589 AromaticContact CD1-CD2 3.91Å; F576-Y589 HydrophobicContact CD1-CD2 3.91Å; F576-Y589 HydrophobicContact CD1-CE2 4.09Å; F576-Y589 AromaticContact CE1-CD2 3.55Å; F576-Y589 HydrophobicContact CE1-CD2 3.55Å; F576-Y589 HydrophobicContact CE1-CE2 4.07Å; F576-Y589 HydrophobicContact CE1-CG 4.48Å; F576-L593 HydrophobicContact CE2-CD2 4.43Å; F576-L593 HydrophobicContact CE2-CG 4.02Å; F576-L593 HydrophobicContact CZ-CD2 4.19Å; F576-L593 HydrophobicContact CZ-CG 4.2Å; F576-A594 HydrophobicContact CB-CB 4.46Å; F576-A594 HydrophobicContact CD1-CB 3.95Å; F576-A594 HydrophobicContact CD2-CB 3.68Å; F576-A594 HydrophobicContact CE1-CB 4.09Å; F576-A594 HydrophobicContact CE2-CB 3.78Å; F576-A594 HydrophobicContact CG-CB 3.74Å; F576-A594 HydrophobicContact CZ-CB 3.99Å; F576-V597 HydrophobicContact CD2-CB 4.11Å; F576-V597 HydrophobicContact CD2-CG1 4.23Å; F576-V597 HydrophobicContact CD2-CG2 4.42Å; F576-V597 HydrophobicContact CE2-CB 4.38Å; F576-V597 HydrophobicContact CE2-CG2 4.22Å; F576-V598 HydrophobicContact CB-CG2 4.24Å |
| 577 | L | 97.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | -176.9 | -67.6 | 176.1 | 0 | 0 | 0 | 112 | L275 Y276 L279 W544 L573 R574 Y575 G581 Y589 | L275-L577 HydrophobicContact CB-CD1 4.47Å; L275-L577 HydrophobicContact CD2-CD1 3.68Å; L275-L577 HydrophobicContact CG-CD1 3.98Å; Y276-L577 HydrophobicContact CD2-CB 4.07Å; Y276-L577 VanDerWaalsContact CE2-O 3.28Å; Y276-L577 WeakPolarHBondContact CE2-O 3.03Å; L279-L577 HydrophobicContact CD1-CB 4.13Å; L279-L577 HydrophobicContact CD1-CD1 3.9Å; W544-L577 HydrophobicContact CD2-CD2 4.07Å; W544-L577 HydrophobicContact CE3-CD2 4.31Å; W544-L577 HydrophobicContact CH2-CD2 3.85Å; W544-L577 HydrophobicContact CZ2-CB 4.23Å; W544-L577 HydrophobicContact CZ2-CD2 3.57Å; W544-L577 WeakPolarHBondContact CZ2-O 3.47Å; W544-L577 HydrophobicContact CZ3-CD2 4.21Å; L573-L577 HydrophobicContact CD1-CD1 4Å; L573-L577 HydrophobicContact CD1-CD2 4.38Å; L573-L577 HydrophobicContact CD1-CG 3.9Å; L573-L577 HydrophobicContact CG-CD1 4.12Å; L573-L577 HydrophobicContact CG-CG 4.43Å; L573-L577 WeakPolarHBondContact O-CG 3.2Å; L573-L577 PolarHBondContact O-N 3.05Å; L573-L577 VanDerWaalsContact O-N 3.07Å; R574-L577 PolarHBondContact O-N 3.01Å; Y575-L577 PolarHBondContact O-N 3.06Å; L577-G581 WeakPolarHBondContact O-CA 3.49Å; L577-G581 PolarHBondContact O-N 2.76Å; L577-Y589 HydrophobicContact CD2-CD2 4.47Å |
| 578 | L | 96.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -78.7 | -28.1 | 176.5 | -68.7 | 171.1 | 0 | 0 | 0 | 113.2 | L279 I280 A283 R574 Y575 F576 F662 A663 I666 V719 | L279-L578 HydrophobicContact CB-CD1 4.43Å; L279-L578 HydrophobicContact CB-CD2 4.21Å; L279-L578 HydrophobicContact CB-CG 4.31Å; I280-L578 HydrophobicContact CG1-CD2 4.29Å; A283-L578 HydrophobicContact CB-CD1 3.98Å; A283-L578 HydrophobicContact CB-CD2 4.42Å; R574-L578 PolarHBondContact O-N 2.66Å; R574-L578 VanDerWaalsContact O-N 3.16Å; Y575-L578 PolarHBondContact O-N 2.96Å; F576-L578 VanDerWaalsContact C-N 3.33Å; F576-L578 PolarHBondContact O-N 2.75Å; L578-F662 HydrophobicContact CB-CB 4.23Å; L578-F662 HydrophobicContact CD2-CB 4.22Å; L578-F662 HydrophobicContact CD2-CD2 4.1Å; L578-F662 HydrophobicContact CD2-CG 4.1Å; L578-A663 WeakPolarHBondContact O-CA 3.46Å; L578-A663 PolarHBondContact O-N 3.42Å; L578-A663 VanDerWaalsContact O-N 3.16Å; L578-I666 HydrophobicContact CB-CD1 3.86Å; L578-V719 HydrophobicContact CB-CG1 4.13Å; L578-V719 HydrophobicContact CD1-CB 4.27Å; L578-V719 HydrophobicContact CD1-CG1 3.83Å; L578-V719 HydrophobicContact CD1-CG2 4.39Å |
| 579 | R | 93.4 | Very high | 90 | Very high | 23 Ų | 23 | 16.7 Ų | 16.7 | 9% | 0.087 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -77.1 | -40.5 | -179.7 | 172.4 | 62.8 | -175.4 | 102.9 | -8.1 | 113.1 | Y575 F576 V597 E601 A663 I666 N667 | Y575-R579 HydrophobicContact CD1-CB 4.31Å; Y575-R579 HydrophobicContact CE1-CB 4.1Å; Y575-R579 HydrophobicContact CE1-CG 4.03Å; Y575-R579 WeakPolarHBondContact O-CB 3.3Å; Y575-R579 PolarHBondContact O-N 3.48Å; F576-R579 PolarHBondContact O-N 3.12Å; R579-V597 HydrophobicContact CG-CG1 4.19Å; R579-E601 IonicContact CZ-OE1 2.81Å; R579-E601 IonicContact NE-OE1 2.77Å; R579-E601 PolarHBondContact NE-OE1 2.87Å; R579-E601 IonicContact NE-OE2 3.81Å; R579-E601 PolarHBondContact NE-OE2 2.86Å; R579-E601 IonicContact NH2-OE1 3.54Å; R579-E601 PolarHBondContact NH2-OE1 3.34Å; R579-A663 VanDerWaalsContact O-CB 3.3Å; R579-A663 WeakPolarHBondContact O-CB 3.39Å; R579-I666 HydrophobicContact CB-CD1 4.19Å; R579-I666 HydrophobicContact CB-CG2 4.4Å; R579-I666 VanDerWaalsContact CD-CG2 3.5Å; R579-I666 HydrophobicContact CG-CG2 4.43Å; R579-N667 PolarHBondContact NH2-OD1 2.86Å |
| 580 | Q | 86.2 | Confident | 89.6 | Confident | 24 Ų | 24 | 15.9 Ų | 15.9 | 11% | 0.112 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -101.2 | -23.8 | -176.8 | -64.9 | -62.5 | -29.6 | 0 | 0 | 112.5 | W544 F576 V582 | W544-Q580 HydrophobicContact CH2-CB 4.08Å; F576-Q580 HydrophobicContact CD2-CG 3.8Å; F576-Q580 HydrophobicContact CE1-CB 4.47Å; F576-Q580 HydrophobicContact CE2-CB 4.25Å; F576-Q580 HydrophobicContact CE2-CG 3.47Å; F576-Q580 VanDerWaalsContact CE2-CG 3.47Å; F576-Q580 HydrophobicContact CZ-CB 4.18Å; F576-Q580 HydrophobicContact CZ-CG 3.88Å; F576-Q580 WeakPolarHBondContact O-CB 3.32Å; F576-Q580 PolarHBondContact O-N 3.3Å; Q580-V582 PolarHBondContact O-N 2.96Å |
| 581 | G | 84.7 | Confident | 89.3 | Confident | 6 Ų | 6 | 16.3 Ų | 16.3 | 6% | 0.062 | 9% | 0.09 | C | C | . | . | trans | -72.1 | 125.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y276 W544 L577 | Y276-G581 VanDerWaalsContact OH-C 3.23Å; Y276-G581 WeakPolarHBondContact OH-CA 3.21Å; Y276-G581 PolarHBondContact OH-O 2.78Å; W544-G581 VanDerWaalsContact CZ2-CA 3.49Å; L577-G581 WeakPolarHBondContact O-CA 3.49Å; L577-G581 PolarHBondContact O-N 2.76Å | ||
| 582 | V | 81.2 | Confident | 88.9 | Confident | 11 Ų | 11 | 20.1 Ų | 20.1 | 7% | 0.067 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | -118.2 | 147.7 | 168.6 | -67.1 | 0 | 0 | 0 | 0 | 110.2 | H115 Q580 H584 S585 A663 | H115-V582 WeakPolarHBondContact NE2-CG1 3.43Å; Q580-V582 PolarHBondContact O-N 2.96Å; V582-H584 VanDerWaalsContact C-N 3.25Å; V582-H584 PolarHBondContact O-N 3.17Å; V582-S585 WeakPolarHBondContact CG2-OG 3.44Å; V582-A663 HydrophobicContact CG1-CB 4.07Å |
| 583 | A | 82 | Confident | 88.3 | Confident | 15 Ų | 15 | 21.3 Ų | 21.3 | 12% | 0.124 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -25 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P441 Y444 F539 H541 A542 | P441-A583 HydrophobicContact CG-CB 3.65Å; Y444-A583 WeakPolarHBondContact CE2-O 3.48Å; Y444-A583 PolarHBondContact OH-O 2.89Å; F539-A583 HydrophobicContact CE1-CB 4.11Å; F539-A583 HydrophobicContact CE2-CB 4.09Å; F539-A583 HydrophobicContact CZ-CB 3.51Å; H541-A583 HydrophobicContact CB-CB 4.49Å; A542-A583 PolarHBondContact N-O 3.46Å; A542-A583 VanDerWaalsContact N-O 3.1Å |
| 584 | H | 80.1 | Confident | 87.9 | Confident | 75 Ų | 75 | 21.3 Ų | 21.3 | 35% | 0.347 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -9.7 | -166.6 | 63 | -91.7 | 0 | 0 | 0 | 115.1 | K443 V582 | K443-H584 HydrophobicContact CD-CB 3.56Å; K443-H584 HydrophobicContact CG-CB 4.47Å; K443-H584 PolarHBondContact NZ-O 2.8Å; V582-H584 VanDerWaalsContact C-N 3.25Å; V582-H584 PolarHBondContact O-N 3.17Å |
| 585 | S | 78.3 | Confident | 87.6 | Confident | 18 Ų | 18 | 21.4 Ų | 21.4 | 13% | 0.126 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -147.6 | 150.7 | 177.8 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | A542 V582 G587 | A542-S585 WeakPolarHBondContact CB-O 3.15Å; V582-S585 WeakPolarHBondContact CG2-OG 3.44Å; S585-G587 PolarHBondContact O-N 3.44Å |
| 586 | D | 80.8 | Confident | 87.1 | Confident | 56 Ų | 56 | 25.6 Ų | 25.6 | 30% | 0.299 | 13% | 0.131 | S | C | . | . | trans | -63.7 | 134.5 | -178.2 | -66.9 | -13.8 | 0 | 0 | 0 | 110.3 | K513 A542 H543 | K513-D586 WeakPolarHBondContact CE-OD1 3.44Å; K513-D586 IonicContact NZ-OD1 3.63Å; K513-D586 PolarHBondContact NZ-OD1 3.17Å; K513-D586 IonicContact NZ-OD2 2.73Å; K513-D586 PolarHBondContact NZ-OD2 3.08Å; A542-D586 WeakPolarHBondContact CB-OD1 3.35Å; H543-D586 PolarHBondContact N-OD1 3.02Å; H543-D586 CarbonylContact O-C 3.59Å; H543-D586 WeakPolarHBondContact O-CA 3.46Å; H543-D586 WeakPolarHBondContact O-CB 3.46Å | ||
| 587 | G | 79.4 | Confident | 86.6 | Confident | 9 Ų | 9 | 25.6 Ų | 25.6 | 9% | 0.093 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 157.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H543 T545 S585 | H543-G587 PolarHBondContact O-N 3.31Å; T545-G587 PolarHBondContact N-O 3.02Å; T545-G587 PolarHBondContact OG1-O 2.87Å; S585-G587 PolarHBondContact O-N 3.44Å |
| 588 | N | 83.5 | Confident | 86.5 | Confident | 28 Ų | 28 | 25.6 Ų | 25.6 | 15% | 0.15 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.6 | 169.7 | -179.1 | 55.2 | 0 | 0 | 0 | 110.2 | T545 D547 G548 | T545-N588 WeakPolarHBondContact OG1-CA 3.25Å; T545-N588 PolarHBondContact OG1-OD1 3.07Å; D547-N588 PolarHBondContact N-OD1 2.94Å; G548-N588 PolarHBondContact N-OD1 2.93Å |
| 589 | Y | 89 | Confident | 86.3 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.2 | 174.1 | 179.7 | -86.7 | 0 | 0 | 0 | 109.6 | I272 T545 V546 D547 V559 E564 L568 L573 F576 L577 T591 A594 | I272-Y589 HydrophobicContact CD1-CD1 4.09Å; I272-Y589 HydrophobicContact CD1-CD2 4.1Å; I272-Y589 HydrophobicContact CD1-CG 3.64Å; T545-Y589 WeakPolarHBondContact O-CB 3.31Å; T545-Y589 PolarHBondContact O-N 2.95Å; V546-Y589 VanDerWaalsContact CA-O 3.28Å; V546-Y589 WeakPolarHBondContact CA-O 3.45Å; V546-Y589 HydrophobicContact CG1-CD1 4.44Å; V546-Y589 HydrophobicContact CG2-CD1 4.35Å; D547-Y589 PolarHBondContact N-O 2.86Å; V559-Y589 HydrophobicContact CG1-CE1 4.09Å; V559-Y589 HydrophobicContact CG2-CD1 3.93Å; V559-Y589 HydrophobicContact CG2-CE1 4.04Å; E564-Y589 HydrophobicContact CG-CE1 4.49Å; E564-Y589 WeakPolarHBondContact CG-OH 3.4Å; E564-Y589 PolarHBondContact OE1-OH 2.88Å; L568-Y589 HydrophobicContact CD1-CE2 4.43Å; L568-Y589 WeakPolarHBondContact CD1-OH 3.37Å; L573-Y589 HydrophobicContact CD1-CE2 3.8Å; F576-Y589 AromaticContact CD1-CD2 3.91Å; F576-Y589 HydrophobicContact CD1-CD2 3.91Å; F576-Y589 HydrophobicContact CD1-CE2 4.09Å; F576-Y589 AromaticContact CE1-CD2 3.55Å; F576-Y589 HydrophobicContact CE1-CD2 3.55Å; F576-Y589 HydrophobicContact CE1-CE2 4.07Å; F576-Y589 HydrophobicContact CE1-CG 4.48Å; L577-Y589 HydrophobicContact CD2-CD2 4.47Å; Y589-T591 PolarHBondContact OH-OG1 3.46Å; Y589-A594 HydrophobicContact CE2-CB 3.9Å |
| 590 | S | 87.6 | Confident | 86.2 | Confident | 15 Ų | 15 | 28 Ų | 28 | 11% | 0.105 | 15% | 0.145 | C | C | . | . | trans | -140.8 | 144.3 | 158.4 | 72.4 | 0 | 0 | 0 | 0 | 108.1 | D547 R592 L593 A594 | D547-S590 WeakPolarHBondContact OD1-CB 3.47Å; S590-R592 PolarHBondContact O-N 3.12Å; S590-L593 PolarHBondContact O-N 2.92Å; S590-L593 WeakPolarHBondContact OG-CB 3.4Å; S590-L593 PolarHBondContact OG-N 3.05Å; S590-L593 VanDerWaalsContact OG-N 3.16Å; S590-A594 WeakPolarHBondContact O-CB 3.41Å; S590-A594 PolarHBondContact O-N 2.96Å | ||
| 591 | T | 90.2 | Very high | 86.5 | Confident | 27 Ų | 27 | 27 Ų | 27 | 17% | 0.166 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.8 | -37.3 | 179.9 | -61.3 | 0 | 0 | 0 | 0 | 111 | E564 Y589 A594 S595 | E564-T591 WeakPolarHBondContact OE1-CG2 3.44Å; E564-T591 PolarHBondContact OE1-OG1 2.88Å; Y589-T591 PolarHBondContact OH-OG1 3.46Å; T591-A594 PolarHBondContact O-N 3.36Å; T591-S595 WeakPolarHBondContact O-CB 3.23Å; T591-S595 PolarHBondContact O-N 3.41Å; T591-S595 PolarHBondContact O-OG 3.11Å |
| 592 | R | 88.3 | Confident | 87 | Confident | 109 Ų | 109 | 26.8 Ų | 26.8 | 41% | 0.411 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58 | -59.7 | 174.1 | -178.1 | -176 | 177.1 | 174 | 12 | 111.7 | E107 S590 A594 S595 E596 | E107-R592 IonicContact OE1-CZ 2.72Å; E107-R592 IonicContact OE1-NH1 2.66Å; E107-R592 PolarHBondContact OE1-NH1 2.69Å; S590-R592 PolarHBondContact O-N 3.12Å; R592-A594 PolarHBondContact O-N 3.34Å; R592-S595 PolarHBondContact O-N 3.41Å; R592-S595 VanDerWaalsContact O-N 3.17Å; R592-S595 PolarHBondContact O-OG 2.98Å; R592-E596 WeakPolarHBondContact CG-OE1 3.43Å; R592-E596 IonicContact CZ-OE1 3.8Å; R592-E596 IonicContact NE-OE1 3.28Å; R592-E596 PolarHBondContact NE-OE1 3.24Å; R592-E596 IonicContact NH2-OE1 3.83Å; R592-E596 WeakPolarHBondContact O-CG 3.35Å; R592-E596 PolarHBondContact O-N 3.02Å |
| 593 | L | 84.6 | Confident | 87.6 | Confident | 25 Ų | 25 | 26.8 Ų | 26.8 | 13% | 0.131 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.9 | -41.1 | -179.1 | 178.2 | 62.2 | 0 | 0 | 0 | 111.1 | F576 S590 E596 V597 | F576-L593 HydrophobicContact CE2-CD2 4.43Å; F576-L593 HydrophobicContact CE2-CG 4.02Å; F576-L593 HydrophobicContact CZ-CD2 4.19Å; F576-L593 HydrophobicContact CZ-CG 4.2Å; S590-L593 PolarHBondContact O-N 2.92Å; S590-L593 WeakPolarHBondContact OG-CB 3.4Å; S590-L593 PolarHBondContact OG-N 3.05Å; S590-L593 VanDerWaalsContact OG-N 3.16Å; L593-E596 PolarHBondContact O-N 3.08Å; L593-V597 HydrophobicContact CD1-CG2 4.14Å; L593-V597 VanDerWaalsContact O-CG2 3.3Å; L593-V597 WeakPolarHBondContact O-CG2 3.41Å; L593-V597 PolarHBondContact O-N 2.92Å |
| 594 | A | 90.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.2 | -45 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L568 F576 Y589 S590 T591 R592 E596 V598 | L568-A594 HydrophobicContact CD1-CB 3.5Å; L568-A594 HydrophobicContact CD2-CB 4.31Å; F576-A594 HydrophobicContact CB-CB 4.46Å; F576-A594 HydrophobicContact CD1-CB 3.95Å; F576-A594 HydrophobicContact CD2-CB 3.68Å; F576-A594 HydrophobicContact CE1-CB 4.09Å; F576-A594 HydrophobicContact CE2-CB 3.78Å; F576-A594 HydrophobicContact CG-CB 3.74Å; F576-A594 HydrophobicContact CZ-CB 3.99Å; Y589-A594 HydrophobicContact CE2-CB 3.9Å; S590-A594 WeakPolarHBondContact O-CB 3.41Å; S590-A594 PolarHBondContact O-N 2.96Å; T591-A594 PolarHBondContact O-N 3.36Å; R592-A594 PolarHBondContact O-N 3.34Å; A594-E596 PolarHBondContact O-N 3.23Å; A594-V598 VanDerWaalsContact O-CB 3.27Å; A594-V598 WeakPolarHBondContact O-CB 3.35Å; A594-V598 VanDerWaalsContact O-CG2 3.22Å; A594-V598 WeakPolarHBondContact O-CG2 3.36Å; A594-V598 PolarHBondContact O-N 3.03Å |
| 595 | S | 91.5 | Very high | 88.5 | Confident | 6 Ų | 6 | 25.8 Ų | 25.8 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64 | -39 | 176.4 | 74 | 0 | 0 | 0 | 0 | 112.3 | T591 R592 N599 A772 | T591-S595 WeakPolarHBondContact O-CB 3.23Å; T591-S595 PolarHBondContact O-N 3.41Å; T591-S595 PolarHBondContact O-OG 3.11Å; R592-S595 PolarHBondContact O-N 3.41Å; R592-S595 VanDerWaalsContact O-N 3.17Å; R592-S595 PolarHBondContact O-OG 2.98Å; S595-N599 WeakPolarHBondContact O-CB 3.49Å; S595-N599 PolarHBondContact O-N 3.07Å; S595-N599 PolarHBondContact O-ND2 3.15Å; S595-A772 WeakPolarHBondContact OG-CB 3.48Å |
| 596 | E | 88.2 | Confident | 89.4 | Confident | 87 Ų | 87 | 25 Ų | 25 | 41% | 0.407 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.7 | -50.8 | 178.8 | -73.6 | 175.5 | -177.1 | 0 | 0 | 110.8 | R592 L593 A594 V598 N599 D600 | R592-E596 WeakPolarHBondContact CG-OE1 3.43Å; R592-E596 IonicContact CZ-OE1 3.8Å; R592-E596 IonicContact NE-OE1 3.28Å; R592-E596 PolarHBondContact NE-OE1 3.24Å; R592-E596 IonicContact NH2-OE1 3.83Å; R592-E596 WeakPolarHBondContact O-CG 3.35Å; R592-E596 PolarHBondContact O-N 3.02Å; L593-E596 PolarHBondContact O-N 3.08Å; A594-E596 PolarHBondContact O-N 3.23Å; E596-V598 PolarHBondContact O-N 3.01Å; E596-N599 PolarHBondContact O-N 3.1Å; E596-D600 WeakPolarHBondContact O-CB 3.34Å; E596-D600 PolarHBondContact O-N 2.88Å |
| 597 | V | 86 | Confident | 90 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 178.5 | 170 | 0 | 0 | 0 | 0 | 111.3 | L119 Y575 F576 R579 L593 D600 E601 | L119-V597 HydrophobicContact CD2-CG2 4.3Å; Y575-V597 HydrophobicContact CE1-CG1 4.19Å; F576-V597 HydrophobicContact CD2-CB 4.11Å; F576-V597 HydrophobicContact CD2-CG1 4.23Å; F576-V597 HydrophobicContact CD2-CG2 4.42Å; F576-V597 HydrophobicContact CE2-CB 4.38Å; F576-V597 HydrophobicContact CE2-CG2 4.22Å; R579-V597 HydrophobicContact CG-CG1 4.19Å; L593-V597 HydrophobicContact CD1-CG2 4.14Å; L593-V597 VanDerWaalsContact O-CG2 3.3Å; L593-V597 WeakPolarHBondContact O-CG2 3.41Å; L593-V597 PolarHBondContact O-N 2.92Å; V597-D600 PolarHBondContact O-N 3.31Å; V597-E601 WeakPolarHBondContact O-CB 3.33Å; V597-E601 PolarHBondContact O-N 3.17Å |
| 598 | V | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.7 | -42.5 | -177.6 | 165.4 | 0 | 0 | 0 | 0 | 111.3 | G572 Y575 F576 A594 E596 L602 A603 F767 V770 | G572-V598 VanDerWaalsContact O-CG2 3.24Å; G572-V598 WeakPolarHBondContact O-CG2 3.46Å; Y575-V598 HydrophobicContact CD1-CG2 4.28Å; F576-V598 HydrophobicContact CB-CG2 4.24Å; A594-V598 VanDerWaalsContact O-CB 3.27Å; A594-V598 WeakPolarHBondContact O-CB 3.35Å; A594-V598 VanDerWaalsContact O-CG2 3.22Å; A594-V598 WeakPolarHBondContact O-CG2 3.36Å; A594-V598 PolarHBondContact O-N 3.03Å; E596-V598 PolarHBondContact O-N 3.01Å; V598-L602 HydrophobicContact CG1-CD1 4.18Å; V598-L602 WeakPolarHBondContact O-CA 3.43Å; V598-L602 VanDerWaalsContact O-CB 3.28Å; V598-L602 WeakPolarHBondContact O-CB 3.4Å; V598-L602 PolarHBondContact O-N 3.21Å; V598-A603 PolarHBondContact O-N 3.38Å; V598-F767 HydrophobicContact CG1-CD1 4.35Å; V598-F767 HydrophobicContact CG1-CE1 3.23Å; V598-F767 HydrophobicContact CG1-CE2 4.33Å; V598-F767 HydrophobicContact CG1-CZ 3.22Å; V598-V770 HydrophobicContact CG1-CG2 4.15Å |
| 599 | N | 92.5 | Very high | 91.3 | Very high | 17 Ų | 17 | 24.9 Ų | 24.9 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -65.7 | -42.6 | 176.2 | -79.3 | -38.7 | 0 | 0 | 0 | 112.3 | S595 E596 A603 N604 R769 V770 | S595-N599 WeakPolarHBondContact O-CB 3.49Å; S595-N599 PolarHBondContact O-N 3.07Å; S595-N599 PolarHBondContact O-ND2 3.15Å; E596-N599 PolarHBondContact O-N 3.1Å; N599-A603 WeakPolarHBondContact O-CB 3.4Å; N599-A603 PolarHBondContact O-N 3.22Å; N599-N604 WeakPolarHBondContact O-CB 3.25Å; N599-N604 VanDerWaalsContact O-CG 3.22Å; N599-N604 PolarHBondContact O-N 2.63Å; N599-N604 PolarHBondContact O-ND2 2.65Å; N599-R769 VanDerWaalsContact OD1-CA 3.24Å; N599-R769 WeakPolarHBondContact OD1-CA 3.44Å; N599-V770 PolarHBondContact ND2-O 3.12Å; N599-V770 PolarHBondContact OD1-N 3.43Å |
| 600 | D | 89.6 | Confident | 91.6 | Very high | 58 Ų | 58 | 25.3 Ų | 25.3 | 31% | 0.31 | 13% | 0.134 | S | C | . | . | I | π-helix | trans | -65.4 | -51.9 | -179.7 | -171.4 | 58.6 | 0 | 0 | 0 | 111.4 | E596 V597 N604 G605 | E596-D600 WeakPolarHBondContact O-CB 3.34Å; E596-D600 PolarHBondContact O-N 2.88Å; V597-D600 PolarHBondContact O-N 3.31Å; D600-N604 CarbonylContact O-C 3.58Å; D600-N604 WeakPolarHBondContact O-CB 3.48Å; D600-G605 PolarHBondContact O-N 3.05Å |
| 601 | E | 92.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -85.9 | -45.7 | -169.9 | -60.3 | -175.4 | 155.7 | 0 | 0 | 112.3 | Y575 R579 V597 G605 I606 V670 | Y575-E601 HydrophobicContact CE1-CB 4.1Å; Y575-E601 WeakPolarHBondContact CE1-OE2 3.31Å; Y575-E601 VanDerWaalsContact CZ-OE2 3.25Å; Y575-E601 WeakPolarHBondContact OH-CB 3.33Å; Y575-E601 PolarHBondContact OH-OE2 3.29Å; R579-E601 IonicContact CZ-OE1 2.81Å; R579-E601 IonicContact NE-OE1 2.77Å; R579-E601 PolarHBondContact NE-OE1 2.87Å; R579-E601 IonicContact NE-OE2 3.81Å; R579-E601 PolarHBondContact NE-OE2 2.86Å; R579-E601 IonicContact NH2-OE1 3.54Å; R579-E601 PolarHBondContact NH2-OE1 3.34Å; V597-E601 WeakPolarHBondContact O-CB 3.33Å; V597-E601 PolarHBondContact O-N 3.17Å; E601-G605 WeakPolarHBondContact O-CA 3.38Å; E601-I606 PolarHBondContact O-N 3.25Å; E601-V670 HydrophobicContact CB-CG1 4.29Å; E601-V670 HydrophobicContact CB-CG2 4.26Å; E601-V670 HydrophobicContact CG-CG1 3.88Å; E601-V670 HydrophobicContact CG-CG2 4.41Å |
| 602 | L | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -83.2 | -48.9 | -177.2 | -58.1 | -171.9 | 0 | 0 | 0 | 112.9 | Y575 V598 I606 G607 L723 F767 | Y575-L602 HydrophobicContact CD1-CD1 4.12Å; Y575-L602 HydrophobicContact CD1-CD2 4.22Å; Y575-L602 HydrophobicContact CD1-CG 4.03Å; Y575-L602 HydrophobicContact CD2-CD1 4.29Å; Y575-L602 HydrophobicContact CD2-CD2 3.65Å; Y575-L602 HydrophobicContact CD2-CG 4.29Å; Y575-L602 HydrophobicContact CE1-CD2 4.2Å; Y575-L602 HydrophobicContact CE1-CG 4.23Å; Y575-L602 HydrophobicContact CE2-CD2 3.61Å; Y575-L602 HydrophobicContact CE2-CG 4.44Å; Y575-L602 HydrophobicContact CG-CD1 3.84Å; Y575-L602 HydrophobicContact CG-CD2 3.95Å; Y575-L602 HydrophobicContact CG-CG 4.06Å; V598-L602 HydrophobicContact CG1-CD1 4.18Å; V598-L602 WeakPolarHBondContact O-CA 3.43Å; V598-L602 VanDerWaalsContact O-CB 3.28Å; V598-L602 WeakPolarHBondContact O-CB 3.4Å; V598-L602 PolarHBondContact O-N 3.21Å; L602-I606 HydrophobicContact CD2-CD1 3.95Å; L602-G607 PolarHBondContact O-N 2.95Å; L602-L723 HydrophobicContact CB-CD2 4.42Å; L602-L723 HydrophobicContact CD1-CD2 4.04Å; L602-L723 HydrophobicContact CD2-CD2 3.91Å; L602-L723 HydrophobicContact CG-CD2 4.37Å; L602-F767 HydrophobicContact CB-CB 4.37Å; L602-F767 HydrophobicContact CB-CD1 3.85Å; L602-F767 HydrophobicContact CB-CD2 4.31Å; L602-F767 HydrophobicContact CB-CE1 4.27Å; L602-F767 HydrophobicContact CB-CG 3.89Å; L602-F767 HydrophobicContact CD1-CD2 3.97Å; L602-F767 HydrophobicContact CD1-CE1 4.46Å; L602-F767 HydrophobicContact CD1-CE2 3.78Å; L602-F767 HydrophobicContact CD1-CG 4.38Å; L602-F767 HydrophobicContact CD1-CZ 4.07Å |
| 603 | A | 93.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -79.2 | -57 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V598 N599 G607 N608 F767 R769 | V598-A603 PolarHBondContact O-N 3.38Å; N599-A603 WeakPolarHBondContact O-CB 3.4Å; N599-A603 PolarHBondContact O-N 3.22Å; A603-G607 CarbonylContact O-C 3.46Å; A603-G607 WeakPolarHBondContact O-CA 3.32Å; A603-G607 PolarHBondContact O-N 3.27Å; A603-N608 PolarHBondContact O-N 3.3Å; A603-F767 HydrophobicContact CB-CD1 4.11Å; A603-R769 HydrophobicContact CB-CG 3.76Å |
| 604 | N | 88.8 | Confident | 92.7 | Very high | 60 Ų | 60 | 21.5 Ų | 21.5 | 32% | 0.321 | 13% | 0.127 | S | C | . | . | I | π-helix | trans | -81.3 | -27.8 | -173.7 | -59.5 | -29 | 0 | 0 | 0 | 113.1 | N599 D600 N608 R769 | N599-N604 WeakPolarHBondContact O-CB 3.25Å; N599-N604 VanDerWaalsContact O-CG 3.22Å; N599-N604 PolarHBondContact O-N 2.63Å; N599-N604 PolarHBondContact O-ND2 2.65Å; D600-N604 CarbonylContact O-C 3.58Å; D600-N604 WeakPolarHBondContact O-CB 3.48Å; N604-N608 WeakPolarHBondContact O-CB 3.34Å; N604-N608 PolarHBondContact O-ND2 2.97Å; N604-R769 PolarHBondContact OD1-NH1 3.24Å |
| 605 | G | 91.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 23 Ų | 23 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -82.3 | -78 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D600 E601 L609 N677 | D600-G605 PolarHBondContact O-N 3.05Å; E601-G605 WeakPolarHBondContact O-CA 3.38Å; G605-L609 WeakPolarHBondContact O-CB 3.39Å; G605-L609 PolarHBondContact O-N 2.99Å; G605-N677 PolarHBondContact O-ND2 3.23Å |
| 606 | I | 96.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -68.5 | -52.4 | -173.4 | -65.9 | 173.3 | 0 | 0 | 0 | 111.6 | E601 L602 N608 L609 L610 V673 L709 L716 I727 | E601-I606 PolarHBondContact O-N 3.25Å; L602-I606 HydrophobicContact CD2-CD1 3.95Å; I606-N608 PolarHBondContact O-N 3.03Å; I606-L609 PolarHBondContact O-N 3.32Å; I606-L610 PolarHBondContact O-N 2.65Å; I606-V673 HydrophobicContact CG1-CG1 3.97Å; I606-V673 HydrophobicContact CG1-CG2 4.1Å; I606-L709 HydrophobicContact CG2-CD1 4.08Å; I606-L716 HydrophobicContact CD1-CD1 3.6Å; I606-I727 HydrophobicContact CG2-CD1 3.41Å; I606-I727 VanDerWaalsContact CG2-CD1 3.41Å; I606-I727 HydrophobicContact CG2-CG1 4.4Å |
| 607 | G | 95.1 | Very high | 92.5 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 17% | 0.165 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -67.1 | -39.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | L602 A603 L610 G611 C766 | L602-G607 PolarHBondContact O-N 2.95Å; A603-G607 CarbonylContact O-C 3.46Å; A603-G607 WeakPolarHBondContact O-CA 3.32Å; A603-G607 PolarHBondContact O-N 3.27Å; G607-L610 PolarHBondContact O-N 2.97Å; G607-G611 PolarHBondContact O-N 3.24Å; G607-C766 WeakPolarHBondContact CA-SG 3.48Å |
| 608 | N | 93.6 | Very high | 92.7 | Very high | 73 Ų | 73 | 27.8 Ų | 27.8 | 39% | 0.39 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 172 | -178.1 | 40.1 | 0 | 0 | 0 | 111.9 | A603 N604 I606 L610 G611 R612 | A603-N608 PolarHBondContact O-N 3.3Å; N604-N608 WeakPolarHBondContact O-CB 3.34Å; N604-N608 PolarHBondContact O-ND2 2.97Å; I606-N608 PolarHBondContact O-N 3.03Å; N608-L610 VanDerWaalsContact C-N 3.35Å; N608-L610 PolarHBondContact O-N 2.67Å; N608-G611 PolarHBondContact O-N 2.89Å; N608-R612 WeakPolarHBondContact O-CB 3.27Å; N608-R612 VanDerWaalsContact O-CG 3.24Å; N608-R612 WeakPolarHBondContact O-CG 3.29Å; N608-R612 PolarHBondContact O-N 2.98Å; N608-R612 WeakPolarHBondContact OD1-CD 3.47Å |
| 609 | L | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.4 | -48.9 | 178 | -179.6 | 59.2 | 0 | 0 | 0 | 110.8 | G605 I606 G611 R612 I613 V673 T676 V680 L709 | G605-L609 WeakPolarHBondContact O-CB 3.39Å; G605-L609 PolarHBondContact O-N 2.99Å; I606-L609 PolarHBondContact O-N 3.32Å; L609-G611 PolarHBondContact O-N 3.24Å; L609-R612 PolarHBondContact O-N 3.39Å; L609-I613 HydrophobicContact CD1-CG2 3.87Å; L609-I613 HydrophobicContact CG-CD1 4.43Å; L609-I613 WeakPolarHBondContact O-CG1 3.13Å; L609-I613 WeakPolarHBondContact O-CG2 3.39Å; L609-I613 PolarHBondContact O-N 2.67Å; L609-V673 HydrophobicContact CD2-CG1 4.13Å; L609-T676 HydrophobicContact CD1-CG2 4.08Å; L609-T676 HydrophobicContact CD2-CG2 3.71Å; L609-V680 HydrophobicContact CD1-CG2 3.96Å; L609-L709 HydrophobicContact CD2-CB 4.43Å; L609-L709 HydrophobicContact CD2-CD1 4.38Å |
| 610 | L | 95.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.052 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.5 | -50.1 | 177.2 | -176.7 | 63.1 | 0 | 0 | 0 | 111.5 | I606 G607 N608 R612 I613 T614 L709 I727 R730 L731 C766 | I606-L610 PolarHBondContact O-N 2.65Å; G607-L610 PolarHBondContact O-N 2.97Å; N608-L610 VanDerWaalsContact C-N 3.35Å; N608-L610 PolarHBondContact O-N 2.67Å; L610-R612 VanDerWaalsContact C-N 3.32Å; L610-R612 PolarHBondContact O-N 2.88Å; L610-I613 PolarHBondContact O-N 2.96Å; L610-T614 HydrophobicContact CD1-CG2 3.75Å; L610-T614 WeakPolarHBondContact O-CB 3.21Å; L610-T614 WeakPolarHBondContact O-CG2 3.48Å; L610-T614 PolarHBondContact O-N 3.31Å; L610-T614 PolarHBondContact O-OG1 2.76Å; L610-L709 HydrophobicContact CB-CD2 3.82Å; L610-L709 HydrophobicContact CD1-CD2 3.63Å; L610-L709 HydrophobicContact CG-CD2 4.33Å; L610-I727 HydrophobicContact CD1-CG2 4.18Å; L610-I727 HydrophobicContact CD2-CG1 4.15Å; L610-I727 HydrophobicContact CD2-CG2 4.37Å; L610-R730 HydrophobicContact CD1-CB 4.2Å; L610-R730 HydrophobicContact CD1-CG 3.82Å; L610-R730 HydrophobicContact CD2-CB 4.28Å; L610-R730 HydrophobicContact CD2-CG 4.08Å; L610-R730 HydrophobicContact CG-CG 4.15Å; L610-L731 HydrophobicContact CD1-CD2 4.19Å; L610-L731 HydrophobicContact CD1-CG 4.37Å; L610-C766 HydrophobicContact CD2-CB 3.84Å |
| 611 | G | 92.9 | Very high | 91.6 | Very high | 45 Ų | 45 | 38.3 Ų | 38.3 | 46% | 0.464 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.6 | -38.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | G607 N608 L609 S615 | G607-G611 PolarHBondContact O-N 3.24Å; N608-G611 PolarHBondContact O-N 2.89Å; L609-G611 PolarHBondContact O-N 3.24Å; G611-S615 PolarHBondContact O-N 3.33Å |
| 612 | R | 93.2 | Very high | 91.5 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 18% | 0.177 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69 | -43.4 | 179.5 | -70.9 | 171.3 | 72.5 | -170.4 | 12.3 | 112.4 | N608 L609 L610 L618 N677 | N608-R612 WeakPolarHBondContact O-CB 3.27Å; N608-R612 VanDerWaalsContact O-CG 3.24Å; N608-R612 WeakPolarHBondContact O-CG 3.29Å; N608-R612 PolarHBondContact O-N 2.98Å; N608-R612 WeakPolarHBondContact OD1-CD 3.47Å; L609-R612 PolarHBondContact O-N 3.39Å; L610-R612 VanDerWaalsContact C-N 3.32Å; L610-R612 PolarHBondContact O-N 2.88Å; R612-L618 WeakPolarHBondContact O-CD1 3.37Å; R612-N677 PolarHBondContact NH1-OD1 2.81Å |
| 613 | I | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -84.9 | -19.8 | -174.9 | 72.5 | -175.7 | 0 | 0 | 0 | 113.2 | L609 L610 L619 V680 L702 A705 M706 L709 | L609-I613 HydrophobicContact CD1-CG2 3.87Å; L609-I613 HydrophobicContact CG-CD1 4.43Å; L609-I613 WeakPolarHBondContact O-CG1 3.13Å; L609-I613 WeakPolarHBondContact O-CG2 3.39Å; L609-I613 PolarHBondContact O-N 2.67Å; L610-I613 PolarHBondContact O-N 2.96Å; I613-L619 WeakPolarHBondContact O-CD1 3.27Å; I613-V680 HydrophobicContact CG2-CG2 4.03Å; I613-L702 HydrophobicContact CB-CD2 4.1Å; I613-L702 HydrophobicContact CG2-CD2 4.39Å; I613-A705 HydrophobicContact CD1-CB 4.34Å; I613-A705 HydrophobicContact CG2-CB 3.82Å; I613-M706 HydrophobicContact CD1-CB 4.42Å; I613-M706 HydrophobicContact CD1-CG 3.76Å; I613-M706 HydrophobicContact CG1-CG 4.15Å; I613-M706 WeakPolarHBondContact O-CE 3.34Å; I613-L709 HydrophobicContact CD1-CB 4.34Å; I613-L709 HydrophobicContact CD1-CD2 3.83Å |
| 614 | T | 93.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 14.6 | 178.4 | 65.9 | 0 | 0 | 0 | 0 | 113.8 | L610 K616 M706 R730 L731 | L610-T614 HydrophobicContact CD1-CG2 3.75Å; L610-T614 WeakPolarHBondContact O-CB 3.21Å; L610-T614 WeakPolarHBondContact O-CG2 3.48Å; L610-T614 PolarHBondContact O-N 3.31Å; L610-T614 PolarHBondContact O-OG1 2.76Å; T614-K616 PolarHBondContact O-N 3.4Å; T614-M706 HydrophobicContact CG2-CE 4.47Å; T614-R730 HydrophobicContact CG2-CG 4.27Å; T614-L731 HydrophobicContact CG2-CD2 3.99Å |
| 615 | S | 90.8 | Very high | 91.6 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 23% | 0.231 | 23% | 0.23 | C | C | . | . | trans | -64.2 | 131.1 | 177.8 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | G611 S617 L618 L619 | G611-S615 PolarHBondContact O-N 3.33Å; S615-S617 PolarHBondContact O-N 3.4Å; S615-S617 VanDerWaalsContact O-N 3.09Å; S615-S617 PolarHBondContact OG-N 3.29Å; S615-S617 PolarHBondContact OG-OG 3.42Å; S615-L618 PolarHBondContact O-N 2.95Å; S615-L619 PolarHBondContact O-N 2.99Å | ||
| 616 | K | 87.9 | Confident | 91.6 | Very high | 105 Ų | 105 | 43.4 Ų | 43.4 | 46% | 0.457 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26 | 174 | -65.8 | -171.9 | 177.7 | -172.4 | 0 | 112.9 | T614 L618 L760 | T614-K616 PolarHBondContact O-N 3.4Å; K616-L618 VanDerWaalsContact C-N 3.28Å; K616-L618 PolarHBondContact O-N 3.24Å; K616-L760 HydrophobicContact CG-CD1 4.21Å |
| 617 | S | 88.2 | Confident | 91.3 | Very high | 80 Ų | 80 | 45.2 Ų | 45.2 | 56% | 0.559 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -23.9 | 176.6 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | S615 | S615-S617 PolarHBondContact O-N 3.4Å; S615-S617 VanDerWaalsContact O-N 3.09Å; S615-S617 PolarHBondContact OG-N 3.29Å; S615-S617 PolarHBondContact OG-OG 3.42Å |
| 618 | L | 89.3 | Confident | 91 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -33.4 | 179.1 | -60.4 | -179.8 | 0 | 0 | 0 | 111.7 | R612 S615 K616 P685 V689 L698 L702 | R612-L618 WeakPolarHBondContact O-CD1 3.37Å; S615-L618 PolarHBondContact O-N 2.95Å; K616-L618 VanDerWaalsContact C-N 3.28Å; K616-L618 PolarHBondContact O-N 3.24Å; L618-P685 HydrophobicContact CD1-CB 4.12Å; L618-P685 HydrophobicContact CD1-CG 4.25Å; L618-P685 HydrophobicContact CD2-CB 4.33Å; L618-P685 WeakPolarHBondContact CD2-O 3.41Å; L618-V689 HydrophobicContact CD2-CB 4.06Å; L618-V689 HydrophobicContact CD2-CG1 4.02Å; L618-L698 HydrophobicContact CD2-CD1 4.46Å; L618-L702 HydrophobicContact CB-CD1 4.19Å; L618-L702 HydrophobicContact CD1-CD2 4.13Å |
| 619 | L | 89.1 | Confident | 90.6 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | trans | -107.1 | 82.4 | -172.6 | -63.9 | 164 | 0 | 0 | 0 | 111.3 | I613 S615 N621 N622 L702 M706 L758 L760 | I613-L619 WeakPolarHBondContact O-CD1 3.27Å; S615-L619 PolarHBondContact O-N 2.99Å; L619-N621 PolarHBondContact O-N 3.43Å; L619-N621 VanDerWaalsContact O-N 3.1Å; L619-N622 PolarHBondContact O-N 3.45Å; L619-N622 VanDerWaalsContact O-N 3.16Å; L619-N622 PolarHBondContact O-OD1 3.03Å; L619-L702 HydrophobicContact CD2-CD1 3.91Å; L619-L702 HydrophobicContact CG-CD1 4.49Å; L619-M706 HydrophobicContact CD1-CE 3.74Å; L619-M706 HydrophobicContact CD2-CE 3.96Å; L619-M706 HydrophobicContact CG-CE 4.41Å; L619-L758 HydrophobicContact CD1-CD1 3.48Å; L619-L758 VanDerWaalsContact CD1-CD1 3.48Å; L619-L758 HydrophobicContact CD2-CD1 4.45Å; L619-L760 HydrophobicContact CD1-CD1 4.48Å | ||
| 620 | K | 80.1 | Confident | 90.2 | Very high | 160 Ų | 160 | 53.9 Ų | 53.9 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.3 | -176.3 | -66.9 | -178.9 | -178.6 | 171.8 | 0 | 114.1 | ||
| 621 | N | 85.8 | Confident | 89.6 | Confident | 126 Ų | 126 | 53.9 Ų | 53.9 | 67% | 0.674 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 1.4 | -176.8 | -59.7 | -10.3 | 0 | 0 | 0 | 113.5 | L619 L623 | L619-N621 PolarHBondContact O-N 3.43Å; L619-N621 VanDerWaalsContact O-N 3.1Å; N621-L623 HydrophobicContact CB-CD1 4.25Å; N621-L623 HydrophobicContact CB-CG 3.99Å; N621-L623 WeakPolarHBondContact O-CG 3.46Å; N621-L623 PolarHBondContact O-N 2.99Å; N621-L623 VanDerWaalsContact O-N 3.08Å |
| 622 | N | 90.7 | Very high | 89.2 | Confident | 57 Ų | 57 | 53 Ų | 53 | 31% | 0.305 | 27% | 0.271 | S | S | . | . | trans | 51.8 | 25.7 | -172.6 | -54.1 | -29.7 | 0 | 0 | 0 | 114.6 | L619 L758 L760 | L619-N622 PolarHBondContact O-N 3.45Å; L619-N622 VanDerWaalsContact O-N 3.16Å; L619-N622 PolarHBondContact O-OD1 3.03Å; N622-L758 WeakPolarHBondContact O-CB 3.34Å; N622-L758 WeakPolarHBondContact O-CG 3.33Å; N622-L758 PolarHBondContact O-N 3.11Å; N622-L760 HydrophobicContact CB-CD1 3.96Å; N622-L760 HydrophobicContact CB-CG 4.5Å; N622-L760 WeakPolarHBondContact OD1-CD1 3.45Å | ||
| 623 | L | 93.3 | Very high | 88.7 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -99.8 | 151 | 177.6 | -56.1 | -176.5 | 0 | 0 | 0 | 110.2 | N621 G755 T756 P757 | N621-L623 HydrophobicContact CB-CD1 4.25Å; N621-L623 HydrophobicContact CB-CG 3.99Å; N621-L623 WeakPolarHBondContact O-CG 3.46Å; N621-L623 PolarHBondContact O-N 2.99Å; N621-L623 VanDerWaalsContact O-N 3.08Å; L623-G755 WeakPolarHBondContact CD2-O 3.45Å; L623-T756 WeakPolarHBondContact CA-O 3.43Å; L623-P757 HydrophobicContact CD2-CB 4.41Å; L623-P757 HydrophobicContact CD2-CG 4.28Å |
| 624 | F | 93.2 | Very high | 87.9 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 121.7 | 167.2 | -155.9 | -75.2 | 0 | 0 | 0 | 108.9 | Y703 M706 Q707 L753 G755 T756 L758 | F624-Y703 HydrophobicContact CD1-CD2 4.21Å; F624-Y703 AromaticContact CE1-CD2 3.67Å; F624-Y703 HydrophobicContact CE1-CD2 3.67Å; F624-Y703 HydrophobicContact CE1-CE2 4.01Å; F624-M706 HydrophobicContact CD2-SD 4.06Å; F624-M706 HydrophobicContact CE1-CB 4.34Å; F624-M706 HydrophobicContact CE2-CB 3.73Å; F624-M706 HydrophobicContact CE2-CG 4.48Å; F624-M706 HydrophobicContact CE2-SD 4.04Å; F624-M706 HydrophobicContact CG-SD 4.36Å; F624-M706 HydrophobicContact CZ-CB 3.54Å; F624-M706 HydrophobicContact CZ-SD 4.32Å; F624-Q707 HydrophobicContact CZ-CG 4.29Å; F624-L753 WeakPolarHBondContact CB-O 3.24Å; F624-L753 HydrophobicContact CD1-CB 3.96Å; F624-L753 HydrophobicContact CD2-CB 4.09Å; F624-L753 HydrophobicContact CD2-CD1 4.48Å; F624-L753 HydrophobicContact CE1-CB 4.15Å; F624-L753 HydrophobicContact CE2-CB 4.26Å; F624-L753 HydrophobicContact CE2-CD1 3.94Å; F624-L753 HydrophobicContact CG-CB 3.94Å; F624-L753 HydrophobicContact CZ-CB 4.3Å; F624-L753 HydrophobicContact CZ-CD1 3.99Å; F624-G755 PolarHBondContact O-N 3.32Å; F624-T756 PolarHBondContact N-O 3.04Å; F624-L758 HydrophobicContact CD2-CD2 4.09Å |
| 625 | P | 92.9 | Very high | 87 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 7% | 0.071 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 158 | -172.5 | 28.6 | -34.1 | 0 | 0 | 0 | 111.8 | N699 L702 Y703 M706 | P625-N699 HydrophobicContact CB-CB 4Å; P625-L702 HydrophobicContact CG-CB 3.76Å; P625-Y703 VanDerWaalsContact O-CD2 3.27Å; P625-Y703 WeakPolarHBondContact O-CD2 3.47Å; P625-M706 VanDerWaalsContact CD-SD 3.58Å; P625-M706 HydrophobicContact CG-SD 4.24Å |
| 626 | D | 91.9 | Very high | 86.2 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -90 | 164.1 | 166 | -155.4 | -3.9 | 0 | 0 | 0 | 110.9 | N699 R751 V754 | D626-N699 CarbonylContact O-C 3.37Å; D626-N699 WeakPolarHBondContact O-CB 3.32Å; D626-R751 VanDerWaalsContact CG-NH1 3.29Å; D626-R751 WeakPolarHBondContact OD1-CD 3.21Å; D626-R751 IonicContact OD1-CZ 3.39Å; D626-R751 IonicContact OD1-NE 3.83Å; D626-R751 IonicContact OD1-NH1 3.76Å; D626-R751 PolarHBondContact OD1-NH1 2.76Å; D626-R751 VanDerWaalsContact OD1-NH1 3.15Å; D626-R751 IonicContact OD2-CZ 3.64Å; D626-R751 IonicContact OD2-NH1 3.5Å; D626-R751 PolarHBondContact OD2-NH1 3.25Å; D626-V754 HydrophobicContact CB-CG1 3.55Å; D626-V754 HydrophobicContact CB-CG2 4.11Å |
| 627 | Y | 90.3 | Very high | 85.2 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 15% | 0.153 | 33% | 0.334 | C | S | . | . | trans | -107.7 | 157.4 | 171.4 | 71.2 | -90.3 | 0 | 0 | 0 | 111.7 | E629 V632 Y703 F704 R751 | Y627-E629 HydrophobicContact CE2-CG 3.93Å; Y627-V632 HydrophobicContact CD2-CG2 3.42Å; Y627-V632 VanDerWaalsContact CD2-CG2 3.42Å; Y627-V632 HydrophobicContact CE2-CG2 4.02Å; Y627-V632 HydrophobicContact CG-CG2 4.26Å; Y627-Y703 AromaticContact CD1-CD1 3.72Å; Y627-Y703 HydrophobicContact CD1-CD1 3.72Å; Y627-Y703 HydrophobicContact CD1-CD2 4.16Å; Y627-Y703 AromaticContact CD1-CE1 3.42Å; Y627-Y703 HydrophobicContact CD1-CE1 3.42Å; Y627-Y703 VanDerWaalsContact CD1-CE1 3.42Å; Y627-Y703 AromaticContact CD1-CE2 3.88Å; Y627-Y703 HydrophobicContact CD1-CE2 3.88Å; Y627-Y703 HydrophobicContact CD1-CG 4.1Å; Y627-Y703 AromaticContact CD1-CZ 3.5Å; Y627-Y703 HydrophobicContact CE1-CE1 4.01Å; Y627-Y703 HydrophobicContact CE1-CE2 4.45Å; Y627-Y703 AromaticContact CE1-CZ 3.86Å; Y627-Y703 HydrophobicContact CG-CD1 4.08Å; Y627-Y703 HydrophobicContact CG-CE1 4.15Å; Y627-F704 HydrophobicContact CG-CE2 4.44Å; Y627-R751 HydrophobicContact CE1-CG 3.79Å | ||
| 628 | H | 89.2 | Confident | 83.8 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 31% | 0.306 | 35% | 0.345 | S | S | . | . | trans | -108.6 | 124.5 | 174.8 | -168.3 | -96.7 | 0 | 0 | 0 | 110.6 | T630 V631 V632 E696 T700 | H628-T630 PolarHBondContact CE1-OG1 2.9Å; H628-T630 PolarHBondContact ND1-OG1 2.93Å; H628-T630 PolarHBondContact O-N 3.49Å; H628-V631 HydrophobicContact CB-CB 4.38Å; H628-V631 HydrophobicContact CB-CG2 4.05Å; H628-V631 PolarHBondContact O-N 3.47Å; H628-V632 WeakPolarHBondContact O-CG2 3.4Å; H628-V632 PolarHBondContact O-N 3.42Å; H628-E696 HydrophobicContact CB-CB 3.92Å; H628-E696 HydrophobicContact CB-CG 4.34Å; H628-E696 IonicContact CD2-OE1 3.52Å; H628-E696 IonicContact CD2-OE2 2.74Å; H628-E696 IonicContact CE1-OE2 3.51Å; H628-E696 IonicContact CG-OE2 3.1Å; H628-E696 IonicContact ND1-OE2 2.78Å; H628-E696 IonicContact NE2-OE1 3.67Å; H628-E696 IonicContact NE2-OE2 3.37Å; H628-T700 PolarHBondContact N-OG1 3.37Å | ||
| 629 | E | 85.9 | Confident | 81.6 | Confident | 124 Ų | 124 | 74 Ų | 74 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57.9 | -43.7 | -170.4 | -74.2 | 175.3 | -167.2 | 0 | 0 | 113.1 | Y627 V631 V632 S633 R751 | Y627-E629 HydrophobicContact CE2-CG 3.93Å; E629-V631 VanDerWaalsContact C-N 3.26Å; E629-V631 PolarHBondContact O-N 2.98Å; E629-V632 WeakPolarHBondContact O-CB 3.5Å; E629-V632 PolarHBondContact O-N 3.47Å; E629-V632 VanDerWaalsContact O-N 3.11Å; E629-S633 PolarHBondContact O-N 2.91Å; E629-S633 VanDerWaalsContact O-N 3.12Å; E629-S633 PolarHBondContact O-OG 3.32Å; E629-R751 IonicContact OE1-NH2 3.58Å; E629-R751 PolarHBondContact OE1-NH2 2.95Å |
| 630 | T | 85.6 | Confident | 80 | Confident | 81 Ų | 81 | 74.8 Ų | 74.8 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 178.6 | -31.5 | 0 | 0 | 0 | 0 | 111.7 | H628 S633 E634 | H628-T630 PolarHBondContact CE1-OG1 2.9Å; H628-T630 PolarHBondContact ND1-OG1 2.93Å; H628-T630 PolarHBondContact O-N 3.49Å; T630-S633 PolarHBondContact O-N 3.39Å; T630-E634 WeakPolarHBondContact O-CG 3.35Å; T630-E634 PolarHBondContact O-N 3.3Å; T630-E634 VanDerWaalsContact O-N 3.12Å |
| 631 | V | 84.5 | Confident | 79.8 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.6 | -30.7 | 178.5 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | H628 E629 E634 C635 E696 R697 T700 | H628-V631 HydrophobicContact CB-CB 4.38Å; H628-V631 HydrophobicContact CB-CG2 4.05Å; H628-V631 PolarHBondContact O-N 3.47Å; E629-V631 VanDerWaalsContact C-N 3.26Å; E629-V631 PolarHBondContact O-N 2.98Å; V631-E634 PolarHBondContact O-N 2.95Å; V631-C635 VanDerWaalsContact O-CB 3.3Å; V631-C635 WeakPolarHBondContact O-CB 3.42Å; V631-C635 PolarHBondContact O-N 3.2Å; V631-C635 PolarHBondContact O-SG 3.16Å; V631-E696 HydrophobicContact CG2-CB 4.32Å; V631-R697 HydrophobicContact CG1-CB 3.97Å; V631-R697 HydrophobicContact CG1-CG 3.87Å; V631-T700 HydrophobicContact CB-CG2 4.31Å; V631-T700 HydrophobicContact CG1-CG2 4.08Å |
| 632 | V | 84.2 | Confident | 79.6 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 170.7 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | Y627 H628 E629 E634 C635 F636 I643 T700 F704 | Y627-V632 HydrophobicContact CD2-CG2 3.42Å; Y627-V632 VanDerWaalsContact CD2-CG2 3.42Å; Y627-V632 HydrophobicContact CE2-CG2 4.02Å; Y627-V632 HydrophobicContact CG-CG2 4.26Å; H628-V632 WeakPolarHBondContact O-CG2 3.4Å; H628-V632 PolarHBondContact O-N 3.42Å; E629-V632 WeakPolarHBondContact O-CB 3.5Å; E629-V632 PolarHBondContact O-N 3.47Å; E629-V632 VanDerWaalsContact O-N 3.11Å; V632-E634 VanDerWaalsContact C-N 3.27Å; V632-E634 PolarHBondContact O-N 3.22Å; V632-C635 PolarHBondContact O-N 3.06Å; V632-F636 HydrophobicContact CB-CD2 4.37Å; V632-F636 HydrophobicContact CG1-CD2 3.63Å; V632-F636 HydrophobicContact CG1-CE2 4.15Å; V632-F636 WeakPolarHBondContact O-CB 3.43Å; V632-F636 WeakPolarHBondContact O-CD2 3.39Å; V632-F636 PolarHBondContact O-N 3.07Å; V632-I643 HydrophobicContact CG1-CD1 3.87Å; V632-T700 HydrophobicContact CG2-CG2 4Å; V632-F704 HydrophobicContact CB-CE2 4.48Å; V632-F704 HydrophobicContact CG1-CE2 4.13Å; V632-F704 HydrophobicContact CG1-CZ 4.03Å; V632-F704 HydrophobicContact CG2-CE2 3.67Å; V632-F704 HydrophobicContact CG2-CZ 4.05Å |
| 633 | S | 81.4 | Confident | 79.3 | Confident | 87 Ų | 87 | 62.2 Ų | 62.2 | 61% | 0.608 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.5 | -38.4 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | E629 T630 A637 | E629-S633 PolarHBondContact O-N 2.91Å; E629-S633 VanDerWaalsContact O-N 3.12Å; E629-S633 PolarHBondContact O-OG 3.32Å; T630-S633 PolarHBondContact O-N 3.39Å; S633-A637 WeakPolarHBondContact O-CB 3.46Å; S633-A637 PolarHBondContact O-N 3.12Å |
| 634 | E | 79.1 | Confident | 78.8 | Confident | 123 Ų | 123 | 62 Ų | 62 | 58% | 0.575 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -71.1 | -44.9 | 176.1 | -70.4 | 175.2 | -170.2 | 0 | 0 | 113.6 | T630 V631 V632 F636 | T630-E634 WeakPolarHBondContact O-CG 3.35Å; T630-E634 PolarHBondContact O-N 3.3Å; T630-E634 VanDerWaalsContact O-N 3.12Å; V631-E634 PolarHBondContact O-N 2.95Å; V632-E634 VanDerWaalsContact C-N 3.27Å; V632-E634 PolarHBondContact O-N 3.22Å; E634-F636 PolarHBondContact O-N 3.01Å |
| 635 | C | 74.3 | Confident | 78.5 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.2 | -21.7 | -176.7 | -70.3 | 0 | 0 | 0 | 0 | 112.8 | V631 V632 F679 | V631-C635 VanDerWaalsContact O-CB 3.3Å; V631-C635 WeakPolarHBondContact O-CB 3.42Å; V631-C635 PolarHBondContact O-N 3.2Å; V631-C635 PolarHBondContact O-SG 3.16Å; V632-C635 PolarHBondContact O-N 3.06Å; C635-F679 HydrophobicContact CB-CE2 4.46Å |
| 636 | F | 74.3 | Confident | 78.3 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | 33.8 | -169.6 | -56.3 | -67 | 0 | 0 | 0 | 112 | V632 E634 E638 T641 L642 I643 F679 F704 | V632-F636 HydrophobicContact CB-CD2 4.37Å; V632-F636 HydrophobicContact CG1-CD2 3.63Å; V632-F636 HydrophobicContact CG1-CE2 4.15Å; V632-F636 WeakPolarHBondContact O-CB 3.43Å; V632-F636 WeakPolarHBondContact O-CD2 3.39Å; V632-F636 PolarHBondContact O-N 3.07Å; E634-F636 PolarHBondContact O-N 3.01Å; F636-E638 VanDerWaalsContact C-N 3.32Å; F636-E638 PolarHBondContact O-N 3.44Å; F636-T641 HydrophobicContact CB-CG2 3.63Å; F636-T641 WeakPolarHBondContact O-CG2 3.35Å; F636-L642 HydrophobicContact CD1-CB 4.47Å; F636-L642 HydrophobicContact CE1-CB 3.89Å; F636-L642 HydrophobicContact CE1-CD2 4.46Å; F636-I643 HydrophobicContact CD1-CD1 4.35Å; F636-I643 HydrophobicContact CD1-CG1 4.38Å; F636-I643 HydrophobicContact CD2-CD1 3.48Å; F636-I643 VanDerWaalsContact CD2-CD1 3.48Å; F636-I643 HydrophobicContact CD2-CG1 4.3Å; F636-I643 HydrophobicContact CE1-CD1 4.43Å; F636-I643 HydrophobicContact CE1-CG1 4.24Å; F636-I643 HydrophobicContact CE2-CD1 3.58Å; F636-I643 HydrophobicContact CE2-CG1 4.17Å; F636-I643 HydrophobicContact CG-CD1 3.9Å; F636-I643 HydrophobicContact CG-CG1 4.4Å; F636-I643 HydrophobicContact CZ-CD1 4.06Å; F636-I643 HydrophobicContact CZ-CG1 4.12Å; F636-F679 HydrophobicContact CE1-CD2 4.21Å; F636-F679 AromaticContact CE1-CE2 3.68Å; F636-F679 HydrophobicContact CE1-CE2 3.68Å; F636-F679 HydrophobicContact CE1-CZ 4.11Å; F636-F679 HydrophobicContact CZ-CE1 4.48Å; F636-F679 AromaticContact CZ-CE2 3.68Å; F636-F679 HydrophobicContact CZ-CE2 3.68Å; F636-F679 AromaticContact CZ-CZ 3.64Å; F636-F679 HydrophobicContact CZ-CZ 3.64Å; F636-F704 AromaticContact CE2-CD2 3.62Å; F636-F704 HydrophobicContact CE2-CD2 3.62Å; F636-F704 AromaticContact CE2-CE2 3.73Å; F636-F704 HydrophobicContact CE2-CE2 3.73Å; F636-F704 HydrophobicContact CE2-CG 4.15Å; F636-F704 HydrophobicContact CE2-CZ 4.33Å; F636-F704 HydrophobicContact CZ-CB 4.32Å; F636-F704 AromaticContact CZ-CD2 3.9Å; F636-F704 HydrophobicContact CZ-CD2 3.9Å; F636-F704 HydrophobicContact CZ-CE2 4.43Å; F636-F704 HydrophobicContact CZ-CG 4.04Å |
| 637 | A | 65.4 | Low | 78.2 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 70% | 0.702 | 34% | 0.335 | S | S | * | . | trans | -73.3 | -16.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | S633 | S633-A637 WeakPolarHBondContact O-CB 3.46Å; S633-A637 PolarHBondContact O-N 3.12Å | ||
| 638 | E | 58.3 | Low | 78.1 | Confident | 169 Ų | 169 | 64.1 Ų | 64.1 | 79% | 0.79 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -85.1 | 156 | -175.6 | -62.6 | -179 | 174.8 | 0 | 0 | 112.9 | F636 T641 | F636-E638 VanDerWaalsContact C-N 3.32Å; F636-E638 PolarHBondContact O-N 3.44Å; E638-T641 VanDerWaalsContact O-CG2 3.26Å; E638-T641 WeakPolarHBondContact O-CG2 3.05Å |
| 639 | E | 43.3 | Very low | 78.2 | Confident | 200 Ų | 200 | 61.4 Ų | 61.4 | 94% | 0.935 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -66.8 | 131.9 | 175.5 | -74.5 | -179.9 | 161.6 | 0 | 0 | 111.1 | ||
| 640 | A | 57 | Low | 78.6 | Confident | 25 Ų | 25 | 55.5 Ų | 55.5 | 21% | 0.207 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 70.6 | 59.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | E644 | A640-E644 WeakPolarHBondContact CA-OE2 3.1Š|
| 641 | T | 74.7 | Confident | 78.9 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 18% | 0.184 | 29% | 0.29 | C | S | . | . | trans | -62.7 | 156.5 | -179.5 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | F636 E638 I643 E644 K645 | F636-T641 HydrophobicContact CB-CG2 3.63Å; F636-T641 WeakPolarHBondContact O-CG2 3.35Å; E638-T641 VanDerWaalsContact O-CG2 3.26Å; E638-T641 WeakPolarHBondContact O-CG2 3.05Å; T641-I643 PolarHBondContact O-N 3.23Å; T641-I643 VanDerWaalsContact O-N 3.13Å; T641-E644 PolarHBondContact O-N 3.05Å; T641-E644 PolarHBondContact OG1-N 3.48Å; T641-K645 PolarHBondContact O-N 2.85Å | ||
| 642 | L | 81.7 | Confident | 79 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -50.1 | -36.9 | 171.1 | -178.9 | 68.5 | 0 | 0 | 0 | 112.2 | F636 L646 M672 Q675 F679 | F636-L642 HydrophobicContact CD1-CB 4.47Å; F636-L642 HydrophobicContact CE1-CB 3.89Å; F636-L642 HydrophobicContact CE1-CD2 4.46Å; L642-L646 VanDerWaalsContact O-CB 3.22Å; L642-L646 WeakPolarHBondContact O-CB 3.38Å; L642-L646 PolarHBondContact O-N 3.43Å; L642-M672 HydrophobicContact CD1-SD 3.72Å; L642-Q675 HydrophobicContact CD1-CB 4.04Å; L642-F679 HydrophobicContact CD2-CB 3.99Å; L642-F679 HydrophobicContact CD2-CD1 3.84Å; L642-F679 HydrophobicContact CD2-CD2 4.34Å; L642-F679 HydrophobicContact CD2-CE1 4.42Å; L642-F679 HydrophobicContact CD2-CG 3.79Å |
| 643 | I | 84 | Confident | 79.3 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -43.2 | -179.8 | -62 | 173.1 | 0 | 0 | 0 | 111.2 | V632 F636 T641 L646 N647 F704 | V632-I643 HydrophobicContact CG1-CD1 3.87Å; F636-I643 HydrophobicContact CD1-CD1 4.35Å; F636-I643 HydrophobicContact CD1-CG1 4.38Å; F636-I643 HydrophobicContact CD2-CD1 3.48Å; F636-I643 VanDerWaalsContact CD2-CD1 3.48Å; F636-I643 HydrophobicContact CD2-CG1 4.3Å; F636-I643 HydrophobicContact CE1-CD1 4.43Å; F636-I643 HydrophobicContact CE1-CG1 4.24Å; F636-I643 HydrophobicContact CE2-CD1 3.58Å; F636-I643 HydrophobicContact CE2-CG1 4.17Å; F636-I643 HydrophobicContact CG-CD1 3.9Å; F636-I643 HydrophobicContact CG-CG1 4.4Å; F636-I643 HydrophobicContact CZ-CD1 4.06Å; F636-I643 HydrophobicContact CZ-CG1 4.12Å; T641-I643 PolarHBondContact O-N 3.23Å; T641-I643 VanDerWaalsContact O-N 3.13Å; I643-L646 PolarHBondContact O-N 3.24Å; I643-N647 WeakPolarHBondContact O-CB 3.31Å; I643-N647 PolarHBondContact O-N 3.24Å; I643-N647 PolarHBondContact O-ND2 2.83Å; I643-F704 HydrophobicContact CD1-CD1 3.96Å; I643-F704 HydrophobicContact CD1-CE1 3.36Å; I643-F704 HydrophobicContact CD1-CE2 4.18Å; I643-F704 HydrophobicContact CD1-CZ 3.5Å; I643-F704 VanDerWaalsContact CD1-CZ 3.5Å; I643-F704 HydrophobicContact CG1-CD1 3.8Å; I643-F704 HydrophobicContact CG1-CE1 3.63Å; I643-F704 HydrophobicContact CG1-CZ 4.26Å |
| 644 | E | 84.5 | Confident | 79.9 | Confident | 64 Ų | 64 | 49.7 Ų | 49.7 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -47.4 | 178.5 | -175 | -179.5 | 169.6 | 0 | 0 | 110.8 | A640 T641 L646 N647 R648 | A640-E644 WeakPolarHBondContact CA-OE2 3.1Å; T641-E644 PolarHBondContact O-N 3.05Å; T641-E644 PolarHBondContact OG1-N 3.48Å; E644-L646 VanDerWaalsContact C-N 3.33Å; E644-L646 PolarHBondContact O-N 3.35Å; E644-N647 PolarHBondContact O-N 3.26Å; E644-R648 WeakPolarHBondContact O-CG 3.46Å; E644-R648 PolarHBondContact O-N 3.44Å; E644-R648 VanDerWaalsContact O-N 3.08Å; E644-R648 IonicContact OE1-CZ 2.92Å; E644-R648 IonicContact OE1-NH1 3.31Å; E644-R648 PolarHBondContact OE1-NH1 3.46Å; E644-R648 IonicContact OE1-NH2 3.9Å; E644-R648 PolarHBondContact OE1-NH2 2.87Å |
| 645 | K | 86 | Confident | 80.3 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 15% | 0.148 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 176.1 | -65.6 | -180 | -178.4 | 169.9 | 0 | 111.6 | E224 T641 N647 R648 L649 M672 Q675 | E224-K645 WeakPolarHBondContact OE1-CE 3.25Å; E224-K645 IonicContact OE1-NZ 2.71Å; E224-K645 PolarHBondContact OE1-NZ 2.92Å; T641-K645 PolarHBondContact O-N 2.85Å; K645-N647 VanDerWaalsContact C-N 3.34Å; K645-N647 PolarHBondContact O-N 3.41Å; K645-R648 PolarHBondContact O-N 2.98Å; K645-L649 PolarHBondContact O-N 3.43Å; K645-M672 VanDerWaalsContact C-CE 3.43Å; K645-M672 HydrophobicContact CB-CE 3.54Å; K645-Q675 VanDerWaalsContact CD-OE1 3.23Å |
| 646 | L | 89 | Confident | 80.9 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -37.7 | 177.8 | -179.2 | 57.9 | 0 | 0 | 0 | 112.2 | L642 I643 E644 P650 M672 A708 V711 L745 | L642-L646 VanDerWaalsContact O-CB 3.22Å; L642-L646 WeakPolarHBondContact O-CB 3.38Å; L642-L646 PolarHBondContact O-N 3.43Å; I643-L646 PolarHBondContact O-N 3.24Å; E644-L646 VanDerWaalsContact C-N 3.33Å; E644-L646 PolarHBondContact O-N 3.35Å; L646-P650 VanDerWaalsContact O-CD 3.3Å; L646-P650 WeakPolarHBondContact O-CD 3.25Å; L646-M672 HydrophobicContact CB-CE 4.1Å; L646-M672 HydrophobicContact CB-SD 4.21Å; L646-M672 HydrophobicContact CD1-CG 4.3Å; L646-M672 HydrophobicContact CD1-SD 4.23Å; L646-M672 VanDerWaalsContact N-CE 3.34Å; L646-A708 HydrophobicContact CD1-CB 4.27Å; L646-A708 HydrophobicContact CD2-CB 3.95Å; L646-V711 HydrophobicContact CD1-CB 3.86Å; L646-V711 HydrophobicContact CD1-CG1 3.96Å; L646-V711 HydrophobicContact CD1-CG2 4.17Å; L646-L745 HydrophobicContact CD2-CD1 3.84Å; L646-L745 HydrophobicContact CG-CD1 4.21Å |
| 647 | N | 88.6 | Confident | 81.8 | Confident | 47 Ų | 47 | 42.3 Ų | 42.3 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.3 | -30 | 176 | -81.4 | -39.6 | 0 | 0 | 0 | 113.2 | I643 E644 K645 L745 | I643-N647 WeakPolarHBondContact O-CB 3.31Å; I643-N647 PolarHBondContact O-N 3.24Å; I643-N647 PolarHBondContact O-ND2 2.83Å; E644-N647 PolarHBondContact O-N 3.26Å; K645-N647 VanDerWaalsContact C-N 3.34Å; K645-N647 PolarHBondContact O-N 3.41Å; N647-L745 WeakPolarHBondContact OD1-CB 3.41Å |
| 648 | R | 89.8 | Confident | 83 | Confident | 69 Ų | 69 | 40.3 Ų | 40.3 | 26% | 0.26 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -80.9 | -29.8 | 177 | -73.2 | -173.5 | 173.5 | 134.8 | 17.1 | 113.6 | N228 F231 E644 K645 P650 D651 F652 | N228-R648 PolarHBondContact OD1-NH1 2.83Å; F231-R648 HydrophobicContact CD1-CB 4.22Å; F231-R648 HydrophobicContact CE1-CB 3.61Å; F231-R648 HydrophobicContact CE1-CG 4.43Å; F231-R648 HydrophobicContact CE2-CB 4.25Å; F231-R648 HydrophobicContact CZ-CB 3.71Å; E644-R648 WeakPolarHBondContact O-CG 3.46Å; E644-R648 PolarHBondContact O-N 3.44Å; E644-R648 VanDerWaalsContact O-N 3.08Å; E644-R648 IonicContact OE1-CZ 2.92Å; E644-R648 IonicContact OE1-NH1 3.31Å; E644-R648 PolarHBondContact OE1-NH1 3.46Å; E644-R648 IonicContact OE1-NH2 3.9Å; E644-R648 PolarHBondContact OE1-NH2 2.87Å; K645-R648 PolarHBondContact O-N 2.98Å; R648-P650 VanDerWaalsContact C-CD 3.49Å; R648-D651 PolarHBondContact O-N 2.97Å; R648-F652 PolarHBondContact O-N 2.76Å |
| 649 | L | 90.3 | Very high | 84.4 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -51.1 | -46.4 | -174.7 | 177.3 | 68.7 | 0 | 0 | 0 | 114.4 | K645 D651 F652 V653 A668 V669 M672 V711 L715 | K645-L649 PolarHBondContact O-N 3.43Å; L649-D651 VanDerWaalsContact C-N 3.34Å; L649-D651 PolarHBondContact O-N 3.28Å; L649-F652 PolarHBondContact O-N 3.03Å; L649-V653 HydrophobicContact CD1-CG2 3.83Å; L649-V653 HydrophobicContact CG-CG2 4.27Å; L649-V653 WeakPolarHBondContact O-CG2 3.43Å; L649-V653 PolarHBondContact O-N 3.13Å; L649-A668 HydrophobicContact CD1-CB 3.85Å; L649-V669 HydrophobicContact CD1-CG2 4.29Å; L649-V669 HydrophobicContact CD2-CG2 4.48Å; L649-M672 HydrophobicContact CD2-CB 3.86Å; L649-M672 HydrophobicContact CD2-CG 3.85Å; L649-V711 HydrophobicContact CD2-CG1 4.48Å; L649-L715 HydrophobicContact CD2-CD1 3.87Å; L649-L715 HydrophobicContact CG-CD1 3.75Å |
| 650 | P | 94.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | -177.4 | -24.2 | 35.3 | 0 | 0 | 0 | 113.4 | L646 R648 A654 V711 L715 F740 C743 | L646-P650 VanDerWaalsContact O-CD 3.3Å; L646-P650 WeakPolarHBondContact O-CD 3.25Å; R648-P650 VanDerWaalsContact C-CD 3.49Å; P650-A654 WeakPolarHBondContact O-CB 3.44Å; P650-A654 PolarHBondContact O-N 3.01Å; P650-V711 HydrophobicContact CG-CG1 4.09Å; P650-L715 HydrophobicContact CB-CD2 4.46Å; P650-L715 HydrophobicContact CG-CD1 4.4Å; P650-F740 HydrophobicContact CB-CE2 3.82Å; P650-F740 HydrophobicContact CB-CZ 4.08Å; P650-F740 WeakPolarHBondContact O-CE2 3.29Å; P650-C743 HydrophobicContact CB-CB 3.8Å; P650-C743 HydrophobicContact CG-CB 3.64Å |
| 651 | D | 91.6 | Very high | 88.2 | Confident | 54 Ų | 54 | 30.1 Ų | 30.1 | 29% | 0.289 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -69.8 | -36.5 | -178.6 | -69.9 | -29 | 0 | 0 | 0 | 111.1 | R648 L649 A655 K744 | R648-D651 PolarHBondContact O-N 2.97Å; L649-D651 VanDerWaalsContact C-N 3.34Å; L649-D651 PolarHBondContact O-N 3.28Å; D651-A655 PolarHBondContact O-N 3.4Å; D651-A655 VanDerWaalsContact O-N 3.16Å; D651-K744 WeakPolarHBondContact OD1-CE 3.15Å; D651-K744 IonicContact OD1-NZ 3.93Å; D651-K744 PolarHBondContact OD1-NZ 3.37Å; D651-K744 IonicContact OD2-NZ 2.94Å; D651-K744 PolarHBondContact OD2-NZ 2.76Å |
| 652 | F | 86.5 | Confident | 89 | Confident | 17 Ų | 17 | 29 Ų | 29 | 8% | 0.075 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.5 | -50.2 | 173.6 | 179.9 | -85 | 0 | 0 | 0 | 112.3 | F230 F231 R648 L649 A654 A655 S656 Q664 A668 | F230-F652 AromaticContact CD1-CD2 3.85Å; F230-F652 HydrophobicContact CD1-CD2 3.85Å; F230-F652 AromaticContact CD1-CE2 3.54Å; F230-F652 HydrophobicContact CD1-CE2 3.54Å; F230-F652 AromaticContact CE1-CD2 3.65Å; F230-F652 HydrophobicContact CE1-CD2 3.65Å; F230-F652 AromaticContact CE1-CE2 3.35Å; F230-F652 HydrophobicContact CE1-CE2 3.35Å; F230-F652 HydrophobicContact CE1-CZ 4.35Å; F230-F652 HydrophobicContact CZ-CE2 4.47Å; F231-F652 HydrophobicContact CD1-CB 4.4Å; F231-F652 HydrophobicContact CE1-CB 3.52Å; F231-F652 HydrophobicContact CE1-CD2 4.06Å; F231-F652 HydrophobicContact CE1-CG 4.2Å; F231-F652 HydrophobicContact CZ-CB 4.01Å; F231-F652 HydrophobicContact CZ-CD2 4.21Å; F231-F652 HydrophobicContact CZ-CG 4.38Å; R648-F652 PolarHBondContact O-N 2.76Å; L649-F652 PolarHBondContact O-N 3.03Å; F652-A654 PolarHBondContact O-N 2.87Å; F652-A655 PolarHBondContact O-N 2.94Å; F652-S656 PolarHBondContact O-N 3.4Å; F652-S656 PolarHBondContact O-OG 2.93Å; F652-Q664 HydrophobicContact CE1-CG 3.85Å; F652-Q664 HydrophobicContact CZ-CG 3.67Å; F652-A668 HydrophobicContact CD1-CB 3.62Å; F652-A668 HydrophobicContact CE1-CB 3.49Å; F652-A668 VanDerWaalsContact CE1-CB 3.49Å; F652-A668 HydrophobicContact CZ-CB 4.45Å |
| 653 | V | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.1 | -40.3 | 178.4 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | L649 A655 S656 Y657 A665 V669 L715 | L649-V653 HydrophobicContact CD1-CG2 3.83Å; L649-V653 HydrophobicContact CG-CG2 4.27Å; L649-V653 WeakPolarHBondContact O-CG2 3.43Å; L649-V653 PolarHBondContact O-N 3.13Å; V653-A655 PolarHBondContact O-N 3.48Å; V653-S656 PolarHBondContact O-N 3.32Å; V653-Y657 HydrophobicContact CG1-CD2 3.56Å; V653-Y657 HydrophobicContact CG1-CE2 3.37Å; V653-Y657 HydrophobicContact CG1-CG 4.27Å; V653-Y657 WeakPolarHBondContact O-CB 3.41Å; V653-Y657 PolarHBondContact O-N 3.39Å; V653-A665 HydrophobicContact CG1-CB 4.1Å; V653-A665 HydrophobicContact CG2-CB 4.41Å; V653-V669 HydrophobicContact CG2-CG2 3.79Å; V653-L715 HydrophobicContact CB-CD1 4.28Å; V653-L715 HydrophobicContact CB-CD2 4.25Å; V653-L715 HydrophobicContact CG1-CB 4.24Å; V653-L715 HydrophobicContact CG1-CD2 3.94Å; V653-L715 HydrophobicContact CG1-CG 4.45Å; V653-L715 HydrophobicContact CG2-CD1 4.1Å |
| 654 | A | 93.1 | Very high | 89.3 | Confident | 12 Ų | 12 | 30.2 Ų | 30.2 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W287 P650 F652 Y657 D658 F740 | W287-A654 HydrophobicContact CH2-CB 3.53Å; W287-A654 HydrophobicContact CZ2-CB 3.52Å; P650-A654 WeakPolarHBondContact O-CB 3.44Å; P650-A654 PolarHBondContact O-N 3.01Å; F652-A654 PolarHBondContact O-N 2.87Å; A654-Y657 PolarHBondContact O-N 2.95Å; A654-D658 WeakPolarHBondContact O-CB 3.35Å; A654-D658 VanDerWaalsContact O-CG 3.31Å; A654-D658 PolarHBondContact O-N 3.22Å; A654-F740 HydrophobicContact CB-CE1 4.43Å; A654-F740 HydrophobicContact CB-CE2 4.09Å; A654-F740 HydrophobicContact CB-CZ 3.67Å |
| 655 | A | 86.5 | Confident | 89.4 | Confident | 20 Ų | 20 | 27.2 Ų | 27.2 | 17% | 0.165 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.4 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L234 D651 F652 V653 N659 | L234-A655 HydrophobicContact CD1-CB 3.66Å; L234-A655 HydrophobicContact CD2-CB 3.64Å; L234-A655 HydrophobicContact CG-CB 4.09Å; D651-A655 PolarHBondContact O-N 3.4Å; D651-A655 VanDerWaalsContact O-N 3.16Å; F652-A655 PolarHBondContact O-N 2.94Å; V653-A655 PolarHBondContact O-N 3.48Å; A655-N659 PolarHBondContact O-N 3.45Å; A655-N659 PolarHBondContact O-ND2 3.1Å |
| 656 | S | 87.4 | Confident | 89.6 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.1 | -70.6 | 0 | 0 | 0 | 0 | 111.4 | F652 V653 N659 M660 N661 Q664 | F652-S656 PolarHBondContact O-N 3.4Å; F652-S656 PolarHBondContact O-OG 2.93Å; V653-S656 PolarHBondContact O-N 3.32Å; S656-N659 CarbonylContact O-C 3.58Å; S656-N659 PolarHBondContact O-N 2.68Å; S656-M660 PolarHBondContact O-N 3.34Å; S656-M660 VanDerWaalsContact O-N 3.16Å; S656-N661 PolarHBondContact O-N 2.95Å; S656-Q664 PolarHBondContact OG-OE1 3.09Å; S656-Q664 VanDerWaalsContact OG-OE1 3.06Å |
| 657 | Y | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.2 | -34.8 | 177.4 | -72.2 | -20.4 | 0 | 0 | 0 | 113.9 | W287 V653 A654 N659 M660 F662 A665 L715 P718 V719 | W287-Y657 HydrophobicContact CB-CD2 4.41Å; W287-Y657 AromaticContact CD2-CD2 3.65Å; W287-Y657 HydrophobicContact CD2-CD2 3.65Å; W287-Y657 HydrophobicContact CD2-CG 4.15Å; W287-Y657 AromaticContact CE3-CD2 3.58Å; W287-Y657 HydrophobicContact CE3-CD2 3.58Å; W287-Y657 HydrophobicContact CE3-CE2 4.32Å; W287-Y657 HydrophobicContact CG-CD2 4.04Å; W287-Y657 HydrophobicContact CG-CG 4.21Å; W287-Y657 HydrophobicContact CZ3-CD2 4.11Å; V653-Y657 HydrophobicContact CG1-CD2 3.56Å; V653-Y657 HydrophobicContact CG1-CE2 3.37Å; V653-Y657 HydrophobicContact CG1-CG 4.27Å; V653-Y657 WeakPolarHBondContact O-CB 3.41Å; V653-Y657 PolarHBondContact O-N 3.39Å; A654-Y657 PolarHBondContact O-N 2.95Å; Y657-N659 PolarHBondContact O-N 3.43Å; Y657-M660 WeakPolarHBondContact O-CA 3.27Å; Y657-M660 PolarHBondContact O-N 2.94Å; Y657-F662 AromaticContact CD1-CD1 3.43Å; Y657-F662 HydrophobicContact CD1-CD1 3.43Å; Y657-F662 VanDerWaalsContact CD1-CD1 3.43Å; Y657-F662 AromaticContact CD1-CE1 3.65Å; Y657-F662 HydrophobicContact CD1-CE1 3.65Å; Y657-F662 HydrophobicContact CD1-CG 4.29Å; Y657-F662 HydrophobicContact CE1-CB 4.39Å; Y657-F662 AromaticContact CE1-CD1 3.32Å; Y657-F662 HydrophobicContact CE1-CD1 3.32Å; Y657-F662 AromaticContact CE1-CE1 3.89Å; Y657-F662 HydrophobicContact CE1-CE1 3.89Å; Y657-F662 HydrophobicContact CE1-CG 4.23Å; Y657-F662 HydrophobicContact CG-CD1 4.45Å; Y657-F662 HydrophobicContact CG-CE1 4.29Å; Y657-A665 HydrophobicContact CD1-CB 3.49Å; Y657-A665 VanDerWaalsContact CD1-CB 3.49Å; Y657-A665 HydrophobicContact CE1-CB 3.14Å; Y657-A665 HydrophobicContact CE2-CB 4.49Å; Y657-A665 HydrophobicContact CG-CB 4.3Å; Y657-L715 WeakPolarHBondContact CE2-O 3.39Å; Y657-L715 PolarHBondContact OH-O 3.36Å; Y657-L715 VanDerWaalsContact OH-O 3.13Å; Y657-P718 HydrophobicContact CE2-CB 4.46Å; Y657-P718 HydrophobicContact CE2-CG 4.03Å; Y657-V719 VanDerWaalsContact OH-CG2 3.31Å; Y657-V719 WeakPolarHBondContact OH-CG2 3.36Å |
| 658 | D | 89.4 | Confident | 89.3 | Confident | 42 Ų | 42 | 25.9 Ų | 25.9 | 23% | 0.225 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61 | -28.6 | 172.3 | -80.4 | -3.9 | 0 | 0 | 0 | 112.2 | R241 W287 K291 A654 | R241-D658 IonicContact NH1-OD2 3.26Å; W287-D658 PolarHBondContact NE1-OD1 3.49Å; K291-D658 IonicContact NZ-OD1 3.3Å; K291-D658 PolarHBondContact NZ-OD1 3.04Å; K291-D658 IonicContact NZ-OD2 2.82Å; A654-D658 WeakPolarHBondContact O-CB 3.35Å; A654-D658 VanDerWaalsContact O-CG 3.31Å; A654-D658 PolarHBondContact O-N 3.22Å |
| 659 | N | 88.2 | Confident | 89.4 | Confident | 113 Ų | 113 | 22.6 Ų | 22.6 | 60% | 0.604 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 8.2 | 172.2 | -67.1 | -61.3 | 0 | 0 | 0 | 113.6 | A655 S656 Y657 N661 | A655-N659 PolarHBondContact O-N 3.45Å; A655-N659 PolarHBondContact O-ND2 3.1Å; S656-N659 CarbonylContact O-C 3.58Å; S656-N659 PolarHBondContact O-N 2.68Å; Y657-N659 PolarHBondContact O-N 3.43Å; N659-N661 PolarHBondContact O-N 2.81Å; N659-N661 VanDerWaalsContact O-N 3.16Å |
| 660 | M | 92.2 | Very high | 89.3 | Confident | 10 Ų | 10 | 22.5 Ų | 22.5 | 5% | 0.049 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 27.7 | -178.7 | -56.9 | 174.3 | 73.5 | 0 | 0 | 113.8 | I280 T284 V510 F539 S656 Y657 F662 | I280-M660 HydrophobicContact CG2-CE 3.44Å; I280-M660 VanDerWaalsContact CG2-CE 3.44Å; T284-M660 HydrophobicContact CG2-CE 4.27Å; T284-M660 HydrophobicContact CG2-CG 4.38Å; T284-M660 HydrophobicContact CG2-SD 4.48Å; T284-M660 WeakPolarHBondContact OG1-CE 3.34Å; V510-M660 HydrophobicContact CG2-CE 3.68Å; F539-M660 HydrophobicContact CB-CE 3.96Å; F539-M660 HydrophobicContact CB-SD 3.68Å; F539-M660 HydrophobicContact CD1-CE 3.65Å; F539-M660 HydrophobicContact CD1-SD 4.09Å; F539-M660 HydrophobicContact CD2-CB 3.94Å; F539-M660 HydrophobicContact CD2-CE 4.29Å; F539-M660 HydrophobicContact CD2-CG 4.34Å; F539-M660 HydrophobicContact CD2-SD 3.62Å; F539-M660 HydrophobicContact CE1-CB 4.28Å; F539-M660 HydrophobicContact CE1-CE 4.13Å; F539-M660 HydrophobicContact CE2-CB 3.51Å; F539-M660 HydrophobicContact CE2-CG 4.39Å; F539-M660 HydrophobicContact CE2-SD 4.21Å; F539-M660 HydrophobicContact CG-CB 4.47Å; F539-M660 HydrophobicContact CG-CE 3.7Å; F539-M660 HydrophobicContact CG-SD 3.52Å; F539-M660 VanDerWaalsContact CG-SD 3.52Å; F539-M660 HydrophobicContact CZ-CB 3.66Å; S656-M660 PolarHBondContact O-N 3.34Å; S656-M660 VanDerWaalsContact O-N 3.16Å; Y657-M660 WeakPolarHBondContact O-CA 3.27Å; Y657-M660 PolarHBondContact O-N 2.94Å; M660-F662 HydrophobicContact CB-CE2 4.11Å; M660-F662 WeakPolarHBondContact O-CD2 3.48Å; M660-F662 PolarHBondContact O-N 3.25Å |
| 661 | N | 89.2 | Confident | 88.8 | Confident | 57 Ų | 57 | 23.3 Ų | 23.3 | 31% | 0.305 | 13% | 0.129 | S | C | . | . | trans | -92.6 | 73.4 | 174.8 | -169.3 | -3.9 | 0 | 0 | 0 | 110.7 | S656 N659 A663 Q664 A665 | S656-N661 PolarHBondContact O-N 2.95Å; N659-N661 PolarHBondContact O-N 2.81Å; N659-N661 VanDerWaalsContact O-N 3.16Å; N661-A663 PolarHBondContact O-N 3.43Å; N661-Q664 HydrophobicContact CB-CB 4.39Å; N661-Q664 VanDerWaalsContact CG-CB 3.48Å; N661-Q664 WeakPolarHBondContact ND2-CB 3.31Å; N661-Q664 PolarHBondContact ND2-OE1 2.75Å; N661-Q664 PolarHBondContact O-N 3.46Å; N661-Q664 WeakPolarHBondContact OD1-CB 3.34Å; N661-Q664 PolarHBondContact OD1-N 3.21Å; N661-A665 PolarHBondContact O-N 3.26Å | ||
| 662 | F | 91.4 | Very high | 88.7 | Confident | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.035 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -39.6 | -177.1 | -64.1 | -79.9 | 0 | 0 | 0 | 113 | I280 A283 T284 L578 Y657 M660 Q664 A665 I666 | I280-F662 HydrophobicContact CG2-CE2 4.19Å; A283-F662 HydrophobicContact CB-CD1 3.89Å; A283-F662 HydrophobicContact CB-CE1 3.38Å; A283-F662 HydrophobicContact CB-CE2 4.28Å; A283-F662 HydrophobicContact CB-CZ 3.6Å; T284-F662 WeakPolarHBondContact OG1-CZ 3.34Å; L578-F662 HydrophobicContact CB-CB 4.23Å; L578-F662 HydrophobicContact CD2-CB 4.22Å; L578-F662 HydrophobicContact CD2-CD2 4.1Å; L578-F662 HydrophobicContact CD2-CG 4.1Å; Y657-F662 AromaticContact CD1-CD1 3.43Å; Y657-F662 HydrophobicContact CD1-CD1 3.43Å; Y657-F662 VanDerWaalsContact CD1-CD1 3.43Å; Y657-F662 AromaticContact CD1-CE1 3.65Å; Y657-F662 HydrophobicContact CD1-CE1 3.65Å; Y657-F662 HydrophobicContact CD1-CG 4.29Å; Y657-F662 HydrophobicContact CE1-CB 4.39Å; Y657-F662 AromaticContact CE1-CD1 3.32Å; Y657-F662 HydrophobicContact CE1-CD1 3.32Å; Y657-F662 AromaticContact CE1-CE1 3.89Å; Y657-F662 HydrophobicContact CE1-CE1 3.89Å; Y657-F662 HydrophobicContact CE1-CG 4.23Å; Y657-F662 HydrophobicContact CG-CD1 4.45Å; Y657-F662 HydrophobicContact CG-CE1 4.29Å; M660-F662 HydrophobicContact CB-CE2 4.11Å; M660-F662 WeakPolarHBondContact O-CD2 3.48Å; M660-F662 PolarHBondContact O-N 3.25Å; F662-Q664 VanDerWaalsContact C-N 3.31Å; F662-Q664 PolarHBondContact O-N 2.84Å; F662-A665 PolarHBondContact O-N 3.43Å; F662-I666 HydrophobicContact CB-CD1 4.37Å; F662-I666 WeakPolarHBondContact O-CB 3.43Å; F662-I666 WeakPolarHBondContact O-CD1 3.37Å; F662-I666 WeakPolarHBondContact O-CG1 3.46Å; F662-I666 PolarHBondContact O-N 3.45Å |
| 663 | A | 85.6 | Confident | 88.9 | Confident | 6 Ų | 6 | 20.4 Ų | 20.4 | 5% | 0.05 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.4 | -45.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L578 R579 V582 N661 N667 | L578-A663 WeakPolarHBondContact O-CA 3.46Å; L578-A663 PolarHBondContact O-N 3.42Å; L578-A663 VanDerWaalsContact O-N 3.16Å; R579-A663 VanDerWaalsContact O-CB 3.3Å; R579-A663 WeakPolarHBondContact O-CB 3.39Å; V582-A663 HydrophobicContact CG1-CB 4.07Å; N661-A663 PolarHBondContact O-N 3.43Å; A663-N667 WeakPolarHBondContact O-CB 3.35Å; A663-N667 PolarHBondContact O-N 3.42Å |
| 664 | Q | 84.8 | Confident | 88.7 | Confident | 68 Ų | 68 | 24.4 Ų | 24.4 | 32% | 0.318 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -66.8 | -44.4 | 178.7 | -175 | -177.7 | 29.7 | 0 | 0 | 112.3 | F652 S656 N661 F662 N667 A668 | F652-Q664 HydrophobicContact CE1-CG 3.85Å; F652-Q664 HydrophobicContact CZ-CG 3.67Å; S656-Q664 PolarHBondContact OG-OE1 3.09Å; S656-Q664 VanDerWaalsContact OG-OE1 3.06Å; N661-Q664 HydrophobicContact CB-CB 4.39Å; N661-Q664 VanDerWaalsContact CG-CB 3.48Å; N661-Q664 WeakPolarHBondContact ND2-CB 3.31Å; N661-Q664 PolarHBondContact ND2-OE1 2.75Å; N661-Q664 PolarHBondContact O-N 3.46Å; N661-Q664 WeakPolarHBondContact OD1-CB 3.34Å; N661-Q664 PolarHBondContact OD1-N 3.21Å; F662-Q664 VanDerWaalsContact C-N 3.31Å; F662-Q664 PolarHBondContact O-N 2.84Å; Q664-N667 PolarHBondContact O-N 3.17Å; Q664-A668 PolarHBondContact O-N 3.43Å; Q664-A668 VanDerWaalsContact O-N 3.09Å |
| 665 | A | 87.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V653 Y657 N661 F662 N667 A668 V669 | V653-A665 HydrophobicContact CG1-CB 4.1Å; V653-A665 HydrophobicContact CG2-CB 4.41Å; Y657-A665 HydrophobicContact CD1-CB 3.49Å; Y657-A665 VanDerWaalsContact CD1-CB 3.49Å; Y657-A665 HydrophobicContact CE1-CB 3.14Å; Y657-A665 HydrophobicContact CE2-CB 4.49Å; Y657-A665 HydrophobicContact CG-CB 4.3Å; N661-A665 PolarHBondContact O-N 3.26Å; F662-A665 PolarHBondContact O-N 3.43Å; A665-N667 VanDerWaalsContact C-N 3.34Å; A665-N667 PolarHBondContact O-N 3.05Å; A665-A668 PolarHBondContact O-N 2.84Å; A665-V669 WeakPolarHBondContact O-CG2 3.26Å; A665-V669 PolarHBondContact O-N 2.98Å; A665-V669 VanDerWaalsContact O-N 3.12Å |
| 666 | I | 91 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 178.3 | -62.3 | 160.1 | 0 | 0 | 0 | 110.1 | Y575 L578 R579 F662 A668 V669 V670 L716 V719 | Y575-I666 HydrophobicContact CD2-CG2 4.44Å; Y575-I666 HydrophobicContact CE2-CG2 3.47Å; Y575-I666 VanDerWaalsContact CE2-CG2 3.47Å; Y575-I666 WeakPolarHBondContact OH-CG2 3.22Å; L578-I666 HydrophobicContact CB-CD1 3.86Å; R579-I666 HydrophobicContact CB-CD1 4.19Å; R579-I666 HydrophobicContact CB-CG2 4.4Å; R579-I666 VanDerWaalsContact CD-CG2 3.5Å; R579-I666 HydrophobicContact CG-CG2 4.43Å; F662-I666 HydrophobicContact CB-CD1 4.37Å; F662-I666 WeakPolarHBondContact O-CB 3.43Å; F662-I666 WeakPolarHBondContact O-CD1 3.37Å; F662-I666 WeakPolarHBondContact O-CG1 3.46Å; F662-I666 PolarHBondContact O-N 3.45Å; I666-A668 VanDerWaalsContact C-N 3.31Å; I666-A668 PolarHBondContact O-N 3.5Å; I666-V669 PolarHBondContact O-N 3.18Å; I666-V669 VanDerWaalsContact O-N 3.14Å; I666-V670 HydrophobicContact CG2-CG2 4.09Å; I666-V670 WeakPolarHBondContact O-CG2 3.42Å; I666-V670 PolarHBondContact O-N 3.33Å; I666-L716 HydrophobicContact CG1-CD2 4.35Å; I666-L716 HydrophobicContact CG2-CD2 4.3Å; I666-V719 HydrophobicContact CD1-CB 4.41Å; I666-V719 HydrophobicContact CD1-CG1 3.65Å; I666-V719 HydrophobicContact CD1-CG2 3.86Å; I666-V719 HydrophobicContact CG1-CG1 4.19Å; I666-V719 HydrophobicContact CG1-CG2 3.83Å |
| 667 | N | 86.8 | Confident | 88.9 | Confident | 44 Ų | 44 | 26 Ų | 26 | 24% | 0.235 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.4 | -46.2 | 176.9 | -168.5 | 79.3 | 0 | 0 | 0 | 111.8 | R579 A663 Q664 A665 V669 V670 T671 | R579-N667 PolarHBondContact NH2-OD1 2.86Å; A663-N667 WeakPolarHBondContact O-CB 3.35Å; A663-N667 PolarHBondContact O-N 3.42Å; Q664-N667 PolarHBondContact O-N 3.17Å; A665-N667 VanDerWaalsContact C-N 3.34Å; A665-N667 PolarHBondContact O-N 3.05Å; N667-V669 PolarHBondContact O-N 3.24Å; N667-V670 PolarHBondContact O-N 3.42Å; N667-T671 WeakPolarHBondContact O-CB 3.25Å; N667-T671 PolarHBondContact O-N 3.37Å; N667-T671 PolarHBondContact O-OG1 3.3Å |
| 668 | A | 83.7 | Confident | 88.6 | Confident | 12 Ų | 12 | 28.2 Ų | 28.2 | 10% | 0.099 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L649 F652 Q664 A665 I666 T671 M672 | L649-A668 HydrophobicContact CD1-CB 3.85Å; F652-A668 HydrophobicContact CD1-CB 3.62Å; F652-A668 HydrophobicContact CE1-CB 3.49Å; F652-A668 VanDerWaalsContact CE1-CB 3.49Å; F652-A668 HydrophobicContact CZ-CB 4.45Å; Q664-A668 PolarHBondContact O-N 3.43Å; Q664-A668 VanDerWaalsContact O-N 3.09Å; A665-A668 PolarHBondContact O-N 2.84Å; I666-A668 VanDerWaalsContact C-N 3.31Å; I666-A668 PolarHBondContact O-N 3.5Å; A668-T671 PolarHBondContact O-N 3.01Å; A668-M672 PolarHBondContact O-N 3.01Å |
| 669 | V | 91.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.1 | -43.3 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | L649 V653 A665 I666 N667 T671 M672 V673 A712 L715 L716 | L649-V669 HydrophobicContact CD1-CG2 4.29Å; L649-V669 HydrophobicContact CD2-CG2 4.48Å; V653-V669 HydrophobicContact CG2-CG2 3.79Å; A665-V669 WeakPolarHBondContact O-CG2 3.26Å; A665-V669 PolarHBondContact O-N 2.98Å; A665-V669 VanDerWaalsContact O-N 3.12Å; I666-V669 PolarHBondContact O-N 3.18Å; I666-V669 VanDerWaalsContact O-N 3.14Å; N667-V669 PolarHBondContact O-N 3.24Å; V669-T671 VanDerWaalsContact C-N 3.34Å; V669-T671 PolarHBondContact O-N 3.42Å; V669-M672 WeakPolarHBondContact O-CB 3.46Å; V669-M672 PolarHBondContact O-N 3.49Å; V669-V673 WeakPolarHBondContact O-CG2 3.47Å; V669-V673 PolarHBondContact O-N 2.79Å; V669-A712 HydrophobicContact CG1-CB 3.56Å; V669-L715 HydrophobicContact CG2-CB 4.08Å; V669-L715 HydrophobicContact CG2-CD1 4.43Å; V669-L716 HydrophobicContact CB-CD2 4.49Å; V669-L716 HydrophobicContact CB-CG 4.42Å; V669-L716 HydrophobicContact CG1-CD1 3.75Å; V669-L716 HydrophobicContact CG1-CD2 4.35Å; V669-L716 HydrophobicContact CG1-CG 3.8Å |
| 670 | V | 87.6 | Confident | 88.8 | Confident | 5 Ų | 5 | 21.4 Ų | 21.4 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | Y575 E601 I666 N667 M672 V673 K674 | Y575-V670 WeakPolarHBondContact OH-CG2 3.02Å; E601-V670 HydrophobicContact CB-CG1 4.29Å; E601-V670 HydrophobicContact CB-CG2 4.26Å; E601-V670 HydrophobicContact CG-CG1 3.88Å; E601-V670 HydrophobicContact CG-CG2 4.41Å; I666-V670 HydrophobicContact CG2-CG2 4.09Å; I666-V670 WeakPolarHBondContact O-CG2 3.42Å; I666-V670 PolarHBondContact O-N 3.33Å; N667-V670 PolarHBondContact O-N 3.42Å; V670-M672 VanDerWaalsContact C-N 3.31Å; V670-M672 PolarHBondContact O-N 2.86Å; V670-V673 WeakPolarHBondContact O-CB 3.33Å; V670-V673 PolarHBondContact O-N 3.38Å; V670-V673 VanDerWaalsContact O-N 3.12Å; V670-K674 HydrophobicContact CG1-CD 4.26Å; V670-K674 HydrophobicContact CG1-CG 4.4Å; V670-K674 WeakPolarHBondContact O-CG 3.36Å; V670-K674 PolarHBondContact O-N 3.44Å |
| 671 | T | 85.9 | Confident | 88.8 | Confident | 17 Ų | 17 | 26 Ų | 26 | 10% | 0.104 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -43.4 | 174.5 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | L223 N667 A668 V669 V673 K674 Q675 | L223-T671 HydrophobicContact CD2-CG2 4.13Å; N667-T671 WeakPolarHBondContact O-CB 3.25Å; N667-T671 PolarHBondContact O-N 3.37Å; N667-T671 PolarHBondContact O-OG1 3.3Å; A668-T671 PolarHBondContact O-N 3.01Å; V669-T671 VanDerWaalsContact C-N 3.34Å; V669-T671 PolarHBondContact O-N 3.42Å; T671-V673 VanDerWaalsContact C-N 3.34Å; T671-V673 PolarHBondContact O-N 2.64Å; T671-K674 PolarHBondContact O-N 3.09Å; T671-Q675 WeakPolarHBondContact O-CG 3.46Å; T671-Q675 PolarHBondContact O-N 3.49Å |
| 672 | M | 89.4 | Confident | 88.9 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.034 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 173.4 | 177.3 | 55.7 | 56.2 | 0 | 0 | 112.2 | L642 K645 L646 L649 A668 V669 V670 Q675 T676 | L642-M672 HydrophobicContact CD1-SD 3.72Å; K645-M672 VanDerWaalsContact C-CE 3.43Å; K645-M672 HydrophobicContact CB-CE 3.54Å; L646-M672 HydrophobicContact CB-CE 4.1Å; L646-M672 HydrophobicContact CB-SD 4.21Å; L646-M672 HydrophobicContact CD1-CG 4.3Å; L646-M672 HydrophobicContact CD1-SD 4.23Å; L646-M672 VanDerWaalsContact N-CE 3.34Å; L649-M672 HydrophobicContact CD2-CB 3.86Å; L649-M672 HydrophobicContact CD2-CG 3.85Å; A668-M672 PolarHBondContact O-N 3.01Å; V669-M672 WeakPolarHBondContact O-CB 3.46Å; V669-M672 PolarHBondContact O-N 3.49Å; V670-M672 VanDerWaalsContact C-N 3.31Å; V670-M672 PolarHBondContact O-N 2.86Å; M672-Q675 PolarHBondContact O-N 3.46Å; M672-T676 WeakPolarHBondContact O-CB 3.13Å; M672-T676 PolarHBondContact O-N 3.11Å; M672-T676 PolarHBondContact O-OG1 3.36Å |
| 673 | V | 90.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.024 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | I606 L609 V669 V670 T671 T676 N677 A712 | I606-V673 HydrophobicContact CG1-CG1 3.97Å; I606-V673 HydrophobicContact CG1-CG2 4.1Å; L609-V673 HydrophobicContact CD2-CG1 4.13Å; V669-V673 WeakPolarHBondContact O-CG2 3.47Å; V669-V673 PolarHBondContact O-N 2.79Å; V670-V673 WeakPolarHBondContact O-CB 3.33Å; V670-V673 PolarHBondContact O-N 3.38Å; V670-V673 VanDerWaalsContact O-N 3.12Å; T671-V673 VanDerWaalsContact C-N 3.34Å; T671-V673 PolarHBondContact O-N 2.64Å; V673-T676 PolarHBondContact O-N 2.85Å; V673-N677 PolarHBondContact O-N 3.29Å; V673-N677 PolarHBondContact O-ND2 3.48Å; V673-A712 HydrophobicContact CG2-CB 3.99Å |
| 674 | K | 86.6 | Confident | 89.3 | Confident | 83 Ų | 83 | 31.2 Ų | 31.2 | 36% | 0.361 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.1 | -47.2 | 174.9 | -73.7 | 178.6 | 177.6 | -179.2 | 0 | 111.3 | V670 T671 T676 N677 A678 | V670-K674 HydrophobicContact CG1-CD 4.26Å; V670-K674 HydrophobicContact CG1-CG 4.4Å; V670-K674 WeakPolarHBondContact O-CG 3.36Å; V670-K674 PolarHBondContact O-N 3.44Å; T671-K674 PolarHBondContact O-N 3.09Å; K674-T676 VanDerWaalsContact C-N 3.32Å; K674-T676 PolarHBondContact O-N 2.93Å; K674-N677 WeakPolarHBondContact O-CB 3.43Å; K674-N677 PolarHBondContact O-N 3.37Å; K674-A678 PolarHBondContact O-N 3.02Å |
| 675 | Q | 88.2 | Confident | 89.7 | Confident | 48 Ų | 48 | 28 Ų | 28 | 22% | 0.224 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 175.6 | -71.9 | 174.2 | -7.5 | 0 | 0 | 111.8 | L642 K645 T671 M672 A678 F679 | L642-Q675 HydrophobicContact CD1-CB 4.04Å; K645-Q675 VanDerWaalsContact CD-OE1 3.23Å; T671-Q675 WeakPolarHBondContact O-CG 3.46Å; T671-Q675 PolarHBondContact O-N 3.49Å; M672-Q675 PolarHBondContact O-N 3.46Å; Q675-A678 WeakPolarHBondContact O-CB 3.37Å; Q675-A678 PolarHBondContact O-N 3.36Å; Q675-F679 PolarHBondContact O-N 3.26Å |
| 676 | T | 91.7 | Very high | 90 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 176.1 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | L609 M672 V673 K674 A678 F679 V680 A705 A708 | L609-T676 HydrophobicContact CD1-CG2 4.08Å; L609-T676 HydrophobicContact CD2-CG2 3.71Å; M672-T676 WeakPolarHBondContact O-CB 3.13Å; M672-T676 PolarHBondContact O-N 3.11Å; M672-T676 PolarHBondContact O-OG1 3.36Å; V673-T676 PolarHBondContact O-N 2.85Å; K674-T676 VanDerWaalsContact C-N 3.32Å; K674-T676 PolarHBondContact O-N 2.93Å; T676-A678 VanDerWaalsContact C-N 3.32Å; T676-A678 PolarHBondContact O-N 3.5Å; T676-F679 PolarHBondContact O-N 2.91Å; T676-V680 WeakPolarHBondContact O-CG2 3.3Å; T676-V680 PolarHBondContact O-N 3.31Å; T676-A705 HydrophobicContact CG2-CB 3.91Å; T676-A708 HydrophobicContact CG2-CB 3.89Å; T676-A708 WeakPolarHBondContact OG1-CB 3.47Å |
| 677 | N | 90.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 173.1 | -91.5 | -68.1 | 0 | 0 | 0 | 112.1 | G605 R612 V673 K674 V680 Q681 | G605-N677 PolarHBondContact O-ND2 3.23Å; R612-N677 PolarHBondContact NH1-OD1 2.81Å; V673-N677 PolarHBondContact O-N 3.29Å; V673-N677 PolarHBondContact O-ND2 3.48Å; K674-N677 WeakPolarHBondContact O-CB 3.43Å; K674-N677 PolarHBondContact O-N 3.37Å; N677-V680 PolarHBondContact O-N 3.24Å; N677-Q681 WeakPolarHBondContact O-CB 3.4Å; N677-Q681 PolarHBondContact O-N 3.31Å |
| 678 | A | 89.2 | Confident | 90.4 | Very high | 45 Ų | 45 | 38 Ų | 38 | 37% | 0.372 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K674 Q675 T676 V680 Q681 Q682 | K674-A678 PolarHBondContact O-N 3.02Å; Q675-A678 WeakPolarHBondContact O-CB 3.37Å; Q675-A678 PolarHBondContact O-N 3.36Å; T676-A678 VanDerWaalsContact C-N 3.32Å; T676-A678 PolarHBondContact O-N 3.5Å; A678-V680 PolarHBondContact O-N 2.76Å; A678-Q681 WeakPolarHBondContact O-CB 3.37Å; A678-Q681 PolarHBondContact O-N 3.45Å; A678-Q681 VanDerWaalsContact O-N 3.11Å; A678-Q682 VanDerWaalsContact O-CG 3.32Å; A678-Q682 WeakPolarHBondContact O-CG 3.35Å; A678-Q682 PolarHBondContact O-N 2.81Å |
| 679 | F | 89.1 | Confident | 90.8 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 6% | 0.057 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.9 | 170.9 | -104.3 | 0 | 0 | 0 | 112.6 | C635 F636 L642 Q675 T676 Q681 Q682 N683 V701 F704 | C635-F679 HydrophobicContact CB-CE2 4.46Å; F636-F679 HydrophobicContact CE1-CD2 4.21Å; F636-F679 AromaticContact CE1-CE2 3.68Å; F636-F679 HydrophobicContact CE1-CE2 3.68Å; F636-F679 HydrophobicContact CE1-CZ 4.11Å; F636-F679 HydrophobicContact CZ-CE1 4.48Å; F636-F679 AromaticContact CZ-CE2 3.68Å; F636-F679 HydrophobicContact CZ-CE2 3.68Å; F636-F679 AromaticContact CZ-CZ 3.64Å; F636-F679 HydrophobicContact CZ-CZ 3.64Å; L642-F679 HydrophobicContact CD2-CB 3.99Å; L642-F679 HydrophobicContact CD2-CD1 3.84Å; L642-F679 HydrophobicContact CD2-CD2 4.34Å; L642-F679 HydrophobicContact CD2-CE1 4.42Å; L642-F679 HydrophobicContact CD2-CG 3.79Å; Q675-F679 PolarHBondContact O-N 3.26Å; T676-F679 PolarHBondContact O-N 2.91Å; F679-Q681 VanDerWaalsContact C-N 3.29Å; F679-Q681 PolarHBondContact O-N 2.94Å; F679-Q682 PolarHBondContact O-N 2.88Å; F679-N683 VanDerWaalsContact CE2-ND2 3.29Å; F679-N683 WeakPolarHBondContact CE2-ND2 3.37Å; F679-N683 PolarHBondContact O-N 3.25Å; F679-N683 VanDerWaalsContact O-N 3.13Å; F679-N683 PolarHBondContact O-ND2 2.97Å; F679-N683 VanDerWaalsContact O-ND2 3.08Å; F679-V701 HydrophobicContact CD1-CG1 4.49Å; F679-V701 HydrophobicContact CE1-CB 4.23Å; F679-V701 HydrophobicContact CE1-CG1 3.85Å; F679-V701 HydrophobicContact CE1-CG2 4.37Å; F679-V701 HydrophobicContact CZ-CB 4.37Å; F679-V701 HydrophobicContact CZ-CG1 4.34Å; F679-V701 HydrophobicContact CZ-CG2 4.03Å; F679-F704 HydrophobicContact CE1-CB 4.43Å |
| 680 | V | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 174.3 | 170.7 | 0 | 0 | 0 | 0 | 111 | L609 I613 T676 N677 A678 A684 P685 W686 A705 | L609-V680 HydrophobicContact CD1-CG2 3.96Å; I613-V680 HydrophobicContact CG2-CG2 4.03Å; T676-V680 WeakPolarHBondContact O-CG2 3.3Å; T676-V680 PolarHBondContact O-N 3.31Å; N677-V680 PolarHBondContact O-N 3.24Å; A678-V680 PolarHBondContact O-N 2.76Å; V680-A684 PolarHBondContact O-N 2.79Å; V680-P685 HydrophobicContact CG1-CG 3.99Å; V680-P685 WeakPolarHBondContact O-CD 3.11Å; V680-W686 HydrophobicContact CG1-CZ3 4.28Å; V680-A705 HydrophobicContact CG2-CB 3.64Å |
| 681 | Q | 92.5 | Very high | 90.8 | Very high | 107 Ų | 107 | 51.2 Ų | 51.2 | 50% | 0.5 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 177.9 | -175.3 | 61.3 | 29.7 | 0 | 0 | 112.5 | N677 A678 F679 A684 | N677-Q681 WeakPolarHBondContact O-CB 3.4Å; N677-Q681 PolarHBondContact O-N 3.31Å; A678-Q681 WeakPolarHBondContact O-CB 3.37Å; A678-Q681 PolarHBondContact O-N 3.45Å; A678-Q681 VanDerWaalsContact O-N 3.11Å; F679-Q681 VanDerWaalsContact C-N 3.29Å; F679-Q681 PolarHBondContact O-N 2.94Å; Q681-A684 PolarHBondContact O-N 3.4Å |
| 682 | Q | 91.1 | Very high | 90.7 | Very high | 150 Ų | 150 | 59.3 Ų | 59.3 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 179.7 | -72.2 | 168.2 | 0.2 | 0 | 0 | 111.8 | A678 F679 | A678-Q682 VanDerWaalsContact O-CG 3.32Å; A678-Q682 WeakPolarHBondContact O-CG 3.35Å; A678-Q682 PolarHBondContact O-N 2.81Å; F679-Q682 PolarHBondContact O-N 2.88Å |
| 683 | N | 91.3 | Very high | 90.6 | Very high | 17 Ų | 17 | 66.7 Ų | 66.7 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -83 | -14.3 | 179.7 | -75 | -78.8 | 0 | 0 | 0 | 114.1 | F679 L688 R697 V701 | F679-N683 VanDerWaalsContact CE2-ND2 3.29Å; F679-N683 WeakPolarHBondContact CE2-ND2 3.37Å; F679-N683 PolarHBondContact O-N 3.25Å; F679-N683 VanDerWaalsContact O-N 3.13Å; F679-N683 PolarHBondContact O-ND2 2.97Å; F679-N683 VanDerWaalsContact O-ND2 3.08Å; N683-L688 WeakPolarHBondContact O-CD1 3.28Å; N683-L688 WeakPolarHBondContact O-CG 3.38Å; N683-R697 PolarHBondContact OD1-NE 3.31Å; N683-R697 PolarHBondContact OD1-NH2 3.45Å; N683-V701 HydrophobicContact CB-CB 4.41Å; N683-V701 HydrophobicContact CB-CG1 3.91Å; N683-V701 HydrophobicContact CB-CG2 3.59Å |
| 684 | A | 93.6 | Very high | 90.6 | Very high | 13 Ų | 13 | 67.6 Ų | 67.6 | 11% | 0.107 | 33% | 0.333 | C | S | . | . | trans | 43.4 | 64.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V680 Q681 W686 K687 L688 | V680-A684 PolarHBondContact O-N 2.79Å; Q681-A684 PolarHBondContact O-N 3.4Å; A684-W686 HydrophobicContact CB-CH2 4.13Å; A684-W686 HydrophobicContact CB-CZ2 3.67Å; A684-W686 PolarHBondContact O-N 3.4Å; A684-K687 HydrophobicContact CB-CB 4.4Å; A684-K687 HydrophobicContact CB-CD 4.1Å; A684-K687 HydrophobicContact CB-CG 4.24Å; A684-K687 WeakPolarHBondContact O-CB 3.42Å; A684-K687 PolarHBondContact O-N 2.92Å; A684-L688 PolarHBondContact O-N 3.42Å | ||
| 685 | P | 93.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.8 | -27.1 | -173.3 | 21.2 | -34.2 | 0 | 0 | 0 | 114.8 | L618 V680 K687 L688 V689 L698 L702 | L618-P685 HydrophobicContact CD1-CB 4.12Å; L618-P685 HydrophobicContact CD1-CG 4.25Å; L618-P685 HydrophobicContact CD2-CB 4.33Å; L618-P685 WeakPolarHBondContact CD2-O 3.41Å; V680-P685 HydrophobicContact CG1-CG 3.99Å; V680-P685 WeakPolarHBondContact O-CD 3.11Å; P685-K687 PolarHBondContact O-N 3.41Å; P685-L688 PolarHBondContact O-N 3.15Å; P685-V689 PolarHBondContact O-N 2.81Å; P685-L698 HydrophobicContact CB-CD1 3.43Å; P685-L698 VanDerWaalsContact CB-CD1 3.43Å; P685-L702 HydrophobicContact CB-CD2 4.43Å |
| 686 | W | 94.1 | Very high | 91.1 | Very high | 91 Ų | 91 | 70 Ų | 70 | 35% | 0.345 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.2 | -15.3 | 173.5 | 57.3 | 86.4 | 0 | 0 | 0 | 114.6 | V680 A684 | V680-W686 HydrophobicContact CG1-CZ3 4.28Å; A684-W686 HydrophobicContact CB-CH2 4.13Å; A684-W686 HydrophobicContact CB-CZ2 3.67Å; A684-W686 PolarHBondContact O-N 3.4Å |
| 687 | K | 93.8 | Very high | 91.1 | Very high | 139 Ų | 139 | 74.4 Ų | 74.4 | 60% | 0.604 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -90.5 | -43.9 | 167.7 | -64 | -176.4 | -179.8 | 178.4 | 0 | 110.6 | A684 P685 V689 K690 | A684-K687 HydrophobicContact CB-CB 4.4Å; A684-K687 HydrophobicContact CB-CD 4.1Å; A684-K687 HydrophobicContact CB-CG 4.24Å; A684-K687 WeakPolarHBondContact O-CB 3.42Å; A684-K687 PolarHBondContact O-N 2.92Å; P685-K687 PolarHBondContact O-N 3.41Å; K687-V689 VanDerWaalsContact C-N 3.26Å; K687-V689 PolarHBondContact O-N 3.37Å; K687-K690 WeakPolarHBondContact O-CB 3.49Å; K687-K690 PolarHBondContact O-N 3.11Å |
| 688 | L | 92 | Very high | 91.3 | Very high | 24 Ų | 24 | 73.4 Ų | 73.4 | 13% | 0.126 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.3 | -37.8 | 179.5 | -62.8 | 179.1 | 0 | 0 | 0 | 112.4 | N683 A684 P685 K690 V691 S694 R697 L698 | N683-L688 WeakPolarHBondContact O-CD1 3.28Å; N683-L688 WeakPolarHBondContact O-CG 3.38Å; A684-L688 PolarHBondContact O-N 3.42Å; P685-L688 PolarHBondContact O-N 3.15Å; L688-K690 PolarHBondContact O-N 2.91Å; L688-K690 VanDerWaalsContact O-N 3.08Å; L688-V691 PolarHBondContact O-N 3.45Å; L688-S694 WeakPolarHBondContact O-CB 3.13Å; L688-R697 HydrophobicContact CD1-CG 3.99Å; L688-L698 HydrophobicContact CB-CB 4.14Å; L688-L698 HydrophobicContact CB-CD1 4.39Å |
| 689 | V | 91 | Very high | 91.5 | Very high | 36 Ų | 36 | 73.4 Ų | 73.4 | 22% | 0.218 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -17.6 | 178 | 75.1 | 0 | 0 | 0 | 0 | 114.3 | L618 P685 K687 L698 | L618-V689 HydrophobicContact CD2-CB 4.06Å; L618-V689 HydrophobicContact CD2-CG1 4.02Å; P685-V689 PolarHBondContact O-N 2.81Å; K687-V689 VanDerWaalsContact C-N 3.26Å; K687-V689 PolarHBondContact O-N 3.37Å; V689-L698 HydrophobicContact CB-CD2 3.89Å; V689-L698 HydrophobicContact CG2-CD2 3.97Å |
| 690 | K | 90.2 | Very high | 91.7 | Very high | 179 Ų | 179 | 72.8 Ų | 72.8 | 78% | 0.778 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.2 | 179.1 | -57.4 | -178.3 | -178.2 | -177.2 | 0 | 113.1 | K687 L688 | K687-K690 WeakPolarHBondContact O-CB 3.49Å; K687-K690 PolarHBondContact O-N 3.11Å; L688-K690 PolarHBondContact O-N 2.91Å; L688-K690 VanDerWaalsContact O-N 3.08Å |
| 691 | V | 90.1 | Very high | 91.7 | Very high | 78 Ų | 78 | 72.8 Ų | 72.8 | 47% | 0.473 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -113.7 | 119.3 | -177.2 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | L688 D693 S694 | L688-V691 PolarHBondContact O-N 3.45Å; V691-D693 PolarHBondContact O-N 3.47Å; V691-S694 WeakPolarHBondContact CB-OG 3.11Å; V691-S694 VanDerWaalsContact CG1-OG 3.32Å; V691-S694 WeakPolarHBondContact CG1-OG 3.5Å; V691-S694 PolarHBondContact O-N 3.48Å; V691-S694 VanDerWaalsContact O-N 3.15Å |
| 692 | E | 83.6 | Confident | 91.8 | Very high | 187 Ų | 187 | 67.7 Ų | 67.7 | 87% | 0.874 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -57.8 | -43.3 | -172.1 | -68.5 | -176.8 | 168.3 | 0 | 0 | 112.8 | S694 | E692-S694 VanDerWaalsContact C-N 3.28Å; E692-S694 PolarHBondContact O-N 2.88Å |
| 693 | D | 87.9 | Confident | 91.9 | Very high | 163 Ų | 163 | 60.7 Ų | 60.7 | 87% | 0.872 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -83.7 | 6.2 | -178 | -62.3 | -32 | 0 | 0 | 0 | 114.4 | V691 | V691-D693 PolarHBondContact O-N 3.47Š|
| 694 | S | 90.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 60.5 Ų | 60.5 | 16% | 0.161 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -98.6 | 6.9 | -178 | -68.4 | 0 | 0 | 0 | 0 | 114.2 | L688 V691 E692 E696 R697 L698 | L688-S694 WeakPolarHBondContact O-CB 3.13Å; V691-S694 WeakPolarHBondContact CB-OG 3.11Å; V691-S694 VanDerWaalsContact CG1-OG 3.32Å; V691-S694 WeakPolarHBondContact CG1-OG 3.5Å; V691-S694 PolarHBondContact O-N 3.48Å; V691-S694 VanDerWaalsContact O-N 3.15Å; E692-S694 VanDerWaalsContact C-N 3.28Å; E692-S694 PolarHBondContact O-N 2.88Å; S694-E696 PolarHBondContact O-N 2.66Å; S694-R697 PolarHBondContact O-N 2.68Å; S694-L698 WeakPolarHBondContact O-CB 3.35Å; S694-L698 PolarHBondContact O-N 2.85Å |
| 695 | Q | 91.5 | Very high | 91.9 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 35% | 0.35 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | -173.3 | -170.8 | 63.8 | 52.4 | 0 | 0 | 112.9 | R697 L698 N699 | Q695-R697 VanDerWaalsContact C-N 3.34Å; Q695-R697 PolarHBondContact O-N 2.9Å; Q695-L698 PolarHBondContact O-N 3.25Å; Q695-N699 PolarHBondContact NE2-OD1 2.97Å; Q695-N699 WeakPolarHBondContact O-CB 3.48Å; Q695-N699 PolarHBondContact O-N 3.34Å; Q695-N699 PolarHBondContact O-ND2 3.36Å; Q695-N699 PolarHBondContact O-OD1 2.78Å |
| 696 | E | 92.6 | Very high | 92 | Very high | 105 Ų | 105 | 59.9 Ų | 59.9 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 177.8 | -68.2 | -177.9 | 168.4 | 0 | 0 | 112 | H628 V631 S694 T700 | H628-E696 HydrophobicContact CB-CB 3.92Å; H628-E696 HydrophobicContact CB-CG 4.34Å; H628-E696 IonicContact CD2-OE1 3.52Å; H628-E696 IonicContact CD2-OE2 2.74Å; H628-E696 IonicContact CE1-OE2 3.51Å; H628-E696 IonicContact CG-OE2 3.1Å; H628-E696 IonicContact ND1-OE2 2.78Å; H628-E696 IonicContact NE2-OE1 3.67Å; H628-E696 IonicContact NE2-OE2 3.37Å; V631-E696 HydrophobicContact CG2-CB 4.32Å; S694-E696 PolarHBondContact O-N 2.66Å; E696-T700 WeakPolarHBondContact O-CB 3.41Å; E696-T700 PolarHBondContact O-N 3.15Å; E696-T700 PolarHBondContact O-OG1 2.78Å |
| 697 | R | 92.7 | Very high | 92 | Very high | 95 Ų | 95 | 55.6 Ų | 55.6 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.2 | -43 | 176 | -173.7 | 171.8 | -176.6 | 148.2 | 2.2 | 112.5 | V631 N683 L688 S694 Q695 N699 T700 V701 | V631-R697 HydrophobicContact CG1-CB 3.97Å; V631-R697 HydrophobicContact CG1-CG 3.87Å; N683-R697 PolarHBondContact OD1-NE 3.31Å; N683-R697 PolarHBondContact OD1-NH2 3.45Å; L688-R697 HydrophobicContact CD1-CG 3.99Å; S694-R697 PolarHBondContact O-N 2.68Å; Q695-R697 VanDerWaalsContact C-N 3.34Å; Q695-R697 PolarHBondContact O-N 2.9Å; R697-N699 PolarHBondContact O-N 2.93Å; R697-T700 PolarHBondContact O-N 3.47Å; R697-V701 HydrophobicContact CG-CG2 4.43Å; R697-V701 WeakPolarHBondContact O-CB 3.13Å; R697-V701 VanDerWaalsContact O-CG2 3.22Å; R697-V701 WeakPolarHBondContact O-CG2 3.12Å; R697-V701 PolarHBondContact O-N 2.83Å |
| 698 | L | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.8 | -51.3 | 173.3 | 173.8 | 61.7 | 0 | 0 | 0 | 110.9 | L618 P685 L688 V689 S694 Q695 T700 V701 L702 | L618-L698 HydrophobicContact CD2-CD1 4.46Å; P685-L698 HydrophobicContact CB-CD1 3.43Å; P685-L698 VanDerWaalsContact CB-CD1 3.43Å; L688-L698 HydrophobicContact CB-CB 4.14Å; L688-L698 HydrophobicContact CB-CD1 4.39Å; V689-L698 HydrophobicContact CB-CD2 3.89Å; V689-L698 HydrophobicContact CG2-CD2 3.97Å; S694-L698 WeakPolarHBondContact O-CB 3.35Å; S694-L698 PolarHBondContact O-N 2.85Å; Q695-L698 PolarHBondContact O-N 3.25Å; L698-T700 PolarHBondContact O-N 3.37Å; L698-V701 PolarHBondContact O-N 2.8Å; L698-L702 HydrophobicContact CD1-CD1 3.82Å; L698-L702 HydrophobicContact CD1-CG 4.1Å; L698-L702 HydrophobicContact CG-CD1 4.07Å; L698-L702 WeakPolarHBondContact O-CG 3.41Å; L698-L702 PolarHBondContact O-N 3Å |
| 699 | N | 93.6 | Very high | 92.2 | Very high | 46 Ų | 46 | 47.9 Ų | 47.9 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -42.9 | -178.6 | -68.6 | -11 | 0 | 0 | 0 | 111.5 | P625 D626 Q695 R697 V701 L702 Y703 | P625-N699 HydrophobicContact CB-CB 4Å; D626-N699 CarbonylContact O-C 3.37Å; D626-N699 WeakPolarHBondContact O-CB 3.32Å; Q695-N699 PolarHBondContact NE2-OD1 2.97Å; Q695-N699 WeakPolarHBondContact O-CB 3.48Å; Q695-N699 PolarHBondContact O-N 3.34Å; Q695-N699 PolarHBondContact O-ND2 3.36Å; Q695-N699 PolarHBondContact O-OD1 2.78Å; R697-N699 PolarHBondContact O-N 2.93Å; N699-V701 PolarHBondContact O-N 3.44Å; N699-L702 PolarHBondContact O-N 3.2Å; N699-Y703 VanDerWaalsContact O-CB 3.23Å; N699-Y703 WeakPolarHBondContact O-CB 2.79Å; N699-Y703 PolarHBondContact O-N 3.38Å |
| 700 | T | 92.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | H628 V631 V632 E696 R697 L698 Y703 F704 | H628-T700 PolarHBondContact N-OG1 3.37Å; V631-T700 HydrophobicContact CB-CG2 4.31Å; V631-T700 HydrophobicContact CG1-CG2 4.08Å; V632-T700 HydrophobicContact CG2-CG2 4Å; E696-T700 WeakPolarHBondContact O-CB 3.41Å; E696-T700 PolarHBondContact O-N 3.15Å; E696-T700 PolarHBondContact O-OG1 2.78Å; R697-T700 PolarHBondContact O-N 3.47Å; L698-T700 PolarHBondContact O-N 3.37Å; T700-Y703 PolarHBondContact O-N 3.16Å; T700-F704 HydrophobicContact CG2-CD2 3.95Å; T700-F704 HydrophobicContact CG2-CE2 3.91Å; T700-F704 VanDerWaalsContact O-CD2 3.29Å; T700-F704 WeakPolarHBondContact O-CD2 3.21Å; T700-F704 PolarHBondContact O-N 3.08Å; T700-F704 VanDerWaalsContact O-N 3.13Å |
| 701 | V | 92.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 178.4 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | F679 N683 R697 L698 N699 A705 | F679-V701 HydrophobicContact CD1-CG1 4.49Å; F679-V701 HydrophobicContact CE1-CB 4.23Å; F679-V701 HydrophobicContact CE1-CG1 3.85Å; F679-V701 HydrophobicContact CE1-CG2 4.37Å; F679-V701 HydrophobicContact CZ-CB 4.37Å; F679-V701 HydrophobicContact CZ-CG1 4.34Å; F679-V701 HydrophobicContact CZ-CG2 4.03Å; N683-V701 HydrophobicContact CB-CB 4.41Å; N683-V701 HydrophobicContact CB-CG1 3.91Å; N683-V701 HydrophobicContact CB-CG2 3.59Å; R697-V701 HydrophobicContact CG-CG2 4.43Å; R697-V701 WeakPolarHBondContact O-CB 3.13Å; R697-V701 VanDerWaalsContact O-CG2 3.22Å; R697-V701 WeakPolarHBondContact O-CG2 3.12Å; R697-V701 PolarHBondContact O-N 2.83Å; L698-V701 PolarHBondContact O-N 2.8Å; N699-V701 PolarHBondContact O-N 3.44Å; V701-A705 WeakPolarHBondContact O-CB 3.5Å; V701-A705 PolarHBondContact O-N 3.1Å; V701-A705 VanDerWaalsContact O-N 3.09Å |
| 702 | L | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 178.7 | -67.8 | 177.5 | 0 | 0 | 0 | 111.8 | I613 L618 L619 P625 P685 L698 N699 F704 A705 M706 | I613-L702 HydrophobicContact CB-CD2 4.1Å; I613-L702 HydrophobicContact CG2-CD2 4.39Å; L618-L702 HydrophobicContact CB-CD1 4.19Å; L618-L702 HydrophobicContact CD1-CD2 4.13Å; L619-L702 HydrophobicContact CD2-CD1 3.91Å; L619-L702 HydrophobicContact CG-CD1 4.49Å; P625-L702 HydrophobicContact CG-CB 3.76Å; P685-L702 HydrophobicContact CB-CD2 4.43Å; L698-L702 HydrophobicContact CD1-CD1 3.82Å; L698-L702 HydrophobicContact CD1-CG 4.1Å; L698-L702 HydrophobicContact CG-CD1 4.07Å; L698-L702 WeakPolarHBondContact O-CG 3.41Å; L698-L702 PolarHBondContact O-N 3Å; N699-L702 PolarHBondContact O-N 3.2Å; L702-F704 PolarHBondContact O-N 3.3Å; L702-A705 PolarHBondContact O-N 3.27Å; L702-M706 WeakPolarHBondContact O-CB 3.28Å; L702-M706 VanDerWaalsContact O-CG 3.25Å; L702-M706 WeakPolarHBondContact O-CG 3.19Å; L702-M706 PolarHBondContact O-N 2.75Å |
| 703 | Y | 93.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.2 | -52.8 | 177.6 | 170.7 | -88.1 | 0 | 0 | 0 | 111.3 | F624 P625 Y627 N699 T700 A705 M706 Q707 S750 V754 | F624-Y703 HydrophobicContact CD1-CD2 4.21Å; F624-Y703 AromaticContact CE1-CD2 3.67Å; F624-Y703 HydrophobicContact CE1-CD2 3.67Å; F624-Y703 HydrophobicContact CE1-CE2 4.01Å; P625-Y703 VanDerWaalsContact O-CD2 3.27Å; P625-Y703 WeakPolarHBondContact O-CD2 3.47Å; Y627-Y703 AromaticContact CD1-CD1 3.72Å; Y627-Y703 HydrophobicContact CD1-CD1 3.72Å; Y627-Y703 HydrophobicContact CD1-CD2 4.16Å; Y627-Y703 AromaticContact CD1-CE1 3.42Å; Y627-Y703 HydrophobicContact CD1-CE1 3.42Å; Y627-Y703 VanDerWaalsContact CD1-CE1 3.42Å; Y627-Y703 AromaticContact CD1-CE2 3.88Å; Y627-Y703 HydrophobicContact CD1-CE2 3.88Å; Y627-Y703 HydrophobicContact CD1-CG 4.1Å; Y627-Y703 AromaticContact CD1-CZ 3.5Å; Y627-Y703 HydrophobicContact CE1-CE1 4.01Å; Y627-Y703 HydrophobicContact CE1-CE2 4.45Å; Y627-Y703 AromaticContact CE1-CZ 3.86Å; Y627-Y703 HydrophobicContact CG-CD1 4.08Å; Y627-Y703 HydrophobicContact CG-CE1 4.15Å; N699-Y703 VanDerWaalsContact O-CB 3.23Å; N699-Y703 WeakPolarHBondContact O-CB 2.79Å; N699-Y703 PolarHBondContact O-N 3.38Å; T700-Y703 PolarHBondContact O-N 3.16Å; Y703-A705 PolarHBondContact O-N 2.88Å; Y703-M706 PolarHBondContact O-N 3.47Å; Y703-Q707 HydrophobicContact CD1-CG 4.37Å; Y703-Q707 HydrophobicContact CE1-CG 3.93Å; Y703-Q707 HydrophobicContact CE2-CG 4.24Å; Y703-Q707 WeakPolarHBondContact O-CB 3.43Å; Y703-Q707 VanDerWaalsContact O-CG 3.3Å; Y703-Q707 WeakPolarHBondContact O-CG 3.4Å; Y703-Q707 PolarHBondContact O-N 3.09Å; Y703-Q707 PolarHBondContact OH-NE2 3.26Å; Y703-S750 VanDerWaalsContact OH-C 3.27Å; Y703-S750 PolarHBondContact OH-O 3.48Å; Y703-V754 HydrophobicContact CE2-CG2 4.26Å |
| 704 | F | 92.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 17.4 Ų | 17.4 | 6% | 0.057 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.6 | -34.7 | -179 | -77 | -69.5 | 0 | 0 | 0 | 112.8 | Y627 V632 F636 I643 F679 T700 L702 Q707 A708 | Y627-F704 HydrophobicContact CG-CE2 4.44Å; V632-F704 HydrophobicContact CB-CE2 4.48Å; V632-F704 HydrophobicContact CG1-CE2 4.13Å; V632-F704 HydrophobicContact CG1-CZ 4.03Å; V632-F704 HydrophobicContact CG2-CE2 3.67Å; V632-F704 HydrophobicContact CG2-CZ 4.05Å; F636-F704 AromaticContact CE2-CD2 3.62Å; F636-F704 HydrophobicContact CE2-CD2 3.62Å; F636-F704 AromaticContact CE2-CE2 3.73Å; F636-F704 HydrophobicContact CE2-CE2 3.73Å; F636-F704 HydrophobicContact CE2-CG 4.15Å; F636-F704 HydrophobicContact CE2-CZ 4.33Å; F636-F704 HydrophobicContact CZ-CB 4.32Å; F636-F704 AromaticContact CZ-CD2 3.9Å; F636-F704 HydrophobicContact CZ-CD2 3.9Å; F636-F704 HydrophobicContact CZ-CE2 4.43Å; F636-F704 HydrophobicContact CZ-CG 4.04Å; I643-F704 HydrophobicContact CD1-CD1 3.96Å; I643-F704 HydrophobicContact CD1-CE1 3.36Å; I643-F704 HydrophobicContact CD1-CE2 4.18Å; I643-F704 HydrophobicContact CD1-CZ 3.5Å; I643-F704 VanDerWaalsContact CD1-CZ 3.5Å; I643-F704 HydrophobicContact CG1-CD1 3.8Å; I643-F704 HydrophobicContact CG1-CE1 3.63Å; I643-F704 HydrophobicContact CG1-CZ 4.26Å; F679-F704 HydrophobicContact CE1-CB 4.43Å; T700-F704 HydrophobicContact CG2-CD2 3.95Å; T700-F704 HydrophobicContact CG2-CE2 3.91Å; T700-F704 VanDerWaalsContact O-CD2 3.29Å; T700-F704 WeakPolarHBondContact O-CD2 3.21Å; T700-F704 PolarHBondContact O-N 3.08Å; T700-F704 VanDerWaalsContact O-N 3.13Å; L702-F704 PolarHBondContact O-N 3.3Å; F704-Q707 PolarHBondContact O-N 2.88Å; F704-A708 WeakPolarHBondContact O-CB 3.11Å; F704-A708 PolarHBondContact O-N 3.46Å |
| 705 | A | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.7 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I613 T676 V680 V701 L702 Y703 A708 L709 | I613-A705 HydrophobicContact CD1-CB 4.34Å; I613-A705 HydrophobicContact CG2-CB 3.82Å; T676-A705 HydrophobicContact CG2-CB 3.91Å; V680-A705 HydrophobicContact CG2-CB 3.64Å; V701-A705 WeakPolarHBondContact O-CB 3.5Å; V701-A705 PolarHBondContact O-N 3.1Å; V701-A705 VanDerWaalsContact O-N 3.09Å; L702-A705 PolarHBondContact O-N 3.27Å; Y703-A705 PolarHBondContact O-N 2.88Å; A705-A708 PolarHBondContact O-N 3.47Å; A705-L709 WeakPolarHBondContact O-CB 3.42Å; A705-L709 PolarHBondContact O-N 2.84Å |
| 706 | M | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 174.6 | -71.8 | -179.5 | -174.9 | 0 | 0 | 111.8 | I613 T614 L619 F624 P625 L702 Y703 L709 R710 L731 L758 | I613-M706 HydrophobicContact CD1-CB 4.42Å; I613-M706 HydrophobicContact CD1-CG 3.76Å; I613-M706 HydrophobicContact CG1-CG 4.15Å; I613-M706 WeakPolarHBondContact O-CE 3.34Å; T614-M706 HydrophobicContact CG2-CE 4.47Å; L619-M706 HydrophobicContact CD1-CE 3.74Å; L619-M706 HydrophobicContact CD2-CE 3.96Å; L619-M706 HydrophobicContact CG-CE 4.41Å; F624-M706 HydrophobicContact CD2-SD 4.06Å; F624-M706 HydrophobicContact CE1-CB 4.34Å; F624-M706 HydrophobicContact CE2-CB 3.73Å; F624-M706 HydrophobicContact CE2-CG 4.48Å; F624-M706 HydrophobicContact CE2-SD 4.04Å; F624-M706 HydrophobicContact CG-SD 4.36Å; F624-M706 HydrophobicContact CZ-CB 3.54Å; F624-M706 HydrophobicContact CZ-SD 4.32Å; P625-M706 VanDerWaalsContact CD-SD 3.58Å; P625-M706 HydrophobicContact CG-SD 4.24Å; L702-M706 WeakPolarHBondContact O-CB 3.28Å; L702-M706 VanDerWaalsContact O-CG 3.25Å; L702-M706 WeakPolarHBondContact O-CG 3.19Å; L702-M706 PolarHBondContact O-N 2.75Å; Y703-M706 PolarHBondContact O-N 3.47Å; M706-L709 PolarHBondContact O-N 3.29Å; M706-R710 VanDerWaalsContact O-CB 3.26Å; M706-R710 WeakPolarHBondContact O-CB 3.48Å; M706-R710 PolarHBondContact O-N 3.44Å; M706-L731 HydrophobicContact CB-CD2 4.31Å; M706-L731 HydrophobicContact CG-CD2 4.01Å; M706-L731 HydrophobicContact SD-CD2 4.47Å; M706-L758 HydrophobicContact CE-CD1 3.96Å; M706-L758 HydrophobicContact SD-CD2 4.46Å |
| 707 | Q | 93.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 174.3 | -74.9 | -71.6 | 14.6 | 0 | 0 | 111.9 | F624 Y703 F704 L709 R710 V711 L745 | F624-Q707 HydrophobicContact CZ-CG 4.29Å; Y703-Q707 HydrophobicContact CD1-CG 4.37Å; Y703-Q707 HydrophobicContact CE1-CG 3.93Å; Y703-Q707 HydrophobicContact CE2-CG 4.24Å; Y703-Q707 WeakPolarHBondContact O-CB 3.43Å; Y703-Q707 VanDerWaalsContact O-CG 3.3Å; Y703-Q707 WeakPolarHBondContact O-CG 3.4Å; Y703-Q707 PolarHBondContact O-N 3.09Å; Y703-Q707 PolarHBondContact OH-NE2 3.26Å; F704-Q707 PolarHBondContact O-N 2.88Å; Q707-L709 PolarHBondContact O-N 3.19Å; Q707-R710 PolarHBondContact O-N 3.03Å; Q707-V711 WeakPolarHBondContact O-CG2 3.45Å; Q707-V711 PolarHBondContact O-N 2.84Å; Q707-L745 HydrophobicContact CB-CD2 4.1Å; Q707-L745 HydrophobicContact CG-CD2 4.17Å |
| 708 | A | 94.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.008 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L646 T676 F704 A705 R710 V711 A712 | L646-A708 HydrophobicContact CD1-CB 4.27Å; L646-A708 HydrophobicContact CD2-CB 3.95Å; T676-A708 HydrophobicContact CG2-CB 3.89Å; T676-A708 WeakPolarHBondContact OG1-CB 3.47Å; F704-A708 WeakPolarHBondContact O-CB 3.11Å; F704-A708 PolarHBondContact O-N 3.46Å; A705-A708 PolarHBondContact O-N 3.47Å; A708-R710 PolarHBondContact O-N 3.27Å; A708-V711 PolarHBondContact O-N 2.77Å; A708-A712 VanDerWaalsContact O-CB 3.27Å; A708-A712 WeakPolarHBondContact O-CB 3.39Å; A708-A712 PolarHBondContact O-N 2.98Å |
| 709 | L | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.005 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -66.5 | -37.1 | 178.4 | -174.9 | 58.4 | 0 | 0 | 0 | 112.5 | I606 L609 L610 I613 A705 M706 Q707 S713 I727 L731 | I606-L709 HydrophobicContact CG2-CD1 4.08Å; L609-L709 HydrophobicContact CD2-CB 4.43Å; L609-L709 HydrophobicContact CD2-CD1 4.38Å; L610-L709 HydrophobicContact CB-CD2 3.82Å; L610-L709 HydrophobicContact CD1-CD2 3.63Å; L610-L709 HydrophobicContact CG-CD2 4.33Å; I613-L709 HydrophobicContact CD1-CB 4.34Å; I613-L709 HydrophobicContact CD1-CD2 3.83Å; A705-L709 WeakPolarHBondContact O-CB 3.42Å; A705-L709 PolarHBondContact O-N 2.84Å; M706-L709 PolarHBondContact O-N 3.29Å; Q707-L709 PolarHBondContact O-N 3.19Å; L709-S713 VanDerWaalsContact O-CB 3.27Å; L709-S713 WeakPolarHBondContact O-CB 3.4Å; L709-S713 PolarHBondContact O-N 3.39Å; L709-S713 PolarHBondContact O-OG 3.39Å; L709-I727 HydrophobicContact CD1-CG2 4.2Å; L709-I727 HydrophobicContact CD2-CG2 4.01Å; L709-I727 HydrophobicContact CG-CG2 3.85Å; L709-L731 HydrophobicContact CB-CD1 4.45Å; L709-L731 HydrophobicContact CD2-CD1 4.49Å; L709-L731 HydrophobicContact CG-CD1 4.33Å |
| 710 | R | 96.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 2.8 Ų | 2.8 | 0% | 0.004 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -59.4 | -53.2 | 174.1 | -179 | -175.1 | 71.9 | 79.5 | 4.2 | 111.1 | M706 Q707 A708 S713 I714 L728 L731 I733 H742 | M706-R710 VanDerWaalsContact O-CB 3.26Å; M706-R710 WeakPolarHBondContact O-CB 3.48Å; M706-R710 PolarHBondContact O-N 3.44Å; Q707-R710 PolarHBondContact O-N 3.03Å; A708-R710 PolarHBondContact O-N 3.27Å; R710-S713 PolarHBondContact O-N 3.5Å; R710-I714 HydrophobicContact CG-CD1 4.18Å; R710-I714 WeakPolarHBondContact O-CG1 3.02Å; R710-I714 PolarHBondContact O-N 2.82Å; R710-L728 HydrophobicContact CG-CD2 3.96Å; R710-L731 HydrophobicContact CB-CD1 4.13Å; R710-I733 HydrophobicContact CG-CD1 4.18Å; R710-I733 HydrophobicContact CG-CG1 4.07Å; R710-H742 PolarHBondContact NH1-O 3.18Å; R710-H742 PolarHBondContact NH2-O 3.18Å |
| 711 | V | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 179.7 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | L646 L649 P650 Q707 A708 S713 I714 L715 C743 | L646-V711 HydrophobicContact CD1-CB 3.86Å; L646-V711 HydrophobicContact CD1-CG1 3.96Å; L646-V711 HydrophobicContact CD1-CG2 4.17Å; L649-V711 HydrophobicContact CD2-CG1 4.48Å; P650-V711 HydrophobicContact CG-CG1 4.09Å; Q707-V711 WeakPolarHBondContact O-CG2 3.45Å; Q707-V711 PolarHBondContact O-N 2.84Å; A708-V711 PolarHBondContact O-N 2.77Å; V711-S713 VanDerWaalsContact C-N 3.28Å; V711-S713 PolarHBondContact O-N 2.97Å; V711-I714 PolarHBondContact O-N 2.87Å; V711-L715 HydrophobicContact CG1-CD1 3.83Å; V711-L715 HydrophobicContact CG1-CG 4.37Å; V711-L715 WeakPolarHBondContact O-CB 3.46Å; V711-L715 VanDerWaalsContact O-CG 3.29Å; V711-L715 WeakPolarHBondContact O-CG 3.5Å; V711-L715 PolarHBondContact O-N 3.35Å; V711-C743 HydrophobicContact CG1-CB 4.12Å; V711-C743 WeakPolarHBondContact CG2-O 3.17Å |
| 712 | A | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.008 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -55.5 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | V669 V673 A708 L715 L716 | V669-A712 HydrophobicContact CG1-CB 3.56Å; V673-A712 HydrophobicContact CG2-CB 3.99Å; A708-A712 VanDerWaalsContact O-CB 3.27Å; A708-A712 WeakPolarHBondContact O-CB 3.39Å; A708-A712 PolarHBondContact O-N 2.98Å; A712-L715 PolarHBondContact O-N 3.5Å; A712-L716 WeakPolarHBondContact O-CB 3.5Å; A712-L716 WeakPolarHBondContact O-CG 3.18Å; A712-L716 PolarHBondContact O-N 3.03Å |
| 713 | S | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.007 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -69.5 | -41.2 | -178.9 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | L709 R710 V711 L715 L716 T717 S724 I727 | L709-S713 VanDerWaalsContact O-CB 3.27Å; L709-S713 WeakPolarHBondContact O-CB 3.4Å; L709-S713 PolarHBondContact O-N 3.39Å; L709-S713 PolarHBondContact O-OG 3.39Å; R710-S713 PolarHBondContact O-N 3.5Å; V711-S713 VanDerWaalsContact C-N 3.28Å; V711-S713 PolarHBondContact O-N 2.97Å; S713-L715 VanDerWaalsContact C-N 3.34Å; S713-L716 PolarHBondContact O-N 3.43Å; S713-T717 PolarHBondContact O-N 3.37Å; S713-T717 PolarHBondContact O-OG1 3.13Å; S713-S724 WeakPolarHBondContact O-CB 3.49Å; S713-S724 PolarHBondContact O-OG 3.13Å; S713-I727 WeakPolarHBondContact OG-CG2 3.42Å |
| 714 | I | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.8 | -49 | 173 | -66.9 | 169.2 | 0 | 0 | 0 | 109.7 | L290 R710 V711 L716 T717 L728 R738 H742 C743 | L290-I714 HydrophobicContact CD1-CG2 4.1Å; L290-I714 HydrophobicContact CD2-CG2 4.28Å; R710-I714 HydrophobicContact CG-CD1 4.18Å; R710-I714 WeakPolarHBondContact O-CG1 3.02Å; R710-I714 PolarHBondContact O-N 2.82Å; V711-I714 PolarHBondContact O-N 2.87Å; I714-L716 VanDerWaalsContact C-N 3.28Å; I714-L716 PolarHBondContact O-N 2.91Å; I714-T717 WeakPolarHBondContact O-CB 3.3Å; I714-T717 PolarHBondContact O-N 3.48Å; I714-T717 VanDerWaalsContact O-N 3.12Å; I714-T717 PolarHBondContact O-OG1 3.25Å; I714-L728 HydrophobicContact CG1-CD1 4.02Å; I714-L728 HydrophobicContact CG1-CD2 3.95Å; I714-R738 WeakPolarHBondContact CG2-O 3.33Å; I714-H742 HydrophobicContact CD1-CB 4.35Å; I714-C743 WeakPolarHBondContact CG2-SG 3.4Å |
| 715 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.8 | -27.1 | -179.6 | -66.9 | 175.8 | 0 | 0 | 0 | 113.4 | L649 P650 V653 Y657 V669 V711 A712 S713 P718 F740 | L649-L715 HydrophobicContact CD2-CD1 3.87Å; L649-L715 HydrophobicContact CG-CD1 3.75Å; P650-L715 HydrophobicContact CB-CD2 4.46Å; P650-L715 HydrophobicContact CG-CD1 4.4Å; V653-L715 HydrophobicContact CB-CD1 4.28Å; V653-L715 HydrophobicContact CB-CD2 4.25Å; V653-L715 HydrophobicContact CG1-CB 4.24Å; V653-L715 HydrophobicContact CG1-CD2 3.94Å; V653-L715 HydrophobicContact CG1-CG 4.45Å; V653-L715 HydrophobicContact CG2-CD1 4.1Å; Y657-L715 WeakPolarHBondContact CE2-O 3.39Å; Y657-L715 PolarHBondContact OH-O 3.36Å; Y657-L715 VanDerWaalsContact OH-O 3.13Å; V669-L715 HydrophobicContact CG2-CB 4.08Å; V669-L715 HydrophobicContact CG2-CD1 4.43Å; V711-L715 HydrophobicContact CG1-CD1 3.83Å; V711-L715 HydrophobicContact CG1-CG 4.37Å; V711-L715 WeakPolarHBondContact O-CB 3.46Å; V711-L715 VanDerWaalsContact O-CG 3.29Å; V711-L715 WeakPolarHBondContact O-CG 3.5Å; V711-L715 PolarHBondContact O-N 3.35Å; A712-L715 PolarHBondContact O-N 3.5Å; S713-L715 VanDerWaalsContact C-N 3.34Å; L715-P718 VanDerWaalsContact O-CD 3.32Å; L715-P718 WeakPolarHBondContact O-CD 3.35Å; L715-F740 HydrophobicContact CD2-CD2 4.02Å; L715-F740 HydrophobicContact CD2-CE2 3.95Å |
| 716 | L | 98.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 10.5 Ų | 10.5 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -83.1 | -7.9 | 174.7 | -77 | 169.8 | 0 | 0 | 0 | 114.4 | Y575 I606 I666 V669 A712 S713 I714 P718 V719 V720 S724 | Y575-L716 HydrophobicContact CE2-CD2 4.5Å; I606-L716 HydrophobicContact CD1-CD1 3.6Å; I666-L716 HydrophobicContact CG1-CD2 4.35Å; I666-L716 HydrophobicContact CG2-CD2 4.3Å; V669-L716 HydrophobicContact CB-CD2 4.49Å; V669-L716 HydrophobicContact CB-CG 4.42Å; V669-L716 HydrophobicContact CG1-CD1 3.75Å; V669-L716 HydrophobicContact CG1-CD2 4.35Å; V669-L716 HydrophobicContact CG1-CG 3.8Å; A712-L716 WeakPolarHBondContact O-CB 3.5Å; A712-L716 WeakPolarHBondContact O-CG 3.18Å; A712-L716 PolarHBondContact O-N 3.03Å; S713-L716 PolarHBondContact O-N 3.43Å; I714-L716 VanDerWaalsContact C-N 3.28Å; I714-L716 PolarHBondContact O-N 2.91Å; L716-P718 VanDerWaalsContact C-CD 3.42Å; L716-P718 VanDerWaalsContact C-N 3.3Å; L716-V719 HydrophobicContact CD2-CB 4.49Å; L716-V719 WeakPolarHBondContact O-CA 3.45Å; L716-V719 WeakPolarHBondContact O-CB 3.49Å; L716-V719 PolarHBondContact O-N 2.9Å; L716-V720 HydrophobicContact CB-CG2 3.95Å; L716-V720 PolarHBondContact O-N 3.46Å; L716-S724 VanDerWaalsContact C-OG 3.28Å; L716-S724 WeakPolarHBondContact CB-OG 3.22Å |
| 717 | T | 98 | Very high | 96.7 | Very high | 34 Ų | 34 | 10.6 Ų | 10.6 | 21% | 0.209 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -39.7 | -179.6 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | S713 I714 V719 P721 S724 | S713-T717 PolarHBondContact O-N 3.37Å; S713-T717 PolarHBondContact O-OG1 3.13Å; I714-T717 WeakPolarHBondContact O-CB 3.3Å; I714-T717 PolarHBondContact O-N 3.48Å; I714-T717 VanDerWaalsContact O-N 3.12Å; I714-T717 PolarHBondContact O-OG1 3.25Å; T717-V719 PolarHBondContact O-N 3.09Å; T717-P721 VanDerWaalsContact O-CA 3.3Å; T717-P721 WeakPolarHBondContact O-CA 3.36Å; T717-P721 WeakPolarHBondContact O-CB 3.46Å; T717-S724 PolarHBondContact N-OG 2.92Å |
| 718 | P | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.2 | 175 | -24.3 | 37.1 | 0 | 0 | 0 | 114.5 | A283 R286 W287 L290 R574 Y657 L715 L716 | A283-P718 WeakPolarHBondContact CA-O 3.37Å; A283-P718 HydrophobicContact CB-CB 4.45Å; A283-P718 VanDerWaalsContact CB-O 3.32Å; A283-P718 WeakPolarHBondContact CB-O 3.17Å; A283-P718 WeakPolarHBondContact O-CB 3.48Å; R286-P718 HydrophobicContact CB-CB 3.97Å; R286-P718 HydrophobicContact CB-CG 4.46Å; W287-P718 HydrophobicContact CB-CB 4.36Å; W287-P718 HydrophobicContact CB-CG 4.16Å; L290-P718 HydrophobicContact CD2-CG 4.25Å; R574-P718 PolarHBondContact NH2-O 3.09Å; Y657-P718 HydrophobicContact CE2-CB 4.46Å; Y657-P718 HydrophobicContact CE2-CG 4.03Å; L715-P718 VanDerWaalsContact O-CD 3.32Å; L715-P718 WeakPolarHBondContact O-CD 3.35Å; L716-P718 VanDerWaalsContact C-CD 3.42Å; L716-P718 VanDerWaalsContact C-N 3.3Å |
| 719 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -51.7 | -173.6 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | R574 Y575 L578 Y657 I666 L716 T717 | R574-V719 PolarHBondContact NE-O 2.87Å; R574-V719 PolarHBondContact NH2-O 3.46Å; Y575-V719 HydrophobicContact CD2-CG1 4.05Å; L578-V719 HydrophobicContact CB-CG1 4.13Å; L578-V719 HydrophobicContact CD1-CB 4.27Å; L578-V719 HydrophobicContact CD1-CG1 3.83Å; L578-V719 HydrophobicContact CD1-CG2 4.39Å; Y657-V719 VanDerWaalsContact OH-CG2 3.31Å; Y657-V719 WeakPolarHBondContact OH-CG2 3.36Å; I666-V719 HydrophobicContact CD1-CB 4.41Å; I666-V719 HydrophobicContact CD1-CG1 3.65Å; I666-V719 HydrophobicContact CD1-CG2 3.86Å; I666-V719 HydrophobicContact CG1-CG1 4.19Å; I666-V719 HydrophobicContact CG1-CG2 3.83Å; L716-V719 HydrophobicContact CD2-CB 4.49Å; L716-V719 WeakPolarHBondContact O-CA 3.45Å; L716-V719 WeakPolarHBondContact O-CB 3.49Å; L716-V719 PolarHBondContact O-N 2.9Å; T717-V719 PolarHBondContact O-N 3.09Å |
| 720 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -130.2 | 67.7 | -175 | -73.7 | 0 | 0 | 0 | 0 | 111.1 | Y575 L716 A722 L723 S724 | Y575-V720 HydrophobicContact CD2-CG1 4.02Å; Y575-V720 HydrophobicContact CG-CG1 4.37Å; L716-V720 HydrophobicContact CB-CG2 3.95Å; L716-V720 PolarHBondContact O-N 3.46Å; V720-A722 PolarHBondContact O-N 3.02Å; V720-L723 HydrophobicContact CB-CB 4.05Å; V720-L723 HydrophobicContact CB-CD2 4.44Å; V720-L723 HydrophobicContact CG2-CB 4.28Å; V720-L723 HydrophobicContact CG2-CD2 4.24Å; V720-L723 PolarHBondContact O-N 3.26Å; V720-S724 WeakPolarHBondContact O-CB 3.32Å; V720-S724 PolarHBondContact O-N 2.95Å; V720-S724 PolarHBondContact O-OG 2.88Å |
| 721 | P | 97.2 | Very high | 96.5 | Very high | 22 Ų | 22 | 15.7 Ų | 15.7 | 14% | 0.143 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58 | -42.9 | -168.1 | 21.2 | -33.6 | 0 | 0 | 0 | 113.9 | T717 G725 | T717-P721 VanDerWaalsContact O-CA 3.3Å; T717-P721 WeakPolarHBondContact O-CA 3.36Å; T717-P721 WeakPolarHBondContact O-CB 3.46Å; P721-G725 PolarHBondContact O-N 3.44Å |
| 722 | A | 95.4 | Very high | 96.4 | Very high | 47 Ų | 47 | 16.5 Ų | 16.5 | 39% | 0.388 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -70.5 | -41.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E571 V720 G725 R726 | E571-A722 VanDerWaalsContact OE1-C 3.26Å; E571-A722 WeakPolarHBondContact OE1-CB 3.45Å; V720-A722 PolarHBondContact O-N 3.02Å; A722-G725 PolarHBondContact O-N 3.32Å; A722-R726 WeakPolarHBondContact O-CG 3.25Å; A722-R726 PolarHBondContact O-N 3.07Å; A722-R726 PolarHBondContact O-NH1 2.99Å |
| 723 | L | 95.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65 | -47.2 | 176.8 | 176.6 | 61.8 | 0 | 0 | 0 | 110.7 | E571 L602 V720 G725 R726 I727 C766 F767 | E571-L723 WeakPolarHBondContact OE1-CA 3.27Å; E571-L723 WeakPolarHBondContact OE1-CB 3.31Å; E571-L723 PolarHBondContact OE1-N 3.01Å; L602-L723 HydrophobicContact CB-CD2 4.42Å; L602-L723 HydrophobicContact CD1-CD2 4.04Å; L602-L723 HydrophobicContact CD2-CD2 3.91Å; L602-L723 HydrophobicContact CG-CD2 4.37Å; V720-L723 HydrophobicContact CB-CB 4.05Å; V720-L723 HydrophobicContact CB-CD2 4.44Å; V720-L723 HydrophobicContact CG2-CB 4.28Å; V720-L723 HydrophobicContact CG2-CD2 4.24Å; V720-L723 PolarHBondContact O-N 3.26Å; L723-G725 VanDerWaalsContact C-N 3.28Å; L723-G725 PolarHBondContact O-N 3.22Å; L723-R726 PolarHBondContact O-N 2.93Å; L723-I727 HydrophobicContact CD1-CD1 4.11Å; L723-I727 HydrophobicContact CD1-CG1 4.39Å; L723-I727 HydrophobicContact CG-CD1 3.94Å; L723-I727 WeakPolarHBondContact O-CD1 3.29Å; L723-I727 VanDerWaalsContact O-CG1 3.28Å; L723-I727 WeakPolarHBondContact O-CG1 3.42Å; L723-I727 PolarHBondContact O-N 3.44Å; L723-C766 HydrophobicContact CD1-CB 4.1Å; L723-C766 WeakPolarHBondContact CD1-O 3.32Å; L723-F767 HydrophobicContact CD1-CB 4.04Å; L723-F767 HydrophobicContact CD2-CD2 4.22Å |
| 724 | S | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.7 | -44.9 | 173.4 | -76.2 | 0 | 0 | 0 | 0 | 111.4 | S713 L716 T717 V720 I727 L728 | S713-S724 WeakPolarHBondContact O-CB 3.49Å; S713-S724 PolarHBondContact O-OG 3.13Å; L716-S724 VanDerWaalsContact C-OG 3.28Å; L716-S724 WeakPolarHBondContact CB-OG 3.22Å; T717-S724 PolarHBondContact N-OG 2.92Å; V720-S724 WeakPolarHBondContact O-CB 3.32Å; V720-S724 PolarHBondContact O-N 2.95Å; V720-S724 PolarHBondContact O-OG 2.88Å; S724-I727 PolarHBondContact O-N 2.65Å; S724-L728 WeakPolarHBondContact O-CB 3.17Å; S724-L728 VanDerWaalsContact O-CG 3.25Å; S724-L728 WeakPolarHBondContact O-CG 3.5Å; S724-L728 PolarHBondContact O-N 3.3Å |
| 725 | G | 95.6 | Very high | 95.6 | Very high | 17 Ų | 17 | 28.4 Ų | 28.4 | 18% | 0.175 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.3 | -52.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P721 A722 L723 I727 L728 D729 | P721-G725 PolarHBondContact O-N 3.44Å; A722-G725 PolarHBondContact O-N 3.32Å; L723-G725 VanDerWaalsContact C-N 3.28Å; L723-G725 PolarHBondContact O-N 3.22Å; G725-I727 VanDerWaalsContact C-N 3.3Å; G725-I727 PolarHBondContact O-N 2.77Å; G725-L728 PolarHBondContact O-N 3.08Å; G725-L728 VanDerWaalsContact O-N 3.13Å; G725-D729 WeakPolarHBondContact O-CB 3.48Å; G725-D729 PolarHBondContact O-N 3.26Å |
| 726 | R | 95.3 | Very high | 95.2 | Very high | 91 Ų | 91 | 33.9 Ų | 33.9 | 34% | 0.343 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.7 | -39.3 | 178.7 | -69.7 | -167.8 | -59 | -81 | 7.5 | 112.9 | E571 A722 L723 R730 C766 | E571-R726 VanDerWaalsContact CD-NH2 3.31Å; E571-R726 IonicContact OE1-CZ 2.63Å; E571-R726 IonicContact OE1-NH1 2.84Å; E571-R726 PolarHBondContact OE1-NH1 3.31Å; E571-R726 IonicContact OE1-NH2 3.67Å; E571-R726 PolarHBondContact OE1-NH2 3.08Å; E571-R726 VanDerWaalsContact OE1-NH2 3.1Å; E571-R726 IonicContact OE2-CZ 3.6Å; E571-R726 IonicContact OE2-NH1 2.77Å; E571-R726 IonicContact OE2-NH2 2.63Å; E571-R726 PolarHBondContact OE2-NH2 3.13Å; A722-R726 WeakPolarHBondContact O-CG 3.25Å; A722-R726 PolarHBondContact O-N 3.07Å; A722-R726 PolarHBondContact O-NH1 2.99Å; L723-R726 PolarHBondContact O-N 2.93Å; R726-R730 WeakPolarHBondContact O-CB 3.34Å; R726-R730 PolarHBondContact O-N 2.96Å; R726-C766 PolarHBondContact NE-O 2.81Å; R726-C766 PolarHBondContact NH2-O 3.26Å |
| 727 | I | 95.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 177.5 | -62 | 159.4 | 0 | 0 | 0 | 110.4 | I606 L610 L709 S713 L723 S724 G725 R730 L731 C766 | I606-I727 HydrophobicContact CG2-CD1 3.41Å; I606-I727 VanDerWaalsContact CG2-CD1 3.41Å; I606-I727 HydrophobicContact CG2-CG1 4.4Å; L610-I727 HydrophobicContact CD1-CG2 4.18Å; L610-I727 HydrophobicContact CD2-CG1 4.15Å; L610-I727 HydrophobicContact CD2-CG2 4.37Å; L709-I727 HydrophobicContact CD1-CG2 4.2Å; L709-I727 HydrophobicContact CD2-CG2 4.01Å; L709-I727 HydrophobicContact CG-CG2 3.85Å; S713-I727 WeakPolarHBondContact OG-CG2 3.42Å; L723-I727 HydrophobicContact CD1-CD1 4.11Å; L723-I727 HydrophobicContact CD1-CG1 4.39Å; L723-I727 HydrophobicContact CG-CD1 3.94Å; L723-I727 WeakPolarHBondContact O-CD1 3.29Å; L723-I727 VanDerWaalsContact O-CG1 3.28Å; L723-I727 WeakPolarHBondContact O-CG1 3.42Å; L723-I727 PolarHBondContact O-N 3.44Å; S724-I727 PolarHBondContact O-N 2.65Å; G725-I727 VanDerWaalsContact C-N 3.3Å; G725-I727 PolarHBondContact O-N 2.77Å; I727-R730 WeakPolarHBondContact O-CB 3.38Å; I727-R730 PolarHBondContact O-N 3.3Å; I727-L731 HydrophobicContact CG2-CD1 4.3Å; I727-L731 WeakPolarHBondContact O-CG 3.37Å; I727-L731 PolarHBondContact O-N 2.99Å; I727-L731 VanDerWaalsContact O-N 3.09Å; I727-C766 HydrophobicContact CG1-CB 4.45Å |
| 728 | L | 95.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.9 | -36.5 | 179 | -67.8 | 168.3 | 0 | 0 | 0 | 112.1 | R710 I714 S724 G725 L731 G732 I733 R738 | R710-L728 HydrophobicContact CG-CD2 3.96Å; I714-L728 HydrophobicContact CG1-CD1 4.02Å; I714-L728 HydrophobicContact CG1-CD2 3.95Å; S724-L728 WeakPolarHBondContact O-CB 3.17Å; S724-L728 VanDerWaalsContact O-CG 3.25Å; S724-L728 WeakPolarHBondContact O-CG 3.5Å; S724-L728 PolarHBondContact O-N 3.3Å; G725-L728 PolarHBondContact O-N 3.08Å; G725-L728 VanDerWaalsContact O-N 3.13Å; L728-L731 CarbonylContact O-C 3.22Å; L728-L731 PolarHBondContact O-N 2.81Å; L728-G732 PolarHBondContact O-N 2.78Å; L728-I733 HydrophobicContact CB-CB 4.3Å; L728-I733 HydrophobicContact CD2-CB 4.31Å; L728-I733 HydrophobicContact CD2-CG1 4.11Å; L728-I733 HydrophobicContact CD2-CG2 4.46Å; L728-I733 PolarHBondContact O-N 2.81Å; L728-R738 HydrophobicContact CD1-CB 4.47Å; L728-R738 HydrophobicContact CD1-CG 4.03Å |
| 729 | D | 94.7 | Very high | 94.3 | Very high | 75 Ų | 75 | 38.3 Ų | 38.3 | 40% | 0.401 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.1 | -47 | 172.1 | -65.3 | -26.4 | 0 | 0 | 0 | 110.4 | G725 L731 G732 R738 N759 | G725-D729 WeakPolarHBondContact O-CB 3.48Å; G725-D729 PolarHBondContact O-N 3.26Å; D729-L731 PolarHBondContact O-N 3.41Å; D729-G732 PolarHBondContact O-N 2.9Å; D729-R738 IonicContact OD1-CZ 3.86Å; D729-R738 IonicContact OD1-NH1 2.82Å; D729-R738 PolarHBondContact OD1-NH1 3.35Å; D729-R738 VanDerWaalsContact OD1-NH1 3.15Å; D729-R738 IonicContact OD1-NH2 3.02Å; D729-R738 PolarHBondContact OD1-NH2 3.46Å; D729-N759 VanDerWaalsContact O-CB 3.25Å; D729-N759 WeakPolarHBondContact O-CB 3.34Å |
| 730 | R | 93.5 | Very high | 94.1 | Very high | 35 Ų | 35 | 40 Ų | 40 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.9 | -38.2 | 176.7 | -170.7 | 75.9 | -179.7 | 176.2 | -6.9 | 112.1 | L610 T614 R726 I727 G732 N759 L760 N762 | L610-R730 HydrophobicContact CD1-CB 4.2Å; L610-R730 HydrophobicContact CD1-CG 3.82Å; L610-R730 HydrophobicContact CD2-CB 4.28Å; L610-R730 HydrophobicContact CD2-CG 4.08Å; L610-R730 HydrophobicContact CG-CG 4.15Å; T614-R730 HydrophobicContact CG2-CG 4.27Å; R726-R730 WeakPolarHBondContact O-CB 3.34Å; R726-R730 PolarHBondContact O-N 2.96Å; I727-R730 WeakPolarHBondContact O-CB 3.38Å; I727-R730 PolarHBondContact O-N 3.3Å; R730-G732 VanDerWaalsContact C-N 3.25Å; R730-G732 PolarHBondContact O-N 3.09Å; R730-N759 VanDerWaalsContact CD-O 3.31Å; R730-N759 WeakPolarHBondContact CD-O 3.3Å; R730-N759 PolarHBondContact NH1-O 3.2Å; R730-N759 PolarHBondContact O-N 3.33Å; R730-L760 VanDerWaalsContact NH1-CA 3.3Å; R730-L760 PolarHBondContact NH1-O 3.32Å; R730-N762 PolarHBondContact NH1-O 3.32Å |
| 731 | L | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 2.6 | 178.1 | -65.7 | 178.8 | 0 | 0 | 0 | 113.8 | L610 T614 M706 L709 R710 I727 L728 D729 I733 L758 | L610-L731 HydrophobicContact CD1-CD2 4.19Å; L610-L731 HydrophobicContact CD1-CG 4.37Å; T614-L731 HydrophobicContact CG2-CD2 3.99Å; M706-L731 HydrophobicContact CB-CD2 4.31Å; M706-L731 HydrophobicContact CG-CD2 4.01Å; M706-L731 HydrophobicContact SD-CD2 4.47Å; L709-L731 HydrophobicContact CB-CD1 4.45Å; L709-L731 HydrophobicContact CD2-CD1 4.49Å; L709-L731 HydrophobicContact CG-CD1 4.33Å; R710-L731 HydrophobicContact CB-CD1 4.13Å; I727-L731 HydrophobicContact CG2-CD1 4.3Å; I727-L731 WeakPolarHBondContact O-CG 3.37Å; I727-L731 PolarHBondContact O-N 2.99Å; I727-L731 VanDerWaalsContact O-N 3.09Å; L728-L731 CarbonylContact O-C 3.22Å; L728-L731 PolarHBondContact O-N 2.81Å; D729-L731 PolarHBondContact O-N 3.41Å; L731-I733 VanDerWaalsContact C-N 3.3Å; L731-I733 HydrophobicContact CB-CD1 4.29Å; L731-I733 HydrophobicContact CB-CG1 3.85Å; L731-I733 PolarHBondContact O-N 3.16Å; L731-L758 WeakPolarHBondContact O-CD2 3.38Å |
| 732 | G | 92.7 | Very high | 93.4 | Very high | 16 Ų | 16 | 43.5 Ų | 43.5 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 21.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L728 D729 R730 E734 | L728-G732 PolarHBondContact O-N 2.78Å; D729-G732 PolarHBondContact O-N 2.9Å; R730-G732 VanDerWaalsContact C-N 3.25Å; R730-G732 PolarHBondContact O-N 3.09Å; G732-E734 PolarHBondContact O-N 2.92Å |
| 733 | I | 93.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | trans | -85 | 111.3 | -175.1 | -50.5 | -56 | 0 | 0 | 0 | 109.7 | R710 L728 L731 H737 R738 L753 | R710-I733 HydrophobicContact CG-CD1 4.18Å; R710-I733 HydrophobicContact CG-CG1 4.07Å; L728-I733 HydrophobicContact CB-CB 4.3Å; L728-I733 HydrophobicContact CD2-CB 4.31Å; L728-I733 HydrophobicContact CD2-CG1 4.11Å; L728-I733 HydrophobicContact CD2-CG2 4.46Å; L728-I733 PolarHBondContact O-N 2.81Å; L731-I733 VanDerWaalsContact C-N 3.3Å; L731-I733 HydrophobicContact CB-CD1 4.29Å; L731-I733 HydrophobicContact CB-CG1 3.85Å; L731-I733 PolarHBondContact O-N 3.16Å; I733-H737 HydrophobicContact CG2-CB 3.97Å; I733-R738 HydrophobicContact CG2-CG 3.93Å; I733-R738 PolarHBondContact O-NE 3.49Å; I733-R738 PolarHBondContact O-NH2 2.97Å; I733-L753 HydrophobicContact CD1-CD1 3.56Å; I733-L753 HydrophobicContact CD1-CD2 3.64Å; I733-L753 HydrophobicContact CD1-CG 4.24Å | ||
| 734 | E | 92.3 | Very high | 92.5 | Very high | 111 Ų | 111 | 43.8 Ų | 43.8 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | trans | -65.9 | 157.2 | 178.6 | -58.7 | -173.9 | 169.5 | 0 | 0 | 112.8 | G732 Q736 H737 R738 | G732-E734 PolarHBondContact O-N 2.92Å; E734-Q736 VanDerWaalsContact C-N 3.28Å; E734-Q736 PolarHBondContact O-N 2.49Å; E734-Q736 PolarHBondContact OE2-NE2 2.86Å; E734-H737 PolarHBondContact O-N 3.46Å; E734-R738 WeakPolarHBondContact O-CG 3.27Å | ||
| 735 | Q | 91.4 | Very high | 91.3 | Very high | 140 Ų | 140 | 44.5 Ų | 44.5 | 65% | 0.654 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -57.7 | -37.5 | -172.9 | -173.8 | 62.7 | 22 | 0 | 0 | 113 | H737 R738 | Q735-H737 PolarHBondContact O-N 2.97Å; Q735-H737 VanDerWaalsContact O-N 3.17Å; Q735-R738 PolarHBondContact O-N 3.12Å |
| 736 | Q | 88.6 | Confident | 89.4 | Confident | 115 Ų | 115 | 51.4 Ų | 51.4 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -66.5 | -15 | 178.1 | 69.1 | -93 | 16.2 | 0 | 0 | 113.8 | E734 H742 | E734-Q736 VanDerWaalsContact C-N 3.28Å; E734-Q736 PolarHBondContact O-N 2.49Å; E734-Q736 PolarHBondContact OE2-NE2 2.86Å; Q736-H742 PolarHBondContact O-CE1 2.86Å; Q736-H742 PolarHBondContact O-NE2 2.84Å |
| 737 | H | 90.4 | Very high | 87.3 | Confident | 54 Ų | 54 | 53 Ų | 53 | 25% | 0.25 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -101.7 | 17.8 | -179.2 | -60.9 | -52 | 0 | 0 | 0 | 113.9 | I733 E734 Q735 H742 Y748 | I733-H737 HydrophobicContact CG2-CB 3.97Å; E734-H737 PolarHBondContact O-N 3.46Å; Q735-H737 PolarHBondContact O-N 2.97Å; Q735-H737 VanDerWaalsContact O-N 3.17Å; H737-H742 AromaticContact ND1-CD2 3.78Å; H737-H742 AromaticContact ND1-NE2 3.38Å; H737-H742 PolarHBondContact ND1-NE2 2.93Å; H737-H742 WeakPolarHBondContact O-CB 3.49Å; H737-Y748 AromaticContact ND1-CE2 3.68Å |
| 738 | R | 93.2 | Very high | 85.2 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | trans | -109.5 | 8.8 | -176.3 | -58.8 | -178.5 | -177 | -166.5 | -7.9 | 114.6 | L290 I714 L728 D729 I733 E734 Q735 | L290-R738 VanDerWaalsContact CD1-O 3.32Å; L290-R738 WeakPolarHBondContact CD1-O 3.23Å; I714-R738 WeakPolarHBondContact CG2-O 3.33Å; L728-R738 HydrophobicContact CD1-CB 4.47Å; L728-R738 HydrophobicContact CD1-CG 4.03Å; D729-R738 IonicContact OD1-CZ 3.86Å; D729-R738 IonicContact OD1-NH1 2.82Å; D729-R738 PolarHBondContact OD1-NH1 3.35Å; D729-R738 VanDerWaalsContact OD1-NH1 3.15Å; D729-R738 IonicContact OD1-NH2 3.02Å; D729-R738 PolarHBondContact OD1-NH2 3.46Å; I733-R738 HydrophobicContact CG2-CG 3.93Å; I733-R738 PolarHBondContact O-NE 3.49Å; I733-R738 PolarHBondContact O-NH2 2.97Å; E734-R738 WeakPolarHBondContact O-CG 3.27Å; Q735-R738 PolarHBondContact O-N 3.12Å | ||
| 739 | S | 92.3 | Very high | 83.2 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -80.2 | 165.8 | 177.6 | 77.9 | 0 | 0 | 0 | 0 | 112.8 | A741 H742 | S739-A741 PolarHBondContact O-N 3.38Å; S739-A741 VanDerWaalsContact O-N 3.17Å; S739-H742 PolarHBondContact N-ND1 3.02Å; S739-H742 WeakPolarHBondContact O-CB 3.23Å; S739-H742 PolarHBondContact O-N 3.06Å; S739-H742 PolarHBondContact OG-CE1 2.97Å; S739-H742 PolarHBondContact OG-ND1 3.28Å |
| 740 | F | 92.7 | Very high | 81.6 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -56.6 | -32.3 | 178 | -178.7 | -111.4 | 0 | 0 | 0 | 113.3 | W287 L290 K291 P650 A654 L715 H742 C743 | W287-F740 AromaticContact CH2-CD2 3.69Å; W287-F740 HydrophobicContact CH2-CD2 3.69Å; W287-F740 HydrophobicContact CH2-CE1 4.5Å; W287-F740 AromaticContact CH2-CE2 3.68Å; W287-F740 HydrophobicContact CH2-CE2 3.68Å; W287-F740 HydrophobicContact CH2-CG 4.13Å; W287-F740 HydrophobicContact CH2-CZ 4.11Å; W287-F740 AromaticContact CZ3-CD2 3.7Å; W287-F740 HydrophobicContact CZ3-CD2 3.7Å; W287-F740 HydrophobicContact CZ3-CE2 4.08Å; W287-F740 HydrophobicContact CZ3-CG 4.23Å; L290-F740 HydrophobicContact CG-CB 4.2Å; L290-F740 WeakPolarHBondContact O-CB 3.47Å; L290-F740 PolarHBondContact O-N 3.37Å; K291-F740 HydrophobicContact CG-CB 4.15Å; K291-F740 HydrophobicContact CG-CD1 4.14Å; K291-F740 HydrophobicContact CG-CG 4.17Å; P650-F740 HydrophobicContact CB-CE2 3.82Å; P650-F740 HydrophobicContact CB-CZ 4.08Å; P650-F740 WeakPolarHBondContact O-CE2 3.29Å; A654-F740 HydrophobicContact CB-CE1 4.43Å; A654-F740 HydrophobicContact CB-CE2 4.09Å; A654-F740 HydrophobicContact CB-CZ 3.67Å; L715-F740 HydrophobicContact CD2-CD2 4.02Å; L715-F740 HydrophobicContact CD2-CE2 3.95Å; F740-H742 PolarHBondContact O-N 3.08Å; F740-C743 VanDerWaalsContact O-CB 3.31Å; F740-C743 WeakPolarHBondContact O-CB 3.43Å; F740-C743 PolarHBondContact O-N 3.5Å |
| 741 | A | 89.4 | Confident | 80.9 | Confident | 62 Ų | 62 | 58.8 Ų | 58.8 | 51% | 0.512 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -59.7 | -27.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S739 C743 | S739-A741 PolarHBondContact O-N 3.38Å; S739-A741 VanDerWaalsContact O-N 3.17Å; A741-C743 VanDerWaalsContact C-N 3.3Å; A741-C743 PolarHBondContact O-N 3.25Å |
| 742 | H | 91.3 | Very high | 80.3 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 15% | 0.148 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -81 | -6.8 | 179.8 | -60.7 | 92.1 | 0 | 0 | 0 | 113.3 | R710 I714 Q736 H737 S739 F740 K744 Y748 | R710-H742 PolarHBondContact NH1-O 3.18Å; R710-H742 PolarHBondContact NH2-O 3.18Å; I714-H742 HydrophobicContact CD1-CB 4.35Å; Q736-H742 PolarHBondContact O-CE1 2.86Å; Q736-H742 PolarHBondContact O-NE2 2.84Å; H737-H742 AromaticContact ND1-CD2 3.78Å; H737-H742 AromaticContact ND1-NE2 3.38Å; H737-H742 PolarHBondContact ND1-NE2 2.93Å; H737-H742 WeakPolarHBondContact O-CB 3.49Å; S739-H742 PolarHBondContact N-ND1 3.02Å; S739-H742 WeakPolarHBondContact O-CB 3.23Å; S739-H742 PolarHBondContact O-N 3.06Å; S739-H742 PolarHBondContact OG-CE1 2.97Å; S739-H742 PolarHBondContact OG-ND1 3.28Å; F740-H742 PolarHBondContact O-N 3.08Å; H742-K744 VanDerWaalsContact C-N 3.35Å; H742-Y748 AromaticContact CD2-CD2 3.46Å; H742-Y748 VanDerWaalsContact CD2-CD2 3.46Å; H742-Y748 WeakPolarHBondContact CD2-CD2 3.5Å; H742-Y748 AromaticContact CD2-CE2 3.4Å; H742-Y748 VanDerWaalsContact CD2-CE2 3.4Å; H742-Y748 WeakPolarHBondContact CD2-CE2 3.32Å |
| 743 | C | 91.4 | Very high | 80.1 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -73.8 | -23.8 | 177.6 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | P650 V711 I714 F740 A741 | P650-C743 HydrophobicContact CB-CB 3.8Å; P650-C743 HydrophobicContact CG-CB 3.64Å; V711-C743 HydrophobicContact CG1-CB 4.12Å; V711-C743 WeakPolarHBondContact CG2-O 3.17Å; I714-C743 WeakPolarHBondContact CG2-SG 3.4Å; F740-C743 VanDerWaalsContact O-CB 3.31Å; F740-C743 WeakPolarHBondContact O-CB 3.43Å; F740-C743 PolarHBondContact O-N 3.5Å; A741-C743 VanDerWaalsContact C-N 3.3Å; A741-C743 PolarHBondContact O-N 3.25Å |
| 744 | K | 80.7 | Confident | 79.9 | Confident | 53 Ų | 53 | 63 Ų | 63 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | trans | -85.9 | 117.5 | 178.8 | -66 | -163.2 | -178.8 | -154.1 | 0 | 110.6 | D651 H742 M746 N747 Y748 | D651-K744 WeakPolarHBondContact OD1-CE 3.15Å; D651-K744 IonicContact OD1-NZ 3.93Å; D651-K744 PolarHBondContact OD1-NZ 3.37Å; D651-K744 IonicContact OD2-NZ 2.94Å; D651-K744 PolarHBondContact OD2-NZ 2.76Å; H742-K744 VanDerWaalsContact C-N 3.35Å; K744-M746 PolarHBondContact O-N 2.99Å; K744-N747 HydrophobicContact CB-CB 4.09Å; K744-N747 PolarHBondContact O-N 3.34Å; K744-Y748 PolarHBondContact O-N 3.15Å; K744-Y748 VanDerWaalsContact O-N 3.12Å | ||
| 745 | L | 71.8 | Confident | 79.9 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.3 | 177.9 | -62.5 | 174.6 | 0 | 0 | 0 | 113.5 | L646 N647 Q707 | L646-L745 HydrophobicContact CD2-CD1 3.84Å; L646-L745 HydrophobicContact CG-CD1 4.21Å; N647-L745 WeakPolarHBondContact OD1-CB 3.41Å; Q707-L745 HydrophobicContact CB-CD2 4.1Å; Q707-L745 HydrophobicContact CG-CD2 4.17Å |
| 746 | M | 56.4 | Low | 79.9 | Confident | 162 Ų | 162 | 54.6 Ų | 54.6 | 80% | 0.798 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -27.6 | 178.7 | -65 | -65.7 | -68.7 | 0 | 0 | 113.3 | K744 | K744-M746 PolarHBondContact O-N 2.99Š|
| 747 | N | 50.9 | Low | 80.1 | Confident | 124 Ų | 124 | 53.5 Ų | 53.5 | 66% | 0.663 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -22.8 | -179.8 | -72 | -3.7 | 0 | 0 | 0 | 112.4 | K744 | K744-N747 HydrophobicContact CB-CB 4.09Å; K744-N747 PolarHBondContact O-N 3.34Å |
| 748 | Y | 52.2 | Low | 80.2 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -93.9 | 127.6 | 169.2 | -163.4 | -128.9 | 0 | 0 | 0 | 107.3 | H737 H742 K744 S750 C752 L753 | H737-Y748 AromaticContact ND1-CE2 3.68Å; H742-Y748 AromaticContact CD2-CD2 3.46Å; H742-Y748 VanDerWaalsContact CD2-CD2 3.46Å; H742-Y748 WeakPolarHBondContact CD2-CD2 3.5Å; H742-Y748 AromaticContact CD2-CE2 3.4Å; H742-Y748 VanDerWaalsContact CD2-CE2 3.4Å; H742-Y748 WeakPolarHBondContact CD2-CE2 3.32Å; K744-Y748 PolarHBondContact O-N 3.15Å; K744-Y748 VanDerWaalsContact O-N 3.12Å; Y748-S750 PolarHBondContact O-N 3.5Å; Y748-C752 WeakPolarHBondContact CD1-SG 3.45Å; Y748-C752 WeakPolarHBondContact CE1-SG 3.45Å; Y748-C752 VanDerWaalsContact CE2-SG 3.51Å; Y748-C752 PolarHBondContact OH-SG 3.4Å; Y748-L753 HydrophobicContact CE1-CD1 3.93Å; Y748-L753 HydrophobicContact CE1-CD2 4.13Å; Y748-L753 HydrophobicContact CE1-CG 3.75Å; Y748-L753 WeakPolarHBondContact OH-CD2 3.08Å |
| 749 | P | 54.6 | Low | 80.2 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | trans | -54.6 | 119.4 | -179 | -14.2 | 22.8 | 0 | 0 | 0 | 108.2 | R751 C752 | P749-R751 PolarHBondContact O-N 3.4Å; P749-C752 HydrophobicContact CB-CB 4.07Å; P749-C752 HydrophobicContact CG-CB 4.13Å; P749-C752 PolarHBondContact O-N 3.31Å; P749-C752 PolarHBondContact O-SG 3.15Å | ||
| 750 | S | 59.2 | Low | 79.8 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -31.4 | -168.6 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | Y703 Y748 | Y703-S750 VanDerWaalsContact OH-C 3.27Å; Y703-S750 PolarHBondContact OH-O 3.48Å; Y748-S750 PolarHBondContact O-N 3.5Å |
| 751 | R | 79.8 | Confident | 78.9 | Confident | 89 Ų | 89 | 56 Ų | 56 | 34% | 0.336 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 5.9 | -178.6 | -58.8 | -172.7 | -172.4 | -144.2 | 9.7 | 116.7 | D626 Y627 E629 P749 L753 V754 | D626-R751 VanDerWaalsContact CG-NH1 3.29Å; D626-R751 WeakPolarHBondContact OD1-CD 3.21Å; D626-R751 IonicContact OD1-CZ 3.39Å; D626-R751 IonicContact OD1-NE 3.83Å; D626-R751 IonicContact OD1-NH1 3.76Å; D626-R751 PolarHBondContact OD1-NH1 2.76Å; D626-R751 VanDerWaalsContact OD1-NH1 3.15Å; D626-R751 IonicContact OD2-CZ 3.64Å; D626-R751 IonicContact OD2-NH1 3.5Å; D626-R751 PolarHBondContact OD2-NH1 3.25Å; Y627-R751 HydrophobicContact CE1-CG 3.79Å; E629-R751 IonicContact OE1-NH2 3.58Å; E629-R751 PolarHBondContact OE1-NH2 2.95Å; P749-R751 PolarHBondContact O-N 3.4Å; R751-L753 PolarHBondContact O-N 3.34Å; R751-L753 VanDerWaalsContact O-N 3.16Å; R751-V754 HydrophobicContact CB-CB 4.49Å; R751-V754 HydrophobicContact CB-CG2 3.85Å; R751-V754 HydrophobicContact CG-CG2 4.29Å; R751-V754 VanDerWaalsContact O-CB 3.23Å; R751-V754 WeakPolarHBondContact O-CB 3.26Å; R751-V754 WeakPolarHBondContact O-CG2 3.22Å; R751-V754 PolarHBondContact O-N 3.24Å |
| 752 | C | 81.1 | Confident | 77.6 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 37% | 0.365 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.7 | -174.2 | 61.9 | 0 | 0 | 0 | 0 | 115 | Y748 P749 | Y748-C752 WeakPolarHBondContact CD1-SG 3.45Å; Y748-C752 WeakPolarHBondContact CE1-SG 3.45Å; Y748-C752 VanDerWaalsContact CE2-SG 3.51Å; Y748-C752 PolarHBondContact OH-SG 3.4Å; P749-C752 HydrophobicContact CB-CB 4.07Å; P749-C752 HydrophobicContact CG-CB 4.13Å; P749-C752 PolarHBondContact O-N 3.31Å; P749-C752 PolarHBondContact O-SG 3.15Å |
| 753 | L | 88.1 | Confident | 76.2 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -16.9 | 173.6 | -64.2 | 173.3 | 0 | 0 | 0 | 112.6 | F624 I733 Y748 R751 G755 T756 | F624-L753 WeakPolarHBondContact CB-O 3.24Å; F624-L753 HydrophobicContact CD1-CB 3.96Å; F624-L753 HydrophobicContact CD2-CB 4.09Å; F624-L753 HydrophobicContact CD2-CD1 4.48Å; F624-L753 HydrophobicContact CE1-CB 4.15Å; F624-L753 HydrophobicContact CE2-CB 4.26Å; F624-L753 HydrophobicContact CE2-CD1 3.94Å; F624-L753 HydrophobicContact CG-CB 3.94Å; F624-L753 HydrophobicContact CZ-CB 4.3Å; F624-L753 HydrophobicContact CZ-CD1 3.99Å; I733-L753 HydrophobicContact CD1-CD1 3.56Å; I733-L753 HydrophobicContact CD1-CD2 3.64Å; I733-L753 HydrophobicContact CD1-CG 4.24Å; Y748-L753 HydrophobicContact CE1-CD1 3.93Å; Y748-L753 HydrophobicContact CE1-CD2 4.13Å; Y748-L753 HydrophobicContact CE1-CG 3.75Å; Y748-L753 WeakPolarHBondContact OH-CD2 3.08Å; R751-L753 PolarHBondContact O-N 3.34Å; R751-L753 VanDerWaalsContact O-N 3.16Å; L753-G755 PolarHBondContact O-N 3.12Å; L753-T756 WeakPolarHBondContact O-CB 3.49Å; L753-T756 PolarHBondContact O-N 3.3Å; L753-T756 PolarHBondContact O-OG1 3.06Å |
| 754 | V | 91 | Very high | 75.2 | Confident | 47 Ų | 47 | 74 Ų | 74 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 129.5 | -176 | 175.2 | 0 | 0 | 0 | 0 | 109.8 | D626 Y703 R751 T756 | D626-V754 HydrophobicContact CB-CG1 3.55Å; D626-V754 HydrophobicContact CB-CG2 4.11Å; Y703-V754 HydrophobicContact CE2-CG2 4.26Å; R751-V754 HydrophobicContact CB-CB 4.49Å; R751-V754 HydrophobicContact CB-CG2 3.85Å; R751-V754 HydrophobicContact CG-CG2 4.29Å; R751-V754 VanDerWaalsContact O-CB 3.23Å; R751-V754 WeakPolarHBondContact O-CB 3.26Å; R751-V754 WeakPolarHBondContact O-CG2 3.22Å; R751-V754 PolarHBondContact O-N 3.24Å; V754-T756 PolarHBondContact O-N 3.31Å |
| 755 | G | 91.4 | Very high | 75.1 | Confident | 39 Ų | 39 | 79.1 Ų | 79.1 | 40% | 0.402 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -2.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L623 F624 L753 | L623-G755 WeakPolarHBondContact CD2-O 3.45Å; F624-G755 PolarHBondContact O-N 3.32Å; L753-G755 PolarHBondContact O-N 3.12Å |
| 756 | T | 91.7 | Very high | 75.8 | Confident | 36 Ų | 36 | 79.1 Ų | 79.1 | 22% | 0.221 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 132.4 | 173.6 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | L623 F624 L753 V754 L758 | L623-T756 WeakPolarHBondContact CA-O 3.43Å; F624-T756 PolarHBondContact N-O 3.04Å; L753-T756 WeakPolarHBondContact O-CB 3.49Å; L753-T756 PolarHBondContact O-N 3.3Å; L753-T756 PolarHBondContact O-OG1 3.06Å; V754-T756 PolarHBondContact O-N 3.31Å; T756-L758 PolarHBondContact O-N 2.84Å |
| 757 | P | 93 | Very high | 77.6 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 60% | 0.597 | 38% | 0.384 | S | S | * | . | B | Isolated β-bridge | trans | -62.1 | 130.3 | 174.7 | -22.4 | 33.6 | 0 | 0 | 0 | 112.2 | L623 | L623-P757 HydrophobicContact CD2-CB 4.41Å; L623-P757 HydrophobicContact CD2-CG 4.28Å |
| 758 | L | 93 | Very high | 79.5 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 140.7 | 170.5 | -60.4 | 166.7 | 0 | 0 | 0 | 109.5 | L619 N622 F624 M706 L731 T756 L760 | L619-L758 HydrophobicContact CD1-CD1 3.48Å; L619-L758 VanDerWaalsContact CD1-CD1 3.48Å; L619-L758 HydrophobicContact CD2-CD1 4.45Å; N622-L758 WeakPolarHBondContact O-CB 3.34Å; N622-L758 WeakPolarHBondContact O-CG 3.33Å; N622-L758 PolarHBondContact O-N 3.11Å; F624-L758 HydrophobicContact CD2-CD2 4.09Å; M706-L758 HydrophobicContact CE-CD1 3.96Å; M706-L758 HydrophobicContact SD-CD2 4.46Å; L731-L758 WeakPolarHBondContact O-CD2 3.38Å; T756-L758 PolarHBondContact O-N 2.84Å; L758-L760 HydrophobicContact CB-CD2 3.9Å; L758-L760 HydrophobicContact CB-CG 3.92Å; L758-L760 PolarHBondContact O-N 3.05Å |
| 759 | N | 91.3 | Very high | 81.4 | Confident | 84 Ų | 84 | 75.2 Ų | 75.2 | 45% | 0.449 | 40% | 0.396 | S | S | . | . | trans | -84.7 | 80.7 | 177.4 | -169.4 | -5.3 | 0 | 0 | 0 | 110.6 | D729 R730 D761 | D729-N759 VanDerWaalsContact O-CB 3.25Å; D729-N759 WeakPolarHBondContact O-CB 3.34Å; R730-N759 VanDerWaalsContact CD-O 3.31Å; R730-N759 WeakPolarHBondContact CD-O 3.3Å; R730-N759 PolarHBondContact NH1-O 3.2Å; R730-N759 PolarHBondContact O-N 3.33Å; N759-D761 VanDerWaalsContact C-N 3.34Å | ||
| 760 | L | 84.9 | Confident | 83.2 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | trans | -90.6 | 2.8 | -176.6 | -56 | -171.3 | 0 | 0 | 0 | 114.3 | K616 L619 N622 R730 L758 | K616-L760 HydrophobicContact CG-CD1 4.21Å; L619-L760 HydrophobicContact CD1-CD1 4.48Å; N622-L760 HydrophobicContact CB-CD1 3.96Å; N622-L760 HydrophobicContact CB-CG 4.5Å; N622-L760 WeakPolarHBondContact OD1-CD1 3.45Å; R730-L760 VanDerWaalsContact NH1-CA 3.3Å; R730-L760 PolarHBondContact NH1-O 3.32Å; L758-L760 HydrophobicContact CB-CD2 3.9Å; L758-L760 HydrophobicContact CB-CG 3.92Å; L758-L760 PolarHBondContact O-N 3.05Å | ||
| 761 | D | 72.9 | Confident | 84.3 | Confident | 119 Ų | 119 | 73 Ų | 73 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | trans | -80 | 130.2 | 178.2 | -63.1 | -31.1 | 0 | 0 | 0 | 108.8 | N759 | N759-D761 VanDerWaalsContact C-N 3.34Š| ||
| 762 | N | 62.6 | Low | 83.9 | Confident | 137 Ų | 137 | 70.8 Ų | 70.8 | 73% | 0.733 | 38% | 0.383 | S | S | * | . | trans | 77.6 | 117 | -164.3 | -56.6 | -27.6 | 0 | 0 | 0 | 115.2 | R730 E764 | R730-N762 PolarHBondContact NH1-O 3.32Å; N762-E764 VanDerWaalsContact C-N 3.32Å; N762-E764 PolarHBondContact O-N 3.32Å | ||
| 763 | F | 62.1 | Low | 83.3 | Confident | 161 Ų | 161 | 78.8 Ų | 78.8 | 71% | 0.706 | 42% | 0.415 | S | S | * | . | trans | -95.8 | 26.9 | -176 | -134.5 | -87.9 | 0 | 0 | 0 | 112.4 | ||||
| 764 | E | 69.9 | Low | 83 | Confident | 175 Ų | 175 | 82.5 Ų | 82.5 | 82% | 0.818 | 44% | 0.435 | S | S | * | . | trans | -69.8 | 137.4 | 179.5 | -69.9 | -170.5 | 170.9 | 0 | 0 | 110.3 | N762 C766 | N762-E764 VanDerWaalsContact C-N 3.32Å; N762-E764 PolarHBondContact O-N 3.32Å; E764-C766 PolarHBondContact O-N 3.47Å | ||
| 765 | K | 80 | Confident | 82.6 | Confident | 160 Ų | 160 | 84.3 Ų | 84.3 | 70% | 0.696 | 44% | 0.442 | S | S | * | . | trans | -59 | 128.3 | 171.9 | -69.3 | -179.3 | 178.3 | 176.6 | 0 | 107.7 | F767 | K765-F767 PolarHBondContact O-N 3.07Å; K765-F767 VanDerWaalsContact O-N 3.17Å | ||
| 766 | C | 86.9 | Confident | 82.1 | Confident | 16 Ų | 16 | 86.8 Ų | 86.8 | 11% | 0.108 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -59.5 | -32.3 | -179.2 | 65.9 | 0 | 0 | 0 | 0 | 112.2 | G607 L610 L723 R726 I727 E764 | G607-C766 WeakPolarHBondContact CA-SG 3.48Å; L610-C766 HydrophobicContact CD2-CB 3.84Å; L723-C766 HydrophobicContact CD1-CB 4.1Å; L723-C766 WeakPolarHBondContact CD1-O 3.32Å; R726-C766 PolarHBondContact NE-O 2.81Å; R726-C766 PolarHBondContact NH2-O 3.26Å; I727-C766 HydrophobicContact CG1-CB 4.45Å; E764-C766 PolarHBondContact O-N 3.47Å |
| 767 | F | 92.7 | Very high | 81.5 | Confident | 4 Ų | 4 | 89.8 Ų | 89.8 | 2% | 0.018 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -136.6 | 125.5 | 170.4 | -168.8 | -91.5 | 0 | 0 | 0 | 109.5 | T569 E571 V598 L602 A603 L723 K765 V770 | T569-F767 HydrophobicContact CG2-CE2 4.4Å; T569-F767 HydrophobicContact CG2-CZ 4.29Å; T569-F767 WeakPolarHBondContact OG1-CE2 3.47Å; T569-F767 WeakPolarHBondContact OG1-CZ 3.35Å; E571-F767 HydrophobicContact CB-CE2 4.23Å; V598-F767 HydrophobicContact CG1-CD1 4.35Å; V598-F767 HydrophobicContact CG1-CE1 3.23Å; V598-F767 HydrophobicContact CG1-CE2 4.33Å; V598-F767 HydrophobicContact CG1-CZ 3.22Å; L602-F767 HydrophobicContact CB-CB 4.37Å; L602-F767 HydrophobicContact CB-CD1 3.85Å; L602-F767 HydrophobicContact CB-CD2 4.31Å; L602-F767 HydrophobicContact CB-CE1 4.27Å; L602-F767 HydrophobicContact CB-CG 3.89Å; L602-F767 HydrophobicContact CD1-CD2 3.97Å; L602-F767 HydrophobicContact CD1-CE1 4.46Å; L602-F767 HydrophobicContact CD1-CE2 3.78Å; L602-F767 HydrophobicContact CD1-CG 4.38Å; L602-F767 HydrophobicContact CD1-CZ 4.07Å; A603-F767 HydrophobicContact CB-CD1 4.11Å; L723-F767 HydrophobicContact CD1-CB 4.04Å; L723-F767 HydrophobicContact CD2-CD2 4.22Å; K765-F767 PolarHBondContact O-N 3.07Å; K765-F767 VanDerWaalsContact O-N 3.17Å; F767-V770 HydrophobicContact CE1-CG1 4.33Å; F767-V770 HydrophobicContact CZ-CG1 4.43Å |
| 768 | P | 90.9 | Very high | 80.8 | Confident | 61 Ų | 61 | 89.7 Ų | 89.7 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | trans | -72.8 | 147 | 177.2 | 31 | -34.2 | 0 | 0 | 0 | 110.7 | T569 | T569-P768 HydrophobicContact CG2-CG 3.92Š| ||
| 769 | R | 91.9 | Very high | 80 | Confident | 154 Ų | 154 | 94.9 Ų | 94.9 | 58% | 0.581 | 48% | 0.475 | S | S | * | . | trans | -68.5 | 138 | 167.2 | -73.8 | -175.2 | 74.9 | 145.7 | -7.4 | 109 | N599 A603 N604 | N599-R769 VanDerWaalsContact OD1-CA 3.24Å; N599-R769 WeakPolarHBondContact OD1-CA 3.44Å; A603-R769 HydrophobicContact CB-CG 3.76Å; N604-R769 PolarHBondContact OD1-NH1 3.24Å | ||
| 770 | V | 92.1 | Very high | 79.2 | Confident | 18 Ų | 18 | 95.6 Ų | 95.6 | 11% | 0.109 | 48% | 0.477 | C | S | . | . | trans | -107.1 | 151 | -179.3 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | L568 T569 V598 N599 F767 | L568-V770 HydrophobicContact CD2-CG2 3.95Å; T569-V770 HydrophobicContact CG2-CG1 4.18Å; V598-V770 HydrophobicContact CG1-CG2 4.15Å; N599-V770 PolarHBondContact ND2-O 3.12Å; N599-V770 PolarHBondContact OD1-N 3.43Å; F767-V770 HydrophobicContact CE1-CG1 4.33Å; F767-V770 HydrophobicContact CZ-CG1 4.43Å | ||
| 771 | S | 83.3 | Confident | 78.8 | Confident | 66 Ų | 66 | 102.8 Ų | 102.8 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | trans | -97.6 | 150.1 | 174.6 | -170.7 | 0 | 0 | 0 | 0 | 110.3 | E773 | S771-E773 VanDerWaalsContact C-N 3.32Å; S771-E773 PolarHBondContact OG-N 3.49Å; S771-E773 VanDerWaalsContact OG-N 3.13Å | ||
| 772 | A | 71.3 | Confident | 79.3 | Confident | 44 Ų | 44 | 101.4 Ų | 101.4 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | trans | -77.9 | -22 | 167 | 0 | 0 | 0 | 0 | 0 | 112.4 | S595 | S595-A772 WeakPolarHBondContact OG-CB 3.48Š| ||
| 773 | E | 67.5 | Low | 80.8 | Confident | 221 Ų | 221 | 98.2 Ų | 98.2 | 100% | 1.033 | 48% | 0.481 | S | S | * | . | trans | -79.2 | 0 | -176.3 | -63.4 | -177.3 | 174.6 | 0 | 0 | 113.6 | S771 | S771-E773 VanDerWaalsContact C-N 3.32Å; S771-E773 PolarHBondContact OG-N 3.49Å; S771-E773 VanDerWaalsContact OG-N 3.13Å |
Retrieved 773 of 773 residues in 719.2 ms
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