| 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 | 36.6 | Very low | 64.9 | Low | 230 Ų | 230 | 89.8 Ų | 89.8 | 100% | 1.133 | 51% | 0.507 | S | S | * | . | 0 | 122.6 | 0 | -79.8 | 169.7 | 165.1 | 0 | 0 | 107.4 | |||||
| 2 | G | 49.3 | Very low | 67.1 | Low | 70 Ų | 70 | 89.7 Ų | 89.7 | 72% | 0.722 | 50% | 0.503 | S | S | * | . | trans | -79.2 | 147.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R4 | G2-R4 PolarHBondContact O-N 3.18Š| ||
| 3 | C | 55.8 | Low | 69.2 | Low | 33 Ų | 33 | 82.8 Ų | 82.8 | 22% | 0.223 | 46% | 0.464 | C | S | . | . | trans | -70 | 71 | -177.4 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | V6 C199 | C3-V6 HydrophobicContact CB-CB 4.33Å; C3-V6 HydrophobicContact CB-CG2 3.68Å; C3-C199 HydrophobicContact CB-CB 4.15Å; C3-C199 WeakPolarHBondContact CB-SG 3.43Å; C3-C199 WeakPolarHBondContact SG-CA 3.42Å; C3-C199 WeakPolarHBondContact SG-CB 3.33Å; C3-C199 CovalentContact SG-SG 2.04Å; C3-C199 PolarHBondContact SG-SG 2.93Å | ||
| 4 | R | 49.6 | Very low | 71 | Confident | 218 Ų | 218 | 80.6 Ų | 80.6 | 82% | 0.823 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -23.9 | -168.3 | -151.7 | 172.4 | 166.3 | 151.8 | -2.6 | 113.9 | G2 | G2-R4 PolarHBondContact O-N 3.18Š|
| 5 | D | 51 | Low | 72.7 | Confident | 155 Ų | 155 | 82.1 Ų | 82.1 | 83% | 0.829 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 2.2 | -177.2 | -59.9 | -43.7 | 0 | 0 | 0 | 114 | ||
| 6 | V | 59 | Low | 74.2 | Confident | 40 Ų | 40 | 78.4 Ų | 78.4 | 24% | 0.242 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 13.7 | -167.7 | -145.3 | 0 | 0 | 0 | 0 | 113.1 | C3 A8 W195 | C3-V6 HydrophobicContact CB-CB 4.33Å; C3-V6 HydrophobicContact CB-CG2 3.68Å; V6-A8 PolarHBondContact O-N 3.1Å; V6-W195 HydrophobicContact CG1-CG 4.16Å; V6-W195 VanDerWaalsContact O-CD1 3.22Å; V6-W195 PolarHBondContact O-NE1 2.85Å |
| 7 | H | 70 | Confident | 75.6 | Confident | 66 Ų | 66 | 73.8 Ų | 73.8 | 31% | 0.306 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.6 | -28.1 | -178 | -67.4 | -50.1 | 0 | 0 | 0 | 113.7 | A9 T10 V11 | H7-A9 VanDerWaalsContact C-N 3.31Å; H7-A9 PolarHBondContact O-N 2.93Å; H7-T10 PolarHBondContact O-N 3.45Å; H7-T10 PolarHBondContact O-OG1 3.31Å; H7-V11 VanDerWaalsContact O-CG2 3.3Å; H7-V11 WeakPolarHBondContact O-CG2 3.5Å; H7-V11 PolarHBondContact O-N 3.11Å |
| 8 | A | 80.7 | Confident | 76.9 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 64% | 0.636 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.8 | -39 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V6 V11 L12 | V6-A8 PolarHBondContact O-N 3.1Å; A8-V11 PolarHBondContact O-N 3.27Å; A8-L12 VanDerWaalsContact O-CB 3.29Å; A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 PolarHBondContact O-N 3.42Å |
| 9 | A | 84.9 | Confident | 78 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 22% | 0.223 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.9 | -41.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | H7 L12 A13 | H7-A9 VanDerWaalsContact C-N 3.31Å; H7-A9 PolarHBondContact O-N 2.93Å; A9-L12 PolarHBondContact O-N 3.22Å; A9-A13 VanDerWaalsContact O-CB 3.24Å; A9-A13 WeakPolarHBondContact O-CB 3.4Å; A9-A13 PolarHBondContact O-N 3Å |
| 10 | T | 86.7 | Confident | 79 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.012 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 177 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | H7 F14 W195 | H7-T10 PolarHBondContact O-N 3.45Å; H7-T10 PolarHBondContact O-OG1 3.31Å; T10-F14 WeakPolarHBondContact O-CB 3.41Å; T10-F14 PolarHBondContact O-N 3.19Å; T10-W195 HydrophobicContact CG2-CD2 3.78Å; T10-W195 HydrophobicContact CG2-CE3 4.45Å; T10-W195 HydrophobicContact CG2-CG 3.93Å; T10-W195 HydrophobicContact CG2-CZ2 4.06Å |
| 11 | V | 90.2 | Very high | 79.9 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 42% | 0.424 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.5 | -45.7 | 175.1 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | H7 A8 A13 F14 L15 M108 | H7-V11 VanDerWaalsContact O-CG2 3.3Å; H7-V11 WeakPolarHBondContact O-CG2 3.5Å; H7-V11 PolarHBondContact O-N 3.11Å; A8-V11 PolarHBondContact O-N 3.27Å; V11-A13 VanDerWaalsContact C-N 3.33Å; V11-A13 PolarHBondContact O-N 3.4Å; V11-F14 WeakPolarHBondContact O-CB 3.37Å; V11-F14 PolarHBondContact O-N 3.43Å; V11-F14 VanDerWaalsContact O-N 3.16Å; V11-L15 HydrophobicContact CG1-CD1 4.13Å; V11-L15 HydrophobicContact CG1-CG 4.45Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 3.01Å; V11-M108 HydrophobicContact CG2-SD 4.18Å |
| 12 | L | 92 | Very high | 82.9 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 176.6 | -177.2 | 62.3 | 0 | 0 | 0 | 111.7 | A8 A9 F14 L15 S16 | A8-L12 VanDerWaalsContact O-CB 3.29Å; A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 PolarHBondContact O-N 3.42Å; A9-L12 PolarHBondContact O-N 3.22Å; L12-F14 VanDerWaalsContact C-N 3.34Å; L12-L15 PolarHBondContact O-N 3.28Å; L12-S16 WeakPolarHBondContact O-CB 3.47Å; L12-S16 PolarHBondContact O-N 2.88Å; L12-S16 PolarHBondContact O-OG 3.46Å |
| 13 | A | 94.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A9 V11 S16 G17 T188 M191 L192 | A9-A13 VanDerWaalsContact O-CB 3.24Å; A9-A13 WeakPolarHBondContact O-CB 3.4Å; A9-A13 PolarHBondContact O-N 3Å; V11-A13 VanDerWaalsContact C-N 3.33Å; V11-A13 PolarHBondContact O-N 3.4Å; A13-S16 WeakPolarHBondContact CA-OG 3.42Å; A13-S16 PolarHBondContact O-OG 3.22Å; A13-S16 VanDerWaalsContact O-OG 3.08Å; A13-G17 PolarHBondContact O-N 3.45Å; A13-T188 HydrophobicContact CB-CG2 4.06Å; A13-T188 WeakPolarHBondContact O-CG2 3.22Å; A13-M191 HydrophobicContact CB-CB 4.16Å; A13-L192 HydrophobicContact CB-CD2 3.79Å; A13-L192 HydrophobicContact CB-CG 3.94Å |
| 14 | F | 94.5 | Very high | 87.2 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 23% | 0.228 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 177.1 | -179.2 | -100.9 | 0 | 0 | 0 | 112.9 | T10 V11 L12 G17 T18 L101 C104 L105 M108 | T10-F14 WeakPolarHBondContact O-CB 3.41Å; T10-F14 PolarHBondContact O-N 3.19Å; V11-F14 WeakPolarHBondContact O-CB 3.37Å; V11-F14 PolarHBondContact O-N 3.43Å; V11-F14 VanDerWaalsContact O-N 3.16Å; L12-F14 VanDerWaalsContact C-N 3.34Å; F14-G17 PolarHBondContact O-N 2.91Å; F14-T18 WeakPolarHBondContact O-CB 3.47Å; F14-T18 PolarHBondContact O-N 2.74Å; F14-T18 PolarHBondContact O-OG1 2.81Å; F14-L101 HydrophobicContact CD2-CD2 3.78Å; F14-L101 HydrophobicContact CE2-CB 4.45Å; F14-L101 HydrophobicContact CE2-CD2 3.93Å; F14-C104 HydrophobicContact CD2-CB 4.15Å; F14-L105 HydrophobicContact CE2-CB 4.2Å; F14-M108 HydrophobicContact CB-CE 3.62Å; F14-M108 HydrophobicContact CB-SD 4.04Å; F14-M108 HydrophobicContact CD1-CE 3.94Å; F14-M108 HydrophobicContact CD2-CE 3.55Å; F14-M108 HydrophobicContact CE2-CE 4.17Å; F14-M108 HydrophobicContact CG-CE 3.41Å; F14-M108 VanDerWaalsContact CG-CE 3.41Å; F14-M108 HydrophobicContact CG-SD 4.46Å |
| 15 | L | 96.3 | Very high | 89.5 | Confident | 104 Ų | 104 | 48 Ų | 48 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 178.3 | -67.9 | 175.1 | 0 | 0 | 0 | 111.8 | V11 L12 T18 A19 | V11-L15 HydrophobicContact CG1-CD1 4.13Å; V11-L15 HydrophobicContact CG1-CG 4.45Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 3.28Å; L15-T18 PolarHBondContact O-N 3.35Å; L15-A19 PolarHBondContact O-N 3.49Å |
| 16 | S | 97.1 | Very high | 91.7 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 177 | 52 | 0 | 0 | 0 | 0 | 112.4 | L12 A13 T18 A19 S20 T188 | L12-S16 WeakPolarHBondContact O-CB 3.47Å; L12-S16 PolarHBondContact O-N 2.88Å; L12-S16 PolarHBondContact O-OG 3.46Å; A13-S16 WeakPolarHBondContact CA-OG 3.42Å; A13-S16 PolarHBondContact O-OG 3.22Å; A13-S16 VanDerWaalsContact O-OG 3.08Å; S16-T18 VanDerWaalsContact C-N 3.35Å; S16-T18 PolarHBondContact O-N 3.28Å; S16-A19 PolarHBondContact O-N 2.96Å; S16-S20 WeakPolarHBondContact O-CB 3.38Å; S16-S20 PolarHBondContact O-N 2.84Å; S16-S20 PolarHBondContact O-OG 3.02Å; S16-T188 PolarHBondContact OG-OG1 2.93Å; S16-T188 VanDerWaalsContact OG-OG1 3.13Å |
| 17 | G | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A13 F14 S20 V21 T188 | A13-G17 PolarHBondContact O-N 3.45Å; F14-G17 PolarHBondContact O-N 2.91Å; G17-S20 PolarHBondContact O-N 3.17Å; G17-V21 WeakPolarHBondContact O-CG2 3.33Å; G17-V21 PolarHBondContact O-N 3.17Å; G17-T188 PolarHBondContact N-OG1 3.5Å |
| 18 | T | 98 | Very high | 94.8 | Very high | 59 Ų | 59 | 37.9 Ų | 37.9 | 36% | 0.362 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | F14 L15 S16 S20 V21 A22 | F14-T18 WeakPolarHBondContact O-CB 3.47Å; F14-T18 PolarHBondContact O-N 2.74Å; F14-T18 PolarHBondContact O-OG1 2.81Å; L15-T18 PolarHBondContact O-N 3.35Å; S16-T18 VanDerWaalsContact C-N 3.35Å; S16-T18 PolarHBondContact O-N 3.28Å; T18-S20 VanDerWaalsContact C-N 3.28Å; T18-S20 PolarHBondContact O-N 2.95Å; T18-V21 PolarHBondContact O-N 3.14Å; T18-A22 PolarHBondContact O-N 3.08Å |
| 19 | A | 98.4 | Very high | 95.5 | Very high | 64 Ų | 64 | 39.5 Ų | 39.5 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.4 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L15 S16 A22 G23 | L15-A19 PolarHBondContact O-N 3.49Å; S16-A19 PolarHBondContact O-N 2.96Å; A19-A22 PolarHBondContact O-N 2.82Å; A19-G23 PolarHBondContact O-N 3.49Å |
| 20 | S | 98.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.063 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 177.3 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | S16 G17 T18 G23 L24 S181 G184 L185 | S16-S20 WeakPolarHBondContact O-CB 3.38Å; S16-S20 PolarHBondContact O-N 2.84Å; S16-S20 PolarHBondContact O-OG 3.02Å; G17-S20 PolarHBondContact O-N 3.17Å; T18-S20 VanDerWaalsContact C-N 3.28Å; T18-S20 PolarHBondContact O-N 2.95Å; S20-G23 PolarHBondContact O-N 3.04Å; S20-L24 PolarHBondContact O-N 3.11Å; S20-S181 WeakPolarHBondContact CB-O 3.33Å; S20-S181 WeakPolarHBondContact O-CB 3.19Å; S20-G184 VanDerWaalsContact OG-CA 3.27Å; S20-G184 WeakPolarHBondContact OG-CA 3.29Å; S20-L185 PolarHBondContact OG-N 3.31Å |
| 21 | V | 98.4 | Very high | 96.2 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 174.5 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | G17 T18 G23 L24 L25 M94 A97 V98 L101 | G17-V21 WeakPolarHBondContact O-CG2 3.33Å; G17-V21 PolarHBondContact O-N 3.17Å; T18-V21 PolarHBondContact O-N 3.14Å; V21-G23 VanDerWaalsContact C-N 3.33Å; V21-G23 PolarHBondContact O-N 3.5Å; V21-L24 PolarHBondContact O-N 2.91Å; V21-L25 PolarHBondContact O-N 3.1Å; V21-M94 HydrophobicContact CG1-CG 4.23Å; V21-A97 HydrophobicContact CG2-CB 3.59Å; V21-V98 HydrophobicContact CG1-CG2 3.86Å; V21-L101 HydrophobicContact CB-CD1 4.22Å; V21-L101 HydrophobicContact CG2-CD1 3.72Å |
| 22 | A | 98.3 | Very high | 96.3 | Very high | 58 Ų | 58 | 40.3 Ų | 40.3 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T18 A19 L25 A26 | T18-A22 PolarHBondContact O-N 3.08Å; A19-A22 PolarHBondContact O-N 2.82Å; A22-L25 PolarHBondContact O-N 3.42Å; A22-A26 PolarHBondContact O-N 2.66Å |
| 23 | G | 97.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -44.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A19 S20 V21 L25 A26 A27 I177 S181 | A19-G23 PolarHBondContact O-N 3.49Å; S20-G23 PolarHBondContact O-N 3.04Å; V21-G23 VanDerWaalsContact C-N 3.33Å; V21-G23 PolarHBondContact O-N 3.5Å; G23-L25 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.26Å; G23-A26 PolarHBondContact O-N 2.83Å; G23-A27 PolarHBondContact O-N 2.77Å; G23-I177 WeakPolarHBondContact O-CG2 3.36Å; G23-S181 VanDerWaalsContact C-OG 3.26Å; G23-S181 VanDerWaalsContact CA-OG 3.31Å; G23-S181 WeakPolarHBondContact CA-OG 3.21Å |
| 24 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 173.5 | -76.1 | -179.3 | 0 | 0 | 0 | 112 | S20 V21 A26 A27 V28 L90 C147 S181 L185 | S20-L24 PolarHBondContact O-N 3.11Å; V21-L24 PolarHBondContact O-N 2.91Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 2.72Å; L24-A27 PolarHBondContact O-N 2.94Å; L24-V28 VanDerWaalsContact O-CG2 3.27Å; L24-V28 WeakPolarHBondContact O-CG2 3.34Å; L24-V28 PolarHBondContact O-N 2.88Å; L24-L90 HydrophobicContact CD2-CD2 3.95Å; L24-C147 HydrophobicContact CD2-CB 4.2Å; L24-S181 PolarHBondContact N-OG 3.3Å; L24-L185 HydrophobicContact CD1-CD1 3.78Å |
| 25 | L | 98.1 | Very high | 96.5 | Very high | 81 Ų | 81 | 35.5 Ų | 35.5 | 42% | 0.424 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 176 | -179.8 | 63.3 | 0 | 0 | 0 | 111.3 | V21 A22 G23 A27 V28 L29 M94 | V21-L25 PolarHBondContact O-N 3.1Å; A22-L25 PolarHBondContact O-N 3.42Å; G23-L25 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.26Å; L25-A27 PolarHBondContact O-N 3.2Å; L25-V28 PolarHBondContact O-N 2.85Å; L25-L29 HydrophobicContact CD1-CD1 4.03Å; L25-L29 HydrophobicContact CD1-CG 4.35Å; L25-L29 HydrophobicContact CG-CD1 4.15Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 2.8Å; L25-L29 VanDerWaalsContact O-N 3.11Å; L25-M94 HydrophobicContact CB-SD 4.07Å; L25-M94 HydrophobicContact CD1-CE 4.46Å; L25-M94 HydrophobicContact CD1-SD 3.96Å |
| 26 | A | 97.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A22 G23 L24 V28 L29 L30 | A22-A26 PolarHBondContact O-N 2.66Å; G23-A26 PolarHBondContact O-N 2.83Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 2.72Å; A26-V28 VanDerWaalsContact C-N 3.3Å; A26-V28 PolarHBondContact O-N 2.82Å; A26-L29 PolarHBondContact O-N 3.3Å; A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 VanDerWaalsContact O-CG 3.24Å; A26-L30 WeakPolarHBondContact O-CG 3.37Å; A26-L30 PolarHBondContact O-N 2.86Å |
| 27 | A | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -35.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G23 L24 L25 W33 I177 A178 | G23-A27 PolarHBondContact O-N 2.77Å; L24-A27 PolarHBondContact O-N 2.94Å; L25-A27 PolarHBondContact O-N 3.2Å; A27-W33 HydrophobicContact CB-CZ2 4.07Å; A27-W33 PolarHBondContact O-NE1 2.91Å; A27-I177 HydrophobicContact CB-CB 4.36Å; A27-I177 HydrophobicContact CB-CG2 4.05Å; A27-A178 HydrophobicContact CB-CB 3.99Å |
| 28 | V | 96.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 175.3 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | L24 L25 A26 W55 L90 | L24-V28 VanDerWaalsContact O-CG2 3.27Å; L24-V28 WeakPolarHBondContact O-CG2 3.34Å; L24-V28 PolarHBondContact O-N 2.88Å; L25-V28 PolarHBondContact O-N 2.85Å; A26-V28 VanDerWaalsContact C-N 3.3Å; A26-V28 PolarHBondContact O-N 2.82Å; V28-W55 HydrophobicContact CG1-CZ2 4.17Å; V28-W55 VanDerWaalsContact CG1-NE1 3.28Å; V28-W55 PolarHBondContact O-NE1 2.97Å; V28-L90 HydrophobicContact CG2-CB 3.51Å; V28-L90 HydrophobicContact CG2-CD1 4.15Å; V28-L90 HydrophobicContact CG2-CG 4.46Å |
| 29 | L | 95.4 | Very high | 95.1 | Very high | 110 Ų | 110 | 44.4 Ų | 44.4 | 58% | 0.576 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -86.8 | -29.1 | -173.2 | -64.5 | 175.8 | 0 | 0 | 0 | 114.1 | L25 A26 | L25-L29 HydrophobicContact CD1-CD1 4.03Å; L25-L29 HydrophobicContact CD1-CG 4.35Å; L25-L29 HydrophobicContact CG-CD1 4.15Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 2.8Å; L25-L29 VanDerWaalsContact O-N 3.11Å; A26-L29 PolarHBondContact O-N 3.3Å |
| 30 | L | 94.1 | Very high | 94.5 | Very high | 59 Ų | 59 | 43.4 Ų | 43.4 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | trans | -72.2 | 134.5 | -175.1 | -76.4 | 169.9 | 0 | 0 | 0 | 112.8 | A26 N32 S174 I177 | A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 VanDerWaalsContact O-CG 3.24Å; A26-L30 WeakPolarHBondContact O-CG 3.37Å; A26-L30 PolarHBondContact O-N 2.86Å; L30-N32 PolarHBondContact O-N 2.69Å; L30-S174 VanDerWaalsContact CB-OG 3.25Å; L30-S174 WeakPolarHBondContact CB-OG 3.45Å; L30-S174 PolarHBondContact O-OG 3.48Å; L30-I177 HydrophobicContact CD1-CD1 3.79Å | ||
| 31 | P | 91.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -76.3 | 16.8 | 178.6 | 32.1 | -35.6 | 0 | 0 | 0 | 114.6 | Y51 T52 G53 I56 | P31-Y51 CarbonylContact O-C 3.28Å; P31-T52 CarbonylContact O-C 3.56Å; P31-G53 PolarHBondContact O-N 3.46Å; P31-I56 HydrophobicContact CB-CD1 3.85Å; P31-I56 HydrophobicContact CB-CG1 3.93Å; P31-I56 HydrophobicContact CG-CD1 4.13Å |
| 32 | N | 93.3 | Very high | 93.4 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | trans | -110.1 | 46.4 | -164.1 | -64.4 | 91 | 0 | 0 | 0 | 112.6 | L30 Y51 D172 I173 S174 | L30-N32 PolarHBondContact O-N 2.69Å; N32-Y51 WeakPolarHBondContact ND2-CD1 3.5Å; N32-Y51 WeakPolarHBondContact ND2-CE1 3.42Å; N32-D172 HydrophobicContact CB-CB 4.16Å; N32-D172 WeakPolarHBondContact CB-OD2 3.47Å; N32-D172 PolarHBondContact ND2-OD2 3.45Å; N32-D172 CarbonylContact O-C 3.51Å; N32-D172 VanDerWaalsContact O-C 3.28Å; N32-D172 VanDerWaalsContact O-CB 3.31Å; N32-D172 WeakPolarHBondContact O-CB 3.42Å; N32-I173 HydrophobicContact CB-CG2 3.71Å; N32-S174 VanDerWaalsContact C-OG 3.31Å; N32-S174 VanDerWaalsContact O-CB 3.23Å; N32-S174 WeakPolarHBondContact O-CB 3.5Å; N32-S174 PolarHBondContact O-N 2.7Å; N32-S174 VanDerWaalsContact O-N 3.14Å; N32-S174 PolarHBondContact O-OG 3.3Å | ||
| 33 | W | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -89.1 | -45.2 | 177.6 | -82.1 | 86.9 | 0 | 0 | 0 | 112.5 | A27 T52 L54 L83 L86 L90 V154 V175 A178 | A27-W33 HydrophobicContact CB-CZ2 4.07Å; A27-W33 PolarHBondContact O-NE1 2.91Å; W33-T52 WeakPolarHBondContact CB-O 3.46Å; W33-T52 PolarHBondContact N-O 3.25Å; W33-T52 VanDerWaalsContact N-O 3.15Å; W33-L54 HydrophobicContact CD2-CD2 4.31Å; W33-L54 HydrophobicContact CG-CD2 4.24Å; W33-L54 HydrophobicContact CG-CG 4.32Å; W33-L54 HydrophobicContact CZ2-CD1 4.34Å; W33-L83 HydrophobicContact CB-CD2 4.22Å; W33-L86 HydrophobicContact CD2-CD1 4.19Å; W33-L86 HydrophobicContact CE3-CD1 3.52Å; W33-L86 HydrophobicContact CH2-CD1 4.04Å; W33-L86 HydrophobicContact CH2-CD2 3.77Å; W33-L86 HydrophobicContact CZ3-CD1 3.43Å; W33-L86 VanDerWaalsContact CZ3-CD1 3.43Å; W33-L86 HydrophobicContact CZ3-CD2 3.88Å; W33-L86 HydrophobicContact CZ3-CG 4.32Å; W33-L90 HydrophobicContact CH2-CD1 3.76Å; W33-L90 HydrophobicContact CZ2-CD1 3.35Å; W33-V154 HydrophobicContact CE3-CG2 4.42Å; W33-V175 HydrophobicContact CD2-CG2 4.49Å; W33-V175 HydrophobicContact CE3-CG2 3.59Å; W33-V175 HydrophobicContact CZ3-CG2 3.88Å; W33-A178 HydrophobicContact CH2-CB 3.49Å; W33-A178 VanDerWaalsContact CH2-CB 3.49Å; W33-A178 HydrophobicContact CZ2-CB 4.03Å; W33-A178 HydrophobicContact CZ3-CB 4.45Å |
| 34 | R | 94.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 131.4 | 177.7 | 169.6 | -179.4 | -73.5 | 132.8 | 13.4 | 109.5 | T52 D82 N158 F169 S170 | R34-T52 PolarHBondContact N-O 2.67Å; R34-T52 VanDerWaalsContact N-O 3.09Å; R34-T52 WeakPolarHBondContact O-CA 3.39Å; R34-T52 WeakPolarHBondContact O-CB 3.41Å; R34-T52 PolarHBondContact O-N 2.69Å; R34-D82 IonicContact CZ-OD2 3.3Å; R34-D82 VanDerWaalsContact CZ-OD2 3.3Å; R34-D82 IonicContact NH1-OD1 3.5Å; R34-D82 PolarHBondContact NH1-OD1 3.33Å; R34-D82 IonicContact NH1-OD2 3.06Å; R34-D82 PolarHBondContact NH1-OD2 3.01Å; R34-D82 IonicContact NH2-OD2 2.66Å; R34-D82 PolarHBondContact NH2-OD2 2.7Å; R34-N158 PolarHBondContact NE-OD1 3.12Å; R34-N158 PolarHBondContact NH2-OD1 2.9Å; R34-F169 HydrophobicContact CG-CD1 4.34Å; R34-S170 CarbonylContact C-O 3.42Å; R34-S170 WeakPolarHBondContact CA-O 3.28Å |
| 35 | Q | 94 | Very high | 91.3 | Very high | 38 Ų | 38 | 74 Ų | 74 | 18% | 0.178 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 143.5 | 170.5 | -70.6 | 175.7 | -4 | 0 | 0 | 109.5 | T49 V50 Y51 F169 S170 D172 | Q35-T49 HydrophobicContact CB-CG2 4.41Å; Q35-V50 CarbonylContact C-O 3.19Å; Q35-V50 VanDerWaalsContact CA-O 3.26Å; Q35-V50 WeakPolarHBondContact CA-O 3.26Å; Q35-Y51 HydrophobicContact CG-CD1 3.9Å; Q35-Y51 HydrophobicContact CG-CE1 3.63Å; Q35-Y51 PolarHBondContact NE2-OH 2.7Å; Q35-F169 WeakPolarHBondContact O-CA 3.5Å; Q35-S170 WeakPolarHBondContact CB-OG 3.39Å; Q35-S170 PolarHBondContact N-O 3.08Å; Q35-S170 PolarHBondContact O-N 2.87Å; Q35-S170 PolarHBondContact OE1-OG 2.71Å; Q35-D172 HydrophobicContact CG-CB 3.89Å; Q35-D172 PolarHBondContact NE2-OD1 3.31Å; Q35-D172 PolarHBondContact NE2-OD2 3.47Å |
| 36 | M | 92.8 | Very high | 90.8 | Very high | 55 Ų | 55 | 77.2 Ų | 77.2 | 27% | 0.271 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 120.1 | 167.3 | -176.9 | -172.1 | -171.1 | 0 | 0 | 108 | L38 T49 V50 V168 F169 | M36-L38 HydrophobicContact CE-CD2 3.62Å; M36-L38 HydrophobicContact CG-CD2 4.39Å; M36-L38 HydrophobicContact SD-CD2 4.21Å; M36-T49 WeakPolarHBondContact O-CA 3.41Å; M36-V50 HydrophobicContact CB-CB 4.32Å; M36-V50 PolarHBondContact N-O 3.44Å; M36-V50 PolarHBondContact O-N 2.67Å; M36-V168 WeakPolarHBondContact CA-O 3.15Å; M36-V168 HydrophobicContact CE-CG2 3.9Å; M36-V168 HydrophobicContact CG-CG2 4.21Å; M36-F169 HydrophobicContact CB-CD1 4.1Å; M36-F169 HydrophobicContact CB-CE1 4.16Å; M36-F169 HydrophobicContact CE-CE1 4.33Å; M36-F169 HydrophobicContact CE-CZ 4.13Å; M36-F169 HydrophobicContact CG-CD1 4.17Å; M36-F169 HydrophobicContact CG-CE1 3.94Å; M36-F169 HydrophobicContact SD-CE1 3.86Å; M36-F169 HydrophobicContact SD-CZ 4.24Å |
| 37 | R | 91.1 | Very high | 90.5 | Very high | 97 Ų | 97 | 77.3 Ų | 77.3 | 37% | 0.366 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120 | 179.3 | -168.7 | 163.9 | -178.6 | -155.8 | 8.7 | 110.2 | Y39 D62 V168 | R37-Y39 HydrophobicContact CB-CE2 4.32Å; R37-Y39 WeakPolarHBondContact CD-OH 3.5Å; R37-Y39 HydrophobicContact CG-CE1 4.17Å; R37-Y39 HydrophobicContact CG-CE2 4.04Å; R37-Y39 PolarHBondContact NH1-OH 3.31Å; R37-D62 IonicContact CZ-OD2 3.18Å; R37-D62 IonicContact NE-OD1 3.93Å; R37-D62 IonicContact NE-OD2 2.86Å; R37-D62 PolarHBondContact NE-OD2 3.46Å; R37-D62 IonicContact NH2-OD2 2.69Å; R37-D62 PolarHBondContact NH2-OD2 3.06Å; R37-V168 PolarHBondContact N-O 2.89Å |
| 38 | L | 89.2 | Confident | 90.3 | Very high | 82 Ų | 82 | 79.1 Ų | 79.1 | 43% | 0.429 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113.6 | 179.1 | -61.4 | 173.2 | 0 | 0 | 0 | 108.5 | M36 V48 V50 | M36-L38 HydrophobicContact CE-CD2 3.62Å; M36-L38 HydrophobicContact CG-CD2 4.39Å; M36-L38 HydrophobicContact SD-CD2 4.21Å; L38-V48 PolarHBondContact N-O 3.28Å; L38-V48 PolarHBondContact O-N 3.07Å; L38-V48 VanDerWaalsContact O-N 3.14Å; L38-V50 HydrophobicContact CD1-CG2 4.36Å |
| 39 | Y | 86.8 | Confident | 90.1 | Very high | 137 Ų | 137 | 78.9 Ų | 78.9 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | trans | -90.7 | 130 | 176.1 | -63.3 | -80.6 | 0 | 0 | 0 | 109.7 | R37 | R37-Y39 HydrophobicContact CB-CE2 4.32Å; R37-Y39 WeakPolarHBondContact CD-OH 3.5Å; R37-Y39 HydrophobicContact CG-CE1 4.17Å; R37-Y39 HydrophobicContact CG-CE2 4.04Å; R37-Y39 PolarHBondContact NH1-OH 3.31Å | ||
| 40 | T | 86.1 | Confident | 90.1 | Very high | 43 Ų | 43 | 74.6 Ų | 74.6 | 26% | 0.264 | 35% | 0.354 | S | S | . | . | trans | -98.3 | 136.4 | 170.2 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | N42 E45 N47 | T40-N42 VanDerWaalsContact C-N 3.25Å; T40-N42 PolarHBondContact OG1-N 3.34Å; T40-E45 HydrophobicContact CG2-CB 3.5Å; T40-E45 VanDerWaalsContact CG2-CB 3.5Å; T40-E45 WeakPolarHBondContact CG2-O 3.5Å; T40-E45 PolarHBondContact OG1-OE2 3.48Å; T40-N47 PolarHBondContact N-OD1 3.18Å | ||
| 41 | F | 84.1 | Confident | 90.1 | Very high | 207 Ų | 207 | 72.3 Ų | 72.3 | 91% | 0.908 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -81.6 | -10.1 | 174 | -65.4 | -79.1 | 0 | 0 | 0 | 112.1 | K43 | F41-K43 PolarHBondContact O-N 3.19Š|
| 42 | N | 88.6 | Confident | 90.2 | Very high | 67 Ų | 67 | 71.4 Ų | 71.4 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | trans | -78.1 | 116.7 | 175.4 | -174.8 | -2.1 | 0 | 0 | 0 | 109.9 | T40 N44 E45 | T40-N42 VanDerWaalsContact C-N 3.25Å; T40-N42 PolarHBondContact OG1-N 3.34Å; N42-N44 PolarHBondContact O-N 3.1Å; N42-N44 VanDerWaalsContact O-N 3.08Å; N42-N44 PolarHBondContact OD1-N 3.5Å; N42-N44 VanDerWaalsContact OD1-N 3.11Å; N42-E45 HydrophobicContact CB-CB 4.28Å; N42-E45 HydrophobicContact CB-CG 4.25Å; N42-E45 PolarHBondContact ND2-OE1 3.04Å; N42-E45 PolarHBondContact O-N 3.46Å; N42-E45 VanDerWaalsContact O-N 3.1Å | ||
| 43 | K | 81.8 | Confident | 90.3 | Very high | 204 Ų | 204 | 70 Ų | 70 | 89% | 0.887 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.2 | 179.6 | -67.8 | -175 | 179.7 | 178.5 | 0 | 113.9 | F41 | F41-K43 PolarHBondContact O-N 3.19Š|
| 44 | N | 83.8 | Confident | 90.3 | Very high | 154 Ų | 154 | 70.1 Ų | 70.1 | 82% | 0.824 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -10.8 | -179.3 | -62.4 | -27.7 | 0 | 0 | 0 | 113 | N42 | N42-N44 PolarHBondContact O-N 3.1Å; N42-N44 VanDerWaalsContact O-N 3.08Å; N42-N44 PolarHBondContact OD1-N 3.5Å; N42-N44 VanDerWaalsContact OD1-N 3.11Å |
| 45 | E | 85.4 | Confident | 90.3 | Very high | 113 Ų | 113 | 73.9 Ų | 73.9 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -104.3 | 148 | -179.5 | -72.9 | 169.2 | -157.8 | 0 | 0 | 111 | T40 N42 | T40-E45 HydrophobicContact CG2-CB 3.5Å; T40-E45 VanDerWaalsContact CG2-CB 3.5Å; T40-E45 WeakPolarHBondContact CG2-O 3.5Å; T40-E45 PolarHBondContact OG1-OE2 3.48Å; N42-E45 HydrophobicContact CB-CB 4.28Å; N42-E45 HydrophobicContact CB-CG 4.25Å; N42-E45 PolarHBondContact ND2-OE1 3.04Å; N42-E45 PolarHBondContact O-N 3.46Å; N42-E45 VanDerWaalsContact O-N 3.1Å |
| 46 | K | 87 | Confident | 90.4 | Very high | 147 Ų | 147 | 73.8 Ų | 73.8 | 64% | 0.639 | 34% | 0.343 | S | S | * | . | trans | -89.2 | 140.9 | 175 | -68.4 | -174.8 | 179.2 | -179.3 | 0 | 109.9 | F61 | K46-F61 HydrophobicContact CB-CB 4.33Å; K46-F61 HydrophobicContact CB-CD1 3.82Å; K46-F61 HydrophobicContact CB-CG 4.33Å; K46-F61 HydrophobicContact CD-CB 4.35Å | ||
| 47 | N | 91.1 | Very high | 90.5 | Very high | 42 Ų | 42 | 74.3 Ų | 74.3 | 23% | 0.225 | 34% | 0.344 | C | S | . | . | trans | -59.3 | 147.5 | 169.2 | -63.7 | -27.5 | 0 | 0 | 0 | 110.5 | T40 F61 D62 | T40-N47 PolarHBondContact N-OD1 3.18Å; N47-F61 WeakPolarHBondContact O-CA 3.23Å; N47-D62 HydrophobicContact CB-CB 4.26Å; N47-D62 VanDerWaalsContact CB-OD2 3.23Å; N47-D62 WeakPolarHBondContact CB-OD2 3.31Å; N47-D62 PolarHBondContact O-N 3.3Å | ||
| 48 | V | 92.6 | Very high | 90.6 | Very high | 37 Ų | 37 | 70 Ų | 70 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.8 | -178.9 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | L38 V50 A59 R60 F61 | L38-V48 PolarHBondContact N-O 3.28Å; L38-V48 PolarHBondContact O-N 3.07Å; L38-V48 VanDerWaalsContact O-N 3.14Å; V48-V50 HydrophobicContact CG1-CG2 4.36Å; V48-A59 HydrophobicContact CG1-CB 4.17Å; V48-R60 WeakPolarHBondContact CA-O 3.48Å; V48-F61 HydrophobicContact CG2-CD1 3.6Å; V48-F61 HydrophobicContact CG2-CE1 3.6Å |
| 49 | T | 93.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.4 | 171.4 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | Q35 M36 Y51 R60 D62 | Q35-T49 HydrophobicContact CB-CG2 4.41Å; M36-T49 WeakPolarHBondContact O-CA 3.41Å; T49-Y51 HydrophobicContact CG2-CD2 4.28Å; T49-Y51 HydrophobicContact CG2-CE2 3.44Å; T49-Y51 VanDerWaalsContact CG2-CE2 3.44Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.26Å; T49-R60 PolarHBondContact N-O 3.08Å; T49-R60 PolarHBondContact O-N 2.94Å; T49-D62 PolarHBondContact OG1-OD1 3.33Å |
| 50 | V | 94.2 | Very high | 91.2 | Very high | 20 Ų | 20 | 64.1 Ų | 64.1 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.1 | 179.1 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | Q35 M36 L38 V48 K57 A59 | Q35-V50 CarbonylContact C-O 3.19Å; Q35-V50 VanDerWaalsContact CA-O 3.26Å; Q35-V50 WeakPolarHBondContact CA-O 3.26Å; M36-V50 HydrophobicContact CB-CB 4.32Å; M36-V50 PolarHBondContact N-O 3.44Å; M36-V50 PolarHBondContact O-N 2.67Å; L38-V50 HydrophobicContact CD1-CG2 4.36Å; V48-V50 HydrophobicContact CG1-CG2 4.36Å; V50-K57 HydrophobicContact CG1-CD 4.47Å; V50-K57 VanDerWaalsContact CG1-CE 3.44Å; V50-K57 HydrophobicContact CG1-CG 4.25Å; V50-A59 HydrophobicContact CG2-CB 4.13Å |
| 51 | Y | 94.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 114.9 | 175.2 | -67.5 | -92.7 | 0 | 0 | 0 | 109.3 | P31 N32 Q35 T49 K57 C58 R60 | P31-Y51 CarbonylContact O-C 3.28Å; N32-Y51 WeakPolarHBondContact ND2-CD1 3.5Å; N32-Y51 WeakPolarHBondContact ND2-CE1 3.42Å; Q35-Y51 HydrophobicContact CG-CD1 3.9Å; Q35-Y51 HydrophobicContact CG-CE1 3.63Å; Q35-Y51 PolarHBondContact NE2-OH 2.7Å; T49-Y51 HydrophobicContact CG2-CD2 4.28Å; T49-Y51 HydrophobicContact CG2-CE2 3.44Å; T49-Y51 VanDerWaalsContact CG2-CE2 3.44Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.26Å; Y51-K57 WeakPolarHBondContact O-CA 3.39Å; Y51-C58 WeakPolarHBondContact CA-O 3.18Å; Y51-C58 WeakPolarHBondContact CB-O 3.37Å; Y51-C58 PolarHBondContact N-O 3.06Å; Y51-C58 PolarHBondContact O-N 2.77Å; Y51-R60 HydrophobicContact CD2-CG 4.02Å; Y51-R60 VanDerWaalsContact CE2-CD 3.42Å; Y51-R60 HydrophobicContact CE2-CG 3.56Å; Y51-R60 VanDerWaalsContact CE2-CZ 3.49Å; Y51-R60 PolarHBondContact OH-NE 2.93Å; Y51-R60 PolarHBondContact OH-NH2 3.43Å |
| 52 | T | 94.7 | Very high | 91.6 | Very high | 10 Ų | 10 | 58 Ų | 58 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 114.7 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | P31 W33 R34 W74 L83 | P31-T52 CarbonylContact O-C 3.56Å; W33-T52 WeakPolarHBondContact CB-O 3.46Å; W33-T52 PolarHBondContact N-O 3.25Å; W33-T52 VanDerWaalsContact N-O 3.15Å; R34-T52 PolarHBondContact N-O 2.67Å; R34-T52 VanDerWaalsContact N-O 3.09Å; R34-T52 WeakPolarHBondContact O-CA 3.39Å; R34-T52 WeakPolarHBondContact O-CB 3.41Å; R34-T52 PolarHBondContact O-N 2.69Å; T52-W74 HydrophobicContact CG2-CZ2 3.51Å; T52-L83 HydrophobicContact CG2-CD1 3.63Å |
| 53 | G | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -98.3 | -173.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P31 I56 W74 | P31-G53 PolarHBondContact O-N 3.46Å; G53-I56 VanDerWaalsContact CA-O 3.29Å; G53-I56 WeakPolarHBondContact CA-O 3.44Å; G53-I56 PolarHBondContact N-O 3.27Å; G53-W74 PolarHBondContact O-NE1 3.19Å | ||
| 54 | L | 95.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -77.6 | -43.6 | 172 | -57.5 | 176.5 | 0 | 0 | 0 | 111.4 | W33 L83 L86 Q87 L90 | W33-L54 HydrophobicContact CD2-CD2 4.31Å; W33-L54 HydrophobicContact CG-CD2 4.24Å; W33-L54 HydrophobicContact CG-CG 4.32Å; W33-L54 HydrophobicContact CZ2-CD1 4.34Å; L54-L83 HydrophobicContact CD2-CD2 4.23Å; L54-L86 HydrophobicContact CD2-CB 3.55Å; L54-L86 HydrophobicContact CD2-CD1 4.23Å; L54-Q87 HydrophobicContact CB-CG 4.08Å; L54-Q87 PolarHBondContact O-NE2 2.03Å; L54-L90 HydrophobicContact CD1-CD1 3.54Å |
| 55 | W | 95.7 | Very high | 91.7 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 31% | 0.311 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -103.6 | -35.8 | -173.1 | -49.4 | 109.5 | 0 | 0 | 0 | 113.3 | V28 Y75 Q87 P91 | V28-W55 HydrophobicContact CG1-CZ2 4.17Å; V28-W55 VanDerWaalsContact CG1-NE1 3.28Å; V28-W55 PolarHBondContact O-NE1 2.97Å; W55-Y75 PolarHBondContact O-N 3Å; W55-Q87 HydrophobicContact CH2-CB 4.1Å; W55-Q87 HydrophobicContact CH2-CG 4.33Å; W55-Q87 HydrophobicContact CZ3-CB 4.35Å; W55-Q87 HydrophobicContact CZ3-CG 4.24Å; W55-P91 HydrophobicContact CH2-CG 4.48Å; W55-P91 HydrophobicContact CZ2-CG 4.12Å |
| 56 | I | 94.7 | Very high | 91.9 | Very high | 35 Ų | 35 | 55.6 Ų | 55.6 | 18% | 0.179 | 28% | 0.282 | C | S | . | . | trans | -128.1 | 154.1 | -172.4 | 58.8 | 159.7 | 0 | 0 | 0 | 110.3 | P31 G53 Y70 D71 | P31-I56 HydrophobicContact CB-CD1 3.85Å; P31-I56 HydrophobicContact CB-CG1 3.93Å; P31-I56 HydrophobicContact CG-CD1 4.13Å; G53-I56 VanDerWaalsContact CA-O 3.29Å; G53-I56 WeakPolarHBondContact CA-O 3.44Å; G53-I56 PolarHBondContact N-O 3.27Å; I56-Y70 HydrophobicContact CB-CE2 4.32Å; I56-Y70 HydrophobicContact CD1-CE2 3.77Å; I56-D71 WeakPolarHBondContact CA-O 3.49Å | ||
| 57 | K | 94.5 | Very high | 92 | Very high | 67 Ų | 67 | 51.5 Ų | 51.5 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.6 | 172.6 | -176.8 | 177.4 | -178.5 | 179.1 | 0 | 109.5 | V50 Y51 D71 W74 | V50-K57 HydrophobicContact CG1-CD 4.47Å; V50-K57 VanDerWaalsContact CG1-CE 3.44Å; V50-K57 HydrophobicContact CG1-CG 4.25Å; Y51-K57 WeakPolarHBondContact O-CA 3.39Å; K57-D71 HydrophobicContact CB-CB 4.38Å; K57-D71 PolarHBondContact N-O 3.25Å; K57-D71 VanDerWaalsContact N-O 3.16Å; K57-D71 PolarHBondContact O-N 2.81Å; K57-W74 HydrophobicContact CB-CB 3.84Å; K57-W74 HydrophobicContact CB-CD2 3.76Å; K57-W74 HydrophobicContact CB-CE3 4.21Å; K57-W74 HydrophobicContact CB-CG 3.57Å; K57-W74 HydrophobicContact CD-CD2 3.86Å; K57-W74 HydrophobicContact CD-CE3 3.6Å; K57-W74 HydrophobicContact CD-CH2 4.23Å; K57-W74 HydrophobicContact CD-CZ2 4.43Å; K57-W74 HydrophobicContact CD-CZ3 3.81Å; K57-W74 HydrophobicContact CG-CD2 4.41Å |
| 58 | C | 94.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.3 | -179.3 | 162.5 | 0 | 0 | 0 | 0 | 110.2 | Y51 C67 I69 | Y51-C58 WeakPolarHBondContact CA-O 3.18Å; Y51-C58 WeakPolarHBondContact CB-O 3.37Å; Y51-C58 PolarHBondContact N-O 3.06Å; Y51-C58 PolarHBondContact O-N 2.77Å; C58-C67 HydrophobicContact CB-CB 4.05Å; C58-C67 WeakPolarHBondContact CB-SG 3.19Å; C58-C67 WeakPolarHBondContact SG-CB 3.28Å; C58-C67 CovalentContact SG-SG 2.03Å; C58-C67 PolarHBondContact SG-SG 3.05Å; C58-I69 CarbonylContact C-O 3.56Å; C58-I69 VanDerWaalsContact CA-O 3.25Å; C58-I69 WeakPolarHBondContact CA-O 3.48Å |
| 59 | A | 94.4 | Very high | 92 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V48 V50 C67 V68 I69 | V48-A59 HydrophobicContact CG1-CB 4.17Å; V50-A59 HydrophobicContact CG2-CB 4.13Å; A59-C67 CarbonylContact O-C 3.58Å; A59-V68 PolarHBondContact O-N 2.92Å; A59-I69 HydrophobicContact CB-CB 4Å; A59-I69 HydrophobicContact CB-CD1 4.46Å; A59-I69 HydrophobicContact CB-CG1 4.44Å; A59-I69 PolarHBondContact N-O 3.02Å; A59-I69 PolarHBondContact O-N 2.73Å |
| 60 | R | 93.6 | Very high | 92 | Very high | 86 Ų | 86 | 63.1 Ų | 63.1 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.6 | 178.3 | 69 | -173.7 | -169.4 | -173.4 | 1.1 | 111 | V48 T49 Y51 D66 | V48-R60 WeakPolarHBondContact CA-O 3.48Å; T49-R60 PolarHBondContact N-O 3.08Å; T49-R60 PolarHBondContact O-N 2.94Å; Y51-R60 HydrophobicContact CD2-CG 4.02Å; Y51-R60 VanDerWaalsContact CE2-CD 3.42Å; Y51-R60 HydrophobicContact CE2-CG 3.56Å; Y51-R60 VanDerWaalsContact CE2-CZ 3.49Å; Y51-R60 PolarHBondContact OH-NE 2.93Å; Y51-R60 PolarHBondContact OH-NH2 3.43Å; R60-D66 WeakPolarHBondContact CB-O 3.44Å |
| 61 | F | 92.1 | Very high | 92 | Very high | 78 Ų | 78 | 64.9 Ų | 64.9 | 34% | 0.342 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 143.3 | 166.3 | -66.9 | -63.9 | 0 | 0 | 0 | 109.9 | K46 N47 V48 G63 S64 V68 | K46-F61 HydrophobicContact CB-CB 4.33Å; K46-F61 HydrophobicContact CB-CD1 3.82Å; K46-F61 HydrophobicContact CB-CG 4.33Å; K46-F61 HydrophobicContact CD-CB 4.35Å; N47-F61 WeakPolarHBondContact O-CA 3.23Å; V48-F61 HydrophobicContact CG2-CD1 3.6Å; V48-F61 HydrophobicContact CG2-CE1 3.6Å; F61-G63 PolarHBondContact O-N 3.49Å; F61-S64 WeakPolarHBondContact O-CB 3.05Å; F61-S64 PolarHBondContact O-N 3.43Å; F61-V68 HydrophobicContact CD2-CG2 3.38Å; F61-V68 HydrophobicContact CE2-CB 4.31Å; F61-V68 HydrophobicContact CE2-CG1 3.96Å; F61-V68 HydrophobicContact CE2-CG2 3.45Å; F61-V68 VanDerWaalsContact CE2-CG2 3.45Å; F61-V68 HydrophobicContact CG-CG2 4.25Å; F61-V68 HydrophobicContact CZ-CG1 4.39Å; F61-V68 HydrophobicContact CZ-CG2 4.37Å |
| 62 | D | 86.4 | Confident | 91.9 | Very high | 42 Ų | 42 | 67.8 Ų | 67.8 | 23% | 0.225 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 127.7 | 174.7 | -77.5 | -3.9 | 0 | 0 | 0 | 110.4 | R37 N47 T49 | R37-D62 IonicContact CZ-OD2 3.18Å; R37-D62 IonicContact NE-OD1 3.93Å; R37-D62 IonicContact NE-OD2 2.86Å; R37-D62 PolarHBondContact NE-OD2 3.46Å; R37-D62 IonicContact NH2-OD2 2.69Å; R37-D62 PolarHBondContact NH2-OD2 3.06Å; N47-D62 HydrophobicContact CB-CB 4.26Å; N47-D62 VanDerWaalsContact CB-OD2 3.23Å; N47-D62 WeakPolarHBondContact CB-OD2 3.31Å; N47-D62 PolarHBondContact O-N 3.3Å; T49-D62 PolarHBondContact OG1-OD1 3.33Å |
| 63 | G | 84.1 | Confident | 91.9 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 96% | 0.959 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | -9.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F61 | F61-G63 PolarHBondContact O-N 3.49Š|
| 64 | S | 88.2 | Confident | 91.9 | Very high | 41 Ų | 41 | 74.7 Ų | 74.7 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | trans | -92.6 | 146.1 | 170.8 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | F61 D66 | F61-S64 WeakPolarHBondContact O-CB 3.05Å; F61-S64 PolarHBondContact O-N 3.43Å; S64-D66 PolarHBondContact OG-N 2.91Å | ||
| 65 | R | 84.6 | Confident | 91.7 | Very high | 235 Ų | 235 | 80.1 Ų | 80.1 | 89% | 0.887 | 41% | 0.405 | S | S | * | . | trans | -90.4 | -19.3 | 169.3 | -68.4 | -175 | 179.7 | 169.7 | 0.5 | 112.5 | ||||
| 66 | D | 89.2 | Confident | 91.5 | Very high | 120 Ų | 120 | 80.4 Ų | 80.4 | 64% | 0.642 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -84 | 138.1 | -174 | -57.8 | -36.6 | 0 | 0 | 0 | 111.4 | R60 S64 V68 | R60-D66 WeakPolarHBondContact CB-O 3.44Å; S64-D66 PolarHBondContact OG-N 2.91Å; D66-V68 PolarHBondContact O-N 3.43Å |
| 67 | C | 90.3 | Very high | 91.4 | Very high | 61 Ų | 61 | 81.4 Ų | 81.4 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | trans | -75.9 | 116.2 | 171.8 | -66.6 | 0 | 0 | 0 | 0 | 109.2 | C58 A59 Y70 | C58-C67 HydrophobicContact CB-CB 4.05Å; C58-C67 WeakPolarHBondContact CB-SG 3.19Å; C58-C67 WeakPolarHBondContact SG-CB 3.28Å; C58-C67 CovalentContact SG-SG 2.03Å; C58-C67 PolarHBondContact SG-SG 3.05Å; A59-C67 CarbonylContact O-C 3.58Å; C67-Y70 HydrophobicContact CB-CD2 4.46Å | ||
| 68 | V | 91.3 | Very high | 91.3 | Very high | 83 Ų | 83 | 78.2 Ų | 78.2 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -75.5 | -41.4 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | A59 F61 D66 | A59-V68 PolarHBondContact O-N 2.92Å; F61-V68 HydrophobicContact CD2-CG2 3.38Å; F61-V68 HydrophobicContact CE2-CB 4.31Å; F61-V68 HydrophobicContact CE2-CG1 3.96Å; F61-V68 HydrophobicContact CE2-CG2 3.45Å; F61-V68 VanDerWaalsContact CE2-CG2 3.45Å; F61-V68 HydrophobicContact CG-CG2 4.25Å; F61-V68 HydrophobicContact CZ-CG1 4.39Å; F61-V68 HydrophobicContact CZ-CG2 4.37Å; D66-V68 PolarHBondContact O-N 3.43Å |
| 69 | I | 91.4 | Very high | 91 | Very high | 114 Ų | 114 | 83.9 Ų | 83.9 | 59% | 0.585 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.9 | 172.8 | -56.8 | 175.4 | 0 | 0 | 0 | 106.2 | C58 A59 | C58-I69 CarbonylContact C-O 3.56Å; C58-I69 VanDerWaalsContact CA-O 3.25Å; C58-I69 WeakPolarHBondContact CA-O 3.48Å; A59-I69 HydrophobicContact CB-CB 4Å; A59-I69 HydrophobicContact CB-CD1 4.46Å; A59-I69 HydrophobicContact CB-CG1 4.44Å; A59-I69 PolarHBondContact N-O 3.02Å; A59-I69 PolarHBondContact O-N 2.73Å |
| 70 | Y | 93.9 | Very high | 90.8 | Very high | 131 Ų | 131 | 85.1 Ų | 85.1 | 51% | 0.514 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114.2 | 176 | -178.7 | -99.2 | 0 | 0 | 0 | 108.6 | I56 C67 P72 | I56-Y70 HydrophobicContact CB-CE2 4.32Å; I56-Y70 HydrophobicContact CD1-CE2 3.77Å; C67-Y70 HydrophobicContact CB-CD2 4.46Å; Y70-P72 HydrophobicContact CE1-CB 3.94Å; Y70-P72 HydrophobicContact CE1-CG 4.42Å; Y70-P72 WeakPolarHBondContact O-CD 3.45Å |
| 71 | D | 94.6 | Very high | 90.8 | Very high | 56 Ų | 56 | 86 Ų | 86 | 30% | 0.299 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 102.7 | 179.4 | -177.9 | -0.4 | 0 | 0 | 0 | 109.8 | I56 K57 Q73 W74 | I56-D71 WeakPolarHBondContact CA-O 3.49Å; K57-D71 HydrophobicContact CB-CB 4.38Å; K57-D71 PolarHBondContact N-O 3.25Å; K57-D71 VanDerWaalsContact N-O 3.16Å; K57-D71 PolarHBondContact O-N 2.81Å; D71-Q73 VanDerWaalsContact C-N 3.3Å; D71-Q73 WeakPolarHBondContact OD1-CA 3.19Å; D71-Q73 PolarHBondContact OD1-N 2.97Å; D71-W74 HydrophobicContact CB-CB 4.37Å; D71-W74 PolarHBondContact OD1-N 2.76Å; D71-W74 VanDerWaalsContact OD1-N 3.09Å |
| 72 | P | 92.4 | Very high | 90.9 | Very high | 73 Ų | 73 | 82.4 Ų | 82.4 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -14.7 | 177.5 | 31.6 | -34 | 0 | 0 | 0 | 113.4 | Y70 | Y70-P72 HydrophobicContact CE1-CB 3.94Å; Y70-P72 HydrophobicContact CE1-CG 4.42Å; Y70-P72 WeakPolarHBondContact O-CD 3.45Å |
| 73 | Q | 94.3 | Very high | 91.3 | Very high | 130 Ų | 130 | 80.4 Ų | 80.4 | 61% | 0.607 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 5.2 | -179.8 | -67.1 | -174.5 | -33.2 | 0 | 0 | 112.4 | D71 Y75 T76 | D71-Q73 VanDerWaalsContact C-N 3.3Å; D71-Q73 WeakPolarHBondContact OD1-CA 3.19Å; D71-Q73 PolarHBondContact OD1-N 2.97Å; Q73-Y75 PolarHBondContact O-N 3.22Å; Q73-T76 PolarHBondContact O-N 2.89Å; Q73-T76 PolarHBondContact O-OG1 3.29Å |
| 74 | W | 93.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 82.2 Ų | 82.2 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -44.3 | -40.5 | 177.8 | 169.2 | -114.2 | 0 | 0 | 0 | 113.1 | T52 G53 K57 D71 T76 A77 V78 | T52-W74 HydrophobicContact CG2-CZ2 3.51Å; G53-W74 PolarHBondContact O-NE1 3.19Å; K57-W74 HydrophobicContact CB-CB 3.84Å; K57-W74 HydrophobicContact CB-CD2 3.76Å; K57-W74 HydrophobicContact CB-CE3 4.21Å; K57-W74 HydrophobicContact CB-CG 3.57Å; K57-W74 HydrophobicContact CD-CD2 3.86Å; K57-W74 HydrophobicContact CD-CE3 3.6Å; K57-W74 HydrophobicContact CD-CH2 4.23Å; K57-W74 HydrophobicContact CD-CZ2 4.43Å; K57-W74 HydrophobicContact CD-CZ3 3.81Å; K57-W74 HydrophobicContact CG-CD2 4.41Å; D71-W74 HydrophobicContact CB-CB 4.37Å; D71-W74 PolarHBondContact OD1-N 2.76Å; D71-W74 VanDerWaalsContact OD1-N 3.09Å; W74-T76 PolarHBondContact O-N 2.94Å; W74-A77 CarbonylContact O-C 3.47Å; W74-A77 PolarHBondContact O-N 2.86Å; W74-V78 HydrophobicContact CD2-CG2 4.21Å; W74-V78 HydrophobicContact CG-CG2 4.4Å; W74-V78 HydrophobicContact CZ2-CG2 4.06Å; W74-V78 VanDerWaalsContact O-CG2 3.28Å; W74-V78 WeakPolarHBondContact O-CG2 3.38Å; W74-V78 PolarHBondContact O-N 2.67Å |
| 75 | Y | 92.1 | Very high | 92.2 | Very high | 115 Ų | 115 | 82.6 Ų | 82.6 | 45% | 0.451 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -52.3 | -30.4 | 178.9 | 74.7 | -86.5 | 0 | 0 | 0 | 114.6 | W55 Q73 Q87 | W55-Y75 PolarHBondContact O-N 3Å; Q73-Y75 PolarHBondContact O-N 3.22Å; Y75-Q87 PolarHBondContact O-NE2 3.09Å |
| 76 | T | 92.5 | Very high | 92.8 | Very high | 88 Ų | 88 | 71.4 Ų | 71.4 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -79.3 | -27.9 | 178.2 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | Q73 W74 | Q73-T76 PolarHBondContact O-N 2.89Å; Q73-T76 PolarHBondContact O-OG1 3.29Å; W74-T76 PolarHBondContact O-N 2.94Å |
| 77 | A | 91.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 67.2 Ų | 67.2 | 47% | 0.471 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -99.2 | -3.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W74 D79 | W74-A77 CarbonylContact O-C 3.47Å; W74-A77 PolarHBondContact O-N 2.86Å; A77-D79 PolarHBondContact O-N 3.26Å; A77-D79 VanDerWaalsContact O-N 3.1Å |
| 78 | V | 92.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -56.8 | 118 | 174.8 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | W74 L83 R84 | W74-V78 HydrophobicContact CD2-CG2 4.21Å; W74-V78 HydrophobicContact CG-CG2 4.4Å; W74-V78 HydrophobicContact CZ2-CG2 4.06Å; W74-V78 VanDerWaalsContact O-CG2 3.28Å; W74-V78 WeakPolarHBondContact O-CG2 3.38Å; W74-V78 PolarHBondContact O-N 2.67Å; V78-L83 HydrophobicContact CG1-CB 3.71Å; V78-L83 HydrophobicContact CG1-CD1 4.42Å; V78-R84 HydrophobicContact CB-CG 4.31Å; V78-R84 HydrophobicContact CG1-CG 3.85Å; V78-R84 PolarHBondContact O-NE 3.05Å; V78-R84 PolarHBondContact O-NH2 3.47Å | ||
| 79 | D | 88.8 | Confident | 93.7 | Very high | 124 Ų | 124 | 67.6 Ų | 67.6 | 66% | 0.663 | 34% | 0.336 | S | S | * | . | trans | -103.2 | -19.1 | 176.2 | 62.6 | -19 | 0 | 0 | 0 | 112 | A77 L81 | A77-D79 PolarHBondContact O-N 3.26Å; A77-D79 VanDerWaalsContact O-N 3.1Å; D79-L81 PolarHBondContact O-N 3.03Å | ||
| 80 | Q | 90.3 | Very high | 94 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | trans | -76.1 | 121.4 | -176.8 | -45.3 | -170.4 | -69.7 | 0 | 0 | 111.4 | D82 L83 R84 | Q80-D82 VanDerWaalsContact C-N 3.31Å; Q80-D82 WeakPolarHBondContact CB-OD1 3.49Å; Q80-D82 PolarHBondContact O-N 3.15Å; Q80-L83 HydrophobicContact CB-CD1 4.41Å; Q80-L83 PolarHBondContact O-N 3.09Å; Q80-R84 PolarHBondContact O-N 2.79Å; Q80-R84 VanDerWaalsContact O-N 3.07Å | ||
| 81 | L | 93.2 | Very high | 94.2 | Very high | 105 Ų | 105 | 57.5 Ų | 57.5 | 55% | 0.55 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | -175.6 | -179.4 | 64.2 | 0 | 0 | 0 | 112.7 | D79 L83 R84 V85 W153 | D79-L81 PolarHBondContact O-N 3.03Å; L81-L83 PolarHBondContact O-N 3.32Å; L81-R84 PolarHBondContact O-N 2.9Å; L81-V85 HydrophobicContact CD1-CG2 4.11Å; L81-V85 HydrophobicContact CG-CG2 4.3Å; L81-V85 VanDerWaalsContact O-CG2 3.26Å; L81-V85 WeakPolarHBondContact O-CG2 3.29Å; L81-V85 PolarHBondContact O-N 2.89Å; L81-W153 HydrophobicContact CD2-CH2 3.96Å; L81-W153 HydrophobicContact CD2-CZ2 4.43Å; L81-W153 HydrophobicContact CG-CH2 4.46Å |
| 82 | D | 94.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | -179.5 | 63.3 | -40.8 | 0 | 0 | 0 | 112.2 | R34 Q80 L86 V154 Y157 | R34-D82 IonicContact CZ-OD2 3.3Å; R34-D82 VanDerWaalsContact CZ-OD2 3.3Å; R34-D82 IonicContact NH1-OD1 3.5Å; R34-D82 PolarHBondContact NH1-OD1 3.33Å; R34-D82 IonicContact NH1-OD2 3.06Å; R34-D82 PolarHBondContact NH1-OD2 3.01Å; R34-D82 IonicContact NH2-OD2 2.66Å; R34-D82 PolarHBondContact NH2-OD2 2.7Å; Q80-D82 VanDerWaalsContact C-N 3.31Å; Q80-D82 WeakPolarHBondContact CB-OD1 3.49Å; Q80-D82 PolarHBondContact O-N 3.15Å; D82-L86 PolarHBondContact O-N 2.83Å; D82-V154 HydrophobicContact CB-CG2 4.3Å; D82-Y157 HydrophobicContact CB-CD1 4.12Å; D82-Y157 HydrophobicContact CB-CG 4.47Å; D82-Y157 VanDerWaalsContact CG-CD1 3.45Å; D82-Y157 WeakPolarHBondContact OD2-CD1 3.14Å |
| 83 | L | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.7 | -38.8 | 176.6 | -66.2 | 177.5 | 0 | 0 | 0 | 112 | W33 T52 L54 V78 Q80 L81 V85 L86 Q87 | W33-L83 HydrophobicContact CB-CD2 4.22Å; T52-L83 HydrophobicContact CG2-CD1 3.63Å; L54-L83 HydrophobicContact CD2-CD2 4.23Å; V78-L83 HydrophobicContact CG1-CB 3.71Å; V78-L83 HydrophobicContact CG1-CD1 4.42Å; Q80-L83 HydrophobicContact CB-CD1 4.41Å; Q80-L83 PolarHBondContact O-N 3.09Å; L81-L83 PolarHBondContact O-N 3.32Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 2.96Å; L83-L86 HydrophobicContact CD2-CD1 4.49Å; L83-L86 WeakPolarHBondContact O-CB 3.48Å; L83-L86 PolarHBondContact O-N 3.14Å; L83-Q87 WeakPolarHBondContact O-CG 3.24Å; L83-Q87 PolarHBondContact O-N 3.03Å |
| 84 | R | 95.5 | Very high | 94.8 | Very high | 130 Ų | 130 | 50 Ų | 50 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 174.9 | -74.8 | -169.1 | 178.3 | -156.3 | -1.5 | 112.3 | V78 Q80 L81 L86 Q87 F88 | V78-R84 HydrophobicContact CB-CG 4.31Å; V78-R84 HydrophobicContact CG1-CG 3.85Å; V78-R84 PolarHBondContact O-NE 3.05Å; V78-R84 PolarHBondContact O-NH2 3.47Å; Q80-R84 PolarHBondContact O-N 2.79Å; Q80-R84 VanDerWaalsContact O-N 3.07Å; L81-R84 PolarHBondContact O-N 2.9Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.44Å; R84-Q87 WeakPolarHBondContact O-CB 3.3Å; R84-Q87 PolarHBondContact O-N 3.39Å; R84-F88 PolarHBondContact O-N 3.26Å |
| 85 | V | 96.4 | Very high | 95 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 30% | 0.297 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 176.5 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | L81 L83 F88 A89 P150 | L81-V85 HydrophobicContact CD1-CG2 4.11Å; L81-V85 HydrophobicContact CG-CG2 4.3Å; L81-V85 VanDerWaalsContact O-CG2 3.26Å; L81-V85 WeakPolarHBondContact O-CG2 3.29Å; L81-V85 PolarHBondContact O-N 2.89Å; L83-V85 VanDerWaalsContact C-N 3.35Å; L83-V85 PolarHBondContact O-N 2.96Å; V85-F88 PolarHBondContact O-N 3.22Å; V85-A89 WeakPolarHBondContact O-CB 3.41Å; V85-A89 PolarHBondContact O-N 3.43Å; V85-P150 HydrophobicContact CG1-CB 3.77Å; V85-P150 HydrophobicContact CG1-CG 4.36Å |
| 86 | L | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 175.8 | -77.8 | 166.5 | 0 | 0 | 0 | 113.8 | W33 L54 D82 L83 R84 F88 A89 L90 P150 V154 | W33-L86 HydrophobicContact CD2-CD1 4.19Å; W33-L86 HydrophobicContact CE3-CD1 3.52Å; W33-L86 HydrophobicContact CH2-CD1 4.04Å; W33-L86 HydrophobicContact CH2-CD2 3.77Å; W33-L86 HydrophobicContact CZ3-CD1 3.43Å; W33-L86 VanDerWaalsContact CZ3-CD1 3.43Å; W33-L86 HydrophobicContact CZ3-CD2 3.88Å; W33-L86 HydrophobicContact CZ3-CG 4.32Å; L54-L86 HydrophobicContact CD2-CB 3.55Å; L54-L86 HydrophobicContact CD2-CD1 4.23Å; D82-L86 PolarHBondContact O-N 2.83Å; L83-L86 HydrophobicContact CD2-CD1 4.49Å; L83-L86 WeakPolarHBondContact O-CB 3.48Å; L83-L86 PolarHBondContact O-N 3.14Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.44Å; L86-F88 PolarHBondContact O-N 2.77Å; L86-A89 PolarHBondContact O-N 3.48Å; L86-L90 HydrophobicContact CB-CD1 4.3Å; L86-L90 HydrophobicContact CD2-CD1 3.85Å; L86-L90 HydrophobicContact CD2-CD2 4.31Å; L86-L90 HydrophobicContact CD2-CG 3.9Å; L86-L90 PolarHBondContact O-N 3.17Å; L86-P150 HydrophobicContact CD2-CB 3.83Å; L86-P150 HydrophobicContact CD2-CG 3.96Å; L86-P150 HydrophobicContact CG-CB 4.04Å; L86-V154 HydrophobicContact CD1-CG2 3.34Å |
| 87 | Q | 96.4 | Very high | 95.6 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57 | -29.5 | 175.1 | -75.3 | 174 | -32.2 | 0 | 0 | 112.3 | L54 W55 Y75 L83 R84 P91 | L54-Q87 HydrophobicContact CB-CG 4.08Å; L54-Q87 PolarHBondContact O-NE2 2.03Å; W55-Q87 HydrophobicContact CH2-CB 4.1Å; W55-Q87 HydrophobicContact CH2-CG 4.33Å; W55-Q87 HydrophobicContact CZ3-CB 4.35Å; W55-Q87 HydrophobicContact CZ3-CG 4.24Å; Y75-Q87 PolarHBondContact O-NE2 3.09Å; L83-Q87 WeakPolarHBondContact O-CG 3.24Å; L83-Q87 PolarHBondContact O-N 3.03Å; R84-Q87 WeakPolarHBondContact O-CB 3.3Å; R84-Q87 PolarHBondContact O-N 3.39Å; Q87-P91 VanDerWaalsContact O-CD 3.24Å; Q87-P91 WeakPolarHBondContact O-CD 3.31Å; Q87-P91 VanDerWaalsContact O-CG 3.27Å; Q87-P91 WeakPolarHBondContact O-CG 3.25Å |
| 88 | F | 95.9 | Very high | 95.9 | Very high | 147 Ų | 147 | 45.4 Ų | 45.4 | 65% | 0.645 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -92.1 | -47.8 | 175.4 | 178.3 | -103.4 | 0 | 0 | 0 | 112.7 | R84 V85 L86 L90 P91 L92 | R84-F88 PolarHBondContact O-N 3.26Å; V85-F88 PolarHBondContact O-N 3.22Å; L86-F88 PolarHBondContact O-N 2.77Å; F88-L90 PolarHBondContact O-N 3.02Å; F88-P91 WeakPolarHBondContact O-CD 3.34Å; F88-L92 HydrophobicContact CE1-CD2 3.68Å; F88-L92 HydrophobicContact CZ-CD2 3.9Å; F88-L92 WeakPolarHBondContact O-CB 3.37Å; F88-L92 PolarHBondContact O-N 3.42Å; F88-L92 VanDerWaalsContact O-N 3.13Å |
| 89 | A | 97.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 5% | 0.05 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -39.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113 | V85 L86 L92 S93 I146 P150 | V85-A89 WeakPolarHBondContact O-CB 3.41Å; V85-A89 PolarHBondContact O-N 3.43Å; L86-A89 PolarHBondContact O-N 3.48Å; A89-L92 PolarHBondContact O-N 2.87Å; A89-S93 VanDerWaalsContact O-CB 3.24Å; A89-S93 WeakPolarHBondContact O-CB 3.25Å; A89-S93 PolarHBondContact O-N 3.01Å; A89-I146 HydrophobicContact CB-CG2 3.97Å; A89-I146 VanDerWaalsContact O-CG2 3.27Å; A89-I146 WeakPolarHBondContact O-CG2 3.36Å; A89-P150 HydrophobicContact CB-CG 3.76Å |
| 90 | L | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.6 | -46.4 | -177.9 | -65 | 169.4 | 0 | 0 | 0 | 112.7 | L24 V28 W33 L54 L86 F88 L92 S93 M94 C147 A178 | L24-L90 HydrophobicContact CD2-CD2 3.95Å; V28-L90 HydrophobicContact CG2-CB 3.51Å; V28-L90 HydrophobicContact CG2-CD1 4.15Å; V28-L90 HydrophobicContact CG2-CG 4.46Å; W33-L90 HydrophobicContact CH2-CD1 3.76Å; W33-L90 HydrophobicContact CZ2-CD1 3.35Å; L54-L90 HydrophobicContact CD1-CD1 3.54Å; L86-L90 HydrophobicContact CB-CD1 4.3Å; L86-L90 HydrophobicContact CD2-CD1 3.85Å; L86-L90 HydrophobicContact CD2-CD2 4.31Å; L86-L90 HydrophobicContact CD2-CG 3.9Å; L86-L90 PolarHBondContact O-N 3.17Å; F88-L90 PolarHBondContact O-N 3.02Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.15Å; L90-S93 PolarHBondContact O-N 3.3Å; L90-M94 WeakPolarHBondContact O-CB 3.2Å; L90-M94 PolarHBondContact O-N 3.06Å; L90-C147 HydrophobicContact CD2-CB 3.73Å; L90-A178 HydrophobicContact CD2-CB 4.47Å |
| 91 | P | 97.7 | Very high | 96.8 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 21% | 0.214 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -41 | 171.5 | -27.4 | 37.8 | 0 | 0 | 0 | 113 | W55 Q87 F88 M94 L95 | W55-P91 HydrophobicContact CH2-CG 4.48Å; W55-P91 HydrophobicContact CZ2-CG 4.12Å; Q87-P91 VanDerWaalsContact O-CD 3.24Å; Q87-P91 WeakPolarHBondContact O-CD 3.31Å; Q87-P91 VanDerWaalsContact O-CG 3.27Å; Q87-P91 WeakPolarHBondContact O-CG 3.25Å; F88-P91 WeakPolarHBondContact O-CD 3.34Å; P91-M94 PolarHBondContact O-N 2.76Å; P91-L95 WeakPolarHBondContact O-CG 3.23Å; P91-L95 PolarHBondContact O-N 3.2Å |
| 92 | L | 98.1 | Very high | 96.8 | Very high | 60 Ų | 60 | 42.9 Ų | 42.9 | 31% | 0.314 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -47 | 176.8 | -179.5 | 62.9 | 0 | 0 | 0 | 111.7 | F88 A89 L90 M94 L95 T96 I146 | F88-L92 HydrophobicContact CE1-CD2 3.68Å; F88-L92 HydrophobicContact CZ-CD2 3.9Å; F88-L92 WeakPolarHBondContact O-CB 3.37Å; F88-L92 PolarHBondContact O-N 3.42Å; F88-L92 VanDerWaalsContact O-N 3.13Å; A89-L92 PolarHBondContact O-N 2.87Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.15Å; L92-M94 VanDerWaalsContact C-N 3.28Å; L92-M94 PolarHBondContact O-N 3.4Å; L92-L95 PolarHBondContact O-N 2.96Å; L92-T96 HydrophobicContact CD1-CG2 4.43Å; L92-T96 WeakPolarHBondContact O-CG2 3.43Å; L92-T96 PolarHBondContact O-N 3.34Å; L92-T96 PolarHBondContact O-OG1 3.13Å; L92-T96 VanDerWaalsContact O-OG1 3.09Å; L92-I146 HydrophobicContact CB-CG2 4.47Å; L92-I146 HydrophobicContact CD2-CD1 4.12Å; L92-I146 HydrophobicContact CD2-CG2 4.29Å; L92-I146 HydrophobicContact CG-CD1 4.2Å; L92-I146 HydrophobicContact CG-CG2 4.46Å |
| 93 | S | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58 | -42 | 173.8 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | A89 L90 T96 A97 A143 C147 | A89-S93 VanDerWaalsContact O-CB 3.24Å; A89-S93 WeakPolarHBondContact O-CB 3.25Å; A89-S93 PolarHBondContact O-N 3.01Å; L90-S93 PolarHBondContact O-N 3.3Å; S93-T96 WeakPolarHBondContact CA-OG1 3.08Å; S93-T96 PolarHBondContact O-OG1 3.19Å; S93-A97 VanDerWaalsContact O-CB 3.28Å; S93-A97 WeakPolarHBondContact O-CB 3.33Å; S93-A97 PolarHBondContact O-N 3.49Å; S93-A143 PolarHBondContact OG-O 2.95Å; S93-C147 WeakPolarHBondContact OG-CB 3.34Å; S93-C147 PolarHBondContact OG-SG 2.85Å |
| 94 | M | 97.9 | Very high | 96.4 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 21% | 0.207 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -45.4 | 178.4 | -174.4 | 175.8 | 64.8 | 0 | 0 | 111.4 | V21 L25 L90 P91 L92 A97 V98 | V21-M94 HydrophobicContact CG1-CG 4.23Å; L25-M94 HydrophobicContact CB-SD 4.07Å; L25-M94 HydrophobicContact CD1-CE 4.46Å; L25-M94 HydrophobicContact CD1-SD 3.96Å; L90-M94 WeakPolarHBondContact O-CB 3.2Å; L90-M94 PolarHBondContact O-N 3.06Å; P91-M94 PolarHBondContact O-N 2.76Å; L92-M94 VanDerWaalsContact C-N 3.28Å; L92-M94 PolarHBondContact O-N 3.4Å; M94-A97 PolarHBondContact O-N 2.91Å; M94-V98 WeakPolarHBondContact O-CB 3.4Å; M94-V98 VanDerWaalsContact O-CG2 3.27Å; M94-V98 WeakPolarHBondContact O-CG2 3.48Å; M94-V98 PolarHBondContact O-N 2.98Å |
| 95 | L | 98.1 | Very high | 96.1 | Very high | 112 Ų | 112 | 42.1 Ų | 42.1 | 59% | 0.586 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60 | -48.1 | 176.5 | -72.2 | 171.4 | 0 | 0 | 0 | 111.5 | P91 L92 A97 V98 S99 | P91-L95 WeakPolarHBondContact O-CG 3.23Å; P91-L95 PolarHBondContact O-N 3.2Å; L92-L95 PolarHBondContact O-N 2.96Å; L95-A97 PolarHBondContact O-N 2.82Å; L95-V98 PolarHBondContact O-N 3.47Å; L95-S99 PolarHBondContact O-N 3.4Å; L95-S99 PolarHBondContact O-OG 3.48Å |
| 96 | T | 98.2 | Very high | 95.4 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 177.7 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | L92 S93 S99 A100 A143 | L92-T96 HydrophobicContact CD1-CG2 4.43Å; L92-T96 WeakPolarHBondContact O-CG2 3.43Å; L92-T96 PolarHBondContact O-N 3.34Å; L92-T96 PolarHBondContact O-OG1 3.13Å; L92-T96 VanDerWaalsContact O-OG1 3.09Å; S93-T96 WeakPolarHBondContact CA-OG1 3.08Å; S93-T96 PolarHBondContact O-OG1 3.19Å; T96-S99 PolarHBondContact O-N 3.45Å; T96-A100 PolarHBondContact O-N 3.13Å; T96-A143 VanDerWaalsContact OG1-CB 3.28Å; T96-A143 WeakPolarHBondContact OG1-CB 3.04Å |
| 97 | A | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.1 | -37.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V21 S93 M94 L95 A100 L101 F140 A143 L185 | V21-A97 HydrophobicContact CG2-CB 3.59Å; S93-A97 VanDerWaalsContact O-CB 3.28Å; S93-A97 WeakPolarHBondContact O-CB 3.33Å; S93-A97 PolarHBondContact O-N 3.49Å; M94-A97 PolarHBondContact O-N 2.91Å; L95-A97 PolarHBondContact O-N 2.82Å; A97-A100 WeakPolarHBondContact O-CB 3.27Å; A97-A100 PolarHBondContact O-N 3.32Å; A97-L101 WeakPolarHBondContact O-CG 3.21Å; A97-L101 PolarHBondContact O-N 3.16Å; A97-F140 HydrophobicContact CB-CD1 4.3Å; A97-F140 HydrophobicContact CB-CE1 4.23Å; A97-A143 HydrophobicContact CB-CB 4.01Å; A97-L185 HydrophobicContact CB-CD2 3.82Å |
| 98 | V | 98.3 | Very high | 93.7 | Very high | 51 Ų | 51 | 43.2 Ų | 43.2 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 173.7 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | V21 M94 L95 A100 L101 F102 | V21-V98 HydrophobicContact CG1-CG2 3.86Å; M94-V98 WeakPolarHBondContact O-CB 3.4Å; M94-V98 VanDerWaalsContact O-CG2 3.27Å; M94-V98 WeakPolarHBondContact O-CG2 3.48Å; M94-V98 PolarHBondContact O-N 2.98Å; L95-V98 PolarHBondContact O-N 3.47Å; V98-A100 VanDerWaalsContact C-N 3.28Å; V98-A100 PolarHBondContact O-N 3.3Å; V98-L101 WeakPolarHBondContact O-CB 3.5Å; V98-L101 PolarHBondContact O-N 2.94Å; V98-L101 VanDerWaalsContact O-N 3.17Å; V98-F102 HydrophobicContact CG1-CD2 3.86Å; V98-F102 HydrophobicContact CG1-CE2 3.56Å; V98-F102 WeakPolarHBondContact O-CD2 3.24Å; V98-F102 PolarHBondContact O-N 3.28Å |
| 99 | S | 96.6 | Very high | 92.3 | Very high | 61 Ų | 61 | 38.5 Ų | 38.5 | 43% | 0.427 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.1 | -40.1 | 172.5 | -58.4 | 0 | 0 | 0 | 0 | 112 | L95 T96 F102 L103 | L95-S99 PolarHBondContact O-N 3.4Å; L95-S99 PolarHBondContact O-OG 3.48Å; T96-S99 PolarHBondContact O-N 3.45Å; S99-F102 PolarHBondContact O-N 3.39Å; S99-L103 PolarHBondContact O-N 3.4Å; S99-L103 VanDerWaalsContact O-N 3.09Å |
| 100 | A | 97.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T96 A97 V98 F102 L103 C104 A136 L139 F140 | T96-A100 PolarHBondContact O-N 3.13Å; A97-A100 WeakPolarHBondContact O-CB 3.27Å; A97-A100 PolarHBondContact O-N 3.32Å; V98-A100 VanDerWaalsContact C-N 3.28Å; V98-A100 PolarHBondContact O-N 3.3Å; A100-F102 PolarHBondContact O-N 3.07Å; A100-L103 PolarHBondContact O-N 3.35Å; A100-C104 PolarHBondContact O-N 3.46Å; A100-A136 HydrophobicContact CB-CB 4.45Å; A100-L139 HydrophobicContact CB-CB 3.69Å; A100-L139 HydrophobicContact CB-CD1 4.41Å; A100-F140 HydrophobicContact CB-CD1 3.83Å; A100-F140 HydrophobicContact CB-CD2 3.77Å; A100-F140 HydrophobicContact CB-CE1 3.71Å; A100-F140 HydrophobicContact CB-CE2 3.63Å; A100-F140 HydrophobicContact CB-CG 3.86Å; A100-F140 HydrophobicContact CB-CZ 3.61Å |
| 101 | L | 96.3 | Very high | 88.3 | Confident | 21 Ų | 21 | 43.5 Ų | 43.5 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 174.9 | -77.3 | 171.4 | 0 | 0 | 0 | 112.1 | F14 V21 A97 V98 C104 L105 F140 | F14-L101 HydrophobicContact CD2-CD2 3.78Å; F14-L101 HydrophobicContact CE2-CB 4.45Å; F14-L101 HydrophobicContact CE2-CD2 3.93Å; V21-L101 HydrophobicContact CB-CD1 4.22Å; V21-L101 HydrophobicContact CG2-CD1 3.72Å; A97-L101 WeakPolarHBondContact O-CG 3.21Å; A97-L101 PolarHBondContact O-N 3.16Å; V98-L101 WeakPolarHBondContact O-CB 3.5Å; V98-L101 PolarHBondContact O-N 2.94Å; V98-L101 VanDerWaalsContact O-N 3.17Å; L101-C104 WeakPolarHBondContact O-CB 3.33Å; L101-C104 PolarHBondContact O-N 3.26Å; L101-L105 WeakPolarHBondContact O-CB 3.27Å; L101-L105 PolarHBondContact O-N 2.87Å; L101-F140 HydrophobicContact CD2-CE1 4.44Å; L101-F140 HydrophobicContact CD2-CZ 3.82Å; L101-F140 HydrophobicContact CG-CE1 4.17Å; L101-F140 HydrophobicContact CG-CZ 3.84Å |
| 102 | F | 93.6 | Very high | 86.1 | Confident | 129 Ų | 129 | 45.2 Ų | 45.2 | 57% | 0.566 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 173.9 | -80.8 | -67.6 | 0 | 0 | 0 | 111.9 | V98 S99 A100 C104 L105 I106 | V98-F102 HydrophobicContact CG1-CD2 3.86Å; V98-F102 HydrophobicContact CG1-CE2 3.56Å; V98-F102 WeakPolarHBondContact O-CD2 3.24Å; V98-F102 PolarHBondContact O-N 3.28Å; S99-F102 PolarHBondContact O-N 3.39Å; A100-F102 PolarHBondContact O-N 3.07Å; F102-C104 PolarHBondContact O-N 2.91Å; F102-L105 PolarHBondContact O-N 2.88Å; F102-I106 VanDerWaalsContact O-CG1 3.27Å; F102-I106 WeakPolarHBondContact O-CG1 3.27Å; F102-I106 PolarHBondContact O-N 3.3Å |
| 103 | L | 91 | Very high | 83.5 | Confident | 46 Ų | 46 | 50.3 Ų | 50.3 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.6 | -70.1 | 179 | 0 | 0 | 0 | 112.4 | S99 A100 I106 G107 V135 A136 L139 | S99-L103 PolarHBondContact O-N 3.4Å; S99-L103 VanDerWaalsContact O-N 3.09Å; A100-L103 PolarHBondContact O-N 3.35Å; L103-I106 PolarHBondContact O-N 2.93Å; L103-G107 PolarHBondContact O-N 3.34Å; L103-V135 HydrophobicContact CD1-CB 4.2Å; L103-V135 HydrophobicContact CD1-CG1 3.65Å; L103-A136 HydrophobicContact CB-CB 3.92Å; L103-L139 HydrophobicContact CD1-CD1 3.75Å |
| 104 | C | 89.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 172.4 | -85.1 | 0 | 0 | 0 | 0 | 111.8 | F14 A100 L101 F102 G107 M108 H133 A136 L192 | F14-C104 HydrophobicContact CD2-CB 4.15Å; A100-C104 PolarHBondContact O-N 3.46Å; L101-C104 WeakPolarHBondContact O-CB 3.33Å; L101-C104 PolarHBondContact O-N 3.26Å; F102-C104 PolarHBondContact O-N 2.91Å; C104-G107 PolarHBondContact O-N 2.67Å; C104-M108 WeakPolarHBondContact O-CG 3.46Å; C104-M108 PolarHBondContact O-N 3.48Å; C104-H133 PolarHBondContact O-CE1 3.42Å; C104-A136 WeakPolarHBondContact SG-CB 3.31Å; C104-L192 VanDerWaalsContact SG-CD1 3.56Å |
| 105 | L | 87.9 | Confident | 78.7 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 38% | 0.377 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 177.6 | -176.4 | 64.1 | 0 | 0 | 0 | 111.2 | F14 L101 F102 G107 M108 C109 | F14-L105 HydrophobicContact CE2-CB 4.2Å; L101-L105 WeakPolarHBondContact O-CB 3.27Å; L101-L105 PolarHBondContact O-N 2.87Å; F102-L105 PolarHBondContact O-N 2.88Å; L105-G107 VanDerWaalsContact C-N 3.33Å; L105-G107 PolarHBondContact O-N 3.36Å; L105-M108 HydrophobicContact CD1-CE 4.24Å; L105-M108 PolarHBondContact O-N 3.5Å; L105-C109 WeakPolarHBondContact O-CB 3.24Å; L105-C109 PolarHBondContact O-N 3.21Å; L105-C109 PolarHBondContact O-SG 3.41Å |
| 106 | I | 83.2 | Confident | 76.5 | Confident | 84 Ų | 84 | 57.1 Ų | 57.1 | 43% | 0.431 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.5 | -67.1 | 163.9 | 0 | 0 | 0 | 110.7 | F102 L103 M108 C109 N110 | F102-I106 VanDerWaalsContact O-CG1 3.27Å; F102-I106 WeakPolarHBondContact O-CG1 3.27Å; F102-I106 PolarHBondContact O-N 3.3Å; L103-I106 PolarHBondContact O-N 2.93Å; I106-M108 VanDerWaalsContact C-N 3.33Å; I106-M108 PolarHBondContact O-N 2.88Å; I106-C109 PolarHBondContact O-N 2.93Å; I106-N110 PolarHBondContact O-N 3.14Å; I106-N110 PolarHBondContact O-ND2 3.36Å |
| 107 | G | 78.1 | Confident | 74 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L103 C104 L105 S129 H133 | L103-G107 PolarHBondContact O-N 3.34Å; C104-G107 PolarHBondContact O-N 2.67Å; L105-G107 VanDerWaalsContact C-N 3.33Å; L105-G107 PolarHBondContact O-N 3.36Å; G107-S129 PolarHBondContact O-OG 3.25Å; G107-H133 VanDerWaalsContact C-NE2 3.28Å; G107-H133 WeakPolarHBondContact CA-NE2 3.44Å |
| 108 | M | 77.6 | Confident | 71.5 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.5 | -42.6 | 176.2 | -70 | -172.3 | -59.9 | 0 | 0 | 112.7 | V11 F14 C104 L105 I106 N110 T111 A112 | V11-M108 HydrophobicContact CG2-SD 4.18Å; F14-M108 HydrophobicContact CB-CE 3.62Å; F14-M108 HydrophobicContact CB-SD 4.04Å; F14-M108 HydrophobicContact CD1-CE 3.94Å; F14-M108 HydrophobicContact CD2-CE 3.55Å; F14-M108 HydrophobicContact CE2-CE 4.17Å; F14-M108 HydrophobicContact CG-CE 3.41Å; F14-M108 VanDerWaalsContact CG-CE 3.41Å; F14-M108 HydrophobicContact CG-SD 4.46Å; C104-M108 WeakPolarHBondContact O-CG 3.46Å; C104-M108 PolarHBondContact O-N 3.48Å; L105-M108 HydrophobicContact CD1-CE 4.24Å; L105-M108 PolarHBondContact O-N 3.5Å; I106-M108 VanDerWaalsContact C-N 3.33Å; I106-M108 PolarHBondContact O-N 2.88Å; M108-N110 PolarHBondContact O-N 2.96Å; M108-T111 CarbonylContact O-C 3.59Å; M108-T111 WeakPolarHBondContact O-CA 3.47Å; M108-T111 PolarHBondContact O-N 2.87Å; M108-T111 PolarHBondContact O-OG1 3.25Å; M108-A112 PolarHBondContact O-N 2.89Å |
| 109 | C | 67.3 | Low | 68.9 | Low | 47 Ų | 47 | 69.1 Ų | 69.1 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.4 | -33.5 | 179.8 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | L105 I106 T111 F113 | L105-C109 WeakPolarHBondContact O-CB 3.24Å; L105-C109 PolarHBondContact O-N 3.21Å; L105-C109 PolarHBondContact O-SG 3.41Å; I106-C109 PolarHBondContact O-N 2.93Å; C109-T111 PolarHBondContact O-N 3.44Å; C109-F113 HydrophobicContact CB-CD2 4.31Å |
| 110 | N | 57.7 | Low | 66.6 | Low | 60 Ų | 60 | 73.1 Ų | 73.1 | 32% | 0.321 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65 | -13.4 | 172.1 | -71 | -18.3 | 0 | 0 | 0 | 113.9 | I106 M108 C125 | I106-N110 PolarHBondContact O-N 3.14Å; I106-N110 PolarHBondContact O-ND2 3.36Å; M108-N110 PolarHBondContact O-N 2.96Å; N110-C125 PolarHBondContact OD1-SG 3.36Å; N110-C125 VanDerWaalsContact OD1-SG 3.4Å |
| 111 | T | 53.9 | Low | 64 | Low | 52 Ų | 52 | 82.3 Ų | 82.3 | 32% | 0.319 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -119.1 | -27 | -174.4 | 63.3 | 0 | 0 | 0 | 0 | 115.2 | M108 C109 | M108-T111 CarbonylContact O-C 3.59Å; M108-T111 WeakPolarHBondContact O-CA 3.47Å; M108-T111 PolarHBondContact O-N 2.87Å; M108-T111 PolarHBondContact O-OG1 3.25Å; C109-T111 PolarHBondContact O-N 3.44Å |
| 112 | A | 50.6 | Low | 61.4 | Low | 69 Ų | 69 | 89.2 Ų | 89.2 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -105.2 | -24.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | M108 | M108-A112 PolarHBondContact O-N 2.89Å |
| 113 | F | 45.2 | Very low | 59 | Low | 166 Ų | 166 | 86 Ų | 86 | 73% | 0.728 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -102.1 | 9.2 | -169.9 | -73.1 | -70.8 | 0 | 0 | 0 | 115.6 | C109 | C109-F113 HydrophobicContact CB-CD2 4.31Š|
| 114 | V | 48.4 | Very low | 56.7 | Low | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | trans | -121.3 | 97.2 | -174.1 | -177.1 | 0 | 0 | 0 | 0 | 110 | S116 P118 | V114-S116 WeakPolarHBondContact CG1-O 3.4Å; V114-P118 HydrophobicContact CG1-CB 4.15Å; V114-P118 HydrophobicContact CG1-CG 4.07Å | ||
| 115 | S | 46.3 | Very low | 54.6 | Low | 132 Ų | 132 | 95.8 Ų | 95.8 | 92% | 0.923 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -81.3 | -13.8 | 175.5 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 116 | S | 51 | Low | 52.7 | Low | 85 Ų | 85 | 100.7 Ų | 100.7 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -120 | 131.6 | 176.8 | 59.4 | 0 | 0 | 0 | 0 | 110.1 | V114 P118 | V114-S116 WeakPolarHBondContact CG1-O 3.4Å; S116-P118 WeakPolarHBondContact O-CD 3.43Å |
| 117 | V | 47 | Very low | 51.4 | Low | 134 Ų | 134 | 100.7 Ų | 100.7 | 81% | 0.812 | 57% | 0.569 | S | S | * | * | trans | -45.5 | 113.7 | -179.3 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | N119 | V117-N119 PolarHBondContact O-N 2.91Š| ||
| 118 | P | 45.6 | Very low | 51.2 | Low | 64 Ų | 64 | 106.2 Ų | 106.2 | 42% | 0.416 | 60% | 0.599 | S | S | . | * | trans | -63.9 | 128.1 | -174.6 | 21.7 | -26.9 | 0 | 0 | 0 | 107.6 | V114 S116 I120 A123 | V114-P118 HydrophobicContact CG1-CB 4.15Å; V114-P118 HydrophobicContact CG1-CG 4.07Å; S116-P118 WeakPolarHBondContact O-CD 3.43Å; P118-I120 PolarHBondContact O-N 2.86Å; P118-A123 HydrophobicContact CB-CB 3.95Å | ||
| 119 | N | 42.6 | Very low | 51.2 | Low | 130 Ų | 130 | 106.1 Ų | 106.1 | 70% | 0.695 | 60% | 0.6 | S | S | * | * | trans | -54.1 | 115.5 | 177.6 | -153 | -26.8 | 0 | 0 | 0 | 107.4 | V117 K121 L122 | V117-N119 PolarHBondContact O-N 2.91Å; N119-K121 PolarHBondContact O-N 3.47Å; N119-L122 PolarHBondContact O-N 2.84Å | ||
| 120 | I | 49.7 | Very low | 51.8 | Low | 144 Ų | 144 | 104.6 Ų | 104.6 | 74% | 0.738 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -6.3 | -160.3 | -49.4 | 160.1 | 0 | 0 | 0 | 112.3 | P118 | P118-I120 PolarHBondContact O-N 2.86Š|
| 121 | K | 42 | Very low | 53 | Low | 194 Ų | 194 | 102.9 Ų | 102.9 | 84% | 0.843 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -19.4 | 178.7 | -65 | -171.9 | 177.4 | -176.8 | 0 | 115.2 | N119 | N119-K121 PolarHBondContact O-N 3.47Š|
| 122 | L | 42.1 | Very low | 54.5 | Low | 165 Ų | 165 | 100.7 Ų | 100.7 | 86% | 0.864 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -27.3 | -170.8 | -157.1 | 69.3 | 0 | 0 | 0 | 114.8 | N119 | N119-L122 PolarHBondContact O-N 2.84Š|
| 123 | A | 42.6 | Very low | 56.3 | Low | 62 Ų | 62 | 97.4 Ų | 97.4 | 51% | 0.512 | 55% | 0.547 | S | S | . | . | trans | -107.4 | 44.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P118 C125 | P118-A123 HydrophobicContact CB-CB 3.95Å; A123-C125 PolarHBondContact O-N 3.09Å | ||
| 124 | K | 43.3 | Very low | 58.5 | Low | 172 Ų | 172 | 91.9 Ų | 91.9 | 75% | 0.748 | 52% | 0.524 | S | S | * | . | trans | -72.7 | 73.2 | 161.2 | -78.9 | -175 | 177.3 | 179.4 | 0 | 108.3 | L126 | K124-L126 VanDerWaalsContact C-N 3.35Å; K124-L126 PolarHBondContact O-N 3.3Å | ||
| 125 | C | 44.3 | Very low | 60.7 | Low | 79 Ų | 79 | 91.4 Ų | 91.4 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | trans | -56.8 | 109.4 | 151.7 | -74.3 | 0 | 0 | 0 | 0 | 105.5 | N110 A123 V127 | N110-C125 PolarHBondContact OD1-SG 3.36Å; N110-C125 VanDerWaalsContact OD1-SG 3.4Å; A123-C125 PolarHBondContact O-N 3.09Å; C125-V127 PolarHBondContact O-N 3.39Å | ||
| 126 | L | 48.6 | Very low | 63 | Low | 176 Ų | 176 | 85.1 Ų | 85.1 | 92% | 0.921 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -55.6 | -10.9 | -173.5 | -97 | 136.5 | 0 | 0 | 0 | 114.2 | K124 | K124-L126 VanDerWaalsContact C-N 3.35Å; K124-L126 PolarHBondContact O-N 3.3Å |
| 127 | V | 56.7 | Low | 65.2 | Low | 83 Ų | 83 | 81 Ų | 81 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -119.2 | 123.8 | -171.3 | -165.3 | 0 | 0 | 0 | 0 | 111 | C125 S129 C132 | C125-V127 PolarHBondContact O-N 3.39Å; V127-S129 PolarHBondContact O-N 2.95Å; V127-C132 WeakPolarHBondContact CG1-SG 3.44Å |
| 128 | N | 73.7 | Confident | 67.6 | Low | 117 Ų | 117 | 79.1 Ų | 79.1 | 63% | 0.626 | 43% | 0.434 | S | S | * | . | trans | -59.1 | 127.5 | 172.9 | 178.2 | 11.1 | 0 | 0 | 0 | 110.6 | A130 G131 C132 | N128-A130 PolarHBondContact O-N 2.91Å; N128-A130 PolarHBondContact OD1-N 3.3Å; N128-G131 WeakPolarHBondContact O-CA 3.49Å; N128-G131 PolarHBondContact O-N 3.23Å; N128-C132 PolarHBondContact O-N 2.67Å | ||
| 129 | S | 77 | Confident | 70.1 | Confident | 18 Ų | 18 | 78.3 Ų | 78.3 | 13% | 0.126 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -50.9 | -41.8 | 178.4 | 170 | 0 | 0 | 0 | 0 | 112.2 | G107 V127 G131 C132 H133 | G107-S129 PolarHBondContact O-OG 3.25Å; V127-S129 PolarHBondContact O-N 2.95Å; S129-G131 VanDerWaalsContact C-N 3.28Å; S129-G131 PolarHBondContact O-N 3.06Å; S129-C132 WeakPolarHBondContact O-CB 3.49Å; S129-C132 PolarHBondContact O-N 3.01Å; S129-C132 VanDerWaalsContact O-N 3.17Å; S129-H133 PolarHBondContact O-CD2 2.89Å; S129-H133 VanDerWaalsContact O-CD2 3.27Å; S129-H133 PolarHBondContact O-N 3.44Å; S129-H133 VanDerWaalsContact O-N 3.12Å |
| 130 | A | 80.3 | Confident | 72.8 | Confident | 15 Ų | 15 | 72.1 Ų | 72.1 | 12% | 0.124 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N128 L134 W195 Y196 | N128-A130 PolarHBondContact O-N 2.91Å; N128-A130 PolarHBondContact OD1-N 3.3Å; A130-L134 WeakPolarHBondContact O-CB 3.39Å; A130-L134 PolarHBondContact O-N 3.44Å; A130-L134 VanDerWaalsContact O-N 3.1Å; A130-W195 HydrophobicContact CB-CH2 4.29Å; A130-W195 HydrophobicContact CB-CZ3 4.17Å; A130-Y196 HydrophobicContact CB-CD2 4.13Å; A130-Y196 HydrophobicContact CB-CE2 4.17Å; A130-Y196 WeakPolarHBondContact O-CD2 3.36Å |
| 131 | G | 82.1 | Confident | 75.1 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 25% | 0.247 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N128 S129 H133 L134 V135 | N128-G131 WeakPolarHBondContact O-CA 3.49Å; N128-G131 PolarHBondContact O-N 3.23Å; S129-G131 VanDerWaalsContact C-N 3.28Å; S129-G131 PolarHBondContact O-N 3.06Å; G131-H133 PolarHBondContact O-N 3.42Å; G131-L134 PolarHBondContact O-N 2.84Å; G131-V135 WeakPolarHBondContact O-CG2 3.49Å; G131-V135 PolarHBondContact O-N 3.36Å |
| 132 | C | 85.1 | Confident | 77.8 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 176.2 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | V127 N128 S129 V135 A136 | V127-C132 WeakPolarHBondContact CG1-SG 3.44Å; N128-C132 PolarHBondContact O-N 2.67Å; S129-C132 WeakPolarHBondContact O-CB 3.49Å; S129-C132 PolarHBondContact O-N 3.01Å; S129-C132 VanDerWaalsContact O-N 3.17Å; C132-V135 PolarHBondContact O-N 2.9Å; C132-A136 VanDerWaalsContact O-CB 3.28Å; C132-A136 WeakPolarHBondContact O-CB 3.41Å; C132-A136 PolarHBondContact O-N 3.22Å |
| 133 | H | 88.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.5 | -34.5 | -180 | -73.4 | -59.8 | 0 | 0 | 0 | 113 | C104 G107 S129 G131 G137 L192 W195 | C104-H133 PolarHBondContact O-CE1 3.42Å; G107-H133 VanDerWaalsContact C-NE2 3.28Å; G107-H133 WeakPolarHBondContact CA-NE2 3.44Å; S129-H133 PolarHBondContact O-CD2 2.89Å; S129-H133 VanDerWaalsContact O-CD2 3.27Å; S129-H133 PolarHBondContact O-N 3.44Å; S129-H133 VanDerWaalsContact O-N 3.12Å; G131-H133 PolarHBondContact O-N 3.42Å; H133-G137 PolarHBondContact O-N 2.97Å; H133-L192 HydrophobicContact CB-CD2 4.14Å; H133-W195 HydrophobicContact CB-CE3 3.89Å; H133-W195 HydrophobicContact CB-CH2 4.43Å; H133-W195 HydrophobicContact CB-CZ3 3.6Å; H133-W195 AromaticContact CD2-CH2 3.57Å; H133-W195 AromaticContact CD2-CZ3 3.64Å; H133-W195 AromaticContact CG-CZ3 3.88Å |
| 134 | L | 91.6 | Very high | 83.2 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -49.1 | 173.4 | 179.3 | 65.3 | 0 | 0 | 0 | 111.4 | A130 G131 A136 G137 L138 F193 Y196 | A130-L134 WeakPolarHBondContact O-CB 3.39Å; A130-L134 PolarHBondContact O-N 3.44Å; A130-L134 VanDerWaalsContact O-N 3.1Å; G131-L134 PolarHBondContact O-N 2.84Å; L134-A136 VanDerWaalsContact C-N 3.35Å; L134-G137 PolarHBondContact O-N 2.95Å; L134-L138 PolarHBondContact O-N 3.28Å; L134-F193 HydrophobicContact CD1-CD1 4.05Å; L134-F193 HydrophobicContact CD1-CE1 4.14Å; L134-Y196 HydrophobicContact CB-CD2 3.95Å; L134-Y196 HydrophobicContact CB-CE2 4.16Å; L134-Y196 HydrophobicContact CB-CG 4.39Å; L134-Y196 HydrophobicContact CD1-CD1 4.14Å; L134-Y196 HydrophobicContact CD1-CE1 4.41Å; L134-Y196 HydrophobicContact CD1-CG 4.21Å; L134-Y196 HydrophobicContact CD2-CD2 4.5Å; L134-Y196 HydrophobicContact CD2-CE1 4.27Å; L134-Y196 HydrophobicContact CD2-CE2 4.02Å |
| 135 | V | 93.6 | Very high | 85.8 | Confident | 70 Ų | 70 | 47.4 Ų | 47.4 | 42% | 0.424 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 178.3 | 178 | 0 | 0 | 0 | 0 | 110.6 | L103 G131 C132 G137 L138 L139 | L103-V135 HydrophobicContact CD1-CB 4.2Å; L103-V135 HydrophobicContact CD1-CG1 3.65Å; G131-V135 WeakPolarHBondContact O-CG2 3.49Å; G131-V135 PolarHBondContact O-N 3.36Å; C132-V135 PolarHBondContact O-N 2.9Å; V135-G137 VanDerWaalsContact C-N 3.33Å; V135-G137 PolarHBondContact O-N 2.86Å; V135-L138 PolarHBondContact O-N 2.99Å; V135-L139 HydrophobicContact CG1-CD1 4.44Å; V135-L139 WeakPolarHBondContact O-CG 3.39Å; V135-L139 PolarHBondContact O-N 3.19Å |
| 136 | A | 95.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | A100 L103 C104 C132 L134 L138 L139 F140 L192 | A100-A136 HydrophobicContact CB-CB 4.45Å; L103-A136 HydrophobicContact CB-CB 3.92Å; C104-A136 WeakPolarHBondContact SG-CB 3.31Å; C132-A136 VanDerWaalsContact O-CB 3.28Å; C132-A136 WeakPolarHBondContact O-CB 3.41Å; C132-A136 PolarHBondContact O-N 3.22Å; L134-A136 VanDerWaalsContact C-N 3.35Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.22Å; A136-L139 PolarHBondContact O-N 2.96Å; A136-F140 HydrophobicContact CB-CE2 4.49Å; A136-F140 WeakPolarHBondContact O-CD2 3.26Å; A136-F140 PolarHBondContact O-N 3.43Å; A136-L192 HydrophobicContact CB-CD1 4.13Å |
| 137 | G | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H133 L134 V135 F140 L141 S189 F193 | H133-G137 PolarHBondContact O-N 2.97Å; L134-G137 PolarHBondContact O-N 2.95Å; V135-G137 VanDerWaalsContact C-N 3.33Å; V135-G137 PolarHBondContact O-N 2.86Å; G137-F140 PolarHBondContact O-N 3.21Å; G137-L141 PolarHBondContact O-N 3.11Å; G137-S189 WeakPolarHBondContact O-CB 3.24Å; G137-S189 PolarHBondContact O-OG 3.33Å; G137-F193 VanDerWaalsContact C-CZ 3.5Å |
| 138 | L | 98.1 | Very high | 92.6 | Very high | 94 Ų | 94 | 34.8 Ų | 34.8 | 49% | 0.492 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.4 | -70 | 170.4 | 0 | 0 | 0 | 112.3 | L134 V135 A136 L141 L142 F193 | L134-L138 PolarHBondContact O-N 3.28Å; V135-L138 PolarHBondContact O-N 2.99Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.22Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.44Å; L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L142 PolarHBondContact O-N 2.98Å; L138-F193 HydrophobicContact CD2-CE1 4.22Å; L138-F193 HydrophobicContact CD2-CZ 3.91Å; L138-F193 HydrophobicContact CG-CE1 4.14Å; L138-F193 HydrophobicContact CG-CZ 4.22Å |
| 139 | L | 98.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 33.5 Ų | 33.5 | 24% | 0.241 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -38.3 | 177.1 | -70 | -179.8 | 0 | 0 | 0 | 112.3 | A100 L103 V135 A136 L141 L142 A143 | A100-L139 HydrophobicContact CB-CB 3.69Å; A100-L139 HydrophobicContact CB-CD1 4.41Å; L103-L139 HydrophobicContact CD1-CD1 3.75Å; V135-L139 HydrophobicContact CG1-CD1 4.44Å; V135-L139 WeakPolarHBondContact O-CG 3.39Å; V135-L139 PolarHBondContact O-N 3.19Å; A136-L139 PolarHBondContact O-N 2.96Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L139-L142 PolarHBondContact O-N 3.36Å; L139-A143 WeakPolarHBondContact O-CB 3.39Å; L139-A143 PolarHBondContact O-N 3.48Å |
| 140 | F | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 172.5 | -77.1 | -56 | 0 | 0 | 0 | 112.4 | A97 A100 L101 A136 G137 A143 C144 L185 T188 L192 | A97-F140 HydrophobicContact CB-CD1 4.3Å; A97-F140 HydrophobicContact CB-CE1 4.23Å; A100-F140 HydrophobicContact CB-CD1 3.83Å; A100-F140 HydrophobicContact CB-CD2 3.77Å; A100-F140 HydrophobicContact CB-CE1 3.71Å; A100-F140 HydrophobicContact CB-CE2 3.63Å; A100-F140 HydrophobicContact CB-CG 3.86Å; A100-F140 HydrophobicContact CB-CZ 3.61Å; L101-F140 HydrophobicContact CD2-CE1 4.44Å; L101-F140 HydrophobicContact CD2-CZ 3.82Å; L101-F140 HydrophobicContact CG-CE1 4.17Å; L101-F140 HydrophobicContact CG-CZ 3.84Å; A136-F140 HydrophobicContact CB-CE2 4.49Å; A136-F140 WeakPolarHBondContact O-CD2 3.26Å; A136-F140 PolarHBondContact O-N 3.43Å; G137-F140 PolarHBondContact O-N 3.21Å; F140-A143 PolarHBondContact O-N 3.35Å; F140-C144 WeakPolarHBondContact O-CB 3.34Å; F140-C144 PolarHBondContact O-N 2.92Å; F140-L185 HydrophobicContact CD1-CD2 3.67Å; F140-L185 HydrophobicContact CE1-CD2 4.04Å; F140-T188 HydrophobicContact CD1-CG2 4.41Å; F140-T188 HydrophobicContact CD2-CG2 3.57Å; F140-T188 HydrophobicContact CE1-CG2 4.39Å; F140-T188 HydrophobicContact CE2-CG2 3.55Å; F140-T188 HydrophobicContact CG-CG2 4.02Å; F140-T188 HydrophobicContact CZ-CG2 3.98Å; F140-L192 HydrophobicContact CD2-CD1 3.76Å; F140-L192 HydrophobicContact CE2-CD1 3.94Å |
| 141 | L | 98.6 | Very high | 95.4 | Very high | 66 Ų | 66 | 32.3 Ų | 32.3 | 35% | 0.346 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 174.8 | -173.9 | 61.2 | 0 | 0 | 0 | 111.4 | G137 L138 L139 C144 A145 F186 S189 F193 | G137-L141 PolarHBondContact O-N 3.11Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 PolarHBondContact O-N 3.44Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L141-C144 WeakPolarHBondContact O-CB 3.32Å; L141-C144 PolarHBondContact O-N 3.42Å; L141-A145 PolarHBondContact O-N 2.97Å; L141-F186 HydrophobicContact CD1-CD2 3.65Å; L141-F186 HydrophobicContact CD1-CE2 3.8Å; L141-S189 WeakPolarHBondContact CB-OG 3.36Å; L141-F193 HydrophobicContact CD2-CE2 4.28Å |
| 142 | L | 98.5 | Very high | 96.1 | Very high | 87 Ų | 87 | 34.3 Ų | 34.3 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 175.7 | 178.2 | 62.3 | 0 | 0 | 0 | 111.2 | L138 L139 C144 A145 I146 | L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L142 PolarHBondContact O-N 2.98Å; L139-L142 PolarHBondContact O-N 3.36Å; L142-C144 VanDerWaalsContact C-N 3.31Å; L142-C144 PolarHBondContact O-N 3.43Å; L142-A145 PolarHBondContact O-N 3.3Å; L142-A145 VanDerWaalsContact O-N 3.15Å; L142-I146 HydrophobicContact CD1-CD1 3.99Å; L142-I146 HydrophobicContact CD1-CG1 4.23Å; L142-I146 HydrophobicContact CG-CD1 3.82Å; L142-I146 HydrophobicContact CG-CG1 4.47Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.35Å; L142-I146 PolarHBondContact O-N 2.92Å |
| 143 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.5 | -47.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | S93 T96 A97 L139 F140 A145 I146 C147 L185 | S93-A143 PolarHBondContact OG-O 2.95Å; T96-A143 VanDerWaalsContact OG1-CB 3.28Å; T96-A143 WeakPolarHBondContact OG1-CB 3.04Å; A97-A143 HydrophobicContact CB-CB 4.01Å; L139-A143 WeakPolarHBondContact O-CB 3.39Å; L139-A143 PolarHBondContact O-N 3.48Å; F140-A143 PolarHBondContact O-N 3.35Å; A143-A145 PolarHBondContact O-N 3.46Å; A143-I146 PolarHBondContact O-N 3.22Å; A143-C147 PolarHBondContact O-N 3.43Å; A143-C147 VanDerWaalsContact O-N 3.07Å; A143-C147 PolarHBondContact O-SG 3.35Å; A143-L185 HydrophobicContact CB-CD1 3.91Å |
| 144 | C | 98.5 | Very high | 97 | Very high | 13 Ų | 13 | 39 Ų | 39 | 9% | 0.088 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.2 | -51.5 | 174.2 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | F140 L141 L142 I146 C147 V148 A182 L185 F186 | F140-C144 WeakPolarHBondContact O-CB 3.34Å; F140-C144 PolarHBondContact O-N 2.92Å; L141-C144 WeakPolarHBondContact O-CB 3.32Å; L141-C144 PolarHBondContact O-N 3.42Å; L142-C144 VanDerWaalsContact C-N 3.31Å; L142-C144 PolarHBondContact O-N 3.43Å; C144-I146 VanDerWaalsContact C-N 3.29Å; C144-I146 PolarHBondContact O-N 2.97Å; C144-C147 PolarHBondContact O-N 3.35Å; C144-C147 PolarHBondContact O-SG 2.98Å; C144-V148 VanDerWaalsContact O-CB 3.24Å; C144-V148 WeakPolarHBondContact O-CB 3.28Å; C144-V148 WeakPolarHBondContact O-CG1 3.37Å; C144-V148 PolarHBondContact O-N 2.72Å; C144-A182 PolarHBondContact SG-O 3.27Å; C144-A182 VanDerWaalsContact SG-O 3.34Å; C144-L185 HydrophobicContact CB-CB 4.06Å; C144-F186 HydrophobicContact CB-CB 4.45Å |
| 145 | A | 98 | Very high | 97.2 | Very high | 52 Ų | 52 | 39.1 Ų | 39.1 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.7 | -39.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L141 L142 A143 T149 | L141-A145 PolarHBondContact O-N 2.97Å; L142-A145 PolarHBondContact O-N 3.3Å; L142-A145 VanDerWaalsContact O-N 3.15Å; A143-A145 PolarHBondContact O-N 3.46Å; A145-T149 PolarHBondContact O-OG1 3.4Å |
| 146 | I | 98 | Very high | 97.2 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 20% | 0.195 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 178.5 | -67.9 | 167.1 | 0 | 0 | 0 | 111.2 | A89 L92 L142 A143 C144 P150 | A89-I146 HydrophobicContact CB-CG2 3.97Å; A89-I146 VanDerWaalsContact O-CG2 3.27Å; A89-I146 WeakPolarHBondContact O-CG2 3.36Å; L92-I146 HydrophobicContact CB-CG2 4.47Å; L92-I146 HydrophobicContact CD2-CD1 4.12Å; L92-I146 HydrophobicContact CD2-CG2 4.29Å; L92-I146 HydrophobicContact CG-CD1 4.2Å; L92-I146 HydrophobicContact CG-CG2 4.46Å; L142-I146 HydrophobicContact CD1-CD1 3.99Å; L142-I146 HydrophobicContact CD1-CG1 4.23Å; L142-I146 HydrophobicContact CG-CD1 3.82Å; L142-I146 HydrophobicContact CG-CG1 4.47Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.35Å; L142-I146 PolarHBondContact O-N 2.92Å; A143-I146 PolarHBondContact O-N 3.22Å; C144-I146 VanDerWaalsContact C-N 3.29Å; C144-I146 PolarHBondContact O-N 2.97Å; I146-P150 WeakPolarHBondContact O-CD 3.5Å; I146-P150 VanDerWaalsContact O-CG 3.31Å; I146-P150 WeakPolarHBondContact O-CG 3.49Å |
| 147 | C | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -85.9 | -33.3 | -175.6 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | L24 L90 S93 A143 C144 P150 S151 | L24-C147 HydrophobicContact CD2-CB 4.2Å; L90-C147 HydrophobicContact CD2-CB 3.73Å; S93-C147 WeakPolarHBondContact OG-CB 3.34Å; S93-C147 PolarHBondContact OG-SG 2.85Å; A143-C147 PolarHBondContact O-N 3.43Å; A143-C147 VanDerWaalsContact O-N 3.07Å; A143-C147 PolarHBondContact O-SG 3.35Å; C144-C147 PolarHBondContact O-N 3.35Å; C144-C147 PolarHBondContact O-SG 2.98Å; C147-P150 WeakPolarHBondContact O-CD 3.4Å; C147-S151 VanDerWaalsContact O-CB 3.3Å; C147-S151 WeakPolarHBondContact O-CB 3.34Å; C147-S151 PolarHBondContact O-N 2.93Å; C147-S151 PolarHBondContact O-OG 3.16Å |
| 148 | V | 97.7 | Very high | 97.1 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 21% | 0.212 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.9 | -41.6 | -173.8 | 76.1 | 0 | 0 | 0 | 0 | 111.9 | C144 S151 I152 A182 | C144-V148 VanDerWaalsContact O-CB 3.24Å; C144-V148 WeakPolarHBondContact O-CB 3.28Å; C144-V148 WeakPolarHBondContact O-CG1 3.37Å; C144-V148 PolarHBondContact O-N 2.72Å; V148-S151 PolarHBondContact O-N 3.13Å; V148-I152 HydrophobicContact CG2-CD1 3.73Å; V148-I152 HydrophobicContact CG2-CG1 4.26Å; V148-I152 WeakPolarHBondContact O-CB 3.36Å; V148-I152 WeakPolarHBondContact O-CG1 3.27Å; V148-I152 PolarHBondContact O-N 2.96Å; V148-A182 HydrophobicContact CB-CB 3.86Å; V148-A182 HydrophobicContact CG2-CB 4.09Å |
| 149 | T | 96.4 | Very high | 96.9 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -59.2 | -56.3 | -175.8 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | A145 S151 I152 W153 | A145-T149 PolarHBondContact O-OG1 3.4Å; T149-S151 VanDerWaalsContact C-N 3.33Å; T149-S151 PolarHBondContact O-N 3.24Å; T149-I152 PolarHBondContact O-N 2.9Å; T149-W153 PolarHBondContact O-N 2.72Å |
| 150 | P | 96.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.7 | -29.1 | 177.6 | 28.7 | -35.9 | 0 | 0 | 0 | 113.1 | V85 L86 A89 I146 C147 W153 V154 | V85-P150 HydrophobicContact CG1-CB 3.77Å; V85-P150 HydrophobicContact CG1-CG 4.36Å; L86-P150 HydrophobicContact CD2-CB 3.83Å; L86-P150 HydrophobicContact CD2-CG 3.96Å; L86-P150 HydrophobicContact CG-CB 4.04Å; A89-P150 HydrophobicContact CB-CG 3.76Å; I146-P150 WeakPolarHBondContact O-CD 3.5Å; I146-P150 VanDerWaalsContact O-CG 3.31Å; I146-P150 WeakPolarHBondContact O-CG 3.49Å; C147-P150 WeakPolarHBondContact O-CD 3.4Å; P150-W153 PolarHBondContact O-N 3.45Å; P150-V154 PolarHBondContact O-N 3.1Å |
| 151 | S | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 177 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | C147 V148 T149 | C147-S151 VanDerWaalsContact O-CB 3.3Å; C147-S151 WeakPolarHBondContact O-CB 3.34Å; C147-S151 PolarHBondContact O-N 2.93Å; C147-S151 PolarHBondContact O-OG 3.16Å; V148-S151 PolarHBondContact O-N 3.13Å; T149-S151 VanDerWaalsContact C-N 3.33Å; T149-S151 PolarHBondContact O-N 3.24Å |
| 152 | I | 97 | Very high | 96.3 | Very high | 66 Ų | 66 | 47 Ų | 47 | 34% | 0.338 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.2 | -38.5 | 174.1 | -70.1 | 175.9 | 0 | 0 | 0 | 110.7 | V148 T149 V154 I155 F156 I179 | V148-I152 HydrophobicContact CG2-CD1 3.73Å; V148-I152 HydrophobicContact CG2-CG1 4.26Å; V148-I152 WeakPolarHBondContact O-CB 3.36Å; V148-I152 WeakPolarHBondContact O-CG1 3.27Å; V148-I152 PolarHBondContact O-N 2.96Å; T149-I152 PolarHBondContact O-N 2.9Å; I152-V154 VanDerWaalsContact C-N 3.28Å; I152-V154 PolarHBondContact O-N 3.44Å; I152-I155 WeakPolarHBondContact O-CB 3.05Å; I152-I155 PolarHBondContact O-N 3.28Å; I152-I155 VanDerWaalsContact O-N 3.08Å; I152-F156 HydrophobicContact CG2-CD2 3.84Å; I152-F156 HydrophobicContact CG2-CE2 3.38Å; I152-F156 HydrophobicContact CG2-CZ 4.42Å; I152-F156 WeakPolarHBondContact O-CD2 3.5Å; I152-F156 PolarHBondContact O-N 2.89Å; I152-I179 HydrophobicContact CG1-CD1 4.16Å; I152-I179 HydrophobicContact CG1-CG1 4.42Å |
| 153 | W | 96.5 | Very high | 96.1 | Very high | 105 Ų | 105 | 52.3 Ų | 52.3 | 40% | 0.398 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.4 | -40.2 | 178.9 | -174 | 2 | 0 | 0 | 0 | 111.9 | L81 T149 P150 I155 F156 Y157 | L81-W153 HydrophobicContact CD2-CH2 3.96Å; L81-W153 HydrophobicContact CD2-CZ2 4.43Å; L81-W153 HydrophobicContact CG-CH2 4.46Å; T149-W153 PolarHBondContact O-N 2.72Å; P150-W153 PolarHBondContact O-N 3.45Å; W153-I155 PolarHBondContact O-N 3.29Å; W153-I155 VanDerWaalsContact O-N 3.11Å; W153-F156 PolarHBondContact O-N 2.87Å; W153-Y157 WeakPolarHBondContact O-CB 3.36Å; W153-Y157 PolarHBondContact O-N 3.25Å |
| 154 | V | 95.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -53.1 | -37.4 | 176.4 | 169.5 | 0 | 0 | 0 | 0 | 112.9 | W33 D82 L86 P150 I152 Y157 N158 V175 | W33-V154 HydrophobicContact CE3-CG2 4.42Å; D82-V154 HydrophobicContact CB-CG2 4.3Å; L86-V154 HydrophobicContact CD1-CG2 3.34Å; P150-V154 PolarHBondContact O-N 3.1Å; I152-V154 VanDerWaalsContact C-N 3.28Å; I152-V154 PolarHBondContact O-N 3.44Å; V154-Y157 PolarHBondContact O-N 3.01Å; V154-N158 WeakPolarHBondContact O-CB 3.44Å; V154-N158 VanDerWaalsContact O-CG 3.27Å; V154-N158 PolarHBondContact O-N 3.41Å; V154-N158 PolarHBondContact O-ND2 3.25Å; V154-V175 HydrophobicContact CG1-CG2 4.04Å |
| 155 | I | 95.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 63.9 Ų | 63.9 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.7 | -49.9 | 178.1 | -58.6 | 174.2 | 0 | 0 | 0 | 110.3 | I152 W153 N158 N159 F171 V175 I179 | I152-I155 WeakPolarHBondContact O-CB 3.05Å; I152-I155 PolarHBondContact O-N 3.28Å; I152-I155 VanDerWaalsContact O-N 3.08Å; W153-I155 PolarHBondContact O-N 3.29Å; W153-I155 VanDerWaalsContact O-N 3.11Å; I155-N158 PolarHBondContact O-N 2.87Å; I155-N159 PolarHBondContact O-N 3.46Å; I155-F171 HydrophobicContact CG1-CD1 4.42Å; I155-F171 HydrophobicContact CG2-CD1 4.36Å; I155-F171 HydrophobicContact CG2-CE1 3.88Å; I155-F171 HydrophobicContact CG2-CZ 4.32Å; I155-V175 HydrophobicContact CD1-CG1 3.98Å; I155-V175 HydrophobicContact CG1-CG1 3.85Å; I155-I179 HydrophobicContact CD1-CD1 3.8Å |
| 156 | F | 95.3 | Very high | 95 | Very high | 137 Ų | 137 | 67.8 Ų | 67.8 | 60% | 0.601 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.5 | -38.8 | 179.5 | -67.3 | -62.6 | 0 | 0 | 0 | 112.2 | I152 W153 N159 Y160 | I152-F156 HydrophobicContact CG2-CD2 3.84Å; I152-F156 HydrophobicContact CG2-CE2 3.38Å; I152-F156 HydrophobicContact CG2-CZ 4.42Å; I152-F156 WeakPolarHBondContact O-CD2 3.5Å; I152-F156 PolarHBondContact O-N 2.89Å; W153-F156 PolarHBondContact O-N 2.87Å; F156-N159 WeakPolarHBondContact O-CB 3.38Å; F156-N159 PolarHBondContact O-N 3.43Å; F156-Y160 PolarHBondContact O-N 2.99Å |
| 157 | Y | 94.6 | Very high | 94.6 | Very high | 64 Ų | 64 | 71.5 Ų | 71.5 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69 | -35.8 | 179 | -166.7 | -113.9 | 0 | 0 | 0 | 111.8 | D82 W153 V154 N159 Y160 L161 | D82-Y157 HydrophobicContact CB-CD1 4.12Å; D82-Y157 HydrophobicContact CB-CG 4.47Å; D82-Y157 VanDerWaalsContact CG-CD1 3.45Å; D82-Y157 WeakPolarHBondContact OD2-CD1 3.14Å; W153-Y157 WeakPolarHBondContact O-CB 3.36Å; W153-Y157 PolarHBondContact O-N 3.25Å; V154-Y157 PolarHBondContact O-N 3.01Å; Y157-N159 VanDerWaalsContact C-N 3.34Å; Y157-N159 PolarHBondContact O-N 3.39Å; Y157-Y160 HydrophobicContact CD2-CD1 4.09Å; Y157-Y160 AromaticContact CE2-CD1 3.81Å; Y157-Y160 HydrophobicContact CE2-CD1 3.81Å; Y157-Y160 HydrophobicContact CE2-CE1 4.24Å; Y157-Y160 WeakPolarHBondContact O-CB 3.45Å; Y157-Y160 PolarHBondContact O-N 2.91Å; Y157-L161 HydrophobicContact CD1-CD1 3.95Å; Y157-L161 HydrophobicContact CD1-CG 4.21Å; Y157-L161 HydrophobicContact CE1-CD1 3.84Å; Y157-L161 HydrophobicContact CE1-CD2 4.1Å; Y157-L161 HydrophobicContact CE1-CG 4.01Å; Y157-L161 WeakPolarHBondContact O-CG 3.4Å; Y157-L161 PolarHBondContact O-N 3.21Å |
| 158 | N | 93.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 73 Ų | 73 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -43 | 170.6 | -80.8 | -25.7 | 0 | 0 | 0 | 112.4 | R34 V154 I155 Y160 L161 N162 F171 | R34-N158 PolarHBondContact NE-OD1 3.12Å; R34-N158 PolarHBondContact NH2-OD1 2.9Å; V154-N158 WeakPolarHBondContact O-CB 3.44Å; V154-N158 VanDerWaalsContact O-CG 3.27Å; V154-N158 PolarHBondContact O-N 3.41Å; V154-N158 PolarHBondContact O-ND2 3.25Å; I155-N158 PolarHBondContact O-N 2.87Å; N158-Y160 VanDerWaalsContact C-N 3.31Å; N158-Y160 PolarHBondContact O-N 3.08Å; N158-L161 PolarHBondContact O-N 2.89Å; N158-N162 PolarHBondContact O-N 2.89Å; N158-N162 PolarHBondContact O-ND2 3.34Å; N158-F171 WeakPolarHBondContact ND2-CB 3.33Å |
| 159 | N | 94.3 | Very high | 94.1 | Very high | 78 Ų | 78 | 72.9 Ų | 72.9 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 175.1 | -173.6 | 28.9 | 0 | 0 | 0 | 111.7 | I155 F156 Y157 N162 R163 | I155-N159 PolarHBondContact O-N 3.46Å; F156-N159 WeakPolarHBondContact O-CB 3.38Å; F156-N159 PolarHBondContact O-N 3.43Å; Y157-N159 VanDerWaalsContact C-N 3.34Å; Y157-N159 PolarHBondContact O-N 3.39Å; N159-N162 PolarHBondContact O-N 3.36Å; N159-R163 WeakPolarHBondContact O-CG 3.37Å; N159-R163 PolarHBondContact O-N 3.36Å; N159-R163 VanDerWaalsContact O-N 3.1Å |
| 160 | Y | 94.8 | Very high | 94 | Very high | 117 Ų | 117 | 70.8 Ų | 70.8 | 46% | 0.459 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 173.3 | 171.5 | -97.1 | 0 | 0 | 0 | 112.3 | F156 Y157 N158 N162 R163 K164 | F156-Y160 PolarHBondContact O-N 2.99Å; Y157-Y160 HydrophobicContact CD2-CD1 4.09Å; Y157-Y160 AromaticContact CE2-CD1 3.81Å; Y157-Y160 HydrophobicContact CE2-CD1 3.81Å; Y157-Y160 HydrophobicContact CE2-CE1 4.24Å; Y157-Y160 WeakPolarHBondContact O-CB 3.45Å; Y157-Y160 PolarHBondContact O-N 2.91Å; N158-Y160 VanDerWaalsContact C-N 3.31Å; N158-Y160 PolarHBondContact O-N 3.08Å; Y160-N162 VanDerWaalsContact C-N 3.31Å; Y160-N162 PolarHBondContact O-N 3.35Å; Y160-R163 PolarHBondContact O-N 3.31Å; Y160-K164 HydrophobicContact CE1-CD 4.05Å; Y160-K164 WeakPolarHBondContact O-CB 3.45Å; Y160-K164 PolarHBondContact O-N 3.35Å |
| 161 | L | 92.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 73.8 Ų | 73.8 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 177.4 | -69.8 | 173.2 | 0 | 0 | 0 | 111.7 | Y157 N158 R163 K164 Y165 F169 | Y157-L161 HydrophobicContact CD1-CD1 3.95Å; Y157-L161 HydrophobicContact CD1-CG 4.21Å; Y157-L161 HydrophobicContact CE1-CD1 3.84Å; Y157-L161 HydrophobicContact CE1-CD2 4.1Å; Y157-L161 HydrophobicContact CE1-CG 4.01Å; Y157-L161 WeakPolarHBondContact O-CG 3.4Å; Y157-L161 PolarHBondContact O-N 3.21Å; N158-L161 PolarHBondContact O-N 2.89Å; L161-R163 VanDerWaalsContact C-N 3.31Å; L161-R163 PolarHBondContact O-N 3Å; L161-K164 PolarHBondContact O-N 3.39Å; L161-Y165 HydrophobicContact CD2-CD2 4.17Å; L161-Y165 HydrophobicContact CD2-CE2 3.76Å; L161-Y165 WeakPolarHBondContact O-CD2 3.46Å; L161-Y165 PolarHBondContact O-N 2.87Å; L161-F169 HydrophobicContact CB-CD2 3.74Å; L161-F169 HydrophobicContact CB-CE2 4.06Å; L161-F169 HydrophobicContact CB-CG 4.3Å; L161-F169 HydrophobicContact CD1-CG 4.5Å |
| 162 | N | 94.6 | Very high | 93.6 | Very high | 37 Ų | 37 | 75.4 Ų | 75.4 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.8 | -32.9 | 177.9 | -76.9 | -23.1 | 0 | 0 | 0 | 113.5 | N158 N159 Y160 E166 P167 V168 F169 | N158-N162 PolarHBondContact O-N 2.89Å; N158-N162 PolarHBondContact O-ND2 3.34Å; N159-N162 PolarHBondContact O-N 3.36Å; Y160-N162 VanDerWaalsContact C-N 3.31Å; Y160-N162 PolarHBondContact O-N 3.35Å; N162-E166 WeakPolarHBondContact CA-O 3.4Å; N162-E166 CarbonylContact O-C 3.57Å; N162-E166 PolarHBondContact OD1-O 3.43Å; N162-P167 WeakPolarHBondContact OD1-CA 3.46Å; N162-V168 PolarHBondContact OD1-N 3.2Å; N162-F169 PolarHBondContact ND2-O 3.46Å; N162-F169 WeakPolarHBondContact OD1-CA 3.49Å; N162-F169 WeakPolarHBondContact OD1-CB 3.27Å; N162-F169 PolarHBondContact OD1-N 3.46Å; N162-F169 PolarHBondContact OD1-O 3.13Å |
| 163 | R | 95.3 | Very high | 93.5 | Very high | 199 Ų | 199 | 76 Ų | 76 | 75% | 0.751 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -74.7 | -32.6 | 174.3 | -72.1 | 178.2 | -179.9 | -166.5 | -3.2 | 112.9 | N159 Y160 L161 | N159-R163 WeakPolarHBondContact O-CG 3.37Å; N159-R163 PolarHBondContact O-N 3.36Å; N159-R163 VanDerWaalsContact O-N 3.1Å; Y160-R163 PolarHBondContact O-N 3.31Å; L161-R163 VanDerWaalsContact C-N 3.31Å; L161-R163 PolarHBondContact O-N 3Å |
| 164 | K | 94.6 | Very high | 93.5 | Very high | 116 Ų | 116 | 71 Ų | 71 | 50% | 0.504 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -81 | -38.6 | -176.7 | -177.6 | 174.6 | -178.5 | 179 | 0 | 112.8 | Y160 L161 | Y160-K164 HydrophobicContact CE1-CD 4.05Å; Y160-K164 WeakPolarHBondContact O-CB 3.45Å; Y160-K164 PolarHBondContact O-N 3.35Å; L161-K164 PolarHBondContact O-N 3.39Å |
| 165 | Y | 89.5 | Confident | 93.6 | Very high | 140 Ų | 140 | 71 Ų | 71 | 55% | 0.549 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -107.8 | -94.6 | -176.8 | -58 | -67.1 | 0 | 0 | 0 | 109.4 | L161 F169 | L161-Y165 HydrophobicContact CD2-CD2 4.17Å; L161-Y165 HydrophobicContact CD2-CE2 3.76Å; L161-Y165 WeakPolarHBondContact O-CD2 3.46Å; L161-Y165 PolarHBondContact O-N 2.87Å; Y165-F169 HydrophobicContact CD2-CE2 4.17Å |
| 166 | E | 88.3 | Confident | 93.7 | Very high | 134 Ų | 134 | 74.1 Ų | 74.1 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | trans | -150.4 | 161.8 | 174.9 | -77.4 | -170.2 | 169.5 | 0 | 0 | 107.9 | N162 V168 | N162-E166 WeakPolarHBondContact CA-O 3.4Å; N162-E166 CarbonylContact O-C 3.57Å; N162-E166 PolarHBondContact OD1-O 3.43Å; E166-V168 HydrophobicContact CB-CG1 4.07Å; E166-V168 PolarHBondContact O-N 2.88Å | ||
| 167 | P | 88.9 | Confident | 93.8 | Very high | 116 Ų | 116 | 69.6 Ų | 69.6 | 75% | 0.753 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 56.5 | -178.9 | 32.5 | -37.5 | 0 | 0 | 0 | 113 | N162 | N162-P167 WeakPolarHBondContact OD1-CA 3.46Š|
| 168 | V | 92.3 | Very high | 93.9 | Very high | 32 Ų | 32 | 66.6 Ų | 66.6 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -13.5 | -177.6 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | M36 R37 N162 E166 | M36-V168 WeakPolarHBondContact CA-O 3.15Å; M36-V168 HydrophobicContact CE-CG2 3.9Å; M36-V168 HydrophobicContact CG-CG2 4.21Å; R37-V168 PolarHBondContact N-O 2.89Å; N162-V168 PolarHBondContact OD1-N 3.2Å; E166-V168 HydrophobicContact CB-CG1 4.07Å; E166-V168 PolarHBondContact O-N 2.88Å |
| 169 | F | 93.1 | Very high | 94.2 | Very high | 32 Ų | 32 | 68.9 Ų | 68.9 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.4 | -179.2 | -58 | -80.3 | 0 | 0 | 0 | 111.7 | R34 Q35 M36 L161 N162 Y165 | R34-F169 HydrophobicContact CG-CD1 4.34Å; Q35-F169 WeakPolarHBondContact O-CA 3.5Å; M36-F169 HydrophobicContact CB-CD1 4.1Å; M36-F169 HydrophobicContact CB-CE1 4.16Å; M36-F169 HydrophobicContact CE-CE1 4.33Å; M36-F169 HydrophobicContact CE-CZ 4.13Å; M36-F169 HydrophobicContact CG-CD1 4.17Å; M36-F169 HydrophobicContact CG-CE1 3.94Å; M36-F169 HydrophobicContact SD-CE1 3.86Å; M36-F169 HydrophobicContact SD-CZ 4.24Å; L161-F169 HydrophobicContact CB-CD2 3.74Å; L161-F169 HydrophobicContact CB-CE2 4.06Å; L161-F169 HydrophobicContact CB-CG 4.3Å; L161-F169 HydrophobicContact CD1-CG 4.5Å; N162-F169 PolarHBondContact ND2-O 3.46Å; N162-F169 WeakPolarHBondContact OD1-CA 3.49Å; N162-F169 WeakPolarHBondContact OD1-CB 3.27Å; N162-F169 PolarHBondContact OD1-N 3.46Å; N162-F169 PolarHBondContact OD1-O 3.13Å; Y165-F169 HydrophobicContact CD2-CE2 4.17Å |
| 170 | S | 93.3 | Very high | 94.3 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 32% | 0.315 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 154.1 | 169.5 | 50.6 | 0 | 0 | 0 | 0 | 110.4 | R34 Q35 | R34-S170 CarbonylContact C-O 3.42Å; R34-S170 WeakPolarHBondContact CA-O 3.28Å; Q35-S170 WeakPolarHBondContact CB-OG 3.39Å; Q35-S170 PolarHBondContact N-O 3.08Å; Q35-S170 PolarHBondContact O-N 2.87Å; Q35-S170 PolarHBondContact OE1-OG 2.71Å |
| 171 | F | 93.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 63.3 Ų | 63.3 | 32% | 0.316 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 160.9 | 164.1 | 50.4 | -87.5 | 0 | 0 | 0 | 109.8 | I155 N158 V175 F176 | I155-F171 HydrophobicContact CG1-CD1 4.42Å; I155-F171 HydrophobicContact CG2-CD1 4.36Å; I155-F171 HydrophobicContact CG2-CE1 3.88Å; I155-F171 HydrophobicContact CG2-CZ 4.32Å; N158-F171 WeakPolarHBondContact ND2-CB 3.33Å; F171-V175 HydrophobicContact CB-CB 4.41Å; F171-V175 HydrophobicContact CB-CG2 3.88Å; F171-F176 HydrophobicContact CD2-CE2 4.12Å; F171-F176 HydrophobicContact CD2-CZ 4.04Å; F171-F176 HydrophobicContact CE2-CE1 4.09Å; F171-F176 HydrophobicContact CE2-CE2 4.05Å; F171-F176 AromaticContact CE2-CZ 3.51Å; F171-F176 HydrophobicContact CE2-CZ 3.51Å |
| 172 | D | 92.5 | Very high | 94.8 | Very high | 33 Ų | 33 | 63 Ų | 63 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | trans | -136 | -172.5 | -174.7 | -170.3 | 15.6 | 0 | 0 | 0 | 111.3 | N32 Q35 S174 V175 | N32-D172 HydrophobicContact CB-CB 4.16Å; N32-D172 WeakPolarHBondContact CB-OD2 3.47Å; N32-D172 PolarHBondContact ND2-OD2 3.45Å; N32-D172 CarbonylContact O-C 3.51Å; N32-D172 VanDerWaalsContact O-C 3.28Å; N32-D172 VanDerWaalsContact O-CB 3.31Å; N32-D172 WeakPolarHBondContact O-CB 3.42Å; Q35-D172 HydrophobicContact CG-CB 3.89Å; Q35-D172 PolarHBondContact NE2-OD1 3.31Å; Q35-D172 PolarHBondContact NE2-OD2 3.47Å; D172-S174 PolarHBondContact O-N 2.88Å; D172-V175 PolarHBondContact O-N 2.93Å | ||
| 173 | I | 94.5 | Very high | 94.9 | Very high | 79 Ų | 79 | 63.2 Ų | 63.2 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -51.7 | -32.5 | -165.2 | -165.6 | 63.5 | 0 | 0 | 0 | 115 | N32 V175 F176 I177 | N32-I173 HydrophobicContact CB-CG2 3.71Å; I173-V175 PolarHBondContact O-N 3.49Å; I173-F176 PolarHBondContact O-N 2.95Å; I173-I177 HydrophobicContact CG1-CD1 3.86Å; I173-I177 HydrophobicContact CG1-CG1 4.18Å; I173-I177 WeakPolarHBondContact O-CG1 3.38Å; I173-I177 PolarHBondContact O-N 3.38Å |
| 174 | S | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -34.4 | -179.1 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | L30 N32 D172 I177 A178 | L30-S174 VanDerWaalsContact CB-OG 3.25Å; L30-S174 WeakPolarHBondContact CB-OG 3.45Å; L30-S174 PolarHBondContact O-OG 3.48Å; N32-S174 VanDerWaalsContact C-OG 3.31Å; N32-S174 VanDerWaalsContact O-CB 3.23Å; N32-S174 WeakPolarHBondContact O-CB 3.5Å; N32-S174 PolarHBondContact O-N 2.7Å; N32-S174 VanDerWaalsContact O-N 3.14Å; N32-S174 PolarHBondContact O-OG 3.3Å; D172-S174 PolarHBondContact O-N 2.88Å; S174-I177 PolarHBondContact O-N 3.42Å; S174-A178 WeakPolarHBondContact O-CB 3.27Å; S174-A178 PolarHBondContact O-N 2.91Å |
| 175 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 178 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | W33 V154 I155 F171 D172 I173 A178 I179 | W33-V175 HydrophobicContact CD2-CG2 4.49Å; W33-V175 HydrophobicContact CE3-CG2 3.59Å; W33-V175 HydrophobicContact CZ3-CG2 3.88Å; V154-V175 HydrophobicContact CG1-CG2 4.04Å; I155-V175 HydrophobicContact CD1-CG1 3.98Å; I155-V175 HydrophobicContact CG1-CG1 3.85Å; F171-V175 HydrophobicContact CB-CB 4.41Å; F171-V175 HydrophobicContact CB-CG2 3.88Å; D172-V175 PolarHBondContact O-N 2.93Å; I173-V175 PolarHBondContact O-N 3.49Å; V175-A178 PolarHBondContact O-N 3.42Å; V175-I179 HydrophobicContact CG1-CD1 3.85Å; V175-I179 WeakPolarHBondContact O-CG1 3.39Å; V175-I179 PolarHBondContact O-N 3.43Å |
| 176 | F | 97.4 | Very high | 95.7 | Very high | 117 Ų | 117 | 47 Ų | 47 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 178.8 | -63.5 | -67.9 | 0 | 0 | 0 | 112 | F171 I173 A178 I179 A180 | F171-F176 HydrophobicContact CD2-CE2 4.12Å; F171-F176 HydrophobicContact CD2-CZ 4.04Å; F171-F176 HydrophobicContact CE2-CE1 4.09Å; F171-F176 HydrophobicContact CE2-CE2 4.05Å; F171-F176 AromaticContact CE2-CZ 3.51Å; F171-F176 HydrophobicContact CE2-CZ 3.51Å; I173-F176 PolarHBondContact O-N 2.95Å; F176-A178 VanDerWaalsContact C-N 3.33Å; F176-A178 PolarHBondContact O-N 3.17Å; F176-I179 PolarHBondContact O-N 3.34Å; F176-A180 WeakPolarHBondContact O-CB 3.37Å; F176-A180 PolarHBondContact O-N 3.19Å |
| 177 | I | 98.1 | Very high | 96.2 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.8 | -65.8 | 169.9 | 0 | 0 | 0 | 110.2 | G23 A27 L30 I173 S174 A180 S181 | G23-I177 WeakPolarHBondContact O-CG2 3.36Å; A27-I177 HydrophobicContact CB-CB 4.36Å; A27-I177 HydrophobicContact CB-CG2 4.05Å; L30-I177 HydrophobicContact CD1-CD1 3.79Å; I173-I177 HydrophobicContact CG1-CD1 3.86Å; I173-I177 HydrophobicContact CG1-CG1 4.18Å; I173-I177 WeakPolarHBondContact O-CG1 3.38Å; I173-I177 PolarHBondContact O-N 3.38Å; S174-I177 PolarHBondContact O-N 3.42Å; I177-A180 PolarHBondContact O-N 3.27Å; I177-S181 VanDerWaalsContact O-CB 3.26Å; I177-S181 WeakPolarHBondContact O-CB 3.43Å; I177-S181 PolarHBondContact O-N 3.12Å; I177-S181 PolarHBondContact O-OG 3.43Å |
| 178 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -45.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A27 W33 L90 S174 V175 F176 S181 A182 | A27-A178 HydrophobicContact CB-CB 3.99Å; W33-A178 HydrophobicContact CH2-CB 3.49Å; W33-A178 VanDerWaalsContact CH2-CB 3.49Å; W33-A178 HydrophobicContact CZ2-CB 4.03Å; W33-A178 HydrophobicContact CZ3-CB 4.45Å; L90-A178 HydrophobicContact CD2-CB 4.47Å; S174-A178 WeakPolarHBondContact O-CB 3.27Å; S174-A178 PolarHBondContact O-N 2.91Å; V175-A178 PolarHBondContact O-N 3.42Å; F176-A178 VanDerWaalsContact C-N 3.33Å; F176-A178 PolarHBondContact O-N 3.17Å; A178-S181 PolarHBondContact O-N 3.05Å; A178-A182 WeakPolarHBondContact O-CB 3.24Å; A178-A182 PolarHBondContact O-N 2.89Å |
| 179 | I | 98.2 | Very high | 96.8 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 177.9 | -67.2 | 171.4 | 0 | 0 | 0 | 111.2 | I152 I155 V175 F176 S181 A182 G183 | I152-I179 HydrophobicContact CG1-CD1 4.16Å; I152-I179 HydrophobicContact CG1-CG1 4.42Å; I155-I179 HydrophobicContact CD1-CD1 3.8Å; V175-I179 HydrophobicContact CG1-CD1 3.85Å; V175-I179 WeakPolarHBondContact O-CG1 3.39Å; V175-I179 PolarHBondContact O-N 3.43Å; F176-I179 PolarHBondContact O-N 3.34Å; I179-S181 VanDerWaalsContact C-N 3.33Å; I179-S181 PolarHBondContact O-N 2.87Å; I179-A182 PolarHBondContact O-N 3.24Å; I179-G183 PolarHBondContact O-N 3.36Å |
| 180 | A | 98.3 | Very high | 97 | Very high | 69 Ų | 69 | 39.1 Ų | 39.1 | 57% | 0.57 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.5 | -41.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F176 I177 G183 G184 | F176-A180 WeakPolarHBondContact O-CB 3.37Å; F176-A180 PolarHBondContact O-N 3.19Å; I177-A180 PolarHBondContact O-N 3.27Å; A180-G183 PolarHBondContact O-N 3.01Å; A180-G184 PolarHBondContact O-N 3.43Å |
| 181 | S | 98.4 | Very high | 97 | Very high | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 175.8 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | S20 G23 L24 I177 A178 I179 G183 G184 L185 | S20-S181 WeakPolarHBondContact CB-O 3.33Å; S20-S181 WeakPolarHBondContact O-CB 3.19Å; G23-S181 VanDerWaalsContact C-OG 3.26Å; G23-S181 VanDerWaalsContact CA-OG 3.31Å; G23-S181 WeakPolarHBondContact CA-OG 3.21Å; L24-S181 PolarHBondContact N-OG 3.3Å; I177-S181 VanDerWaalsContact O-CB 3.26Å; I177-S181 WeakPolarHBondContact O-CB 3.43Å; I177-S181 PolarHBondContact O-N 3.12Å; I177-S181 PolarHBondContact O-OG 3.43Å; A178-S181 PolarHBondContact O-N 3.05Å; I179-S181 VanDerWaalsContact C-N 3.33Å; I179-S181 PolarHBondContact O-N 2.87Å; S181-G183 VanDerWaalsContact C-N 3.33Å; S181-G183 PolarHBondContact O-N 3.17Å; S181-G184 PolarHBondContact O-N 2.87Å; S181-G184 VanDerWaalsContact O-N 3.14Å; S181-L185 WeakPolarHBondContact O-CG 3.16Å; S181-L185 PolarHBondContact O-N 3.5Å |
| 182 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C144 V148 A178 I179 G184 L185 F186 | C144-A182 PolarHBondContact SG-O 3.27Å; C144-A182 VanDerWaalsContact SG-O 3.34Å; V148-A182 HydrophobicContact CB-CB 3.86Å; V148-A182 HydrophobicContact CG2-CB 4.09Å; A178-A182 WeakPolarHBondContact O-CB 3.24Å; A178-A182 PolarHBondContact O-N 2.89Å; I179-A182 PolarHBondContact O-N 3.24Å; A182-G184 VanDerWaalsContact C-N 3.31Å; A182-G184 PolarHBondContact O-N 3.09Å; A182-L185 WeakPolarHBondContact O-CB 3.38Å; A182-L185 PolarHBondContact O-N 3.48Å; A182-F186 PolarHBondContact O-N 3.33Å |
| 183 | G | 98.3 | Very high | 97 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 42% | 0.423 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.2 | -39.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I179 A180 S181 F186 F187 | I179-G183 PolarHBondContact O-N 3.36Å; A180-G183 PolarHBondContact O-N 3.01Å; S181-G183 VanDerWaalsContact C-N 3.33Å; S181-G183 PolarHBondContact O-N 3.17Å; G183-F186 PolarHBondContact O-N 2.86Å; G183-F187 WeakPolarHBondContact O-CB 3.36Å; G183-F187 PolarHBondContact O-N 3.49Å |
| 184 | G | 98.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S20 A180 S181 A182 F187 T188 | S20-G184 VanDerWaalsContact OG-CA 3.27Å; S20-G184 WeakPolarHBondContact OG-CA 3.29Å; A180-G184 PolarHBondContact O-N 3.43Å; S181-G184 PolarHBondContact O-N 2.87Å; S181-G184 VanDerWaalsContact O-N 3.14Å; A182-G184 VanDerWaalsContact C-N 3.31Å; A182-G184 PolarHBondContact O-N 3.09Å; G184-F187 PolarHBondContact O-N 2.91Å; G184-T188 WeakPolarHBondContact O-CB 3.36Å; G184-T188 PolarHBondContact O-N 3.38Å; G184-T188 PolarHBondContact O-OG1 3.05Å |
| 185 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -42.7 | 172.6 | -63.3 | 174.2 | 0 | 0 | 0 | 111.5 | S20 L24 A97 F140 A143 C144 S181 A182 T188 S189 | S20-L185 PolarHBondContact OG-N 3.31Å; L24-L185 HydrophobicContact CD1-CD1 3.78Å; A97-L185 HydrophobicContact CB-CD2 3.82Å; F140-L185 HydrophobicContact CD1-CD2 3.67Å; F140-L185 HydrophobicContact CE1-CD2 4.04Å; A143-L185 HydrophobicContact CB-CD1 3.91Å; C144-L185 HydrophobicContact CB-CB 4.06Å; S181-L185 WeakPolarHBondContact O-CG 3.16Å; S181-L185 PolarHBondContact O-N 3.5Å; A182-L185 WeakPolarHBondContact O-CB 3.38Å; A182-L185 PolarHBondContact O-N 3.48Å; L185-T188 WeakPolarHBondContact O-CB 3.45Å; L185-T188 PolarHBondContact O-N 2.04Å; L185-S189 PolarHBondContact O-N 2.78Å |
| 186 | F | 98.5 | Very high | 95.8 | Very high | 99 Ų | 99 | 40.5 Ų | 40.5 | 43% | 0.434 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.8 | -176.5 | -115.5 | 0 | 0 | 0 | 112.1 | L141 C144 A182 G183 T188 S189 I190 | L141-F186 HydrophobicContact CD1-CD2 3.65Å; L141-F186 HydrophobicContact CD1-CE2 3.8Å; C144-F186 HydrophobicContact CB-CB 4.45Å; A182-F186 PolarHBondContact O-N 3.33Å; G183-F186 PolarHBondContact O-N 2.86Å; F186-T188 VanDerWaalsContact C-N 3.32Å; F186-T188 PolarHBondContact O-N 3.05Å; F186-S189 WeakPolarHBondContact O-CB 3.47Å; F186-S189 PolarHBondContact O-N 3.37Å; F186-I190 HydrophobicContact CD1-CD1 3.77Å; F186-I190 HydrophobicContact CE1-CD1 3.33Å; F186-I190 HydrophobicContact CE1-CG1 4.39Å; F186-I190 HydrophobicContact CE2-CD1 4.22Å; F186-I190 HydrophobicContact CE2-CG1 4.5Å; F186-I190 HydrophobicContact CG-CD1 4.4Å; F186-I190 HydrophobicContact CZ-CD1 3.58Å; F186-I190 HydrophobicContact CZ-CG1 4.29Å; F186-I190 WeakPolarHBondContact O-CG1 3.35Å; F186-I190 PolarHBondContact O-N 3.43Å |
| 187 | F | 97.8 | Very high | 95.1 | Very high | 87 Ų | 87 | 39 Ų | 39 | 38% | 0.382 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 175 | 174.9 | -99.7 | 0 | 0 | 0 | 111.8 | G183 G184 S189 I190 M191 | G183-F187 WeakPolarHBondContact O-CB 3.36Å; G183-F187 PolarHBondContact O-N 3.49Å; G184-F187 PolarHBondContact O-N 2.91Å; F187-S189 VanDerWaalsContact C-N 3.32Å; F187-S189 PolarHBondContact O-N 2.91Å; F187-I190 PolarHBondContact O-N 3.44Å; F187-M191 HydrophobicContact CD1-CG 4.36Å; F187-M191 HydrophobicContact CE1-CG 3.87Å; F187-M191 HydrophobicContact CE2-CE 4.05Å; F187-M191 HydrophobicContact CE2-CG 4.2Å; F187-M191 HydrophobicContact CZ-CE 4.26Å; F187-M191 HydrophobicContact CZ-CG 3.78Å; F187-M191 HydrophobicContact CZ-SD 4.13Å; F187-M191 WeakPolarHBondContact O-CG 3.15Å; F187-M191 PolarHBondContact O-N 3.4Å |
| 188 | T | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 175.8 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | A13 S16 G17 F140 G184 L185 F186 M191 L192 | A13-T188 HydrophobicContact CB-CG2 4.06Å; A13-T188 WeakPolarHBondContact O-CG2 3.22Å; S16-T188 PolarHBondContact OG-OG1 2.93Å; S16-T188 VanDerWaalsContact OG-OG1 3.13Å; G17-T188 PolarHBondContact N-OG1 3.5Å; F140-T188 HydrophobicContact CD1-CG2 4.41Å; F140-T188 HydrophobicContact CD2-CG2 3.57Å; F140-T188 HydrophobicContact CE1-CG2 4.39Å; F140-T188 HydrophobicContact CE2-CG2 3.55Å; F140-T188 HydrophobicContact CG-CG2 4.02Å; F140-T188 HydrophobicContact CZ-CG2 3.98Å; G184-T188 WeakPolarHBondContact O-CB 3.36Å; G184-T188 PolarHBondContact O-N 3.38Å; G184-T188 PolarHBondContact O-OG1 3.05Å; L185-T188 WeakPolarHBondContact O-CB 3.45Å; L185-T188 PolarHBondContact O-N 2.04Å; F186-T188 VanDerWaalsContact C-N 3.32Å; F186-T188 PolarHBondContact O-N 3.05Å; T188-M191 PolarHBondContact O-N 3.16Å; T188-L192 HydrophobicContact CG2-CD1 4.3Å; T188-L192 WeakPolarHBondContact O-CG 3.48Å; T188-L192 PolarHBondContact O-N 2.96Å; T188-L192 VanDerWaalsContact O-N 3.13Å |
| 189 | S | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 177 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | G137 L141 L185 F186 F187 M191 L192 F193 | G137-S189 WeakPolarHBondContact O-CB 3.24Å; G137-S189 PolarHBondContact O-OG 3.33Å; L141-S189 WeakPolarHBondContact CB-OG 3.36Å; L185-S189 PolarHBondContact O-N 2.78Å; F186-S189 WeakPolarHBondContact O-CB 3.47Å; F186-S189 PolarHBondContact O-N 3.37Å; F187-S189 VanDerWaalsContact C-N 3.32Å; F187-S189 PolarHBondContact O-N 2.91Å; S189-M191 PolarHBondContact O-N 2.86Å; S189-L192 PolarHBondContact O-N 3.28Å; S189-F193 WeakPolarHBondContact O-CD2 3.46Å; S189-F193 WeakPolarHBondContact O-CG 3.48Å; S189-F193 PolarHBondContact O-N 3.19Å; S189-F193 WeakPolarHBondContact OG-CE2 3Å; S189-F193 WeakPolarHBondContact OG-CZ 3.21Å |
| 190 | I | 96.9 | Very high | 91.4 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 177.3 | -69.9 | 169.5 | 0 | 0 | 0 | 111.1 | F186 F187 L192 F193 L194 | F186-I190 HydrophobicContact CD1-CD1 3.77Å; F186-I190 HydrophobicContact CE1-CD1 3.33Å; F186-I190 HydrophobicContact CE1-CG1 4.39Å; F186-I190 HydrophobicContact CE2-CD1 4.22Å; F186-I190 HydrophobicContact CE2-CG1 4.5Å; F186-I190 HydrophobicContact CG-CD1 4.4Å; F186-I190 HydrophobicContact CZ-CD1 3.58Å; F186-I190 HydrophobicContact CZ-CG1 4.29Å; F186-I190 WeakPolarHBondContact O-CG1 3.35Å; F186-I190 PolarHBondContact O-N 3.43Å; F187-I190 PolarHBondContact O-N 3.44Å; I190-L192 VanDerWaalsContact C-N 3.28Å; I190-L192 PolarHBondContact O-N 3.28Å; I190-F193 PolarHBondContact O-N 3.2Å; I190-L194 HydrophobicContact CG2-CD1 3.73Å; I190-L194 HydrophobicContact CG2-CG 4.06Å; I190-L194 WeakPolarHBondContact O-CB 3.5Å; I190-L194 WeakPolarHBondContact O-CG 3.43Å; I190-L194 PolarHBondContact O-N 3.4Å |
| 191 | M | 93.6 | Very high | 89.2 | Confident | 42 Ų | 42 | 43.7 Ų | 43.7 | 21% | 0.207 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -43 | 178.5 | -76.3 | -65.9 | 108.6 | 0 | 0 | 111.8 | A13 F187 T188 S189 L194 W195 | A13-M191 HydrophobicContact CB-CB 4.16Å; F187-M191 HydrophobicContact CD1-CG 4.36Å; F187-M191 HydrophobicContact CE1-CG 3.87Å; F187-M191 HydrophobicContact CE2-CE 4.05Å; F187-M191 HydrophobicContact CE2-CG 4.2Å; F187-M191 HydrophobicContact CZ-CE 4.26Å; F187-M191 HydrophobicContact CZ-CG 3.78Å; F187-M191 HydrophobicContact CZ-SD 4.13Å; F187-M191 WeakPolarHBondContact O-CG 3.15Å; F187-M191 PolarHBondContact O-N 3.4Å; T188-M191 PolarHBondContact O-N 3.16Å; S189-M191 PolarHBondContact O-N 2.86Å; M191-L194 HydrophobicContact CE-CD1 3.85Å; M191-W195 WeakPolarHBondContact O-CB 3.39Å; M191-W195 PolarHBondContact O-N 2.91Å |
| 192 | L | 92.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.6 | -36.9 | 178.2 | -66.4 | 171.8 | 0 | 0 | 0 | 112.7 | A13 C104 H133 A136 F140 T188 S189 I190 Y196 | A13-L192 HydrophobicContact CB-CD2 3.79Å; A13-L192 HydrophobicContact CB-CG 3.94Å; C104-L192 VanDerWaalsContact SG-CD1 3.56Å; H133-L192 HydrophobicContact CB-CD2 4.14Å; A136-L192 HydrophobicContact CB-CD1 4.13Å; F140-L192 HydrophobicContact CD2-CD1 3.76Å; F140-L192 HydrophobicContact CE2-CD1 3.94Å; T188-L192 HydrophobicContact CG2-CD1 4.3Å; T188-L192 WeakPolarHBondContact O-CG 3.48Å; T188-L192 PolarHBondContact O-N 2.96Å; T188-L192 VanDerWaalsContact O-N 3.13Å; S189-L192 PolarHBondContact O-N 3.28Å; I190-L192 VanDerWaalsContact C-N 3.28Å; I190-L192 PolarHBondContact O-N 3.28Å; L192-Y196 WeakPolarHBondContact O-CB 3.3Å; L192-Y196 PolarHBondContact O-N 3.25Å |
| 193 | F | 92.7 | Very high | 84.2 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.4 | -44.4 | 174.8 | -63.7 | -28.8 | 0 | 0 | 0 | 112.5 | L134 G137 L138 L141 S189 I190 W195 Y196 C197 | L134-F193 HydrophobicContact CD1-CD1 4.05Å; L134-F193 HydrophobicContact CD1-CE1 4.14Å; G137-F193 VanDerWaalsContact C-CZ 3.5Å; L138-F193 HydrophobicContact CD2-CE1 4.22Å; L138-F193 HydrophobicContact CD2-CZ 3.91Å; L138-F193 HydrophobicContact CG-CE1 4.14Å; L138-F193 HydrophobicContact CG-CZ 4.22Å; L141-F193 HydrophobicContact CD2-CE2 4.28Å; S189-F193 WeakPolarHBondContact O-CD2 3.46Å; S189-F193 WeakPolarHBondContact O-CG 3.48Å; S189-F193 PolarHBondContact O-N 3.19Å; S189-F193 WeakPolarHBondContact OG-CE2 3Å; S189-F193 WeakPolarHBondContact OG-CZ 3.21Å; I190-F193 PolarHBondContact O-N 3.2Å; F193-W195 VanDerWaalsContact C-N 3.3Å; F193-W195 PolarHBondContact O-N 3.43Å; F193-Y196 PolarHBondContact O-N 2.92Å; F193-C197 PolarHBondContact O-N 2.81Å; F193-C197 PolarHBondContact O-SG 3.19Å; F193-C197 VanDerWaalsContact O-SG 3.33Å |
| 194 | L | 89.9 | Confident | 81.6 | Confident | 101 Ų | 101 | 57.6 Ų | 57.6 | 53% | 0.529 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175 | -70.5 | 177.3 | 0 | 0 | 0 | 110.9 | I190 M191 C197 A198 | I190-L194 HydrophobicContact CG2-CD1 3.73Å; I190-L194 HydrophobicContact CG2-CG 4.06Å; I190-L194 WeakPolarHBondContact O-CB 3.5Å; I190-L194 WeakPolarHBondContact O-CG 3.43Å; I190-L194 PolarHBondContact O-N 3.4Å; M191-L194 HydrophobicContact CE-CD1 3.85Å; L194-C197 PolarHBondContact O-N 2.87Å; L194-A198 WeakPolarHBondContact O-CB 3.27Å; L194-A198 PolarHBondContact O-N 2.83Å |
| 195 | W | 86.6 | Confident | 79.2 | Confident | 14 Ų | 14 | 62 Ų | 62 | 5% | 0.053 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 173.8 | 178.7 | 93.8 | 0 | 0 | 0 | 111.7 | V6 T10 A130 H133 M191 F193 C197 A198 C199 | V6-W195 HydrophobicContact CG1-CG 4.16Å; V6-W195 VanDerWaalsContact O-CD1 3.22Å; V6-W195 PolarHBondContact O-NE1 2.85Å; T10-W195 HydrophobicContact CG2-CD2 3.78Å; T10-W195 HydrophobicContact CG2-CE3 4.45Å; T10-W195 HydrophobicContact CG2-CG 3.93Å; T10-W195 HydrophobicContact CG2-CZ2 4.06Å; A130-W195 HydrophobicContact CB-CH2 4.29Å; A130-W195 HydrophobicContact CB-CZ3 4.17Å; H133-W195 HydrophobicContact CB-CE3 3.89Å; H133-W195 HydrophobicContact CB-CH2 4.43Å; H133-W195 HydrophobicContact CB-CZ3 3.6Å; H133-W195 AromaticContact CD2-CH2 3.57Å; H133-W195 AromaticContact CD2-CZ3 3.64Å; H133-W195 AromaticContact CG-CZ3 3.88Å; M191-W195 WeakPolarHBondContact O-CB 3.39Å; M191-W195 PolarHBondContact O-N 2.91Å; F193-W195 VanDerWaalsContact C-N 3.3Å; F193-W195 PolarHBondContact O-N 3.43Å; W195-C197 PolarHBondContact O-N 3Å; W195-A198 PolarHBondContact O-N 3.27Å; W195-C199 WeakPolarHBondContact O-CB 3.42Å; W195-C199 PolarHBondContact O-N 3.25Å |
| 196 | Y | 85.7 | Confident | 76.9 | Confident | 47 Ų | 47 | 67.8 Ų | 67.8 | 18% | 0.184 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 177.6 | 178.2 | -96 | 0 | 0 | 0 | 111.9 | A130 L134 L192 F193 C199 K200 F206 | A130-Y196 HydrophobicContact CB-CD2 4.13Å; A130-Y196 HydrophobicContact CB-CE2 4.17Å; A130-Y196 WeakPolarHBondContact O-CD2 3.36Å; L134-Y196 HydrophobicContact CB-CD2 3.95Å; L134-Y196 HydrophobicContact CB-CE2 4.16Å; L134-Y196 HydrophobicContact CB-CG 4.39Å; L134-Y196 HydrophobicContact CD1-CD1 4.14Å; L134-Y196 HydrophobicContact CD1-CE1 4.41Å; L134-Y196 HydrophobicContact CD1-CG 4.21Å; L134-Y196 HydrophobicContact CD2-CD2 4.5Å; L134-Y196 HydrophobicContact CD2-CE1 4.27Å; L134-Y196 HydrophobicContact CD2-CE2 4.02Å; L192-Y196 WeakPolarHBondContact O-CB 3.3Å; L192-Y196 PolarHBondContact O-N 3.25Å; F193-Y196 PolarHBondContact O-N 2.92Å; Y196-C199 PolarHBondContact O-N 3.25Å; Y196-K200 PolarHBondContact O-N 2.83Å; Y196-K200 VanDerWaalsContact O-N 3.08Å; Y196-F206 WeakPolarHBondContact OH-CZ 3.41Å |
| 197 | C | 83.3 | Confident | 74.3 | Confident | 85 Ų | 85 | 73.9 Ų | 73.9 | 57% | 0.574 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 177.7 | -70.1 | 0 | 0 | 0 | 0 | 112.5 | F193 L194 W195 C199 K200 | F193-C197 PolarHBondContact O-N 2.81Å; F193-C197 PolarHBondContact O-SG 3.19Å; F193-C197 VanDerWaalsContact O-SG 3.33Å; L194-C197 PolarHBondContact O-N 2.87Å; W195-C197 PolarHBondContact O-N 3Å; C197-C199 VanDerWaalsContact C-N 3.27Å; C197-C199 PolarHBondContact O-N 3.4Å; C197-K200 PolarHBondContact O-N 2.8Å |
| 198 | A | 79.1 | Confident | 71.5 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 65% | 0.645 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.6 | -33.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L194 W195 | L194-A198 WeakPolarHBondContact O-CB 3.27Å; L194-A198 PolarHBondContact O-N 2.83Å; W195-A198 PolarHBondContact O-N 3.27Å |
| 199 | C | 72.3 | Confident | 68.7 | Low | 31 Ų | 31 | 82.6 Ų | 82.6 | 21% | 0.209 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -75.5 | -24.9 | 179.1 | -167.8 | 0 | 0 | 0 | 0 | 112.9 | C3 W195 Y196 C197 S201 | C3-C199 HydrophobicContact CB-CB 4.15Å; C3-C199 WeakPolarHBondContact CB-SG 3.43Å; C3-C199 WeakPolarHBondContact SG-CA 3.42Å; C3-C199 WeakPolarHBondContact SG-CB 3.33Å; C3-C199 CovalentContact SG-SG 2.04Å; C3-C199 PolarHBondContact SG-SG 2.93Å; W195-C199 WeakPolarHBondContact O-CB 3.42Å; W195-C199 PolarHBondContact O-N 3.25Å; Y196-C199 PolarHBondContact O-N 3.25Å; C197-C199 VanDerWaalsContact C-N 3.27Å; C197-C199 PolarHBondContact O-N 3.4Å; C199-S201 PolarHBondContact O-N 2.99Å |
| 200 | K | 64.7 | Low | 66.1 | Low | 61 Ų | 61 | 90.2 Ų | 90.2 | 27% | 0.265 | 49% | 0.492 | S | S | . | . | trans | -88.6 | 100.7 | 175.5 | -166.7 | -174 | 180 | -157.5 | 0 | 110.8 | Y196 C197 L202 F206 | Y196-K200 PolarHBondContact O-N 2.83Å; Y196-K200 VanDerWaalsContact O-N 3.08Å; C197-K200 PolarHBondContact O-N 2.8Å; K200-L202 PolarHBondContact O-N 2.87Å; K200-L202 VanDerWaalsContact O-N 3.12Å; K200-F206 HydrophobicContact CD-CE2 4.27Å | ||
| 201 | S | 53.1 | Low | 63.6 | Low | 90 Ų | 90 | 97.9 Ų | 97.9 | 63% | 0.629 | 52% | 0.519 | S | S | * | . | trans | -63.2 | 110.9 | 162.3 | -32.4 | 0 | 0 | 0 | 0 | 108.5 | C199 | C199-S201 PolarHBondContact O-N 2.99Š| ||
| 202 | L | 42.9 | Very low | 61 | Low | 145 Ų | 145 | 100.8 Ų | 100.8 | 76% | 0.759 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -71.1 | 137 | 164.4 | -79.2 | 105.7 | 0 | 0 | 0 | 108.5 | K200 | K200-L202 PolarHBondContact O-N 2.87Å; K200-L202 VanDerWaalsContact O-N 3.12Å |
| 203 | P | 49 | Very low | 58.5 | Low | 126 Ų | 126 | 109.3 Ų | 109.3 | 82% | 0.818 | 58% | 0.582 | S | S | * | * | cis | -112.4 | 133.3 | 15 | 36.1 | -22.8 | 0 | 0 | 0 | 112 | ||||
| 204 | S | 42.9 | Very low | 55.8 | Low | 71 Ų | 71 | 111 Ų | 111 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | trans | -144.5 | 138 | 156.2 | 70.2 | 0 | 0 | 0 | 0 | 110.4 | F206 | S204-F206 PolarHBondContact O-N 2.92Š| ||
| 205 | P | 47.7 | Very low | 53.3 | Low | 110 Ų | 110 | 112 Ų | 112 | 71% | 0.714 | 62% | 0.619 | S | S | * | * | trans | -69.8 | 118.8 | -170.3 | 30 | -31.5 | 0 | 0 | 0 | 107.4 | W207 | P205-W207 PolarHBondContact O-N 2.96Š| ||
| 206 | F | 51.3 | Low | 50.9 | Low | 121 Ų | 121 | 116 Ų | 116 | 53% | 0.531 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -53.3 | 131.2 | 165 | -110.6 | -116.8 | 0 | 0 | 0 | 107.9 | Y196 K200 S204 | Y196-F206 WeakPolarHBondContact OH-CZ 3.41Å; K200-F206 HydrophobicContact CD-CE2 4.27Å; S204-F206 PolarHBondContact O-N 2.92Å |
| 207 | W | 43.8 | Very low | 48.6 | Very low | 228 Ų | 228 | 122.7 Ų | 122.7 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | 87.2 | 48.4 | 167.6 | -53.3 | 103.6 | 0 | 0 | 0 | 120.4 | P205 P209 | P205-W207 PolarHBondContact O-N 2.96Å; W207-P209 WeakPolarHBondContact O-CD 2.86Å | ||
| 208 | Q | 38.1 | Very low | 46.3 | Very low | 156 Ų | 156 | 126.2 Ų | 126.2 | 73% | 0.729 | 69% | 0.692 | S | S | * | * | trans | -89.1 | 113 | 149.7 | -83.7 | -174.2 | -27.3 | 0 | 0 | 110.1 | ||||
| 209 | P | 38 | Very low | 44.1 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | trans | -59.6 | 143.6 | 163.2 | -4.6 | 19.9 | 0 | 0 | 0 | 107.7 | W207 Y211 | W207-P209 WeakPolarHBondContact O-CD 2.86Å; P209-Y211 PolarHBondContact O-N 3Å | ||
| 210 | L | 42.8 | Very low | 42.3 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -19.3 | 96.2 | 165.8 | -76.8 | 145 | 0 | 0 | 0 | 112.7 | ||
| 211 | Y | 46.1 | Very low | 40.9 | Very low | 221 Ų | 221 | 139.1 Ų | 139.1 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | 173.4 | 87.9 | 147 | -78.1 | -57.2 | 0 | 0 | 0 | 107.2 | P209 | P209-Y211 PolarHBondContact O-N 3Š| ||
| 212 | S | 37.8 | Very low | 40.2 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | -117.4 | 107.9 | 158.6 | 57.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 213 | H | 40.8 | Very low | 39.8 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | trans | -45.4 | 145 | 171.9 | -75 | -36.6 | 0 | 0 | 0 | 111.2 | ||||
| 214 | A | 36 | Very low | 39.2 | Very low | 89 Ų | 89 | 142 Ų | 142 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -54.9 | 135.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S216 | A214-S216 PolarHBondContact O-N 3Š| ||
| 215 | P | 37.6 | Very low | 38.8 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -67.7 | 108.1 | 167.5 | 28.2 | -29.2 | 0 | 0 | 0 | 106.5 | M217 | P215-M217 PolarHBondContact O-N 2.76Š| ||
| 216 | S | 36.5 | Very low | 38.3 | Very low | 98 Ų | 98 | 149.7 Ų | 149.7 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | -58.1 | 107.3 | 167.3 | 50.8 | 0 | 0 | 0 | 0 | 107.8 | A214 H218 | A214-S216 PolarHBondContact O-N 3Å; S216-H218 VanDerWaalsContact C-N 3.27Å; S216-H218 PolarHBondContact O-N 3.39Å | ||
| 217 | M | 36.5 | Very low | 37.9 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -65.4 | 90.8 | 164.9 | -82.3 | -127.3 | 167.7 | 0 | 0 | 108.4 | P215 | P215-M217 PolarHBondContact O-N 2.76Š| ||
| 218 | H | 34.6 | Very low | 37.5 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -128.4 | 114.4 | 164.4 | -80.1 | -49.6 | 0 | 0 | 0 | 110.4 | S216 | S216-H218 VanDerWaalsContact C-N 3.27Å; S216-H218 PolarHBondContact O-N 3.39Å | ||
| 219 | S | 34.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 85.8 | 89.8 | 137.8 | -50.2 | 0 | 0 | 0 | 0 | 118.1 | A221 | S219-A221 PolarHBondContact O-N 3.18Š| ||
| 220 | Y | 34.1 | Very low | 37.7 | Very low | 247 Ų | 247 | 152.3 Ų | 152.3 | 97% | 0.969 | 81% | 0.811 | S | S | * | * | trans | -75.3 | 98.4 | 139.4 | -93 | -89.1 | 0 | 0 | 0 | 108.2 | ||||
| 221 | A | 35.2 | Very low | 37.5 | Very low | 88 Ų | 88 | 152.6 Ų | 152.6 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -146.5 | 116 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | S219 | S219-A221 PolarHBondContact O-N 3.18Š| ||
| 222 | S | 37.4 | Very low | 37.4 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -64.1 | 128 | 176.7 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 223 | Q | 34.3 | Very low | 37.6 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -151.2 | 152.2 | 146.9 | -91.1 | -147.4 | -19.3 | 0 | 0 | 112.6 | ||||
| 224 | P | 38.4 | Very low | 37.6 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | trans | -100.4 | 155.1 | -155.8 | 35.7 | -26.6 | 0 | 0 | 0 | 114.6 | ||||
| 225 | Y | 33.5 | Very low | 37.9 | Very low | 230 Ų | 230 | 150.7 Ų | 150.7 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | 10.8 | 118.7 | 157.7 | -102.9 | -94.8 | 0 | 0 | 0 | 119.6 | ||||
| 226 | S | 37.3 | Very low | 38.2 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -159.5 | 112.3 | 139.7 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 227 | A | 42.8 | Very low | 38.2 | Very low | 98 Ų | 98 | 153.9 Ų | 153.9 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -79.1 | 113.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 228 | R | 36 | Very low | 38.5 | Very low | 234 Ų | 234 | 151.4 Ų | 151.4 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -150.8 | 107.3 | 157.3 | -149.3 | 170.4 | -166.7 | 177.6 | 3 | 111.2 | ||||
| 229 | S | 39.9 | Very low | 38.8 | Very low | 101 Ų | 101 | 149.5 Ų | 149.5 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -55.7 | 135.9 | 160 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 230 | R | 38.7 | Very low | 39.4 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | -175 | 134.5 | 124.6 | -100.7 | 171.2 | -170.4 | -143.4 | 2.3 | 112.1 | |||||
| 231 | L | 39.8 | Very low | 39.8 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -55.8 | 166.7 | 166.9 | -77.9 | 130.2 | 0 | 0 | 0 | 112.7 | ||||
| 232 | S | 43.2 | Very low | 40.3 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | 79 | 107.2 | 161.6 | 54.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 233 | A | 42.1 | Very low | 40.3 | Very low | 97 Ų | 97 | 149.7 Ų | 149.7 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -64.7 | 130.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 234 | I | 41.6 | Very low | 40.5 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -158.9 | 106.2 | 145.4 | -90.7 | 145 | 0 | 0 | 0 | 103.7 | I236 | I234-I236 HydrophobicContact CG2-CD1 3.94Å; I234-I236 HydrophobicContact CG2-CG1 3.69Å | ||
| 235 | E | 41.7 | Very low | 40.4 | Very low | 192 Ų | 192 | 149.2 Ų | 149.2 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -91.9 | 113.4 | 172.5 | -169.1 | 167 | -160.9 | 0 | 0 | 106.2 | ||||
| 236 | I | 43.5 | Very low | 40.8 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 69% | 0.687 | 83% | 0.828 | S | S | * | * | trans | -106.4 | 114.1 | 172.6 | -63.1 | 172.6 | 0 | 0 | 0 | 106.2 | I234 I238 | I234-I236 HydrophobicContact CG2-CD1 3.94Å; I234-I236 HydrophobicContact CG2-CG1 3.69Å; I236-I238 HydrophobicContact CG2-CG1 4.2Å | ||
| 237 | D | 38.1 | Very low | 40.9 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -80.3 | 122.2 | 177.6 | -131.4 | -13.9 | 0 | 0 | 0 | 109.6 | ||||
| 238 | I | 42 | Very low | 40.8 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 69% | 0.692 | 83% | 0.83 | S | S | * | * | trans | -127 | 115 | 171.8 | -55.5 | 176 | 0 | 0 | 0 | 107.9 | I236 V240 | I236-I238 HydrophobicContact CG2-CG1 4.2Å; I238-V240 PolarHBondContact O-N 3.49Å | ||
| 239 | P | 41.8 | Very low | 41.1 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 126.7 | 177.7 | 29 | -31.5 | 0 | 0 | 0 | 111 | ||
| 240 | V | 45.5 | Very low | 41.2 | Very low | 135 Ų | 135 | 147.3 Ų | 147.3 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 118.5 | 172.2 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | I238 T242 | I238-V240 PolarHBondContact O-N 3.49Å; V240-T242 PolarHBondContact O-N 3.5Å |
| 241 | V | 42.8 | Very low | 41.4 | Very low | 116 Ų | 116 | 141 Ų | 141 | 70% | 0.703 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 117.4 | 172 | 180 | 0 | 0 | 0 | 0 | 108.9 | ||
| 242 | T | 45.1 | Very low | 41.5 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 83% | 0.827 | S | S | * | * | trans | -80.2 | 114.6 | 171.6 | 48.4 | 0 | 0 | 0 | 0 | 110.1 | V240 | V240-T242 PolarHBondContact O-N 3.5Š| ||
| 243 | H | 38.3 | Very low | 41.3 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 83% | 0.833 | 83% | 0.829 | S | S | * | * | trans | -87.4 | 125 | 161.8 | -88.6 | -82.6 | 0 | 0 | 0 | 109.6 | ||||
| 244 | A | 38.5 | Very low | 41.3 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -81 | 137.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 245 | S | 36.5 | Very low | 41.2 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 100% | 1.343 | 84% | 0.837 | S | S | * | * | trans | -145.4 | 0 | 153.5 | 63.3 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 245 of 245 residues in 106.7 ms
(Link to these results)